A0A5K4F8S5_SCHMA Loading...

Egg protein CP391S-like protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F8S5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 121 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
1M50.4Low76.5Confident240 Ų24097.9 Ų97.9100%1.18253%0.529SS*.  0120.90-68.8164.7174.700107.5
2K60.4Low76.8Confident215 Ų21593.5 Ų93.594%0.93551%0.511SS*.  trans-83.6113.1171.8-69.5-179.5179.8-179.60106.6
3V73.8Confident76.9Confident62 Ų6297.4 Ų97.438%0.37652%0.52SS..  trans-78.3131.5174.5-179.50000106.9T7 C8 W20 C27V3-T7 HydrophobicContact CG1-CG2 4.19Å; V3-C8 HydrophobicContact CG1-CB 4.21Å; V3-W20 HydrophobicContact CB-CZ3 4.41Å; V3-W20 HydrophobicContact CG1-CZ3 4.46Å; V3-W20 WeakPolarHBondContact O-CH2 3.35Å; V3-W20 WeakPolarHBondContact O-CZ3 3.32Å; V3-C27 HydrophobicContact CG1-CB 4.07Å
4S81.3Confident76.8Confident38 Ų38101.1 Ų101.127%0.26655%0.552SS.*  trans-85.2159.4172.563.70000110.8E6 T7 C8S4-E6 VanDerWaalsContact C-N 3.28Å; S4-E6 WeakPolarHBondContact CB-OE1 3.38Å; S4-E6 PolarHBondContact O-N 3.25Å; S4-E6 WeakPolarHBondContact OG-CG 3.27Å; S4-E6 PolarHBondContact OG-OE1 2.84Å; S4-T7 WeakPolarHBondContact O-CB 3.36Å; S4-T7 PolarHBondContact O-N 3.23Å; S4-T7 VanDerWaalsContact O-N 3.09Å; S4-T7 PolarHBondContact OG-OG1 3.03Å; S4-C8 PolarHBondContact O-N 3.04Å
5N81.4Confident76.7Confident63 Ų63103 Ų10334%0.33756%0.561SS.*Hα-helixtrans-53.6-45.8178-176.515.5000111.8T7 C8 L9 W20N5-T7 VanDerWaalsContact C-N 3.28Å; N5-T7 PolarHBondContact O-N 3.48Å; N5-C8 WeakPolarHBondContact O-CB 3.21Å; N5-C8 PolarHBondContact O-N 3.39Å; N5-C8 VanDerWaalsContact O-N 3.16Å; N5-L9 WeakPolarHBondContact O-CG 3.37Å; N5-L9 PolarHBondContact O-N 3.31Å; N5-L9 WeakPolarHBondContact OD1-CD1 3.48Å; N5-W20 HydrophobicContact CB-CD2 3.87Å; N5-W20 HydrophobicContact CB-CG 3.83Å; N5-W20 WeakPolarHBondContact OD1-CB 3.32Å; N5-W20 VanDerWaalsContact OD1-CG 3.24Å
6E81.1Confident76.4Confident144 Ų144102.9 Ų102.967%0.67356%0.558SS**Hα-helixtrans-63.1-34.2179.672.6-128.4137.800112.7S4 S10S4-E6 VanDerWaalsContact C-N 3.28Å; S4-E6 WeakPolarHBondContact CB-OE1 3.38Å; S4-E6 PolarHBondContact O-N 3.25Å; S4-E6 WeakPolarHBondContact OG-CG 3.27Å; S4-E6 PolarHBondContact OG-OE1 2.84Å; E6-S10 VanDerWaalsContact O-CB 3.29Å; E6-S10 WeakPolarHBondContact O-CB 3.34Å; E6-S10 PolarHBondContact O-N 2.84Å; E6-S10 PolarHBondContact O-OG 3.3Å
7T83.2Confident76.5Confident72 Ų72103.9 Ų103.944%0.44256%0.558SS.*Hα-helixtrans-72.5-37.2177.9-540000110.5V3 S4 N5 S10 A11V3-T7 HydrophobicContact CG1-CG2 4.19Å; S4-T7 WeakPolarHBondContact O-CB 3.36Å; S4-T7 PolarHBondContact O-N 3.23Å; S4-T7 VanDerWaalsContact O-N 3.09Å; S4-T7 PolarHBondContact OG-OG1 3.03Å; N5-T7 VanDerWaalsContact C-N 3.28Å; N5-T7 PolarHBondContact O-N 3.48Å; T7-S10 WeakPolarHBondContact CA-OG 3.35Å; T7-S10 PolarHBondContact O-OG 2.95Å; T7-S10 VanDerWaalsContact O-OG 3.09Å; T7-A11 WeakPolarHBondContact O-CB 3.38Å; T7-A11 PolarHBondContact O-N 3.45Å; T7-A11 VanDerWaalsContact O-N 3.14Å
8C83.7Confident76.7Confident1 Ų199.3 Ų99.31%0.00753%0.534CS..Hα-helixtrans-64-48.8176.1-1790000112V3 S4 N5 A11 S12 C18 H19 W20 C27V3-C8 HydrophobicContact CG1-CB 4.21Å; S4-C8 PolarHBondContact O-N 3.04Å; N5-C8 WeakPolarHBondContact O-CB 3.21Å; N5-C8 PolarHBondContact O-N 3.39Å; N5-C8 VanDerWaalsContact O-N 3.16Å; C8-A11 PolarHBondContact O-N 3.16Å; C8-S12 PolarHBondContact O-N 3.36Å; C8-C18 WeakPolarHBondContact O-CB 3.39Å; C8-H19 VanDerWaalsContact SG-C 3.56Å; C8-H19 PolarHBondContact SG-O 3.43Å; C8-H19 VanDerWaalsContact SG-O 3.36Å; C8-W20 HydrophobicContact CB-CE3 3.82Å; C8-C27 WeakPolarHBondContact CA-SG 3.33Å; C8-C27 HydrophobicContact CB-CB 3.53Å; C8-C27 WeakPolarHBondContact CB-SG 3.23Å; C8-C27 VanDerWaalsContact SG-CA 3.56Å; C8-C27 WeakPolarHBondContact SG-CB 3.27Å; C8-C27 CovalentContact SG-SG 2.02Å; C8-C27 PolarHBondContact SG-SG 3.32Å
9L81.5Confident77Confident93 Ų9396.7 Ų96.749%0.48752%0.519SS..Hα-helixtrans-70-36.5-177.6-66175.1000111.9N5 A11 S12N5-L9 WeakPolarHBondContact O-CG 3.37Å; N5-L9 PolarHBondContact O-N 3.31Å; N5-L9 WeakPolarHBondContact OD1-CD1 3.48Å; L9-A11 VanDerWaalsContact C-N 3.29Å; L9-A11 PolarHBondContact O-N 2.87Å; L9-S12 WeakPolarHBondContact O-CB 3.45Å; L9-S12 PolarHBondContact O-N 3.48Å
10S83.1Confident77.3Confident93 Ų9393.2 Ų93.265%0.6550%0.498SS*.Hα-helixtrans-70.4-24.6175.256.20000113.5E6 T7 S12E6-S10 VanDerWaalsContact O-CB 3.29Å; E6-S10 WeakPolarHBondContact O-CB 3.34Å; E6-S10 PolarHBondContact O-N 2.84Å; E6-S10 PolarHBondContact O-OG 3.3Å; T7-S10 WeakPolarHBondContact CA-OG 3.35Å; T7-S10 PolarHBondContact O-OG 2.95Å; T7-S10 VanDerWaalsContact O-OG 3.09Å; S10-S12 VanDerWaalsContact C-N 3.25Å; S10-S12 PolarHBondContact O-N 2.86Å
11A81.6Confident77.5Confident56 Ų5688.7 Ų88.746%0.46347%0.474SS..THydrogen-bonded Turntrans-77.5-10.2172.800000113.4T7 C8 L9 K13T7-A11 WeakPolarHBondContact O-CB 3.38Å; T7-A11 PolarHBondContact O-N 3.45Å; T7-A11 VanDerWaalsContact O-N 3.14Å; C8-A11 PolarHBondContact O-N 3.16Å; L9-A11 VanDerWaalsContact C-N 3.29Å; L9-A11 PolarHBondContact O-N 2.87Å; A11-K13 PolarHBondContact O-N 3.28Å
