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Scaffold protein ILK

Scaffold protein which mediates protein-protein interactions during a range of cellular events including focal adhesion assembly, cell adhesion and cell migration1,2,3,4. Regulates integrin-mediated signal transduction by contributing to inside-out integrin activation (By similarity). Recruits PARVA and LIMS1/PITCH to form the heterotrimeric IPP (ILK-PINCH-PARVIN) complex which binds to F-actin via the C-terminal tail of LIMS1 and the N-terminal region of PARVA, promoting F-actin filament bundling, a process required to generate force for actin cytoskeleton reorganization and subsequent dynamic cell adhesion events such as cell spreading and migration5. Binding to PARVA promotes effective assembly of ILK into focal adhesions while PARVA-bound ILK can simultaneously engage integrin-beta cytoplasmic tails to mediate cell adhesion6. Plays a role with PARVG in promoting the cell adhesion and spreading of leukocytes7. Acts as an upstream effector of both AKT1/PKB and GSK38. Mediates trafficking of caveolae to the cell surface in an ITGB1-dependent manner by promoting the recruitment of IQGAP1 to the cell cortex which cooperates with its effector DIAPH1 to locally stabilize microtubules and allow stable insertion of caveolae into the plasma membrane (By similarity). Required for the maintenance of mitotic spindle integrity by promoting phosphorylation of TACC3 by AURKA9. Associates with chromatin and may act as a negative regulator of transcription when located in the nucleus10.

AlphaFold DB , UniProt , Accession Q13418, Species HUMAN (Homo sapiens, Human), Gene ILK, Length 452 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
1M51Low88.2Confident209 Ų20967 Ų67100%1.0334%0.339SS*.  0114.20-168172.8-74.800104.2
2D67.9Low88.9Confident96 Ų9666.8 Ų66.851%0.51334%0.34SS..  trans-58.1157.6179.5-46.9-59.1000109.4T6 Q7D2-T6 HydrophobicContact CB-CG2 3.86Å; D2-Q7 PolarHBondContact OD2-NE2 2.63Å
3D89.9Confident89.4Confident88 Ų8863.8 Ų63.847%0.47133%0.331SS..  trans-57.4157.117864.135.5000111.3F5 T6 Q7D3-F5 HydrophobicContact CB-CD2 4.4Å; D3-F5 PolarHBondContact O-N 2.89Å; D3-F5 VanDerWaalsContact O-N 3.14Å; D3-F5 PolarHBondContact OD1-N 2.98Å; D3-T6 PolarHBondContact O-N 3.48Å; D3-T6 VanDerWaalsContact O-N 3.15Å; D3-T6 VanDerWaalsContact OD1-CB 3.32Å; D3-T6 WeakPolarHBondContact OD1-CB 2.95Å; D3-T6 PolarHBondContact OD1-N 3.06Å; D3-T6 PolarHBondContact OD1-OG1 2.75Å; D3-Q7 PolarHBondContact O-N 2.7Å
4I93.3Very high89.8Confident16 Ų1666 Ų668%0.08235%0.348CS..Hα-helixtrans-56.9-31.6-178.9-176.656.4000112.1Q7 C8 V16 W19 P37I4-Q7 PolarHBondContact O-N 3.2Å; I4-C8 WeakPolarHBondContact O-CB 3.49Å; I4-C8 PolarHBondContact O-N 3.26Å; I4-C8 PolarHBondContact O-SG 3.1Å; I4-C8 VanDerWaalsContact O-SG 3.33Å; I4-V16 HydrophobicContact CD1-CB 4.34Å; I4-V16 HydrophobicContact CD1-CG1 4.35Å; I4-V16 HydrophobicContact CD1-CG2 4.01Å; I4-W19 HydrophobicContact CB-CD2 3.96Å; I4-W19 HydrophobicContact CB-CG 4.18Å; I4-W19 HydrophobicContact CB-CZ2 4.09Å; I4-W19 HydrophobicContact CD1-CB 3.81Å; I4-W19 HydrophobicContact CD1-CD2 3.61Å; I4-W19 HydrophobicContact CD1-CE3 3.76Å; I4-W19 HydrophobicContact CD1-CG 3.64Å; I4-W19 HydrophobicContact CG1-CD2 3.56Å; I4-W19 HydrophobicContact CG1-CE3 3.71Å; I4-W19 HydrophobicContact CG1-CG 4.01Å; I4-W19 HydrophobicContact CG1-CH2 4.19Å; I4-W19 HydrophobicContact CG1-CZ2 4.1Å; I4-W19 HydrophobicContact CG1-CZ3 4.02Å; I4-W19 HydrophobicContact CG2-CH2 4.37Å; I4-W19 HydrophobicContact CG2-CZ2 3.83Å; I4-P37 HydrophobicContact CG1-CG 4.26Å
5F94.2Very high90.1Very high32 Ų3262.7 Ų62.714%0.1433%0.334CS..Hα-helixtrans-66.1-42.8-179.1-51.6-63.9000110.9D3 C8 R9 D31 F35 P37 W40D3-F5 HydrophobicContact CB-CD2 4.4Å; D3-F5 PolarHBondContact O-N 2.89Å; D3-F5 VanDerWaalsContact O-N 3.14Å; D3-F5 PolarHBondContact OD1-N 2.98Å; F5-C8 PolarHBondContact O-N 3.46Å; F5-R9 VanDerWaalsContact O-CG 3.23Å; F5-R9 WeakPolarHBondContact O-CG 3.36Å; F5-R9 PolarHBondContact O-N 3.13Å; F5-D31 HydrophobicContact CD1-CB 4.35Å; F5-D31 HydrophobicContact CD2-CB 3.92Å; F5-D31 HydrophobicContact CE1-CB 4.06Å; F5-D31 HydrophobicContact CE2-CB 3.63Å; F5-D31 HydrophobicContact CG-CB 4.27Å; F5-D31 HydrophobicContact CZ-CB 3.71Å; F5-D31 VanDerWaalsContact CZ-N 3.3Å; F5-F35 WeakPolarHBondContact CE1-O 3.33Å; F5-P37 HydrophobicContact CD1-CG 4.47Å; F5-P37 HydrophobicContact CE1-CG 4.23Å; F5-W40 AromaticContact CD1-CD1 3.63Å; F5-W40 AromaticContact CD1-NE1 3.96Å
6T95.6Very high90.4Very high36 Ų3658.8 Ų58.822%0.22131%0.314CS..Hα-helixtrans-61-47.1174.1-56.90000110.6D2 D3 C8 R9 E10D2-T6 HydrophobicContact CB-CG2 3.86Å; D3-T6 PolarHBondContact O-N 3.48Å; D3-T6 VanDerWaalsContact O-N 3.15Å; D3-T6 VanDerWaalsContact OD1-CB 3.32Å; D3-T6 WeakPolarHBondContact OD1-CB 2.95Å; D3-T6 PolarHBondContact OD1-N 3.06Å; D3-T6 PolarHBondContact OD1-OG1 2.75Å; T6-C8 VanDerWaalsContact C-N 3.31Å; T6-C8 PolarHBondContact O-N 2.95Å; T6-R9 WeakPolarHBondContact O-CB 3.43Å; T6-R9 PolarHBondContact O-N 2.84Å; T6-R9 VanDerWaalsContact O-N 3.08Å; T6-E10 HydrophobicContact CG2-CG 4.46Å; T6-E10 WeakPolarHBondContact O-CG 3.43Å; T6-E10 PolarHBondContact O-N 2.66Å
7Q95.7Very high90.6Very high13 Ų1362.9 Ų62.96%0.06132%0.324CS..Hα-helixtrans-61.2-38.8177.5-59.8-58.7-42.200112.3D2 D3 I4 G11 N12 A15 V16D2-Q7 PolarHBondContact OD2-NE2 2.63Å; D3-Q7 PolarHBondContact O-N 2.7Å; I4-Q7 PolarHBondContact O-N 3.2Å; Q7-G11 PolarHBondContact O-N 3.14Å; Q7-N12 HydrophobicContact CB-CB 4.48Å; Q7-N12 PolarHBondContact O-N 3.22Å; Q7-N12 PolarHBondContact OE1-ND2 2.97Å; Q7-A15 HydrophobicContact CB-CB 4.14Å; Q7-A15 HydrophobicContact CG-CB 3.84Å; Q7-V16 HydrophobicContact CB-CG2 4.11Å
8C96.2Very high90.7Very high0 Ų065.4 Ų65.40%034%0.337CS..Hα-helixtrans-67.4-36.9173.7-73.50000112.8I4 F5 T6 G11 W40 R46 V49I4-C8 WeakPolarHBondContact O-CB 3.49Å; I4-C8 PolarHBondContact O-N 3.26Å; I4-C8 PolarHBondContact O-SG 3.1Å; I4-C8 VanDerWaalsContact O-SG 3.33Å; F5-C8 PolarHBondContact O-N 3.46Å; T6-C8 VanDerWaalsContact C-N 3.31Å; T6-C8 PolarHBondContact O-N 2.95Å; C8-G11 PolarHBondContact O-N 2.89Å; C8-W40 HydrophobicContact CB-CB 4.32Å; C8-R46 WeakPolarHBondContact O-CG 3.38Å; C8-V49 HydrophobicContact CB-CG1 4.39Å
9R95.7Very high90.8Very high107 Ų10764.7 Ų64.740%0.40433%0.33SS..Hα-helixtrans-69.4-39.4177-72.2172.667.4-161.3-3.8112.5F5 T6 G11 W40 E44 R46F5-R9 VanDerWaalsContact O-CG 3.23Å; F5-R9 WeakPolarHBondContact O-CG 3.36Å; F5-R9 PolarHBondContact O-N 3.13Å; T6-R9 WeakPolarHBondContact O-CB 3.43Å; T6-R9 PolarHBondContact O-N 2.84Å; T6-R9 VanDerWaalsContact O-N 3.08Å; R9-G11 VanDerWaalsContact C-N 3.29Å; R9-W40 HydrophobicContact CG-CB 3.87Å; R9-W40 HydrophobicContact CG-CD2 3.92Å; R9-W40 HydrophobicContact CG-CE3 3.65Å; R9-W40 HydrophobicContact CG-CG 4.05Å; R9-W40 HydrophobicContact CG-CZ3 4.49Å; R9-E44 HydrophobicContact CB-CG 3.92Å; R9-E44 HydrophobicContact CG-CG 3.92Å; R9-E44 IonicContact NE-OE1 3.06Å; R9-R46 VanDerWaalsContact O-CZ 3.32Å; R9-R46 PolarHBondContact O-NE 2.93Å; R9-R46 PolarHBondContact O-NH2 3.33Å
10E95.7Very high90.8Very high113 Ų11361.7 Ų61.753%0.52831%0.314SS..Hα-helixtrans-75.4-21.1177.7-69.1-179.2172.500112.5T6T6-E10 HydrophobicContact CG2-CG 4.46Å; T6-E10 WeakPolarHBondContact O-CG 3.43Å; T6-E10 PolarHBondContact O-N 2.66Å
11G95.4Very high90.6Very high27 Ų2763 Ų6328%0.27832%0.322SS..THydrogen-bonded Turntrans82.922.3-177.500000113.3Q7 C8 R9 A13Q7-G11 PolarHBondContact O-N 3.14Å; C8-G11 PolarHBondContact O-N 2.89Å; R9-G11 VanDerWaalsContact C-N 3.29Å; G11-A13 VanDerWaalsContact C-N 3.29Å; G11-A13 PolarHBondContact O-N 3.16Å