12S80.3Confident79Confident45 Ų4579 Ų7932%0.31543%0.43SS..  trans-65.4124.2178.4-164.40000110.5C8 L9 S10 E17 C18C8-S12 PolarHBondContact O-N 3.36Å; L9-S12 WeakPolarHBondContact O-CB 3.45Å; L9-S12 PolarHBondContact O-N 3.48Å; S10-S12 VanDerWaalsContact C-N 3.25Å; S10-S12 PolarHBondContact O-N 2.86Å; S12-E17 WeakPolarHBondContact OG-CA 3.2Å; S12-C18 PolarHBondContact OG-N 2.91Å; S12-C18 VanDerWaalsContact OG-N 3.11Å
13K78.2Confident79.8Confident144 Ų14472.3 Ų72.363%0.62641%0.407SS*.BIsolated β-bridgetrans-112.1156.8178.1-70.2-178.4-176.21800109.2A11 D15 M16A11-K13 PolarHBondContact O-N 3.28Å; K13-D15 PolarHBondContact O-N 3.31Å; K13-M16 PolarHBondContact N-O 2.92Å; K13-M16 CarbonylContact O-C 3.09Å; K13-M16 PolarHBondContact O-N 2.92Å; K13-M16 VanDerWaalsContact O-O 3.06Å
14P74.7Confident79.9Confident150 Ų15070.8 Ų70.897%0.97440%0.4SS*.THydrogen-bonded Turntrans-56.4-26.2176.322-33.7000113.4
15D75.7Confident79.8Confident129 Ų12974.6 Ų74.669%0.6942%0.418SS*.THydrogen-bonded Turntrans-90.3-19.8176.9-16550.8000113.4K13K13-D15 PolarHBondContact O-N 3.31Å
16M71.8Confident79.7Confident102 Ų10272.8 Ų72.850%0.50241%0.408SS..BIsolated β-bridgetrans-139.991.2-177.9-65.5-152-172.900110.7K13 C18K13-M16 PolarHBondContact N-O 2.92Å; K13-M16 CarbonylContact O-C 3.09Å; K13-M16 PolarHBondContact O-N 2.92Å; K13-M16 VanDerWaalsContact O-O 3.06Å; M16-C18 PolarHBondContact O-N 3.33Å
17E77.6Confident79.6Confident120 Ų12067.3 Ų67.356%0.56139%0.386SS*.  trans-75.6112.3177.3-169.5173.5167.100110.4S12 H19 N29S12-E17 WeakPolarHBondContact OG-CA 3.2Å; E17-H19 IonicContact OE1-CE1 3.12Å; E17-H19 PolarHBondContact OE1-CE1 3.23Å; E17-H19 IonicContact OE1-NE2 3.89Å; E17-N29 WeakPolarHBondContact O-CA 3.34Å; E17-N29 WeakPolarHBondContact O-CB 3.36Å
18C80.1Confident79.5Confident20 Ų2064 Ų6414%0.13537%0.365CS..  trans-92.9139.4177.7-73.50000110.7C8 S12 M16C8-C18 WeakPolarHBondContact O-CB 3.39Å; S12-C18 PolarHBondContact OG-N 2.91Å; S12-C18 VanDerWaalsContact OG-N 3.11Å; M16-C18 PolarHBondContact O-N 3.33Å
19H82.4Confident79.1Confident51 Ų5165 Ų6524%0.23637%0.371CS..EExtended strand (participates in β ladder)trans-122.6146.7178.9-64-59.3000111.5C8 E17 C27 S28 W38 N47C8-H19 VanDerWaalsContact SG-C 3.56Å; C8-H19 PolarHBondContact SG-O 3.43Å; C8-H19 VanDerWaalsContact SG-O 3.36Å; E17-H19 IonicContact OE1-CE1 3.12Å; E17-H19 PolarHBondContact OE1-CE1 3.23Å; E17-H19 IonicContact OE1-NE2 3.89Å; H19-C27 WeakPolarHBondContact O-CA 3.15Å; H19-S28 PolarHBondContact N-O 3.48Å; H19-S28 PolarHBondContact O-N 3.09Å; H19-W38 HydrophobicContact CB-CH2 3.27Å; H19-W38 HydrophobicContact CB-CZ2 3.64Å; H19-W38 HydrophobicContact CB-CZ3 4.2Å; H19-W38 VanDerWaalsContact O-CH2 3.32Å; H19-W38 WeakPolarHBondContact O-CH2 3.37Å; H19-W38 VanDerWaalsContact O-CZ3 3.25Å; H19-W38 WeakPolarHBondContact O-CZ3 3.25Å; H19-N47 VanDerWaalsContact CB-ND2 3.26Å; H19-N47 WeakPolarHBondContact CB-ND2 3.41Å; H19-N47 PolarHBondContact ND1-ND2 2.86Å
20W84Confident78.4Confident25 Ų2561.9 Ų61.910%0.09536%0.361CS..EExtended strand (participates in β ladder)trans-99.5120.1-179.6178.5-105.9000112.1V3 N5 C8 S22 N25 C27 N47V3-W20 HydrophobicContact CB-CZ3 4.41Å; V3-W20 HydrophobicContact CG1-CZ3 4.46Å; V3-W20 WeakPolarHBondContact O-CH2 3.35Å; V3-W20 WeakPolarHBondContact O-CZ3 3.32Å; N5-W20 HydrophobicContact CB-CD2 3.87Å; N5-W20 HydrophobicContact CB-CG 3.83Å; N5-W20 WeakPolarHBondContact OD1-CB 3.32Å; N5-W20 VanDerWaalsContact OD1-CG 3.24Å; C8-W20 HydrophobicContact CB-CE3 3.82Å; W20-S22 PolarHBondContact NE1-OG 3.5Å; W20-N25 HydrophobicContact CH2-CB 4.36Å; W20-N25 HydrophobicContact CZ2-CB 4.35Å; W20-C27 HydrophobicContact CE3-CB 4.2Å; W20-C27 HydrophobicContact CZ3-CB 4.39Å; W20-N47 PolarHBondContact O-OD1 2.94Å
21C82.1Confident77.5Confident0 Ų067.2 Ų67.20%037%0.366CS..EExtended strand (participates in β ladder)trans-96.4106.4172.1-172.10000111.8T23 A24 N25 L26 W38 C43C21-T23 VanDerWaalsContact C-N 3.29Å; C21-T23 PolarHBondContact O-N 3.42Å; C21-A24 PolarHBondContact O-N 3.03Å; C21-N25 WeakPolarHBondContact O-CA 3.37Å; C21-N25 PolarHBondContact O-N 3.39Å; C21-L26 HydrophobicContact CB-CD1 3.96Å; C21-L26 HydrophobicContact CB-CG 4.15Å; C21-L26 PolarHBondContact N-O 3.31Å; C21-L26 PolarHBondContact O-N 2.91Å; C21-W38 HydrophobicContact CB-CE3 4.17Å; C21-W38 HydrophobicContact CB-CH2 4.02Å; C21-W38 HydrophobicContact CB-CZ3 3.71Å; C21-C43 HydrophobicContact CB-CB 3.48Å; C21-C43 VanDerWaalsContact CB-CB 3.48Å; C21-C43 WeakPolarHBondContact CB-SG 3.32Å; C21-C43 WeakPolarHBondContact SG-CB 3.28Å; C21-C43 CovalentContact SG-SG 2Å; C21-C43 PolarHBondContact SG-SG 2.89Å
22S81.2Confident76.7Confident37 Ų3767.7 Ų67.726%0.25936%0.361SS..THydrogen-bonded Turntrans-66.9-28.6176.2-63.80000113.5W20 A24 K50W20-S22 PolarHBondContact NE1-OG 3.5Å; S22-A24 VanDerWaalsContact C-N 3.34Å; S22-A24 PolarHBondContact O-N 3.5Å; S22-K50 WeakPolarHBondContact OG-CE 2.84Å; S22-K50 PolarHBondContact OG-NZ 3.37Å
23T77.9Confident76Confident74 Ų7472.5 Ų72.545%0.45439%0.389SS..THydrogen-bonded Turntrans-64.6-40.2179.2-44.50000111.8C21 N41 N46C21-T23 VanDerWaalsContact C-N 3.29Å; C21-T23 PolarHBondContact O-N 3.42Å; T23-N41 HydrophobicContact CG2-CB 4.12Å; T23-N41 PolarHBondContact OG1-O 3.15Å; T23-N46 PolarHBondContact OG1-ND2 3.4Å
24A74.4Confident75.4Confident29 Ų2969.5 Ų69.524%0.2438%0.38CS..THydrogen-bonded Turntrans-111.61.4-172.200000113.5C21 S22 L26 N41C21-A24 PolarHBondContact O-N 3.03Å; S22-A24 VanDerWaalsContact C-N 3.34Å; S22-A24 PolarHBondContact O-N 3.5Å; A24-L26 HydrophobicContact CB-CD2 3.36Å; A24-L26 HydrophobicContact CB-CG 3.69Å; A24-L26 PolarHBondContact O-N 2.94Å; A24-N41 HydrophobicContact CB-CB 3.77Å; A24-N41 WeakPolarHBondContact CB-ND2 3.32Å
25N80.3Confident75Confident118 Ų11864.1 Ų64.163%0.63135%0.345SS*.THydrogen-bonded Turntrans4744.8-174.7-65.2-67.1000112.5W20 C21W20-N25 HydrophobicContact CH2-CB 4.36Å; W20-N25 HydrophobicContact CZ2-CB 4.35Å; C21-N25 WeakPolarHBondContact O-CA 3.37Å; C21-N25 PolarHBondContact O-N 3.39Å
26L79.1Confident74.7Confident25 Ų2565.5 Ų65.513%0.13135%0.345CS..EExtended strand (participates in β ladder)trans-128.2149.6-178.164.983.1000110.8C21 A24 L34 A37 W38C21-L26 HydrophobicContact CB-CD1 3.96Å; C21-L26 HydrophobicContact CB-CG 4.15Å; C21-L26 PolarHBondContact N-O 3.31Å; C21-L26 PolarHBondContact O-N 2.91Å; A24-L26 HydrophobicContact CB-CD2 3.36Å; A24-L26 HydrophobicContact CB-CG 3.69Å; A24-L26 PolarHBondContact O-N 2.94Å; L26-L34 HydrophobicContact CB-CD2 4.18Å; L26-L34 HydrophobicContact CD1-CD2 4.15Å; L26-L34 HydrophobicContact CD2-CD2 4.19Å; L26-L34 HydrophobicContact CG-CD2 4.41Å; L26-A37 HydrophobicContact CD2-CB 4.05Å; L26-W38 HydrophobicContact CD1-CE3 3.42Å; L26-W38 VanDerWaalsContact CD1-CE3 3.42Å; L26-W38 HydrophobicContact CD1-CZ3 3.75Å
27C79.8Confident74.5Confident30 Ų3062.1 Ų62.120%0.20333%0.334CS..EExtended strand (participates in β ladder)trans-104.6131.3171.8-176.10000108.3V3 C8 H19 W20V3-C27 HydrophobicContact CG1-CB 4.07Å; C8-C27 WeakPolarHBondContact CA-SG 3.33Å; C8-C27 HydrophobicContact CB-CB 3.53Å; C8-C27 WeakPolarHBondContact CB-SG 3.23Å; C8-C27 VanDerWaalsContact SG-CA 3.56Å; C8-C27 WeakPolarHBondContact SG-CB 3.27Å; C8-C27 CovalentContact SG-SG 2.02Å; C8-C27 PolarHBondContact SG-SG 3.32Å; H19-C27 WeakPolarHBondContact O-CA 3.15Å; W20-C27 HydrophobicContact CE3-CB 4.2Å; W20-C27 HydrophobicContact CZ3-CB 4.39Å
28S80.2Confident74.2Confident1 Ų157 Ų571%0.00731%0.309CS..EExtended strand (participates in β ladder)trans-154.9152.7170.8-175.50000110.5H19 G30 D32H19-S28 PolarHBondContact N-O 3.48Å; H19-S28 PolarHBondContact O-N 3.09Å; S28-G30 PolarHBondContact O-N 3.05Å; S28-G30 PolarHBondContact OG-N 3.22Å; S28-D32 PolarHBondContact OG-OD2 3.41Å
29N75.3Confident73.8Confident23 Ų2361.3 Ų61.312%0.12333%0.328CS..  trans-84.46.717364.518.8000113.5E17 R31 D32E17-N29 WeakPolarHBondContact O-CA 3.34Å; E17-N29 WeakPolarHBondContact O-CB 3.36Å; N29-R31 PolarHBondContact O-N 3.29Å; N29-R31 WeakPolarHBondContact OD1-CA 3.24Å; N29-R31 PolarHBondContact OD1-N 3.3Å; N29-D32 VanDerWaalsContact CG-OD1 3.29Å; N29-D32 PolarHBondContact N-OD2 3.04Å; N29-D32 VanDerWaalsContact N-OD2 3.08Å; N29-D32 VanDerWaalsContact ND2-CG 3.32Å; N29-D32 PolarHBondContact ND2-OD1 2.93Å; N29-D32 PolarHBondContact ND2-OD2 3.28Å; N29-D32 PolarHBondContact OD1-N 3.39Å; N29-D32 PolarHBondContact OD1-OD1 2.86Å; N29-D32 PolarHBondContact OD1-OD2 3.3Å
30G66.7Low73.5Confident27 Ų2765.1 Ų65.128%0.27835%0.349SS..SBendtrans73-12.8-176.600000115.4S28 S35S28-G30 PolarHBondContact O-N 3.05Å; S28-G30 PolarHBondContact OG-N 3.22Å; G30-S35 PolarHBondContact O-OG 3.44Å; G30-S35 VanDerWaalsContact O-OG 3.1Å
31R64.1Low72.8Confident205 Ų20566.4 Ų66.477%0.77436%0.358SS*.SBendtrans-102.6-12.5175.7-80.6-173.8-88.5165.9-4.6113.8N29N29-R31 PolarHBondContact O-N 3.29Å; N29-R31 WeakPolarHBondContact OD1-CA 3.24Å; N29-R31 PolarHBondContact OD1-N 3.3Å
32D64.3Low72.2Confident66 Ų6671.3 Ų71.335%0.35338%0.384SS..SBendtrans-69.8166178.7-56.1-49.8000112.6S28 N29 L34 S35S28-D32 PolarHBondContact OG-OD2 3.41Å; N29-D32 VanDerWaalsContact CG-OD1 3.29Å; N29-D32 PolarHBondContact N-OD2 3.04Å; N29-D32 VanDerWaalsContact N-OD2 3.08Å; N29-D32 VanDerWaalsContact ND2-CG 3.32Å; N29-D32 PolarHBondContact ND2-OD1 2.93Å; N29-D32 PolarHBondContact ND2-OD2 3.28Å; N29-D32 PolarHBondContact OD1-N 3.39Å; N29-D32 PolarHBondContact OD1-OD1 2.86Å; N29-D32 PolarHBondContact OD1-OD2 3.3Å; D32-L34 HydrophobicContact CB-CB 4.48Å; D32-L34 PolarHBondContact O-N 3.45Å; D32-S35 VanDerWaalsContact O-CB 3.23Å; D32-S35 WeakPolarHBondContact O-CB 3.41Å; D32-S35 PolarHBondContact O-N 3.49Å
33T66Low71.9Confident147 Ų14769.6 Ų69.690%0.90237%0.372SS*.THydrogen-bonded Turntrans-51.4-20170.4-400000113.1S35T33-S35 VanDerWaalsContact C-N 3.28Å; T33-S35 PolarHBondContact O-N 2.81Å
34L65.7Low71.4Confident81 Ų8170.9 Ų70.942%0.42438%0.38SS..THydrogen-bonded Turntrans-79.2-1.6176.2-128.469.8000114.5L26 D32 K36 A37 W38L26-L34 HydrophobicContact CB-CD2 4.18Å; L26-L34 HydrophobicContact CD1-CD2 4.15Å; L26-L34 HydrophobicContact CD2-CD2 4.19Å; L26-L34 HydrophobicContact CG-CD2 4.41Å; D32-L34 HydrophobicContact CB-CB 4.48Å; D32-L34 PolarHBondContact O-N 3.45Å; L34-K36 PolarHBondContact O-N 3.23Å; L34-K36 VanDerWaalsContact O-N 3.13Å; L34-A37 HydrophobicContact CG-CB 4.4Å; L34-A37 PolarHBondContact O-N 2.95Å; L34-W38 PolarHBondContact O-N 3.09Å