12N96.1Very high92.4Very high65 Ų6556.3 Ų56.335%0.34829%0.29SS..  trans-73.782179.3-172.1-12.7000111.1Q7 V14 A15 V16Q7-N12 HydrophobicContact CB-CB 4.48Å; Q7-N12 PolarHBondContact O-N 3.22Å; Q7-N12 PolarHBondContact OE1-ND2 2.97Å; N12-V14 PolarHBondContact O-N 2.93Å; N12-V14 VanDerWaalsContact O-N 3.15Å; N12-V14 PolarHBondContact OD1-N 3.49Å; N12-A15 HydrophobicContact CB-CB 4.16Å; N12-A15 WeakPolarHBondContact ND2-CB 3.14Å; N12-A15 PolarHBondContact O-N 3.41Å; N12-A15 PolarHBondContact OD1-N 3.37Å; N12-A15 VanDerWaalsContact OD1-N 3.14Å; N12-V16 WeakPolarHBondContact O-CG2 3.33Å; N12-V16 PolarHBondContact O-N 3.15Å
13A94.8Very high93.1Very high28 Ų2853.8 Ų53.823%0.23128%0.279CS..Hα-helixtrans-58.2-28.7-177.400000113.5G11 R17 V49 M52G11-A13 VanDerWaalsContact C-N 3.29Å; G11-A13 PolarHBondContact O-N 3.16Å; A13-R17 VanDerWaalsContact O-CB 3.26Å; A13-R17 WeakPolarHBondContact O-CB 3.22Å; A13-R17 PolarHBondContact O-N 2.83Å; A13-V49 HydrophobicContact CB-CG2 4.4Å; A13-M52 HydrophobicContact CB-CE 3.9Å; A13-M52 WeakPolarHBondContact O-CE 3.41Å
14V95.1Very high92.8Very high94 Ų9455.7 Ų55.757%0.5729%0.285SS*.Hα-helixtrans-71.9-48.8178.5179.40000110.5N12 V16 R17 L18N12-V14 PolarHBondContact O-N 2.93Å; N12-V14 VanDerWaalsContact O-N 3.15Å; N12-V14 PolarHBondContact OD1-N 3.49Å; V14-V16 VanDerWaalsContact C-N 3.35Å; V14-V16 PolarHBondContact O-N 2.93Å; V14-R17 PolarHBondContact O-N 3.19Å; V14-L18 HydrophobicContact CG1-CD1 4.23Å; V14-L18 WeakPolarHBondContact O-CG 3.33Å; V14-L18 PolarHBondContact O-N 3.19Å
15A95.3Very high92.5Very high17 Ų1756.6 Ų56.614%0.1429%0.29CS..Hα-helixtrans-63.4-42177.600000111.7Q7 N12 R17 L18 W19Q7-A15 HydrophobicContact CB-CB 4.14Å; Q7-A15 HydrophobicContact CG-CB 3.84Å; N12-A15 HydrophobicContact CB-CB 4.16Å; N12-A15 WeakPolarHBondContact ND2-CB 3.14Å; N12-A15 PolarHBondContact O-N 3.41Å; N12-A15 PolarHBondContact OD1-N 3.37Å; N12-A15 VanDerWaalsContact OD1-N 3.14Å; A15-R17 VanDerWaalsContact C-N 3.35Å; A15-R17 PolarHBondContact O-N 3.44Å; A15-L18 PolarHBondContact O-N 3.34Å; A15-W19 WeakPolarHBondContact O-CB 2.97Å; A15-W19 PolarHBondContact O-N 2.93Å
16V94.7Very high92Very high0 Ų055.7 Ų55.70%029%0.286CS..Hα-helixtrans-60.5-44.6175175.50000110.8I4 Q7 N12 V14 W19 L20 V49 M52 L53I4-V16 HydrophobicContact CD1-CB 4.34Å; I4-V16 HydrophobicContact CD1-CG1 4.35Å; I4-V16 HydrophobicContact CD1-CG2 4.01Å; Q7-V16 HydrophobicContact CB-CG2 4.11Å; N12-V16 WeakPolarHBondContact O-CG2 3.33Å; N12-V16 PolarHBondContact O-N 3.15Å; V14-V16 VanDerWaalsContact C-N 3.35Å; V14-V16 PolarHBondContact O-N 2.93Å; V16-W19 PolarHBondContact O-N 2.95Å; V16-L20 HydrophobicContact CG1-CD1 3.75Å; V16-L20 HydrophobicContact CG1-CG 4.26Å; V16-L20 WeakPolarHBondContact O-CB 3.4Å; V16-L20 WeakPolarHBondContact O-CG 3.33Å; V16-L20 PolarHBondContact O-N 3.33Å; V16-V49 HydrophobicContact CG1-CG1 4.23Å; V16-V49 HydrophobicContact CG2-CG1 4.14Å; V16-M52 HydrophobicContact CG1-SD 4.24Å; V16-L53 HydrophobicContact CG1-CD2 4.28Å
17R93.1Very high91.6Very high128 Ų12854 Ų5448%0.48328%0.276SS..Hα-helixtrans-59.8-50.8177.3-173.9-176.7-61.5166.90.6112.1A13 V14 A15 W19 L20 D21 M52A13-R17 VanDerWaalsContact O-CB 3.26Å; A13-R17 WeakPolarHBondContact O-CB 3.22Å; A13-R17 PolarHBondContact O-N 2.83Å; V14-R17 PolarHBondContact O-N 3.19Å; A15-R17 VanDerWaalsContact C-N 3.35Å; A15-R17 PolarHBondContact O-N 3.44Å; R17-W19 VanDerWaalsContact C-N 3.26Å; R17-W19 PolarHBondContact O-N 3.05Å; R17-L20 PolarHBondContact O-N 3.35Å; R17-L20 VanDerWaalsContact O-N 3.11Å; R17-D21 PolarHBondContact O-N 2.92Å; R17-M52 HydrophobicContact CB-CE 4.25Å; R17-M52 HydrophobicContact CB-SD 3.79Å; R17-M52 HydrophobicContact CG-SD 4.39Å
18L92.9Very high91.1Very high108 Ų10853.8 Ų53.857%0.56528%0.275SS*.Hα-helixtrans-59.9-38.9179.1-70.9172.7000111.8V14 A15 D21V14-L18 HydrophobicContact CG1-CD1 4.23Å; V14-L18 WeakPolarHBondContact O-CG 3.33Å; V14-L18 PolarHBondContact O-N 3.19Å; A15-L18 PolarHBondContact O-N 3.34Å; L18-D21 PolarHBondContact O-N 3.1Å
19W93.3Very high90.5Very high52 Ų5255.8 Ų55.820%0.19728%0.284CS..Hα-helixtrans-64.8-43.1174.9-175.792.3000111.7I4 A15 V16 R17 D21 N22 N25 D26 L27I4-W19 HydrophobicContact CB-CD2 3.96Å; I4-W19 HydrophobicContact CB-CG 4.18Å; I4-W19 HydrophobicContact CB-CZ2 4.09Å; I4-W19 HydrophobicContact CD1-CB 3.81Å; I4-W19 HydrophobicContact CD1-CD2 3.61Å; I4-W19 HydrophobicContact CD1-CE3 3.76Å; I4-W19 HydrophobicContact CD1-CG 3.64Å; I4-W19 HydrophobicContact CG1-CD2 3.56Å; I4-W19 HydrophobicContact CG1-CE3 3.71Å; I4-W19 HydrophobicContact CG1-CG 4.01Å; I4-W19 HydrophobicContact CG1-CH2 4.19Å; I4-W19 HydrophobicContact CG1-CZ2 4.1Å; I4-W19 HydrophobicContact CG1-CZ3 4.02Å; I4-W19 HydrophobicContact CG2-CH2 4.37Å; I4-W19 HydrophobicContact CG2-CZ2 3.83Å; A15-W19 WeakPolarHBondContact O-CB 2.97Å; A15-W19 PolarHBondContact O-N 2.93Å; V16-W19 PolarHBondContact O-N 2.95Å; R17-W19 VanDerWaalsContact C-N 3.26Å; R17-W19 PolarHBondContact O-N 3.05Å; W19-D21 PolarHBondContact O-N 2.99Å; W19-N22 PolarHBondContact O-N 3.47Å; W19-N25 HydrophobicContact CD2-CB 3.89Å; W19-N25 HydrophobicContact CE3-CB 4.07Å; W19-N25 HydrophobicContact CH2-CB 3.82Å; W19-N25 HydrophobicContact CZ2-CB 3.58Å; W19-N25 HydrophobicContact CZ3-CB 4.04Å; W19-N25 PolarHBondContact NE1-ND2 3.23Å; W19-N25 PolarHBondContact NE1-OD1 3.18Å; W19-N25 PolarHBondContact O-ND2 2.93Å; W19-D26 WeakPolarHBondContact CH2-O 3.45Å; W19-L27 HydrophobicContact CZ3-CB 4.07Å
20L89.5Confident90.2Very high5 Ų551 Ų513%0.02627%0.269CS..Hα-helixtrans-69-20.6178-68.7169.8000113.7V16 R17 N22 L27 M52 L53 R56V16-L20 HydrophobicContact CG1-CD1 3.75Å; V16-L20 HydrophobicContact CG1-CG 4.26Å; V16-L20 WeakPolarHBondContact O-CB 3.4Å; V16-L20 WeakPolarHBondContact O-CG 3.33Å; V16-L20 PolarHBondContact O-N 3.33Å; R17-L20 PolarHBondContact O-N 3.35Å; R17-L20 VanDerWaalsContact O-N 3.11Å; L20-N22 VanDerWaalsContact C-N 3.28Å; L20-L27 HydrophobicContact CD2-CB 3.46Å; L20-L27 VanDerWaalsContact CD2-CB 3.46Å; L20-L27 HydrophobicContact CD2-CD2 4.09Å; L20-L27 HydrophobicContact CD2-CG 4.42Å; L20-M52 HydrophobicContact CD1-CG 4.21Å; L20-M52 HydrophobicContact CD1-SD 4.16Å; L20-L53 HydrophobicContact CD1-CD2 4.05Å; L20-L53 HydrophobicContact CD2-CD2 4.23Å; L20-R56 HydrophobicContact CD1-CB 4.23Å; L20-R56 HydrophobicContact CD1-CG 3.96Å
21D87.9Confident89.9Confident89 Ų8947 Ų4748%0.47625%0.251SS..THydrogen-bonded Turntrans-77.5-14.7178.1-64.3-17.6000112.2R17 L18 W19 R56R17-D21 PolarHBondContact O-N 2.92Å; L18-D21 PolarHBondContact O-N 3.1Å; W19-D21 PolarHBondContact O-N 2.99Å; D21-R56 IonicContact OD1-CZ 2.86Å; D21-R56 VanDerWaalsContact OD1-CZ 3.3Å; D21-R56 IonicContact OD1-NH1 3.76Å; D21-R56 PolarHBondContact OD1-NH1 3.27Å; D21-R56 IonicContact OD1-NH2 3.48Å; D21-R56 PolarHBondContact OD1-NH2 3.46Å
22N88.3Confident89.5Confident68 Ų6852 Ų5236%0.36427%0.272SS..SBendtrans-82.4121.6170.9-178.8-5.7000110.7W19 L20 E24 N25W19-N22 PolarHBondContact O-N 3.47Å; L20-N22 VanDerWaalsContact C-N 3.28Å; N22-E24 PolarHBondContact O-N 3.06Å; N22-E24 PolarHBondContact OD1-N 3.36Å; N22-E24 VanDerWaalsContact OD1-N 3.1Å; N22-N25 WeakPolarHBondContact O-CB 3.48Å; N22-N25 PolarHBondContact O-N 3.03Å; N22-N25 VanDerWaalsContact O-N 3.13Å
23T82.2Confident89.1Confident43 Ų4354.7 Ų54.726%0.26428%0.281SS..THydrogen-bonded Turntrans-66.2-22-174.657.10000115.1N25 I244 F245 S246 F307 L311T23-N25 VanDerWaalsContact C-N 3.31Å; T23-I244 HydrophobicContact CG2-CG2 4.45Å; T23-F245 PolarHBondContact O-N 3.45Å; T23-S246 WeakPolarHBondContact CA-OG 3.42Å; T23-S246 PolarHBondContact O-N 2.9Å; T23-F307 HydrophobicContact CG2-CZ 4.06Å; T23-L311 HydrophobicContact CG2-CD2 3.79Å
24E83Confident88.7Confident128 Ų12853.5 Ų53.560%0.59827%0.272SS*.THydrogen-bonded Turntrans-77.8-19.7178-61-172.916200112.6N22 F245N22-E24 PolarHBondContact O-N 3.06Å; N22-E24 PolarHBondContact OD1-N 3.36Å; N22-E24 VanDerWaalsContact OD1-N 3.1Å; E24-F245 WeakPolarHBondContact O-CD2 3.23Å
25N87.9Confident88.6Confident36 Ų3650.8 Ų50.819%0.19325%0.253CS..  trans-78.5126.6-179.3-75.6-26.5000110.6W19 N22 T23 F245 S246W19-N25 HydrophobicContact CD2-CB 3.89Å; W19-N25 HydrophobicContact CE3-CB 4.07Å; W19-N25 HydrophobicContact CH2-CB 3.82Å; W19-N25 HydrophobicContact CZ2-CB 3.58Å; W19-N25 HydrophobicContact CZ3-CB 4.04Å; W19-N25 PolarHBondContact NE1-ND2 3.23Å; W19-N25 PolarHBondContact NE1-OD1 3.18Å; W19-N25 PolarHBondContact O-ND2 2.93Å; N22-N25 WeakPolarHBondContact O-CB 3.48Å; N22-N25 PolarHBondContact O-N 3.03Å; N22-N25 VanDerWaalsContact O-N 3.13Å; T23-N25 VanDerWaalsContact C-N 3.31Å; N25-F245 CarbonylContact O-C 3.55Å; N25-S246 VanDerWaalsContact O-CA 3.3Å; N25-S246 WeakPolarHBondContact O-CA 3.41Å; N25-S246 PolarHBondContact O-N 3.23Å
26D83.8Confident88.5Confident13 Ų1350 Ų507%0.0725%0.246CC..  trans-98.7108.5173-171.7-7000111.2W19 N28 Q29 T181 N183 F245W19-D26 WeakPolarHBondContact CH2-O 3.45Å; D26-N28 PolarHBondContact O-N 3.16Å; D26-N28 VanDerWaalsContact O-N 3.09Å; D26-N28 WeakPolarHBondContact OD1-CB 3.36Å; D26-N28 PolarHBondContact OD1-N 2.87Å; D26-Q29 HydrophobicContact CB-CB 4.07Å; D26-Q29 VanDerWaalsContact O-CB 3.23Å; D26-Q29 WeakPolarHBondContact O-CB 3.42Å; D26-Q29 PolarHBondContact O-N 2.84Å; D26-T181 WeakPolarHBondContact OD2-CB 3.42Å; D26-T181 WeakPolarHBondContact OD2-CG2 3.31Å; D26-T181 PolarHBondContact OD2-OG1 3.35Å; D26-N183 WeakPolarHBondContact CB-ND2 3.47Å; D26-N183 VanDerWaalsContact CG-ND2 3.31Å; D26-N183 PolarHBondContact OD2-ND2 3.12Å; D26-F245 HydrophobicContact CB-CB 3.58Å; D26-F245 HydrophobicContact CB-CG 4.22Å
27L87Confident88.5Confident1 Ų150 Ų501%0.00525%0.246CC..THydrogen-bonded Turntrans-62.2-13.7176.768.590.7000114.6W19 L20 P37 R56 A58W19-L27 HydrophobicContact CZ3-CB 4.07Å; L20-L27 HydrophobicContact CD2-CB 3.46Å; L20-L27 VanDerWaalsContact CD2-CB 3.46Å; L20-L27 HydrophobicContact CD2-CD2 4.09Å; L20-L27 HydrophobicContact CD2-CG 4.42Å; L27-P37 VanDerWaalsContact O-CD 3.29Å; L27-P37 WeakPolarHBondContact O-CD 3.27Å; L27-R56 HydrophobicContact CD2-CB 4.29Å; L27-R56 WeakPolarHBondContact CD2-O 3.04Å; L27-A58 HydrophobicContact CD1-CB 3.72Å
28N85.3Confident88.6Confident8 Ų844 Ų444%0.04322%0.223CC..THydrogen-bonded Turntrans-97.9-4.4175.9-60.1-68.9000113.2D26 G30 R59D26-N28 PolarHBondContact O-N 3.16Å; D26-N28 VanDerWaalsContact O-N 3.09Å; D26-N28 WeakPolarHBondContact OD1-CB 3.36Å; D26-N28 PolarHBondContact OD1-N 2.87Å; N28-G30 PolarHBondContact O-N 3.36Å; N28-R59 WeakPolarHBondContact OD1-CB 3.32Å; N28-R59 WeakPolarHBondContact OD1-CG 3.38Å; N28-R59 PolarHBondContact OD1-N 3.26Å
29Q84.3Confident88.8Confident41 Ų4138.8 Ų38.819%0.19220%0.196CC..  trans-65.3123.4176-179.263.26600110D26 P37 G180 T181D26-Q29 HydrophobicContact CB-CB 4.07Å; D26-Q29 VanDerWaalsContact O-CB 3.23Å; D26-Q29 WeakPolarHBondContact O-CB 3.42Å; D26-Q29 PolarHBondContact O-N 2.84Å; Q29-P37 WeakPolarHBondContact O-CD 3.41Å; Q29-G180 PolarHBondContact NE2-O 3.17Å; Q29-T181 PolarHBondContact OE1-O 3.25Å
30G87.7Confident89Confident7 Ų738 Ų387%0.07219%0.193CC..  trans-77.7158.417200000112.8N28 F35N28-G30 PolarHBondContact O-N 3.36Å; G30-F35 CarbonylContact C-O 3.44Å; G30-F35 WeakPolarHBondContact CA-O 3.41Å
31D89.7Confident89.4Confident29 Ų2937.8 Ų37.816%0.15519%0.192CC..  trans-68.2-172.4163.467.811.3000111.8F5 H33 G34 F35 W40F5-D31 HydrophobicContact CD1-CB 4.35Å; F5-D31 HydrophobicContact CD2-CB 3.92Å; F5-D31 HydrophobicContact CE1-CB 4.06Å; F5-D31 HydrophobicContact CE2-CB 3.63Å; F5-D31 HydrophobicContact CG-CB 4.27Å; F5-D31 HydrophobicContact CZ-CB 3.71Å; F5-D31 VanDerWaalsContact CZ-N 3.3Å; D31-H33 PolarHBondContact O-N 3.46Å; D31-H33 VanDerWaalsContact OD1-CA 3.31Å; D31-H33 WeakPolarHBondContact OD1-CA 3.47Å; D31-H33 WeakPolarHBondContact OD1-CB 3.25Å; D31-H33 PolarHBondContact OD1-N 3.25Å; D31-G34 PolarHBondContact O-N 2.9Å; D31-G34 PolarHBondContact OD1-N 3.21Å; D31-F35 PolarHBondContact N-O 3.36Å; D31-F35 PolarHBondContact OD1-N 2.93Å; D31-W40 VanDerWaalsContact OD2-CZ2 3.28Å; D31-W40 WeakPolarHBondContact OD2-CZ2 3.41Å; D31-W40 PolarHBondContact OD2-NE1 3.3Å
32D87.9Confident89.9Confident133 Ų13333.5 Ų33.571%0.71117%0.169SC*.THydrogen-bonded Turntrans-62.9-12.8179.5-69.2-19000113.5R65D32-R65 PolarHBondContact O-NE 3.1Å; D32-R65 VanDerWaalsContact O-NE 3.11Å; D32-R65 PolarHBondContact O-NH1 3.33Å; D32-R65 PolarHBondContact O-NH2 3.34Å
33H87.2Confident90.4Very high120 Ų12034.1 Ų34.156%0.55617%0.167SC*.THydrogen-bonded Turntrans-104.85.7174.1-59.6-64.4000112.9D31 F35 R65D31-H33 PolarHBondContact O-N 3.46Å; D31-H33 VanDerWaalsContact OD1-CA 3.31Å; D31-H33 WeakPolarHBondContact OD1-CA 3.47Å; D31-H33 WeakPolarHBondContact OD1-CB 3.25Å; D31-H33 PolarHBondContact OD1-N 3.25Å; H33-F35 VanDerWaalsContact C-N 3.31Å; H33-F35 HydrophobicContact CB-CD2 3.72Å; H33-F35 HydrophobicContact CB-CE2 3.99Å; H33-R65 WeakPolarHBondContact O-CB 3.33Å; H33-R65 VanDerWaalsContact O-CG 3.3Å; H33-R65 WeakPolarHBondContact O-CG 3.41Å; H33-R65 PolarHBondContact O-N 3.22Å
34G87.2Confident91.1Very high3 Ų334.6 Ų34.63%0.03117%0.166CC..SBendtrans79.97.4-178.500000114.1D31 S36 N64D31-G34 PolarHBondContact O-N 2.9Å; D31-G34 PolarHBondContact OD1-N 3.21Å; G34-S36 PolarHBondContact O-N 3.02Å; G34-N64 WeakPolarHBondContact O-CA 3.41Å
35F92.7Very high91.8Very high38 Ų3829.5 Ų29.517%0.16715%0.148CC..  trans-77.3113.7177.5-73.5-113.5000109.7F5 G30 D31 H33 H39 W40 N64 L73F5-F35 WeakPolarHBondContact CE1-O 3.33Å; G30-F35 CarbonylContact C-O 3.44Å; G30-F35 WeakPolarHBondContact CA-O 3.41Å; D31-F35 PolarHBondContact N-O 3.36Å; D31-F35 PolarHBondContact OD1-N 2.93Å; H33-F35 VanDerWaalsContact C-N 3.31Å; H33-F35 HydrophobicContact CB-CD2 3.72Å; H33-F35 HydrophobicContact CB-CE2 3.99Å; F35-H39 HydrophobicContact CB-CB 4.08Å; F35-H39 HydrophobicContact CD1-CB 3.72Å; F35-H39 HydrophobicContact CG-CB 4.3Å; F35-W40 HydrophobicContact CB-CZ2 4.17Å; F35-W40 VanDerWaalsContact CB-NE1 3.31Å; F35-W40 HydrophobicContact CD1-CZ2 4.33Å; F35-W40 HydrophobicContact CG-CZ2 4.19Å; F35-N64 HydrophobicContact CD2-CB 3.86Å; F35-N64 WeakPolarHBondContact CE1-ND2 3.44Å; F35-N64 HydrophobicContact CE2-CB 4Å; F35-N64 WeakPolarHBondContact CE2-ND2 3.33Å; F35-N64 HydrophobicContact CG-CB 4.22Å; F35-N64 HydrophobicContact CZ-CB 4.48Å; F35-N64 WeakPolarHBondContact CZ-ND2 3.29Å; F35-L73 HydrophobicContact CD1-CD1 3.85Å; F35-L73 HydrophobicContact CE1-CD1 3.58Å; F35-L73 HydrophobicContact CE1-CD2 4.21Å
36S92.6Very high92.3Very high1 Ų132.3 Ų32.31%0.00716%0.156CC..  trans-68.9163.3170.473.80000112.2G34 L38 H39 W40 V62G34-S36 PolarHBondContact O-N 3.02Å; S36-L38 PolarHBondContact O-N 2.84Å; S36-L38 VanDerWaalsContact O-N 3.14Å; S36-L38 PolarHBondContact OG-N 3.21Å; S36-H39 PolarHBondContact N-ND1 3.15Å; S36-H39 WeakPolarHBondContact O-CB 3.23Å; S36-H39 PolarHBondContact O-N 2.92Å; S36-H39 PolarHBondContact OG-N 3.31Å; S36-H39 PolarHBondContact OG-ND1 3.47Å; S36-W40 PolarHBondContact O-N 2.99Å; S36-V62 WeakPolarHBondContact OG-CG1 3.45Å
37P94.8Very high92.9Very high0 Ų033 Ų330%016%0.162CC..Hα-helixtrans-47.8-38.2169.2-31.337.6000113.7I4 F5 L27 Q29 W40 A41 L53I4-P37 HydrophobicContact CG1-CG 4.26Å; F5-P37 HydrophobicContact CD1-CG 4.47Å; F5-P37 HydrophobicContact CE1-CG 4.23Å; L27-P37 VanDerWaalsContact O-CD 3.29Å; L27-P37 WeakPolarHBondContact O-CD 3.27Å; Q29-P37 WeakPolarHBondContact O-CD 3.41Å; P37-W40 PolarHBondContact O-N 2.77Å; P37-A41 WeakPolarHBondContact O-CB 3.34Å; P37-A41 PolarHBondContact O-N 2.92Å; P37-L53 HydrophobicContact CB-CD1 3.93Å; P37-L53 HydrophobicContact CB-CD2 3.98Å