35S65.8Low70.6Confident36 Ų3677.2 Ų77.225%0.25240%0.402SS..Hα-helixtrans-54.8-32.3179.4-172.60000112.7G30 D32 T33 W38 M39G30-S35 PolarHBondContact O-OG 3.44Å; G30-S35 VanDerWaalsContact O-OG 3.1Å; D32-S35 VanDerWaalsContact O-CB 3.23Å; D32-S35 WeakPolarHBondContact O-CB 3.41Å; D32-S35 PolarHBondContact O-N 3.49Å; T33-S35 VanDerWaalsContact C-N 3.28Å; T33-S35 PolarHBondContact O-N 2.81Å; S35-W38 WeakPolarHBondContact O-CB 3.5Å; S35-W38 PolarHBondContact O-N 3.14Å; S35-M39 WeakPolarHBondContact O-CG 3.34Å; S35-M39 PolarHBondContact O-N 3.36Å
36K69.2Low69.3Low159 Ų15974.9 Ų74.969%0.69139%0.389SS*.Hα-helixtrans-61.2-50.2172.7-71.2-177.8-179178.10112.4L34 W38 M39 I40L34-K36 PolarHBondContact O-N 3.23Å; L34-K36 VanDerWaalsContact O-N 3.13Å; K36-W38 VanDerWaalsContact C-N 3.28Å; K36-W38 PolarHBondContact O-N 3.47Å; K36-M39 PolarHBondContact O-N 3.01Å; K36-I40 WeakPolarHBondContact O-CB 3.23Å; K36-I40 WeakPolarHBondContact O-CD1 3.38Å; K36-I40 WeakPolarHBondContact O-CG1 3.4Å; K36-I40 PolarHBondContact O-N 2.93Å
37A67.8Low68.1Low31 Ų3177.1 Ų77.126%0.25640%0.402SS..Hα-helixtrans-67.5-33178.500000111.5L26 L34 N41L26-A37 HydrophobicContact CD2-CB 4.05Å; L34-A37 HydrophobicContact CG-CB 4.4Å; L34-A37 PolarHBondContact O-N 2.95Å; A37-N41 WeakPolarHBondContact O-CB 3.08Å; A37-N41 PolarHBondContact O-N 3.04Å; A37-N41 VanDerWaalsContact O-N 3.14Å; A37-N41 PolarHBondContact O-ND2 3.44Å
38W73.1Confident66.6Low12 Ų1284.2 Ų84.25%0.04543%0.434CS..Hα-helixtrans-60.2-48.3173.5-170-87.3000112H19 C21 L26 L34 S35 K36 N42 C43 T44H19-W38 HydrophobicContact CB-CH2 3.27Å; H19-W38 HydrophobicContact CB-CZ2 3.64Å; H19-W38 HydrophobicContact CB-CZ3 4.2Å; H19-W38 VanDerWaalsContact O-CH2 3.32Å; H19-W38 WeakPolarHBondContact O-CH2 3.37Å; H19-W38 VanDerWaalsContact O-CZ3 3.25Å; H19-W38 WeakPolarHBondContact O-CZ3 3.25Å; C21-W38 HydrophobicContact CB-CE3 4.17Å; C21-W38 HydrophobicContact CB-CH2 4.02Å; C21-W38 HydrophobicContact CB-CZ3 3.71Å; L26-W38 HydrophobicContact CD1-CE3 3.42Å; L26-W38 VanDerWaalsContact CD1-CE3 3.42Å; L26-W38 HydrophobicContact CD1-CZ3 3.75Å; L34-W38 PolarHBondContact O-N 3.09Å; S35-W38 WeakPolarHBondContact O-CB 3.5Å; S35-W38 PolarHBondContact O-N 3.14Å; K36-W38 VanDerWaalsContact C-N 3.28Å; K36-W38 PolarHBondContact O-N 3.47Å; W38-N42 PolarHBondContact O-N 3.39Å; W38-C43 HydrophobicContact CD2-CB 3.4Å; W38-C43 VanDerWaalsContact CD2-CB 3.4Å; W38-C43 HydrophobicContact CE3-CB 3.87Å; W38-C43 HydrophobicContact CG-CB 3.73Å; W38-C43 HydrophobicContact CH2-CB 4.06Å; W38-C43 HydrophobicContact CZ2-CB 3.68Å; W38-C43 HydrophobicContact CZ3-CB 4.18Å; W38-C43 VanDerWaalsContact O-CB 3.28Å; W38-C43 WeakPolarHBondContact O-CB 3.13Å; W38-C43 PolarHBondContact O-N 2.97Å; W38-C43 PolarHBondContact O-SG 3.49Å; W38-C43 VanDerWaalsContact O-SG 3.38Å; W38-T44 PolarHBondContact NE1-OG1 3.1Å
39M71.6Confident65.1Low110 Ų11092.2 Ų92.254%0.54247%0.471SS..Hα-helixtrans-68-45.3178.2-71.9-172-69.700112.3S35 K36 N41 N42S35-M39 WeakPolarHBondContact O-CG 3.34Å; S35-M39 PolarHBondContact O-N 3.36Å; K36-M39 PolarHBondContact O-N 3.01Å; M39-N41 PolarHBondContact O-N 3.32Å; M39-N42 PolarHBondContact O-N 3.04Å; M39-N42 VanDerWaalsContact O-N 3.07Å
40I74.9Confident63.8Low131 Ų13198 Ų9867%0.67250%0.496SS*.Hα-helixtrans-58.7-38.1-179.4-69.9164000111.2K36 N42K36-I40 WeakPolarHBondContact O-CB 3.23Å; K36-I40 WeakPolarHBondContact O-CD1 3.38Å; K36-I40 WeakPolarHBondContact O-CG1 3.4Å; K36-I40 PolarHBondContact O-N 2.93Å; I40-N42 VanDerWaalsContact C-N 3.29Å; I40-N42 PolarHBondContact O-N 2.82Å
41N68.8Low63.1Low53 Ų53104.4 Ų104.428%0.28352%0.523SS..THydrogen-bonded Turntrans-9013.6-178.6-68.5-67.9000113.8T23 A24 A37 M39 C43T23-N41 HydrophobicContact CG2-CB 4.12Å; T23-N41 PolarHBondContact OG1-O 3.15Å; A24-N41 HydrophobicContact CB-CB 3.77Å; A24-N41 WeakPolarHBondContact CB-ND2 3.32Å; A37-N41 WeakPolarHBondContact O-CB 3.08Å; A37-N41 PolarHBondContact O-N 3.04Å; A37-N41 VanDerWaalsContact O-N 3.14Å; A37-N41 PolarHBondContact O-ND2 3.44Å; M39-N41 PolarHBondContact O-N 3.32Å; N41-C43 VanDerWaalsContact CB-SG 3.53Å; N41-C43 PolarHBondContact O-N 3.03Å; N41-C43 VanDerWaalsContact O-N 3.1Å
42N70.2Confident62.3Low103 Ų103104.8 Ų104.855%0.55153%0.53SS*.THydrogen-bonded Turntrans52.530-179.4-74-60000113.9W38 M39 I40 T44 K45W38-N42 PolarHBondContact O-N 3.39Å; M39-N42 PolarHBondContact O-N 3.04Å; M39-N42 VanDerWaalsContact O-N 3.07Å; I40-N42 VanDerWaalsContact C-N 3.29Å; I40-N42 PolarHBondContact O-N 2.82Å; N42-T44 PolarHBondContact O-N 3.13Å; N42-K45 PolarHBondContact O-N 2.81Å
43C75.1Confident61.2Low0 Ų0111.3 Ų111.30%056%0.556CS.*G310 helixtrans-66-22.2-174.8-57.80000112.9C21 W38 N41 K45 N46C21-C43 HydrophobicContact CB-CB 3.48Å; C21-C43 VanDerWaalsContact CB-CB 3.48Å; C21-C43 WeakPolarHBondContact CB-SG 3.32Å; C21-C43 WeakPolarHBondContact SG-CB 3.28Å; C21-C43 CovalentContact SG-SG 2Å; C21-C43 PolarHBondContact SG-SG 2.89Å; W38-C43 HydrophobicContact CD2-CB 3.4Å; W38-C43 VanDerWaalsContact CD2-CB 3.4Å; W38-C43 HydrophobicContact CE3-CB 3.87Å; W38-C43 HydrophobicContact CG-CB 3.73Å; W38-C43 HydrophobicContact CH2-CB 4.06Å; W38-C43 HydrophobicContact CZ2-CB 3.68Å; W38-C43 HydrophobicContact CZ3-CB 4.18Å; W38-C43 VanDerWaalsContact O-CB 3.28Å; W38-C43 WeakPolarHBondContact O-CB 3.13Å; W38-C43 PolarHBondContact O-N 2.97Å; W38-C43 PolarHBondContact O-SG 3.49Å; W38-C43 VanDerWaalsContact O-SG 3.38Å; N41-C43 VanDerWaalsContact CB-SG 3.53Å; N41-C43 PolarHBondContact O-N 3.03Å; N41-C43 VanDerWaalsContact O-N 3.1Å; C43-K45 PolarHBondContact O-N 3.46Å; C43-N46 PolarHBondContact O-N 2.84Å
44T67Low60.2Low101 Ų101109.5 Ų109.562%0.6255%0.549SS*.G310 helixtrans-61.9-24.8177.5-41.10000113.3W38 N42W38-T44 PolarHBondContact NE1-OG1 3.1Å; N42-T44 PolarHBondContact O-N 3.13Å
45K57.6Low59.3Low163 Ų163113.9 Ų113.971%0.70957%0.573SS**G310 helixtrans-94.9-17.5-179.7-69.2-178.4178.3178.70113.6N42 C43N42-K45 PolarHBondContact O-N 2.81Å; C43-K45 PolarHBondContact O-N 3.46Å
46N53.6Low58.4Low68 Ų68120.6 Ų120.636%0.36460%0.6SS.*G310 helixtrans-93.60-163.5-73.52000114.8T23 C43 M48T23-N46 PolarHBondContact OG1-ND2 3.4Å; C43-N46 PolarHBondContact O-N 2.84Å; N46-M48 PolarHBondContact O-N 3.35Å
47N53.3Low57.2Low73 Ų73120.9 Ų120.939%0.3960%0.601SS.*G310 helixtrans-74.5-4172.8-76.5-10.6000114.4H19 W20H19-N47 VanDerWaalsContact CB-ND2 3.26Å; H19-N47 WeakPolarHBondContact CB-ND2 3.41Å; H19-N47 PolarHBondContact ND1-ND2 2.86Å; W20-N47 PolarHBondContact O-OD1 2.94Å
48M49.2Very low56.3Low178 Ų178125.4 Ų125.488%0.87762%0.621SS**G310 helixtrans-107.52.3-179-70.9-167.379.300115N46N46-M48 PolarHBondContact O-N 3.35Å
49Q47.9Very low55Low170 Ų170134.6 Ų134.679%0.79466%0.661SS**  trans-135.874.1-176-75.8-174.52.700112.2
50K48Very low53.5Low145 Ų145139.3 Ų139.363%0.6368%0.679SS**SBendtrans-145.935.9163.2-121.5-175.3-171.5-175.30115.9S22S22-K50 WeakPolarHBondContact OG-CE 2.84Å; S22-K50 PolarHBondContact OG-NZ 3.37Å
51D51.7Low52.1Low161 Ų161138.2 Ų138.286%0.86168%0.683SS**SBendtrans-137.812.8172-70.8-52.6000115.6
52K48Very low50.7Low212 Ų212144.4 Ų144.492%0.92271%0.71SS**SBendtrans-138.838.8-174.5-68.4-168.2-179.51790116.7
53K41.6Very low49.3Very low204 Ų204146.4 Ų146.489%0.88772%0.716SS**SBendtrans-156.674.7170.5-158165.1-175.7173.90114.4
54S43.5Very low47.8Very low108 Ų108153.8 Ų153.876%0.75575%0.752SS**  trans175.968.2143.856.20000111.2
55D47.4Very low46.8Very low173 Ų173154.9 Ų154.993%0.92575%0.754SS**  trans-131.899.6154.2-79.9-51.2000109
56H47.7Very low46Very low178 Ų178154.6 Ų154.682%0.82476%0.76SS**  trans-53.3139.7162.7-123.7-77.4000109
57K44.4Very low45.3Very low164 Ų164161.3 Ų161.371%0.71379%0.786SS**  trans88.6101.4135.4-143.5164.8-163.6179.30118
58D48Very low44.9Very low126 Ų126163.3 Ų163.367%0.67481%0.806SS**  77124.2129.6-59.3-19.6000121
59K46.6Very low44.8Very low206 Ų206161.5 Ų161.590%0.89680%0.8SS**  trans78.3100.4151.6-66.3170.6179.5179.30117.9
60K40Very low44.6Very low209 Ų209162.5 Ų162.591%0.90981%0.805SS**  trans-125.9105.7145.9-171.5153.7-177.7172.10109.9
61S44.2Very low44.4Very low108 Ų108164.1 Ų164.176%0.75581%0.812SS**  trans-74.7166.4164.162.80000110.5
62E40.1Very low44.2Very low182 Ų182162.7 Ų162.785%0.8580%0.804SS**  trans-71162.8-165.9-63.7157.2159.600115
63H41.3Very low44.1Very low145 Ų145163 Ų16367%0.67181%0.805SS**  trans82.8111.7148-132.1-2.3000118.8
64M43.5Very low43.9Very low156 Ų156162.2 Ų162.277%0.76880%0.802SS**  171.5137.5104.7-86.9-64.2179.300110.5
65D44.5Very low43.5Very low123 Ų123161.7 Ų161.766%0.65880%0.798SS**  trans-69.1158.9-176.6-62.3-76.8000114.3
66N42.5Very low43Very low158 Ų158161.9 Ų161.985%0.84579%0.793SS**  trans92.1117.1148.8-67.9-30.8000120.5
67K37.3Very low42.6Very low209 Ų209162.3 Ų162.391%0.90980%0.796SS**  trans95.783.9142-151.4171-171.21740116.2
68S46.1Very low42.4Very low115 Ų115161.6 Ų161.680%0.80480%0.797SS**  trans-158.7139.7142.9-172.90000110.1
69D47.2Very low41.9Very low140 Ų140162.1 Ų162.175%0.74980%0.8SS**  trans-54152.7-173.5-59.9-84.5000115.9
70Q43.2Very low41.6Very low191 Ų191159.7 Ų159.789%0.89380%0.796SS**  trans52.9120.4156.4-72179.2-9.300117.1
71K43.9Very low41.3Very low179 Ų179159.4 Ų159.478%0.77880%0.795SS**  159.7115.8108.9-167.3160.9-172.1173.50110.9
72D48.4Very low41.2Very low130 Ų130158.7 Ų158.770%0.69579%0.79SS**  trans68.9103.3149.1-54.2-23.2000119.6K74D72-K74 PolarHBondContact O-N 3.43Å
73K44.9Very low41.3Very low218 Ų218156.9 Ų156.995%0.94879%0.786SS**  trans-48.7118.1162.8-75.8172.4172177.40111.1
74K37.5Very low41.4Very low189 Ų189158.6 Ų158.682%0.82279%0.794SS**  trans-80.7151.3163.3174.9173.3176.2-176.50109.9D72D72-K74 PolarHBondContact O-N 3.43Å
75S34.6Very low41.3Very low96 Ų96158.6 Ų158.667%0.67179%0.79SS**  trans75105.1165.6-81.70000115.8
76E37.9Very low41.3Very low177 Ų177160.3 Ų160.383%0.82780%0.799SS**  170110.2113.1-88.8167.5-172.400109.3
77Q38.3Very low41.5Very low188 Ų188159.6 Ų159.688%0.87980%0.796SS**  trans-157.195.2152.4-119.4-176.7-4700105.3
78M39.9Very low42.1Very low149 Ų149159 Ų15973%0.73479%0.793SS**  42.610774.8-75.5-167178.700111.8
79D37.3Very low42.6Very low137 Ų137157.3 Ų157.373%0.73378%0.779SS**  30.9107.8127.1-52.6-66.9000115.5
80N41.5Very low43.2Very low154 Ų154158.3 Ų158.382%0.82478%0.781SS**  trans-177.8106.5134.1-89.3-34.4000111.6
81K34.3Very low44.3Very low203 Ų203157.7 Ų157.788%0.88378%0.776SS**  trans-11.6119.3137.3-174.9174.9-168161.70114.9
82S40.4Very low45.8Very low93 Ų93153.9 Ų153.965%0.6576%0.764SS**  trans169.6130.8134.5370000111.5
83D43.7Very low47.4Very low144 Ų144155.1 Ų155.177%0.7776%0.76SS**  trans53.2117.6140.3-56.2-66.1000118.6
84Q42.7Very low49.2Very low181 Ų181149.1 Ų149.185%0.84674%0.738SS**  -173.1101.986.7-176.3171.27.100108.7
85K42.3Very low51.5Low157 Ų157148.7 Ų148.768%0.68373%0.733SS**  35.2114.3104.3-93.1173.8176.61620113.1