38L96Very high93.3Very high0 Ų036.1 Ų36.10%019%0.187CC..Hα-helixtrans-66.8-39.8178.8-176.562.4000111.8S36 W40 A41 C42 V50 L53 I54 A58 I60 P70S36-L38 PolarHBondContact O-N 2.84Å; S36-L38 VanDerWaalsContact O-N 3.14Å; S36-L38 PolarHBondContact OG-N 3.21Å; L38-W40 VanDerWaalsContact C-N 3.35Å; L38-W40 PolarHBondContact O-N 3.16Å; L38-A41 PolarHBondContact O-N 3.37Å; L38-C42 VanDerWaalsContact O-CB 3.26Å; L38-C42 WeakPolarHBondContact O-CB 3.49Å; L38-C42 PolarHBondContact O-N 3.12Å; L38-C42 PolarHBondContact O-SG 2.87Å; L38-V50 HydrophobicContact CD1-CB 4.47Å; L38-V50 HydrophobicContact CD1-CG1 4.04Å; L38-V50 HydrophobicContact CD1-CG2 4.42Å; L38-L53 HydrophobicContact CB-CD1 4.32Å; L38-L53 HydrophobicContact CD1-CB 4.23Å; L38-L53 HydrophobicContact CD1-CD1 4.43Å; L38-I54 HydrophobicContact CD1-CG1 4.14Å; L38-A58 HydrophobicContact CB-CB 4.11Å; L38-A58 HydrophobicContact CD2-CB 3.78Å; L38-A58 HydrophobicContact CG-CB 4.37Å; L38-I60 HydrophobicContact CD2-CD1 4.42Å; L38-P70 HydrophobicContact CB-CG 4.38Å; L38-P70 HydrophobicContact CD2-CB 4.16Å; L38-P70 HydrophobicContact CD2-CG 3.78Å; L38-P70 HydrophobicContact CG-CB 3.97Å; L38-P70 HydrophobicContact CG-CG 3.84Å
39H96.8Very high93.9Very high0 Ų035.9 Ų35.90%019%0.186CC..Hα-helixtrans-58-48.6174.9-71.9100.3000111.6F35 S36 C42 R43 V62 D68 L73F35-H39 HydrophobicContact CB-CB 4.08Å; F35-H39 HydrophobicContact CD1-CB 3.72Å; F35-H39 HydrophobicContact CG-CB 4.3Å; S36-H39 PolarHBondContact N-ND1 3.15Å; S36-H39 WeakPolarHBondContact O-CB 3.23Å; S36-H39 PolarHBondContact O-N 2.92Å; S36-H39 PolarHBondContact OG-N 3.31Å; S36-H39 PolarHBondContact OG-ND1 3.47Å; H39-C42 PolarHBondContact O-N 3.06Å; H39-R43 WeakPolarHBondContact O-CB 3.48Å; H39-R43 PolarHBondContact O-N 2.94Å; H39-V62 PolarHBondContact NE2-O 2.97Å; H39-D68 PolarHBondContact NE2-O 3.21Å; H39-L73 HydrophobicContact CB-CD1 3.62Å
40W97.5Very high94.5Very high35 Ų3533.9 Ų33.913%0.13318%0.177CC..Hα-helixtrans-65.2-44.3-179.3-74.7115000112.3F5 C8 R9 D31 F35 S36 P37 L38 C42 R43 E44F5-W40 AromaticContact CD1-CD1 3.63Å; F5-W40 AromaticContact CD1-NE1 3.96Å; C8-W40 HydrophobicContact CB-CB 4.32Å; R9-W40 HydrophobicContact CG-CB 3.87Å; R9-W40 HydrophobicContact CG-CD2 3.92Å; R9-W40 HydrophobicContact CG-CE3 3.65Å; R9-W40 HydrophobicContact CG-CG 4.05Å; R9-W40 HydrophobicContact CG-CZ3 4.49Å; D31-W40 VanDerWaalsContact OD2-CZ2 3.28Å; D31-W40 WeakPolarHBondContact OD2-CZ2 3.41Å; D31-W40 PolarHBondContact OD2-NE1 3.3Å; F35-W40 HydrophobicContact CB-CZ2 4.17Å; F35-W40 VanDerWaalsContact CB-NE1 3.31Å; F35-W40 HydrophobicContact CD1-CZ2 4.33Å; F35-W40 HydrophobicContact CG-CZ2 4.19Å; S36-W40 PolarHBondContact O-N 2.99Å; P37-W40 PolarHBondContact O-N 2.77Å; L38-W40 VanDerWaalsContact C-N 3.35Å; L38-W40 PolarHBondContact O-N 3.16Å; W40-C42 VanDerWaalsContact C-N 3.33Å; W40-C42 PolarHBondContact O-N 3.42Å; W40-R43 PolarHBondContact O-N 3.05Å; W40-E44 WeakPolarHBondContact O-CG 3.4Å; W40-E44 PolarHBondContact O-N 2.86Å
41A97.8Very high94.9Very high0 Ų038 Ų380%019%0.194CC..Hα-helixtrans-62.3-39.917600000112.3P37 L38 G45 R46 V49 V50 L53P37-A41 WeakPolarHBondContact O-CB 3.34Å; P37-A41 PolarHBondContact O-N 2.92Å; L38-A41 PolarHBondContact O-N 3.37Å; A41-G45 PolarHBondContact O-N 3.28Å; A41-R46 HydrophobicContact CB-CB 4.37Å; A41-R46 PolarHBondContact O-N 3.02Å; A41-V49 HydrophobicContact CB-CB 4.15Å; A41-V49 HydrophobicContact CB-CG1 3.7Å; A41-V50 HydrophobicContact CB-CG2 3.68Å; A41-L53 HydrophobicContact CB-CD1 3.99Å
42C98.2Very high95.1Very high0 Ų037.9 Ų37.90%019%0.193CC..Hα-helixtrans-69.2-39.5176.5-74.40000112.7L38 H39 W40 P70 A74 H79 I82L38-C42 VanDerWaalsContact O-CB 3.26Å; L38-C42 WeakPolarHBondContact O-CB 3.49Å; L38-C42 PolarHBondContact O-N 3.12Å; L38-C42 PolarHBondContact O-SG 2.87Å; H39-C42 PolarHBondContact O-N 3.06Å; W40-C42 VanDerWaalsContact C-N 3.33Å; W40-C42 PolarHBondContact O-N 3.42Å; C42-P70 HydrophobicContact CB-CB 4.16Å; C42-A74 HydrophobicContact CB-CB 4.21Å; C42-H79 PolarHBondContact O-CD2 2.96Å; C42-I82 HydrophobicContact CB-CG2 4.18Å
43R97.7Very high95.4Very high80 Ų8031.5 Ų31.530%0.30216%0.159SC..Hα-helixtrans-63.5-44.3176.8-174.3-176-178.5-101-0.3112H39 W40 L73 H79H39-R43 WeakPolarHBondContact O-CB 3.48Å; H39-R43 PolarHBondContact O-N 2.94Å; W40-R43 PolarHBondContact O-N 3.05Å; R43-L73 HydrophobicContact CB-CB 4.17Å; R43-L73 HydrophobicContact CB-CD1 4.31Å; R43-H79 PolarHBondContact O-CD2 3.41Å; R43-H79 PolarHBondContact O-NE2 3.07Å
44E97.9Very high95.6Very high53 Ų5326.3 Ų26.325%0.24814%0.135CC..THydrogen-bonded Turntrans-89.24.8-174.5-58.1-60.6155.900113.8R9 W40 R46R9-E44 HydrophobicContact CB-CG 3.92Å; R9-E44 HydrophobicContact CG-CG 3.92Å; R9-E44 IonicContact NE-OE1 3.06Å; W40-E44 WeakPolarHBondContact O-CG 3.4Å; W40-E44 PolarHBondContact O-N 2.86Å; E44-R46 HydrophobicContact CB-CG 4.02Å; E44-R46 PolarHBondContact O-N 2.78Å
45G97.5Very high95.6Very high21 Ų2131.6 Ų31.622%0.21616%0.16CC..THydrogen-bonded Turntrans7328.3175.300000114.2A41 S47 H79A41-G45 PolarHBondContact O-N 3.28Å; G45-S47 PolarHBondContact O-N 3.09Å; G45-S47 VanDerWaalsContact O-N 3.13Å; G45-H79 VanDerWaalsContact CA-CE1 3.43Å; G45-H79 WeakPolarHBondContact CA-CE1 3.46Å; G45-H79 WeakPolarHBondContact CA-NE2 3.23Å; G45-H79 PolarHBondContact N-CD2 3.47Å; G45-H79 PolarHBondContact N-NE2 2.8Å; G45-H79 VanDerWaalsContact N-NE2 3.19Å
46R98Very high95.2Very high96 Ų9633.6 Ų33.636%0.36217%0.167SC..  trans-89.669.4-174.7-53.6-49.8-172.5-177.8-0.4111.6C8 R9 A41 E44 A48 V49 V50C8-R46 WeakPolarHBondContact O-CG 3.38Å; R9-R46 VanDerWaalsContact O-CZ 3.32Å; R9-R46 PolarHBondContact O-NE 2.93Å; R9-R46 PolarHBondContact O-NH2 3.33Å; A41-R46 HydrophobicContact CB-CB 4.37Å; A41-R46 PolarHBondContact O-N 3.02Å; E44-R46 HydrophobicContact CB-CG 4.02Å; E44-R46 PolarHBondContact O-N 2.78Å; R46-A48 VanDerWaalsContact C-N 3.28Å; R46-A48 PolarHBondContact O-N 2.77Å; R46-A48 VanDerWaalsContact O-N 3.13Å; R46-V49 HydrophobicContact CB-CB 3.95Å; R46-V49 HydrophobicContact CB-CG2 4.18Å; R46-V49 WeakPolarHBondContact O-CA 3.35Å; R46-V49 WeakPolarHBondContact O-CB 3.48Å; R46-V49 PolarHBondContact O-N 2.91Å; R46-V50 PolarHBondContact O-N 3.19Å
47S96.8Very high94.6Very high28 Ų2834.2 Ų34.220%0.19617%0.174CC..Hα-helixtrans-55.2-36.3-170.2-44.40000114.9G45 E51 D81G45-S47 PolarHBondContact O-N 3.09Å; G45-S47 VanDerWaalsContact O-N 3.13Å; S47-E51 WeakPolarHBondContact O-CB 3.37Å; S47-E51 PolarHBondContact O-N 3.24Å; S47-D81 WeakPolarHBondContact CB-OD2 3.38Å; S47-D81 PolarHBondContact OG-OD2 3.2Å
48A96.6Very high94.2Very high66 Ų6634.6 Ų34.655%0.54518%0.176SC..Hα-helixtrans-70-36.617600000112.6R46 M52R46-A48 VanDerWaalsContact C-N 3.28Å; R46-A48 PolarHBondContact O-N 2.77Å; R46-A48 VanDerWaalsContact O-N 3.13Å; A48-M52 WeakPolarHBondContact O-CB 3.39Å; A48-M52 PolarHBondContact O-N 3.19Å
49V97.4Very high93.8Very high2 Ų236.5 Ų36.51%0.01218%0.184CC..Hα-helixtrans-71.8-41.6174.9175.90000110.3C8 A13 V16 A41 R46 E51 M52 L53C8-V49 HydrophobicContact CB-CG1 4.39Å; A13-V49 HydrophobicContact CB-CG2 4.4Å; V16-V49 HydrophobicContact CG1-CG1 4.23Å; V16-V49 HydrophobicContact CG2-CG1 4.14Å; A41-V49 HydrophobicContact CB-CB 4.15Å; A41-V49 HydrophobicContact CB-CG1 3.7Å; R46-V49 HydrophobicContact CB-CB 3.95Å; R46-V49 HydrophobicContact CB-CG2 4.18Å; R46-V49 WeakPolarHBondContact O-CA 3.35Å; R46-V49 WeakPolarHBondContact O-CB 3.48Å; R46-V49 PolarHBondContact O-N 2.91Å; V49-E51 PolarHBondContact O-N 3.45Å; V49-M52 PolarHBondContact O-N 3.3Å; V49-L53 HydrophobicContact CG1-CD1 3.8Å; V49-L53 HydrophobicContact CG1-CG 4.2Å; V49-L53 WeakPolarHBondContact O-CB 3.23Å; V49-L53 VanDerWaalsContact O-CG 3.26Å; V49-L53 WeakPolarHBondContact O-CG 3.48Å; V49-L53 PolarHBondContact O-N 3.31Å
50V97.3Very high93.4Very high0 Ų037.6 Ų37.60%019%0.189CC..Hα-helixtrans-56.1-52.1173.7169.50000110.7L38 A41 R46 M52 L53 I54 I82L38-V50 HydrophobicContact CD1-CB 4.47Å; L38-V50 HydrophobicContact CD1-CG1 4.04Å; L38-V50 HydrophobicContact CD1-CG2 4.42Å; A41-V50 HydrophobicContact CB-CG2 3.68Å; R46-V50 PolarHBondContact O-N 3.19Å; V50-M52 VanDerWaalsContact C-N 3.33Å; V50-M52 PolarHBondContact O-N 3Å; V50-L53 PolarHBondContact O-N 2.61Å; V50-I54 HydrophobicContact CG1-CD1 3.64Å; V50-I54 HydrophobicContact CG1-CG1 4.29Å; V50-I54 WeakPolarHBondContact O-CB 3.41Å; V50-I54 VanDerWaalsContact O-CG1 3.27Å; V50-I54 WeakPolarHBondContact O-CG1 3.32Å; V50-I54 PolarHBondContact O-N 3.35Å; V50-I82 HydrophobicContact CG1-CG2 4.21Å; V50-I82 HydrophobicContact CG2-CD1 3.96Å; V50-I82 HydrophobicContact CG2-CG1 4.32Å; V50-I82 HydrophobicContact CG2-CG2 4.25Å
51E94.6Very high92.9Very high92 Ų9238.1 Ų38.143%0.4320%0.195SC..Hα-helixtrans-60.6-43.1179.6-175.2171.417200111.8S47 V49 L53 I54 M55 K85S47-E51 WeakPolarHBondContact O-CB 3.37Å; S47-E51 PolarHBondContact O-N 3.24Å; V49-E51 PolarHBondContact O-N 3.45Å; E51-L53 PolarHBondContact O-N 3.19Å; E51-I54 PolarHBondContact O-N 3.32Å; E51-M55 HydrophobicContact CG-CG 4.38Å; E51-M55 VanDerWaalsContact O-CB 3.28Å; E51-M55 WeakPolarHBondContact O-CB 3.07Å; E51-M55 WeakPolarHBondContact O-CG 3.45Å; E51-M55 PolarHBondContact O-N 2.9Å; E51-K85 IonicContact OE2-NZ 2.86Å; E51-K85 PolarHBondContact OE2-NZ 3.49Å
52M94.5Very high92.3Very high27 Ų2738.5 Ų38.513%0.13320%0.197CC..Hα-helixtrans-60.3-47175.1-172.6-176.5-53.200112A13 V16 R17 L20 A48 V49 V50 M55 R56A13-M52 HydrophobicContact CB-CE 3.9Å; A13-M52 WeakPolarHBondContact O-CE 3.41Å; V16-M52 HydrophobicContact CG1-SD 4.24Å; R17-M52 HydrophobicContact CB-CE 4.25Å; R17-M52 HydrophobicContact CB-SD 3.79Å; R17-M52 HydrophobicContact CG-SD 4.39Å; L20-M52 HydrophobicContact CD1-CG 4.21Å; L20-M52 HydrophobicContact CD1-SD 4.16Å; A48-M52 WeakPolarHBondContact O-CB 3.39Å; A48-M52 PolarHBondContact O-N 3.19Å; V49-M52 PolarHBondContact O-N 3.3Å; V50-M52 VanDerWaalsContact C-N 3.33Å; V50-M52 PolarHBondContact O-N 3Å; M52-M55 PolarHBondContact O-N 2.94Å; M52-R56 HydrophobicContact CG-CG 4.3Å; M52-R56 VanDerWaalsContact O-CB 3.23Å; M52-R56 WeakPolarHBondContact O-CB 3.26Å; M52-R56 WeakPolarHBondContact O-CG 3.47Å; M52-R56 PolarHBondContact O-N 2.92Å
53L94Very high91.8Very high0 Ų039.4 Ų39.40%020%0.201CC..Hα-helixtrans-63-44.6179.7-73.2170.9000111.4V16 L20 P37 L38 A41 V49 V50 E51 R56 G57 A58V16-L53 HydrophobicContact CG1-CD2 4.28Å; L20-L53 HydrophobicContact CD1-CD2 4.05Å; L20-L53 HydrophobicContact CD2-CD2 4.23Å; P37-L53 HydrophobicContact CB-CD1 3.93Å; P37-L53 HydrophobicContact CB-CD2 3.98Å; L38-L53 HydrophobicContact CB-CD1 4.32Å; L38-L53 HydrophobicContact CD1-CB 4.23Å; L38-L53 HydrophobicContact CD1-CD1 4.43Å; A41-L53 HydrophobicContact CB-CD1 3.99Å; V49-L53 HydrophobicContact CG1-CD1 3.8Å; V49-L53 HydrophobicContact CG1-CG 4.2Å; V49-L53 WeakPolarHBondContact O-CB 3.23Å; V49-L53 VanDerWaalsContact O-CG 3.26Å; V49-L53 WeakPolarHBondContact O-CG 3.48Å; V49-L53 PolarHBondContact O-N 3.31Å; V50-L53 PolarHBondContact O-N 2.61Å; E51-L53 PolarHBondContact O-N 3.19Å; L53-R56 CarbonylContact O-C 3.31Å; L53-R56 PolarHBondContact O-N 2.98Å; L53-G57 PolarHBondContact O-N 3.23Å; L53-A58 HydrophobicContact CB-CB 4Å; L53-A58 VanDerWaalsContact O-CB 3.25Å; L53-A58 WeakPolarHBondContact O-CB 3.38Å; L53-A58 PolarHBondContact O-N 3.28Å
54I91Very high91.4Very high11 Ų1135.8 Ų35.86%0.05619%0.188CC..Hα-helixtrans-61.1-49.3176.1-69176.2000110.7L38 V50 E51 R56 G57 I60 L86 Y89L38-I54 HydrophobicContact CD1-CG1 4.14Å; V50-I54 HydrophobicContact CG1-CD1 3.64Å; V50-I54 HydrophobicContact CG1-CG1 4.29Å; V50-I54 WeakPolarHBondContact O-CB 3.41Å; V50-I54 VanDerWaalsContact O-CG1 3.27Å; V50-I54 WeakPolarHBondContact O-CG1 3.32Å; V50-I54 PolarHBondContact O-N 3.35Å; E51-I54 PolarHBondContact O-N 3.32Å; I54-R56 PolarHBondContact O-N 3.21Å; I54-G57 WeakPolarHBondContact O-CA 3.25Å; I54-G57 PolarHBondContact O-N 3Å; I54-I60 HydrophobicContact CB-CD1 4.3Å; I54-I60 HydrophobicContact CD1-CD1 4.03Å; I54-I60 HydrophobicContact CG1-CD1 3.63Å; I54-I60 HydrophobicContact CG2-CD1 4Å; I54-L86 HydrophobicContact CD1-CD2 3.97Å; I54-Y89 HydrophobicContact CD1-CD2 4.24Å; I54-Y89 HydrophobicContact CG2-CD1 3.58Å; I54-Y89 HydrophobicContact CG2-CD2 3.64Å; I54-Y89 HydrophobicContact CG2-CE1 3.67Å; I54-Y89 HydrophobicContact CG2-CE2 3.76Å; I54-Y89 HydrophobicContact CG2-CG 3.56Å
55M87.3Confident90.9Very high113 Ų11340.9 Ų40.956%0.55721%0.205SC*.Hα-helixtrans-63.9-28.8178.5-71.6-61.1-66.400112.6E51 M52 G57 Y89E51-M55 HydrophobicContact CG-CG 4.38Å; E51-M55 VanDerWaalsContact O-CB 3.28Å; E51-M55 WeakPolarHBondContact O-CB 3.07Å; E51-M55 WeakPolarHBondContact O-CG 3.45Å; E51-M55 PolarHBondContact O-N 2.9Å; M52-M55 PolarHBondContact O-N 2.94Å; M55-G57 VanDerWaalsContact C-N 3.28Å; M55-Y89 PolarHBondContact SD-OH 2.9Å; M55-Y89 VanDerWaalsContact SD-OH 3.36Å
56R85Confident90.4Very high80 Ų8040.4 Ų40.430%0.30220%0.2SC..THydrogen-bonded Turntrans-84.91.3173.2-66.1-77.8-169.3106.3-3.6112.7L20 D21 L27 M52 L53 I54 P248L20-R56 HydrophobicContact CD1-CB 4.23Å; L20-R56 HydrophobicContact CD1-CG 3.96Å; D21-R56 IonicContact OD1-CZ 2.86Å; D21-R56 VanDerWaalsContact OD1-CZ 3.3Å; D21-R56 IonicContact OD1-NH1 3.76Å; D21-R56 PolarHBondContact OD1-NH1 3.27Å; D21-R56 IonicContact OD1-NH2 3.48Å; D21-R56 PolarHBondContact OD1-NH2 3.46Å; L27-R56 HydrophobicContact CD2-CB 4.29Å; L27-R56 WeakPolarHBondContact CD2-O 3.04Å; M52-R56 HydrophobicContact CG-CG 4.3Å; M52-R56 VanDerWaalsContact O-CB 3.23Å; M52-R56 WeakPolarHBondContact O-CB 3.26Å; M52-R56 WeakPolarHBondContact O-CG 3.47Å; M52-R56 PolarHBondContact O-N 2.92Å; L53-R56 CarbonylContact O-C 3.31Å; L53-R56 PolarHBondContact O-N 2.98Å; I54-R56 PolarHBondContact O-N 3.21Å; R56-P248 VanDerWaalsContact O-CD 3.23Å; R56-P248 WeakPolarHBondContact O-CD 3.47Å
57G79.9Confident90Very high15 Ų1535.9 Ų35.916%0.15518%0.183CC..THydrogen-bonded Turntrans97.724.3170.800000117.2L53 I54 M55 R59 P248L53-G57 PolarHBondContact O-N 3.23Å; I54-G57 WeakPolarHBondContact O-CA 3.25Å; I54-G57 PolarHBondContact O-N 3Å; M55-G57 VanDerWaalsContact C-N 3.28Å; G57-R59 PolarHBondContact O-N 2.85Å; G57-P248 VanDerWaalsContact CA-CG 3.42Å
58A87.2Confident89.9Confident7 Ų735.4 Ų35.46%0.05818%0.179CC..  trans-56.9130.5172.400000111L27 L38 L53 I60L27-A58 HydrophobicContact CD1-CB 3.72Å; L38-A58 HydrophobicContact CB-CB 4.11Å; L38-A58 HydrophobicContact CD2-CB 3.78Å; L38-A58 HydrophobicContact CG-CB 4.37Å; L53-A58 HydrophobicContact CB-CB 4Å; L53-A58 VanDerWaalsContact O-CB 3.25Å; L53-A58 WeakPolarHBondContact O-CB 3.38Å; L53-A58 PolarHBondContact O-N 3.28Å; A58-I60 WeakPolarHBondContact O-CD1 3.46Å; A58-I60 PolarHBondContact O-N 3.06Å; A58-I60 VanDerWaalsContact O-N 3.11Å
59R85.7Confident89.8Confident40 Ų4032.3 Ų32.315%0.15115%0.153CC..  trans-61.6113.5172.8-73.8179.9179.2-171.4-1.6108.3N28 G57 N61 V62N28-R59 WeakPolarHBondContact OD1-CB 3.32Å; N28-R59 WeakPolarHBondContact OD1-CG 3.38Å; N28-R59 PolarHBondContact OD1-N 3.26Å; G57-R59 PolarHBondContact O-N 2.85Å; R59-N61 VanDerWaalsContact C-N 3.31Å; R59-N61 PolarHBondContact O-N 3.11Å; R59-V62 HydrophobicContact CB-CB 4.02Å; R59-V62 WeakPolarHBondContact O-CG1 3.35Å; R59-V62 PolarHBondContact O-N 2.9Å
60I88.6Confident89.7Confident24 Ų2432.2 Ų32.212%0.12315%0.152CC..THydrogen-bonded Turntrans-66.1-37.1-174.1-54.8-58.9000111.5L38 I54 A58 P70 L86 A91L38-I60 HydrophobicContact CD2-CD1 4.42Å; I54-I60 HydrophobicContact CB-CD1 4.3Å; I54-I60 HydrophobicContact CD1-CD1 4.03Å; I54-I60 HydrophobicContact CG1-CD1 3.63Å; I54-I60 HydrophobicContact CG2-CD1 4Å; A58-I60 WeakPolarHBondContact O-CD1 3.46Å; A58-I60 PolarHBondContact O-N 3.06Å; A58-I60 VanDerWaalsContact O-N 3.11Å; I60-P70 WeakPolarHBondContact O-CD 3.31Å; I60-L86 HydrophobicContact CG2-CD2 4.1Å; I60-A91 HydrophobicContact CG2-CB 3.5Å