86D44.1Very low54.1Low158 Ų158148.5 Ų148.585%0.84573%0.727SS**  -139.470.292.1-65-45.1000114.4
87N47.2Very low56.6Low144 Ų144143.3 Ų143.377%0.7771%0.705SS**  trans-98.183.4164.3-12-45.8000106.9
88K49.9Very low59.1Low196 Ų196138.5 Ų138.585%0.85268%0.684SS**  trans-62.8137.8172.2-135.9169.8-168.7-112.70108.4M90K88-M90 PolarHBondContact O-N 3.27Å
89P55Low61.7Low79 Ų79134.6 Ų134.651%0.51367%0.67SS.*  trans-76.594.3-156.630.6-34.9000111.7F91 N92P89-F91 PolarHBondContact O-N 3.07Å; P89-F91 VanDerWaalsContact O-N 3.15Å; P89-N92 HydrophobicContact CB-CB 4.33Å; P89-N92 HydrophobicContact CG-CB 4.23Å; P89-N92 PolarHBondContact O-N 2.92Å; P89-N92 VanDerWaalsContact O-N 3.14Å
90M60Low64.4Low161 Ų161131.2 Ų131.279%0.79366%0.657SS**Hα-helixtrans-55.8-27.4167.5-110.1-164.3172.700111.7K88 N92 Y93 L94K88-M90 PolarHBondContact O-N 3.27Å; M90-N92 VanDerWaalsContact C-N 3.31Å; M90-N92 PolarHBondContact O-N 3.32Å; M90-Y93 PolarHBondContact O-N 2.92Å; M90-L94 WeakPolarHBondContact O-CB 3.37Å; M90-L94 PolarHBondContact O-N 3.04Å
91F67.3Low67Low178 Ų178127.5 Ų127.578%0.78164%0.64SS**Hα-helixtrans-61.3-34.7177.5-64.3-70000113.6P89 L94 Y95P89-F91 PolarHBondContact O-N 3.07Å; P89-F91 VanDerWaalsContact O-N 3.15Å; F91-L94 PolarHBondContact O-N 3.38Å; F91-Y95 WeakPolarHBondContact O-CB 3.17Å; F91-Y95 PolarHBondContact O-N 3.37Å
92N75Confident70Confident100 Ų100122.4 Ų122.454%0.53562%0.621SS.*Hα-helixtrans-72.6-39.3179.8-161.817.9000111.2P89 M90 Y95 V96P89-N92 HydrophobicContact CB-CB 4.33Å; P89-N92 HydrophobicContact CG-CB 4.23Å; P89-N92 PolarHBondContact O-N 2.92Å; P89-N92 VanDerWaalsContact O-N 3.14Å; M90-N92 VanDerWaalsContact C-N 3.31Å; M90-N92 PolarHBondContact O-N 3.32Å; N92-Y95 PolarHBondContact O-N 2.82Å; N92-V96 WeakPolarHBondContact O-CG2 3.47Å; N92-V96 PolarHBondContact O-N 3.08Å
93Y80.8Confident72.6Confident156 Ų156119.5 Ų119.561%0.61261%0.606SS**Hα-helixtrans-64.2-42.8174.6-177.3-101.5000111.4M90 Y95 V96 L97M90-Y93 PolarHBondContact O-N 2.92Å; Y93-Y95 VanDerWaalsContact C-N 3.34Å; Y93-Y95 PolarHBondContact O-N 2.84Å; Y93-V96 PolarHBondContact O-N 3.03Å; Y93-L97 HydrophobicContact CD1-CD2 4.49Å; Y93-L97 HydrophobicContact CE1-CB 4.31Å; Y93-L97 HydrophobicContact CE1-CD2 3.73Å; Y93-L97 HydrophobicContact CE1-CG 4.42Å; Y93-L97 VanDerWaalsContact O-CB 3.23Å; Y93-L97 WeakPolarHBondContact O-CB 3.26Å; Y93-L97 PolarHBondContact O-N 3.31Å
94L83.9Confident75.1Confident92 Ų92117.9 Ų117.948%0.48260%0.596SS.*Hα-helixtrans-63-41.4177.8-163.971.7000111.6M90 F91 V96 L97 I98M90-L94 WeakPolarHBondContact O-CB 3.37Å; M90-L94 PolarHBondContact O-N 3.04Å; F91-L94 PolarHBondContact O-N 3.38Å; L94-V96 VanDerWaalsContact C-N 3.32Å; L94-V96 PolarHBondContact O-N 3.15Å; L94-L97 PolarHBondContact O-N 2.96Å; L94-I98 HydrophobicContact CD1-CD1 4.01Å; L94-I98 HydrophobicContact CD1-CG1 4.32Å; L94-I98 HydrophobicContact CD2-CD1 4.23Å; L94-I98 HydrophobicContact CG-CD1 3.64Å; L94-I98 HydrophobicContact CG-CG1 4.28Å; L94-I98 WeakPolarHBondContact O-CB 3.36Å; L94-I98 VanDerWaalsContact O-CG1 3.24Å; L94-I98 WeakPolarHBondContact O-CG1 2.97Å; L94-I98 PolarHBondContact O-N 2.98Å
95Y86Confident77.7Confident180 Ų180113.2 Ų113.271%0.70658%0.58SS**Hα-helixtrans-66.5-28.7176.1-175.5-98.3000113.5F91 N92 Y93 P99F91-Y95 WeakPolarHBondContact O-CB 3.17Å; F91-Y95 PolarHBondContact O-N 3.37Å; N92-Y95 PolarHBondContact O-N 2.82Å; Y93-Y95 VanDerWaalsContact C-N 3.34Å; Y93-Y95 PolarHBondContact O-N 2.84Å; Y95-P99 WeakPolarHBondContact O-CD 2.96Å; Y95-P99 WeakPolarHBondContact O-CG 3.4Å
96V88.7Confident80.3Confident91 Ų91111.2 Ų111.255%0.55258%0.576SS**Hα-helixtrans-83.7-40.7175.2173.80000111.5N92 Y93 L94 S100N92-V96 WeakPolarHBondContact O-CG2 3.47Å; N92-V96 PolarHBondContact O-N 3.08Å; Y93-V96 PolarHBondContact O-N 3.03Å; L94-V96 VanDerWaalsContact C-N 3.32Å; L94-V96 PolarHBondContact O-N 3.15Å; V96-S100 VanDerWaalsContact O-CB 3.32Å; V96-S100 WeakPolarHBondContact O-CB 3.12Å; V96-S100 PolarHBondContact O-N 3.11Å
97L90.2Very high82.8Confident69 Ų69107.5 Ų107.536%0.36156%0.559SS.*Hα-helixtrans-69.2-43.7-176.4-172.272.5000111.9Y93 L94 S100 V101Y93-L97 HydrophobicContact CD1-CD2 4.49Å; Y93-L97 HydrophobicContact CE1-CB 4.31Å; Y93-L97 HydrophobicContact CE1-CD2 3.73Å; Y93-L97 HydrophobicContact CE1-CG 4.42Å; Y93-L97 VanDerWaalsContact O-CB 3.23Å; Y93-L97 WeakPolarHBondContact O-CB 3.26Å; Y93-L97 PolarHBondContact O-N 3.31Å; L94-L97 PolarHBondContact O-N 2.96Å; L97-S100 PolarHBondContact O-N 3.49Å; L97-V101 HydrophobicContact CD1-CG2 4.37Å; L97-V101 HydrophobicContact CG-CG2 4.31Å; L97-V101 WeakPolarHBondContact O-CG2 3Å; L97-V101 PolarHBondContact O-N 2.98Å
98I91.3Very high85.1Confident86 Ų86104.1 Ų104.144%0.44155%0.545SS..Hα-helixtrans-60.7-54.5-175.9-68.7170.8000111.4L94 S100 V101 I102L94-I98 HydrophobicContact CD1-CD1 4.01Å; L94-I98 HydrophobicContact CD1-CG1 4.32Å; L94-I98 HydrophobicContact CD2-CD1 4.23Å; L94-I98 HydrophobicContact CG-CD1 3.64Å; L94-I98 HydrophobicContact CG-CG1 4.28Å; L94-I98 WeakPolarHBondContact O-CB 3.36Å; L94-I98 VanDerWaalsContact O-CG1 3.24Å; L94-I98 WeakPolarHBondContact O-CG1 2.97Å; L94-I98 PolarHBondContact O-N 2.98Å; I98-S100 VanDerWaalsContact C-N 3.31Å; I98-S100 PolarHBondContact O-N 2.87Å; I98-V101 PolarHBondContact O-N 3.36Å; I98-I102 HydrophobicContact CG2-CD1 3.65Å; I98-I102 VanDerWaalsContact O-CG1 3.27Å; I98-I102 WeakPolarHBondContact O-CG1 3.44Å; I98-I102 PolarHBondContact O-N 3.47Å