61N87Confident89.8Confident45 Ų4532.3 Ų32.324%0.24115%0.152CC..THydrogen-bonded Turntrans-100.120.5-176.8-61.5-39.5000113.2R59 A91 D92R59-N61 VanDerWaalsContact C-N 3.31Å; R59-N61 PolarHBondContact O-N 3.11Å; N61-A91 WeakPolarHBondContact OD1-CA 3.48Å; N61-D92 PolarHBondContact OD1-N 3.45Å
62V85.6Confident89.9Confident8 Ų827.9 Ų27.95%0.04813%0.132CC..  trans-57.7140.9174.361.90000110.1S36 H39 R59 T69 P70S36-V62 WeakPolarHBondContact OG-CG1 3.45Å; H39-V62 PolarHBondContact NE2-O 2.97Å; R59-V62 HydrophobicContact CB-CB 4.02Å; R59-V62 WeakPolarHBondContact O-CG1 3.35Å; R59-V62 PolarHBondContact O-N 2.9Å; V62-T69 WeakPolarHBondContact O-CA 3.36Å; V62-P70 HydrophobicContact CG1-CG 3.82Å; V62-P70 WeakPolarHBondContact O-CD 3.31Å
63M87.8Confident90.1Very high19 Ų1927.1 Ų27.19%0.09413%0.128CC..  trans-113.3136.9-178.4-77.3178.2179.600110.3D67 D68 T69M63-D67 HydrophobicContact SD-CB 4.07Å; M63-D68 WeakPolarHBondContact CA-O 3.3Å; M63-T69 HydrophobicContact CE-CG2 4.17Å; M63-T69 HydrophobicContact CG-CG2 3.98Å
64N89.6Confident90.3Very high4 Ų427.1 Ų27.12%0.02113%0.128CC..  trans-79.6-173.5168.272.411.4000111.3G34 F35 G66 D67 D68G34-N64 WeakPolarHBondContact O-CA 3.41Å; F35-N64 HydrophobicContact CD2-CB 3.86Å; F35-N64 WeakPolarHBondContact CE1-ND2 3.44Å; F35-N64 HydrophobicContact CE2-CB 4Å; F35-N64 WeakPolarHBondContact CE2-ND2 3.33Å; F35-N64 HydrophobicContact CG-CB 4.22Å; F35-N64 HydrophobicContact CZ-CB 4.48Å; F35-N64 WeakPolarHBondContact CZ-ND2 3.29Å; N64-G66 PolarHBondContact O-N 2.98Å; N64-G66 WeakPolarHBondContact OD1-CA 3.34Å; N64-G66 PolarHBondContact OD1-N 3.29Å; N64-D67 WeakPolarHBondContact O-CA 3.43Å; N64-D67 PolarHBondContact O-N 2.83Å; N64-D67 PolarHBondContact OD1-N 3.04Å; N64-D68 PolarHBondContact N-O 3.06Å; N64-D68 PolarHBondContact OD1-N 2.86Å
65R86.9Confident90.6Very high161 Ų16126.6 Ų26.661%0.60813%0.125SC*.THydrogen-bonded Turntrans-62.1-23.8179.4-76.7-175.6-177.5-174.42.6115D32 H33 D67D32-R65 PolarHBondContact O-NE 3.1Å; D32-R65 VanDerWaalsContact O-NE 3.11Å; D32-R65 PolarHBondContact O-NH1 3.33Å; D32-R65 PolarHBondContact O-NH2 3.34Å; H33-R65 WeakPolarHBondContact O-CB 3.33Å; H33-R65 VanDerWaalsContact O-CG 3.3Å; H33-R65 WeakPolarHBondContact O-CG 3.41Å; H33-R65 PolarHBondContact O-N 3.22Å; R65-D67 VanDerWaalsContact C-N 3.26Å
66G88.5Confident91.1Very high11 Ų1121.6 Ų21.611%0.11310%0.102CC..THydrogen-bonded Turntrans-89.812.2173.900000113.7N64 D68 N97 E98N64-G66 PolarHBondContact O-N 2.98Å; N64-G66 WeakPolarHBondContact OD1-CA 3.34Å; N64-G66 PolarHBondContact OD1-N 3.29Å; G66-D68 PolarHBondContact O-N 2.97Å; G66-D68 VanDerWaalsContact O-N 3.15Å; G66-N97 WeakPolarHBondContact O-CB 3.47Å; G66-E98 WeakPolarHBondContact CA-OE1 3.28Å; G66-E98 WeakPolarHBondContact O-CB 3.39Å; G66-E98 WeakPolarHBondContact O-CG 3.32Å; G66-E98 PolarHBondContact O-N 3.32Å
67D89.3Confident91.7Very high0 Ų021.3 Ų21.30%010%0.104CC..  trans57.519.2-173-55.9-42.5000113.5M63 N64 R65 N97 E98 R178M63-D67 HydrophobicContact SD-CB 4.07Å; N64-D67 WeakPolarHBondContact O-CA 3.43Å; N64-D67 PolarHBondContact O-N 2.83Å; N64-D67 PolarHBondContact OD1-N 3.04Å; R65-D67 VanDerWaalsContact C-N 3.26Å; D67-N97 HydrophobicContact CB-CB 4.46Å; D67-N97 WeakPolarHBondContact O-CA 3.43Å; D67-N97 WeakPolarHBondContact O-CB 3.36Å; D67-E98 HydrophobicContact CB-CB 4.47Å; D67-R178 IonicContact OD1-CZ 3.46Å; D67-R178 IonicContact OD1-NE 3.73Å; D67-R178 PolarHBondContact OD1-NE 2.82Å; D67-R178 IonicContact OD1-NH2 2.84Å; D67-R178 IonicContact OD2-CZ 3.13Å; D67-R178 IonicContact OD2-NE 3.76Å; D67-R178 IonicContact OD2-NH2 3.83Å; D67-R178 PolarHBondContact OD2-NH2 2.77Å
68D93.8Very high92.5Very high19 Ų1921.6 Ų21.610%0.10211%0.107CC..  trans-76.1139.8173.1-78.1-37.9000110.1H39 M63 N64 G66 H72 N97 Y106H39-D68 PolarHBondContact NE2-O 3.21Å; M63-D68 WeakPolarHBondContact CA-O 3.3Å; N64-D68 PolarHBondContact N-O 3.06Å; N64-D68 PolarHBondContact OD1-N 2.86Å; G66-D68 PolarHBondContact O-N 2.97Å; G66-D68 VanDerWaalsContact O-N 3.15Å; D68-H72 HydrophobicContact CB-CB 4.13Å; D68-H72 IonicContact OD1-CD2 2.72Å; D68-H72 IonicContact OD1-CG 2.68Å; D68-N97 WeakPolarHBondContact OD1-CB 3.49Å; D68-N97 PolarHBondContact OD1-ND2 3.12Å; D68-Y106 PolarHBondContact OD1-OH 2.9Å; D68-Y106 PolarHBondContact OD2-OH 3.03Å
69T94.4Very high93.1Very high1 Ų123.4 Ų23.41%0.00611%0.114CC..  trans-97.4164.8174.968.60000111.5V62 M63 L71 H72 L73 A95V62-T69 WeakPolarHBondContact O-CA 3.36Å; M63-T69 HydrophobicContact CE-CG2 4.17Å; M63-T69 HydrophobicContact CG-CG2 3.98Å; T69-L71 PolarHBondContact O-N 2.99Å; T69-L71 VanDerWaalsContact O-N 3.09Å; T69-L71 PolarHBondContact OG1-N 3.33Å; T69-H72 PolarHBondContact N-ND1 3.34Å; T69-H72 VanDerWaalsContact N-ND1 3.17Å; T69-H72 WeakPolarHBondContact O-CB 3.19Å; T69-H72 PolarHBondContact O-N 2.71Å; T69-H72 PolarHBondContact OG1-N 3.41Å; T69-H72 PolarHBondContact OG1-ND1 3.46Å; T69-L73 PolarHBondContact O-N 3.49Å; T69-A95 HydrophobicContact CG2-CB 3.89Å
70P96.3Very high93.6Very high0 Ų026 Ų260%012%0.124CC..Hα-helixtrans-52.1-32.7171.2-28.434.1000113.5L38 C42 I60 V62 L73 A74 L86L38-P70 HydrophobicContact CB-CG 4.38Å; L38-P70 HydrophobicContact CD2-CB 4.16Å; L38-P70 HydrophobicContact CD2-CG 3.78Å; L38-P70 HydrophobicContact CG-CB 3.97Å; L38-P70 HydrophobicContact CG-CG 3.84Å; C42-P70 HydrophobicContact CB-CB 4.16Å; I60-P70 WeakPolarHBondContact O-CD 3.31Å; V62-P70 HydrophobicContact CG1-CG 3.82Å; V62-P70 WeakPolarHBondContact O-CD 3.31Å; P70-L73 PolarHBondContact O-N 3.18Å; P70-A74 WeakPolarHBondContact O-CB 3.46Å; P70-A74 PolarHBondContact O-N 2.9Å; P70-L86 HydrophobicContact CB-CD1 4.33Å; P70-L86 HydrophobicContact CB-CD2 4.46Å
71L97.7Very high94Very high1 Ų128 Ų281%0.00514%0.135CC..Hα-helixtrans-67.4-37.3176.3-175.259.8000112.6T69 L73 A75 V83 L86 L87 A91 P103 L119T69-L71 PolarHBondContact O-N 2.99Å; T69-L71 VanDerWaalsContact O-N 3.09Å; T69-L71 PolarHBondContact OG1-N 3.33Å; L71-L73 VanDerWaalsContact C-N 3.32Å; L71-L73 PolarHBondContact O-N 3.46Å; L71-A75 WeakPolarHBondContact O-CB 3.47Å; L71-A75 PolarHBondContact O-N 3.14Å; L71-V83 HydrophobicContact CD1-CB 4.37Å; L71-V83 HydrophobicContact CD1-CG1 4.01Å; L71-V83 HydrophobicContact CD1-CG2 4.18Å; L71-L86 HydrophobicContact CB-CD1 4.14Å; L71-L86 HydrophobicContact CD1-CB 4.22Å; L71-L86 HydrophobicContact CD1-CD1 4.08Å; L71-L87 HydrophobicContact CD2-CD2 4.01Å; L71-A91 HydrophobicContact CB-CB 4.47Å; L71-A91 HydrophobicContact CD2-CB 3.97Å; L71-P103 HydrophobicContact CB-CG 4.24Å; L71-P103 HydrophobicContact CD2-CB 4.26Å; L71-P103 HydrophobicContact CD2-CG 3.89Å; L71-P103 HydrophobicContact CG-CB 3.89Å; L71-P103 HydrophobicContact CG-CG 3.8Å; L71-L119 HydrophobicContact CD1-CD2 4.36Å; L71-L119 HydrophobicContact CD2-CD2 4.49Å
72H97.9Very high94.6Very high0 Ų025.9 Ų25.90%012%0.124CC..Hα-helixtrans-58.9-46172.5-71.981.6000111D68 T69 A75 S76 A95 N101 P103 Y106D68-H72 HydrophobicContact CB-CB 4.13Å; D68-H72 IonicContact OD1-CD2 2.72Å; D68-H72 IonicContact OD1-CG 2.68Å; T69-H72 PolarHBondContact N-ND1 3.34Å; T69-H72 VanDerWaalsContact N-ND1 3.17Å; T69-H72 WeakPolarHBondContact O-CB 3.19Å; T69-H72 PolarHBondContact O-N 2.71Å; T69-H72 PolarHBondContact OG1-N 3.41Å; T69-H72 PolarHBondContact OG1-ND1 3.46Å; H72-A75 PolarHBondContact O-N 3.25Å; H72-S76 WeakPolarHBondContact O-CB 3.48Å; H72-S76 PolarHBondContact O-N 3.32Å; H72-S76 PolarHBondContact O-OG 2.67Å; H72-A95 PolarHBondContact CE1-O 3.32Å; H72-A95 PolarHBondContact NE2-O 3.41Å; H72-N101 PolarHBondContact NE2-O 2.98Å; H72-P103 WeakPolarHBondContact NE2-CD 2.98Å; H72-Y106 AromaticContact CD2-CE2 3.95Å