99P94.7Very high87.4Confident67 Ų6798.7 Ų98.744%0.43553%0.528SS..Hα-helixtrans-63.1-34.9176.6-22.835.5000113.1Y95 I102 G103Y95-P99 WeakPolarHBondContact O-CD 2.96Å; Y95-P99 WeakPolarHBondContact O-CG 3.4Å; P99-I102 PolarHBondContact O-N 3.38Å; P99-G103 PolarHBondContact O-N 3.02Å
100S94Very high89.3Confident66 Ų6696.9 Ų96.946%0.46252%0.524SS..Hα-helixtrans-62.1-44.1176.7-1740000111.8V96 L97 I98 L104V96-S100 VanDerWaalsContact O-CB 3.32Å; V96-S100 WeakPolarHBondContact O-CB 3.12Å; V96-S100 PolarHBondContact O-N 3.11Å; L97-S100 PolarHBondContact O-N 3.49Å; I98-S100 VanDerWaalsContact C-N 3.31Å; I98-S100 PolarHBondContact O-N 2.87Å; S100-L104 WeakPolarHBondContact O-CG 3.35Å; S100-L104 PolarHBondContact O-N 3.14Å; S100-L104 VanDerWaalsContact O-N 3.09Å
101V96.1Very high91Very high77 Ų7796.2 Ų96.247%0.46752%0.517SS..Hα-helixtrans-68-43.31781740000110.7L97 I98 G103 L104 V105L97-V101 HydrophobicContact CD1-CG2 4.37Å; L97-V101 HydrophobicContact CG-CG2 4.31Å; L97-V101 WeakPolarHBondContact O-CG2 3Å; L97-V101 PolarHBondContact O-N 2.98Å; I98-V101 PolarHBondContact O-N 3.36Å; V101-G103 VanDerWaalsContact C-N 3.34Å; V101-G103 PolarHBondContact O-N 3.46Å; V101-L104 PolarHBondContact O-N 3.12Å; V101-V105 WeakPolarHBondContact O-CG2 3.47Å; V101-V105 PolarHBondContact O-N 3.2Å
102I96Very high92.4Very high95 Ų9592.3 Ų92.349%0.48750%0.503SS..Hα-helixtrans-60-45.6177.1-66.3165.9000110.7I98 P99 L104 V105 I106I98-I102 HydrophobicContact CG2-CD1 3.65Å; I98-I102 VanDerWaalsContact O-CG1 3.27Å; I98-I102 WeakPolarHBondContact O-CG1 3.44Å; I98-I102 PolarHBondContact O-N 3.47Å; P99-I102 PolarHBondContact O-N 3.38Å; I102-L104 PolarHBondContact O-N 3Å; I102-V105 PolarHBondContact O-N 2Å; I102-I106 HydrophobicContact CG2-CD1 3.93Å; I102-I106 WeakPolarHBondContact O-CG1 3.45Å; I102-I106 PolarHBondContact O-N 3.1Å; I102-I106 VanDerWaalsContact O-N 3.09Å
103G95.7Very high93.4Very high32 Ų3291.4 Ų91.433%0.3350%0.501SS..Hα-helixtrans-60-45.1177.400000112.7P99 V101 V105 I106 V107P99-G103 PolarHBondContact O-N 3.02Å; V101-G103 VanDerWaalsContact C-N 3.34Å; V101-G103 PolarHBondContact O-N 3.46Å; G103-V105 VanDerWaalsContact C-N 3.35Å; G103-V105 PolarHBondContact O-N 3.25Å; G103-I106 PolarHBondContact O-N 2.83Å; G103-V107 WeakPolarHBondContact O-CG2 3.14Å; G103-V107 PolarHBondContact O-N 3.43Å
104L96.2Very high94.1Very high110 Ų11092.5 Ų92.558%0.57651%0.505SS*.Hα-helixtrans-61-41.6176.5-73.5172.9000112.3S100 V101 I102 V107 C108S100-L104 WeakPolarHBondContact O-CG 3.35Å; S100-L104 PolarHBondContact O-N 3.14Å; S100-L104 VanDerWaalsContact O-N 3.09Å; V101-L104 PolarHBondContact O-N 3.12Å; I102-L104 PolarHBondContact O-N 3Å; L104-V107 PolarHBondContact O-N 3.32Å; L104-C108 WeakPolarHBondContact O-CB 3.37Å; L104-C108 PolarHBondContact O-N 3.04Å; L104-C108 PolarHBondContact O-SG 2.87Å
105V96.7Very high94.7Very high84 Ų8494.6 Ų94.651%0.50951%0.51SS..Hα-helixtrans-63.1-44.3177.8173.40000111.2V101 I102 G103 V107 C108 V109V101-V105 WeakPolarHBondContact O-CG2 3.47Å; V101-V105 PolarHBondContact O-N 3.2Å; I102-V105 PolarHBondContact O-N 2Å; G103-V105 VanDerWaalsContact C-N 3.35Å; G103-V105 PolarHBondContact O-N 3.25Å; V105-V107 PolarHBondContact O-N 3.5Å; V105-C108 PolarHBondContact O-N 3.36Å; V105-V109 HydrophobicContact CG1-CG2 4.39Å; V105-V109 VanDerWaalsContact O-CG2 3.32Å; V105-V109 WeakPolarHBondContact O-CG2 2.95Å; V105-V109 PolarHBondContact O-N 3.22Å
106I97Very high95.1Very high115 Ų11594.2 Ų94.259%0.5951%0.507SS*.Hα-helixtrans-62.4-45.3178.6-65.9167.1000110.8I102 G103 V109 G110I102-I106 HydrophobicContact CG2-CD1 3.93Å; I102-I106 WeakPolarHBondContact O-CG1 3.45Å; I102-I106 PolarHBondContact O-N 3.1Å; I102-I106 VanDerWaalsContact O-N 3.09Å; G103-I106 PolarHBondContact O-N 2.83Å; I106-V109 PolarHBondContact O-N 3.26Å; I106-G110 PolarHBondContact O-N 3.43Å
107V97Very high95.3Very high80 Ų8094.8 Ų94.849%0.48551%0.507SS..Hα-helixtrans-60.6-48.2176.8172.90000110.3G103 L104 V105 V109 G110 F111G103-V107 WeakPolarHBondContact O-CG2 3.14Å; G103-V107 PolarHBondContact O-N 3.43Å; L104-V107 PolarHBondContact O-N 3.32Å; V105-V107 PolarHBondContact O-N 3.5Å; V107-V109 PolarHBondContact O-N 3.19Å; V107-G110 PolarHBondContact O-N 3.45Å; V107-F111 HydrophobicContact CG1-CD2 3.61Å; V107-F111 HydrophobicContact CG1-CE2 3.72Å; V107-F111 WeakPolarHBondContact O-CD2 3.37Å; V107-F111 PolarHBondContact O-N 2.02Å
108C96.4Very high95.4Very high72 Ų7294.3 Ų94.349%0.48651%0.509SS..Hα-helixtrans-58.2-46.7177.6-73.40000112.4L104 V105 G110 F111 I112L104-C108 WeakPolarHBondContact O-CB 3.37Å; L104-C108 PolarHBondContact O-N 3.04Å; L104-C108 PolarHBondContact O-SG 2.87Å; V105-C108 PolarHBondContact O-N 3.36Å; C108-G110 PolarHBondContact O-N 2.91Å; C108-F111 PolarHBondContact O-N 3.43Å; C108-I112 WeakPolarHBondContact O-CB 3.44Å; C108-I112 WeakPolarHBondContact O-CD1 2.95Å; C108-I112 WeakPolarHBondContact O-CG1 3.13Å; C108-I112 PolarHBondContact O-N 3.38Å