73L97.9Very high95.2Very high10 Ų1025.5 Ų25.55%0.05212%0.121CC..Hα-helixtrans-68.7-46.8-177.5-58.6-178.4000111.9F35 H39 R43 T69 P70 L71 A75 S76 H77F35-L73 HydrophobicContact CD1-CD1 3.85Å; F35-L73 HydrophobicContact CE1-CD1 3.58Å; F35-L73 HydrophobicContact CE1-CD2 4.21Å; H39-L73 HydrophobicContact CB-CD1 3.62Å; R43-L73 HydrophobicContact CB-CB 4.17Å; R43-L73 HydrophobicContact CB-CD1 4.31Å; T69-L73 PolarHBondContact O-N 3.49Å; P70-L73 PolarHBondContact O-N 3.18Å; L71-L73 VanDerWaalsContact C-N 3.32Å; L71-L73 PolarHBondContact O-N 3.46Å; L73-A75 VanDerWaalsContact C-N 3.29Å; L73-A75 PolarHBondContact O-N 3.28Å; L73-S76 PolarHBondContact O-N 3.49Å; L73-S76 PolarHBondContact O-OG 3.26Å; L73-H77 PolarHBondContact O-N 2.86Å; L73-H77 PolarHBondContact O-ND1 3.13Å; L73-H77 VanDerWaalsContact O-ND1 3.1Å
74A98.3Very high95.6Very high0 Ų029 Ų290%014%0.137CC..Hα-helixtrans-59.4-41.9174.700000111.5C42 P70 S76 H77 G78 H79 I82 V83 L86C42-A74 HydrophobicContact CB-CB 4.21Å; P70-A74 WeakPolarHBondContact O-CB 3.46Å; P70-A74 PolarHBondContact O-N 2.9Å; A74-S76 PolarHBondContact O-N 2.98Å; A74-H77 PolarHBondContact O-N 3.23Å; A74-G78 PolarHBondContact O-N 2.86Å; A74-H79 PolarHBondContact O-N 3.46Å; A74-H79 VanDerWaalsContact O-N 3.16Å; A74-I82 HydrophobicContact CB-CB 4.37Å; A74-I82 HydrophobicContact CB-CG2 3.68Å; A74-V83 HydrophobicContact CB-CG2 3.86Å; A74-L86 HydrophobicContact CB-CD1 4.09Å
75A98.3Very high95.9Very high0 Ų031 Ų310%015%0.146CC..Hα-helixtrans-65.3-39.3-179.900000112.9L71 H72 L73 G78 P103 A107 Q112 V115 L119L71-A75 WeakPolarHBondContact O-CB 3.47Å; L71-A75 PolarHBondContact O-N 3.14Å; H72-A75 PolarHBondContact O-N 3.25Å; L73-A75 VanDerWaalsContact C-N 3.29Å; L73-A75 PolarHBondContact O-N 3.28Å; A75-G78 PolarHBondContact O-N 3.17Å; A75-P103 HydrophobicContact CB-CB 4.11Å; A75-A107 HydrophobicContact CB-CB 4.36Å; A75-Q112 WeakPolarHBondContact O-CG 3.34Å; A75-V115 HydrophobicContact CB-CG1 4.13Å; A75-L119 HydrophobicContact CB-CD1 4.13Å
76S97.7Very high96.3Very high8 Ų823.4 Ų23.46%0.05612%0.117CC..Hα-helixtrans-68.7-32.5179.868.60000114.5H72 L73 A74 W110 Q112H72-S76 WeakPolarHBondContact O-CB 3.48Å; H72-S76 PolarHBondContact O-N 3.32Å; H72-S76 PolarHBondContact O-OG 2.67Å; L73-S76 PolarHBondContact O-N 3.49Å; L73-S76 PolarHBondContact O-OG 3.26Å; A74-S76 PolarHBondContact O-N 2.98Å; S76-W110 WeakPolarHBondContact O-CB 3.36Å; S76-Q112 PolarHBondContact O-NE2 3.31Å
77H97.8Very high96.6Very high74 Ų7423.9 Ų23.934%0.34312%0.117SC..Hα-helixtrans-95.50.3-178.7-67.169.3000112.9L73 A74 H79L73-H77 PolarHBondContact O-N 2.86Å; L73-H77 PolarHBondContact O-ND1 3.13Å; L73-H77 VanDerWaalsContact O-ND1 3.1Å; A74-H77 PolarHBondContact O-N 3.23Å; H77-H79 VanDerWaalsContact CB-NE2 3.34Å; H77-H79 WeakPolarHBondContact CB-NE2 3.44Å
78G97.2Very high96.7Very high22 Ų2230.7 Ų30.723%0.22715%0.149CC..THydrogen-bonded Turntrans77.418.217400000115A74 A75 R80 Q112A74-G78 PolarHBondContact O-N 2.86Å; A75-G78 PolarHBondContact O-N 3.17Å; G78-R80 VanDerWaalsContact C-N 3.26Å; G78-R80 PolarHBondContact O-N 2.92Å; G78-Q112 VanDerWaalsContact CA-OE1 3.3Å
79H98.1Very high96.4Very high45 Ų4534.2 Ų34.221%0.20816%0.161CC..  trans-78.175.8-178.5-59.1-50.7000111.1C42 R43 G45 A74 H77 D81 I82 V83C42-H79 PolarHBondContact O-CD2 2.96Å; R43-H79 PolarHBondContact O-CD2 3.41Å; R43-H79 PolarHBondContact O-NE2 3.07Å; G45-H79 VanDerWaalsContact CA-CE1 3.43Å; G45-H79 WeakPolarHBondContact CA-CE1 3.46Å; G45-H79 WeakPolarHBondContact CA-NE2 3.23Å; G45-H79 PolarHBondContact N-CD2 3.47Å; G45-H79 PolarHBondContact N-NE2 2.8Å; G45-H79 VanDerWaalsContact N-NE2 3.19Å; A74-H79 PolarHBondContact O-N 3.46Å; A74-H79 VanDerWaalsContact O-N 3.16Å; H77-H79 VanDerWaalsContact CB-NE2 3.34Å; H77-H79 WeakPolarHBondContact CB-NE2 3.44Å; H79-D81 VanDerWaalsContact C-N 3.34Å; H79-D81 PolarHBondContact O-N 3.48Å; H79-I82 HydrophobicContact CB-CB 4.03Å; H79-I82 HydrophobicContact CB-CD1 3.94Å; H79-I82 HydrophobicContact CB-CG1 4.26Å; H79-I82 PolarHBondContact O-N 3.09Å; H79-I82 VanDerWaalsContact O-N 3.14Å; H79-V83 WeakPolarHBondContact O-CG2 3.37Å; H79-V83 PolarHBondContact O-N 2.96Å
80R97.6Very high95.9Very high93 Ų9342.5 Ų42.535%0.35120%0.198SC..Hα-helixtrans-56-42.4-171.8-172.3-179179.3-176.9-0.6113.8G78 V83 Q84 V115 D118G78-R80 VanDerWaalsContact C-N 3.26Å; G78-R80 PolarHBondContact O-N 2.92Å; R80-V83 PolarHBondContact O-N 3.05Å; R80-Q84 WeakPolarHBondContact O-CG 3.36Å; R80-Q84 PolarHBondContact O-N 3.3Å; R80-V115 HydrophobicContact CB-CG2 3.92Å; R80-V115 HydrophobicContact CG-CG2 4.37Å; R80-D118 WeakPolarHBondContact CG-OD2 3.47Å; R80-D118 IonicContact CZ-OD1 2.61Å; R80-D118 IonicContact CZ-OD2 3.65Å; R80-D118 IonicContact NE-OD1 3.51Å; R80-D118 IonicContact NE-OD2 3.77Å; R80-D118 PolarHBondContact NE-OD2 3.4Å; R80-D118 IonicContact NH2-OD1 3.65Å; R80-D118 PolarHBondContact NH2-OD1 3.1Å; R80-D118 IonicContact NH2-OD2 3.6Å; R80-D118 PolarHBondContact NH2-OD2 2.87Å
81D97.3Very high95.6Very high68 Ų6843 Ų4336%0.36420%0.201SC..Hα-helixtrans-65.4-39.2178.967.5-52000111.9S47 H79 Q84 K85S47-D81 WeakPolarHBondContact CB-OD2 3.38Å; S47-D81 PolarHBondContact OG-OD2 3.2Å; H79-D81 VanDerWaalsContact C-N 3.34Å; H79-D81 PolarHBondContact O-N 3.48Å; D81-Q84 PolarHBondContact O-N 2.84Å; D81-K85 WeakPolarHBondContact O-CG 3.36Å; D81-K85 PolarHBondContact O-N 2.86Å
82I98.3Very high95.1Very high0 Ų046.6 Ų46.60%022%0.221CC..Hα-helixtrans-67.4-41.6174.6-67.4175.6000110.7C42 V50 A74 H79 Q84 K85 L86C42-I82 HydrophobicContact CB-CG2 4.18Å; V50-I82 HydrophobicContact CG1-CG2 4.21Å; V50-I82 HydrophobicContact CG2-CD1 3.96Å; V50-I82 HydrophobicContact CG2-CG1 4.32Å; V50-I82 HydrophobicContact CG2-CG2 4.25Å; A74-I82 HydrophobicContact CB-CB 4.37Å; A74-I82 HydrophobicContact CB-CG2 3.68Å; H79-I82 HydrophobicContact CB-CB 4.03Å; H79-I82 HydrophobicContact CB-CD1 3.94Å; H79-I82 HydrophobicContact CB-CG1 4.26Å; H79-I82 PolarHBondContact O-N 3.09Å; H79-I82 VanDerWaalsContact O-N 3.14Å; I82-Q84 PolarHBondContact O-N 2.93Å; I82-K85 PolarHBondContact O-N 3.32Å; I82-L86 HydrophobicContact CG2-CD1 3.97Å; I82-L86 HydrophobicContact CG2-CG 4.27Å; I82-L86 WeakPolarHBondContact O-CG 3.14Å; I82-L86 PolarHBondContact O-N 3.22Å
83V98.1Very high94.9Very high0 Ų047.5 Ų47.50%023%0.225CC..Hα-helixtrans-57.9-49175.1168.10000110.5L71 A74 H79 R80 K85 L86 L87 V115 L119L71-V83 HydrophobicContact CD1-CB 4.37Å; L71-V83 HydrophobicContact CD1-CG1 4.01Å; L71-V83 HydrophobicContact CD1-CG2 4.18Å; A74-V83 HydrophobicContact CB-CG2 3.86Å; H79-V83 WeakPolarHBondContact O-CG2 3.37Å; H79-V83 PolarHBondContact O-N 2.96Å; R80-V83 PolarHBondContact O-N 3.05Å; V83-K85 PolarHBondContact O-N 2.89Å; V83-L86 PolarHBondContact O-N 3.25Å; V83-L87 HydrophobicContact CG1-CD1 3.9Å; V83-L87 HydrophobicContact CG1-CG 4.42Å; V83-L87 VanDerWaalsContact O-CG 3.26Å; V83-L87 WeakPolarHBondContact O-CG 3.1Å; V83-L87 PolarHBondContact O-N 2.97Å; V83-V115 HydrophobicContact CB-CG1 4.49Å; V83-V115 HydrophobicContact CG1-CG1 4.31Å; V83-V115 HydrophobicContact CG2-CG1 3.87Å; V83-L119 HydrophobicContact CG1-CD2 4.01Å; V83-L119 HydrophobicContact CG1-CG 4.32Å
84Q96.7Very high94.7Very high92 Ų9248.8 Ų48.843%0.4323%0.232SC..Hα-helixtrans-60-43.6177.7-71.2176.1200112.1R80 D81 I82 L87 Q88 D118R80-Q84 WeakPolarHBondContact O-CG 3.36Å; R80-Q84 PolarHBondContact O-N 3.3Å; D81-Q84 PolarHBondContact O-N 2.84Å; I82-Q84 PolarHBondContact O-N 2.93Å; Q84-L87 PolarHBondContact O-N 3.23Å; Q84-Q88 WeakPolarHBondContact O-CB 3.48Å; Q84-Q88 PolarHBondContact O-N 3.06Å; Q84-D118 PolarHBondContact NE2-OD2 2.74Å