109V96.7Very high95.4Very high82 Ų8298 Ų9850%0.49752%0.522SS..Hα-helixtrans-62.7-43.5177.5173.20000110.9V105 I106 V107 I112 V113V105-V109 HydrophobicContact CG1-CG2 4.39Å; V105-V109 VanDerWaalsContact O-CG2 3.32Å; V105-V109 WeakPolarHBondContact O-CG2 2.95Å; V105-V109 PolarHBondContact O-N 3.22Å; I106-V109 PolarHBondContact O-N 3.26Å; V107-V109 PolarHBondContact O-N 3.19Å; V109-I112 PolarHBondContact O-N 3.5Å; V109-V113 HydrophobicContact CG1-CG2 4.47Å; V109-V113 WeakPolarHBondContact O-CG2 3.47Å; V109-V113 PolarHBondContact O-N 3.33Å
110G96Very high95.1Very high41 Ų41105.2 Ų105.242%0.42354%0.541SS..Hα-helixtrans-60.3-45.417600000112.9I106 V107 C108 V113 W114I106-G110 PolarHBondContact O-N 3.43Å; V107-G110 PolarHBondContact O-N 3.45Å; C108-G110 PolarHBondContact O-N 2.91Å; G110-V113 PolarHBondContact O-N 3.39Å; G110-W114 VanDerWaalsContact O-CB 3.27Å; G110-W114 WeakPolarHBondContact O-CB 3.45Å; G110-W114 PolarHBondContact O-N 3.32Å
111F96.3Very high94.3Very high148 Ų148113.2 Ų113.265%0.64957%0.571SS**Hα-helixtrans-62.3-42.3175.4-96-86.7000112.4V107 C108 W114 F115V107-F111 HydrophobicContact CG1-CD2 3.61Å; V107-F111 HydrophobicContact CG1-CE2 3.72Å; V107-F111 WeakPolarHBondContact O-CD2 3.37Å; V107-F111 PolarHBondContact O-N 2.02Å; C108-F111 PolarHBondContact O-N 3.43Å; F111-W114 PolarHBondContact O-N 3.46Å; F111-F115 WeakPolarHBondContact O-CB 3.29Å; F111-F115 PolarHBondContact O-N 3.14Å
112I96.3Very high94.2Very high95 Ų95115 Ų11549%0.48758%0.576SS.*Hα-helixtrans-60-54.8176.1-69.9164.4000109C108 V109 W114 F115 W116C108-I112 WeakPolarHBondContact O-CB 3.44Å; C108-I112 WeakPolarHBondContact O-CD1 2.95Å; C108-I112 WeakPolarHBondContact O-CG1 3.13Å; C108-I112 PolarHBondContact O-N 3.38Å; V109-I112 PolarHBondContact O-N 3.5Å; I112-W114 VanDerWaalsContact C-N 3.34Å; I112-W114 PolarHBondContact O-N 3.31Å; I112-F115 PolarHBondContact O-N 2.76Å; I112-F115 VanDerWaalsContact O-N 3.16Å; I112-W116 VanDerWaalsContact CG2-CD1 3.49Å; I112-W116 PolarHBondContact O-N 3.16Å
113V96Very high94.1Very high81 Ų81116.1 Ų116.149%0.49158%0.581SS.*Hα-helixtrans-58-45.5-1801740000111.5V109 G110 F115 W116 L117V109-V113 HydrophobicContact CG1-CG2 4.47Å; V109-V113 WeakPolarHBondContact O-CG2 3.47Å; V109-V113 PolarHBondContact O-N 3.33Å; G110-V113 PolarHBondContact O-N 3.39Å; V113-F115 PolarHBondContact O-N 3.09Å; V113-W116 PolarHBondContact O-N 3.05Å; V113-L117 HydrophobicContact CG1-CD1 4.09Å; V113-L117 HydrophobicContact CG1-CG 4.47Å; V113-L117 WeakPolarHBondContact O-CG 3.35Å; V113-L117 PolarHBondContact O-N 2.98Å
114W95.1Very high94Very high180 Ų180120.7 Ų120.768%0.68259%0.594SS**Hα-helixtrans-58.8-45.3176.5177.5-89.9000112.3G110 F111 I112 L117 S118G110-W114 VanDerWaalsContact O-CB 3.27Å; G110-W114 WeakPolarHBondContact O-CB 3.45Å; G110-W114 PolarHBondContact O-N 3.32Å; F111-W114 PolarHBondContact O-N 3.46Å; I112-W114 VanDerWaalsContact C-N 3.34Å; I112-W114 PolarHBondContact O-N 3.31Å; W114-L117 PolarHBondContact O-N 3.32Å; W114-S118 PolarHBondContact NE1-OG 3.24Å; W114-S118 WeakPolarHBondContact O-CB 3.38Å; W114-S118 PolarHBondContact O-N 3.09Å; W114-S118 PolarHBondContact O-OG 3.32Å
115F95.5Very high93.8Very high135 Ų135121.4 Ų121.459%0.59260%0.596SS**Hα-helixtrans-63.7-41.6178.2-176.9-99.8000111.7F111 I112 V113 S118 K119F111-F115 WeakPolarHBondContact O-CB 3.29Å; F111-F115 PolarHBondContact O-N 3.14Å; I112-F115 PolarHBondContact O-N 2.76Å; I112-F115 VanDerWaalsContact O-N 3.16Å; V113-F115 PolarHBondContact O-N 3.09Å; F115-S118 PolarHBondContact O-N 3.01Å; F115-K119 WeakPolarHBondContact O-CB 3.2Å; F115-K119 PolarHBondContact O-N 3.01Å
116W94.7Very high93.7Very high172 Ų172123.7 Ų123.765%0.65260%0.601SS**Hα-helixtrans-63.9-38.6174.9-81.699.7000112.6I112 V113 R120I112-W116 VanDerWaalsContact CG2-CD1 3.49Å; I112-W116 PolarHBondContact O-N 3.16Å; V113-W116 PolarHBondContact O-N 3.05Å; W116-R120 PolarHBondContact O-N 2.8Å
117L93.9Very high93.4Very high104 Ų104124.3 Ų124.355%0.54560%0.602SS.*Hα-helixtrans-71.2-43.5176.3-70.2175.9000112V113 W114 K119 R120 Q121V113-L117 HydrophobicContact CG1-CD1 4.09Å; V113-L117 HydrophobicContact CG1-CG 4.47Å; V113-L117 WeakPolarHBondContact O-CG 3.35Å; V113-L117 PolarHBondContact O-N 2.98Å; W114-L117 PolarHBondContact O-N 3.32Å; L117-K119 PolarHBondContact O-N 3.37Å; L117-R120 PolarHBondContact O-N 2.81Å; L117-Q121 PolarHBondContact O-N 2.69Å
118S92.1Very high93.2Very high59 Ų59127.4 Ų127.441%0.41361%0.61SS.*Hα-helixtrans-64.7-28178.7-58.30000112.5W114 F115W114-S118 PolarHBondContact NE1-OG 3.24Å; W114-S118 WeakPolarHBondContact O-CB 3.38Å; W114-S118 PolarHBondContact O-N 3.09Å; W114-S118 PolarHBondContact O-OG 3.32Å; F115-S118 PolarHBondContact O-N 3.01Å
119K91.8Very high92.9Very high163 Ų163131.7 Ų131.771%0.70962%0.62SS**THydrogen-bonded Turntrans-80.9-17.4175.1-167.5172.8-179.3176.10113F115 L117F115-K119 WeakPolarHBondContact O-CB 3.2Å; F115-K119 PolarHBondContact O-N 3.01Å; L117-K119 PolarHBondContact O-N 3.37Å
120R88.1Confident92.6Very high218 Ų218135.8 Ų135.882%0.82363%0.63SS**THydrogen-bonded Turntrans-87.9-25.2176.9-87.7-163.7-172.9-177.54.1113.4W116 L117W116-R120 PolarHBondContact O-N 2.8Å; L117-R120 PolarHBondContact O-N 2.81Å
121Q76Confident92.3Very high234 Ų234144.5 Ų144.5100%1.09365%0.649SS**  trans-82.90168.1-74-156-14.900110.7L117L117-Q121 PolarHBondContact O-N 2.69Å

Retrieved 121 of 121 residues in 33.9 ms (Link to these results)