85K95.4Very high94.3Very high47 Ų4748.9 Ų48.920%0.20423%0.233CC..Hα-helixtrans-59.6-50.8174.4-73.9-176.7-172.8-172.80111.4E51 D81 I82 V83 L87 Q88 Y89E51-K85 IonicContact OE2-NZ 2.86Å; E51-K85 PolarHBondContact OE2-NZ 3.49Å; D81-K85 WeakPolarHBondContact O-CG 3.36Å; D81-K85 PolarHBondContact O-N 2.86Å; I82-K85 PolarHBondContact O-N 3.32Å; V83-K85 PolarHBondContact O-N 2.89Å; K85-L87 VanDerWaalsContact C-N 3.28Å; K85-L87 PolarHBondContact O-N 3.34Å; K85-Q88 WeakPolarHBondContact O-CB 2.98Å; K85-Q88 PolarHBondContact O-N 3.45Å; K85-Q88 VanDerWaalsContact O-N 3.12Å; K85-Y89 VanDerWaalsContact O-CD2 3.26Å; K85-Y89 WeakPolarHBondContact O-CD2 3.33Å; K85-Y89 PolarHBondContact O-N 2.93Å
86L96Very high93.9Very high0 Ų050.4 Ų50.40%024%0.242CC..Hα-helixtrans-57.5-42.3179.8-71.3172.7000111.8I54 I60 P70 L71 A74 I82 V83 Y89 K90 A91I54-L86 HydrophobicContact CD1-CD2 3.97Å; I60-L86 HydrophobicContact CG2-CD2 4.1Å; P70-L86 HydrophobicContact CB-CD1 4.33Å; P70-L86 HydrophobicContact CB-CD2 4.46Å; L71-L86 HydrophobicContact CB-CD1 4.14Å; L71-L86 HydrophobicContact CD1-CB 4.22Å; L71-L86 HydrophobicContact CD1-CD1 4.08Å; A74-L86 HydrophobicContact CB-CD1 4.09Å; I82-L86 HydrophobicContact CG2-CD1 3.97Å; I82-L86 HydrophobicContact CG2-CG 4.27Å; I82-L86 WeakPolarHBondContact O-CG 3.14Å; I82-L86 PolarHBondContact O-N 3.22Å; V83-L86 PolarHBondContact O-N 3.25Å; L86-Y89 CarbonylContact O-C 3.45Å; L86-Y89 PolarHBondContact O-N 3.47Å; L86-K90 PolarHBondContact O-N 2.9Å; L86-A91 HydrophobicContact CB-CB 3.95Å; L86-A91 WeakPolarHBondContact O-CB 3.39Å; L86-A91 PolarHBondContact O-N 3.01Å
87L94.3Very high93.5Very high22 Ų2250.1 Ų50.112%0.11524%0.24CC..Hα-helixtrans-65.4-39.3176.5-66.4173.8000112.6L71 V83 Q84 K85 Y89 K90 I93 L119 N122L71-L87 HydrophobicContact CD2-CD2 4.01Å; V83-L87 HydrophobicContact CG1-CD1 3.9Å; V83-L87 HydrophobicContact CG1-CG 4.42Å; V83-L87 VanDerWaalsContact O-CG 3.26Å; V83-L87 WeakPolarHBondContact O-CG 3.1Å; V83-L87 PolarHBondContact O-N 2.97Å; Q84-L87 PolarHBondContact O-N 3.23Å; K85-L87 VanDerWaalsContact C-N 3.28Å; K85-L87 PolarHBondContact O-N 3.34Å; L87-Y89 PolarHBondContact O-N 3.42Å; L87-K90 PolarHBondContact O-N 3.32Å; L87-I93 HydrophobicContact CD1-CD1 4.36Å; L87-I93 HydrophobicContact CD2-CB 3.95Å; L87-I93 HydrophobicContact CD2-CD1 3.67Å; L87-I93 HydrophobicContact CD2-CG1 3.8Å; L87-L119 HydrophobicContact CD1-CD2 4.32Å; L87-N122 HydrophobicContact CD1-CB 3.83Å
88Q91.6Very high93.1Very high143 Ų14350.3 Ų50.367%0.66824%0.241SC*.Hα-helixtrans-58.3-39.4172.9-174.8-177.58.200111.5Q84 K85 K90Q84-Q88 WeakPolarHBondContact O-CB 3.48Å; Q84-Q88 PolarHBondContact O-N 3.06Å; K85-Q88 WeakPolarHBondContact O-CB 2.98Å; K85-Q88 PolarHBondContact O-N 3.45Å; K85-Q88 VanDerWaalsContact O-N 3.12Å; Q88-K90 PolarHBondContact O-N 2.8Å
89Y86.9Confident92.8Very high92 Ų9252.6 Ų52.636%0.36125%0.246SC..THydrogen-bonded Turntrans-86.826.6175.3-70.7-83.8000113.7I54 M55 K85 L86 L87 A91I54-Y89 HydrophobicContact CD1-CD2 4.24Å; I54-Y89 HydrophobicContact CG2-CD1 3.58Å; I54-Y89 HydrophobicContact CG2-CD2 3.64Å; I54-Y89 HydrophobicContact CG2-CE1 3.67Å; I54-Y89 HydrophobicContact CG2-CE2 3.76Å; I54-Y89 HydrophobicContact CG2-CG 3.56Å; M55-Y89 PolarHBondContact SD-OH 2.9Å; M55-Y89 VanDerWaalsContact SD-OH 3.36Å; K85-Y89 VanDerWaalsContact O-CD2 3.26Å; K85-Y89 WeakPolarHBondContact O-CD2 3.33Å; K85-Y89 PolarHBondContact O-N 2.93Å; L86-Y89 CarbonylContact O-C 3.45Å; L86-Y89 PolarHBondContact O-N 3.47Å; L87-Y89 PolarHBondContact O-N 3.42Å; Y89-A91 VanDerWaalsContact C-N 3.33Å; Y89-A91 PolarHBondContact O-N 2.94Å
90K84.9Confident92.5Very high176 Ų17650.4 Ų50.477%0.76524%0.236SC*.THydrogen-bonded Turntrans59.936.2171.6-52.2-63-176.9-177.90114.2L86 L87 Q88 D92L86-K90 PolarHBondContact O-N 2.9Å; L87-K90 PolarHBondContact O-N 3.32Å; Q88-K90 PolarHBondContact O-N 2.8Å; K90-D92 PolarHBondContact O-N 3.42Å
91A89Confident92.5Very high9 Ų947 Ų477%0.07423%0.225CC..  trans-55.5136.7165.300000110.6I60 N61 L71 L86 Y89 I93I60-A91 HydrophobicContact CG2-CB 3.5Å; N61-A91 WeakPolarHBondContact OD1-CA 3.48Å; L71-A91 HydrophobicContact CB-CB 4.47Å; L71-A91 HydrophobicContact CD2-CB 3.97Å; L86-A91 HydrophobicContact CB-CB 3.95Å; L86-A91 WeakPolarHBondContact O-CB 3.39Å; L86-A91 PolarHBondContact O-N 3.01Å; Y89-A91 VanDerWaalsContact C-N 3.33Å; Y89-A91 PolarHBondContact O-N 2.94Å; A91-I93 PolarHBondContact O-N 2.96Å
92D87.7Confident92.4Very high78 Ų7843.8 Ų43.842%0.41721%0.207SC..  trans-69.4101.5174.2179.26000109.3N61 K90 N94 A95N61-D92 PolarHBondContact OD1-N 3.45Å; K90-D92 PolarHBondContact O-N 3.42Å; D92-N94 PolarHBondContact O-N 2.88Å; D92-N94 PolarHBondContact OD1-N 3.43Å; D92-A95 HydrophobicContact CB-CB 4.06Å; D92-A95 WeakPolarHBondContact O-CB 3.46Å; D92-A95 PolarHBondContact O-N 3.42Å; D92-A95 PolarHBondContact OD1-N 3.01Å; D92-A95 WeakPolarHBondContact OD2-CA 3.49Å
93I94.3Very high92.4Very high19 Ų1943.8 Ų43.810%0.09721%0.207CC..THydrogen-bonded Turntrans-64.3-22.1-177.1-161.6167.8000113.1L87 A91 P103 L119 N122 A124L87-I93 HydrophobicContact CD1-CD1 4.36Å; L87-I93 HydrophobicContact CD2-CB 3.95Å; L87-I93 HydrophobicContact CD2-CD1 3.67Å; L87-I93 HydrophobicContact CD2-CG1 3.8Å; A91-I93 PolarHBondContact O-N 2.96Å; I93-P103 WeakPolarHBondContact O-CD 3.33Å; I93-L119 HydrophobicContact CD1-CD2 4.03Å; I93-L119 WeakPolarHBondContact CD1-O 3.45Å; I93-L119 HydrophobicContact CG1-CD2 3.82Å; I93-N122 HydrophobicContact CD1-CB 3.75Å; I93-A124 HydrophobicContact CD1-CB 3.83Å; I93-A124 HydrophobicContact CG1-CB 3.85Å
94N93.1Very high92.4Very high37 Ų3743.8 Ų43.820%0.19821%0.207CC..THydrogen-bonded Turntrans-113.919.8-178.7-64.9-53.1000111.9D92 V96 G123 L125 I128D92-N94 PolarHBondContact O-N 2.88Å; D92-N94 PolarHBondContact OD1-N 3.43Å; N94-V96 PolarHBondContact O-N 3.2Å; N94-G123 PolarHBondContact ND2-O 3.3Å; N94-L125 PolarHBondContact OD1-N 3.12Å; N94-I128 HydrophobicContact CB-CD1 3.85Å
95A89.2Confident92.4Very high2 Ų239.5 Ų39.52%0.01719%0.187CC..  trans-55.1130.5174.400000110.1T69 H72 D92 V102 P103T69-A95 HydrophobicContact CG2-CB 3.89Å; H72-A95 PolarHBondContact CE1-O 3.32Å; H72-A95 PolarHBondContact NE2-O 3.41Å; D92-A95 HydrophobicContact CB-CB 4.06Å; D92-A95 WeakPolarHBondContact O-CB 3.46Å; D92-A95 PolarHBondContact O-N 3.42Å; D92-A95 PolarHBondContact OD1-N 3.01Å; D92-A95 WeakPolarHBondContact OD2-CA 3.49Å; A95-V102 WeakPolarHBondContact O-CA 3.43Å; A95-P103 WeakPolarHBondContact O-CD 3.27Å
96V90.3Very high92.6Very high31 Ų3139.1 Ų39.119%0.18819%0.185CC..  trans-102.6127.1-179.9-65.60000111.1N94 N101 V102 R176N94-V96 PolarHBondContact O-N 3.2Å; V96-N101 WeakPolarHBondContact CA-O 3.33Å; V96-V102 HydrophobicContact CG1-CG1 3.69Å; V96-R176 PolarHBondContact O-NH1 3.38Å
97N90Very high92.6Very high2 Ų239.1 Ų39.11%0.01119%0.185CC..  trans-82.8-173.2176.282.3-2000112.8G66 D67 D68 H99 G100 N101 Y106G66-N97 WeakPolarHBondContact O-CB 3.47Å; D67-N97 HydrophobicContact CB-CB 4.46Å; D67-N97 WeakPolarHBondContact O-CA 3.43Å; D67-N97 WeakPolarHBondContact O-CB 3.36Å; D68-N97 WeakPolarHBondContact OD1-CB 3.49Å; D68-N97 PolarHBondContact OD1-ND2 3.12Å; N97-H99 PolarHBondContact O-N 2.91Å; N97-H99 VanDerWaalsContact O-N 3.14Å; N97-H99 WeakPolarHBondContact OD1-CA 3.36Å; N97-H99 PolarHBondContact OD1-N 2.94Å; N97-G100 PolarHBondContact O-N 3.3Å; N97-G100 PolarHBondContact OD1-N 3.38Å; N97-N101 PolarHBondContact N-O 3.44Å; N97-N101 WeakPolarHBondContact OD1-CB 3.2Å; N97-N101 PolarHBondContact OD1-N 3.48Å; N97-N101 PolarHBondContact OD1-O 3.23Å; N97-Y106 WeakPolarHBondContact ND2-CE2 3.16Å; N97-Y106 PolarHBondContact ND2-OH 3.11Å
98E88.3Confident92.8Very high78 Ų7838.1 Ų38.136%0.36418%0.18SC..THydrogen-bonded Turntrans-64.6-21.6-175.375.4175136.900113.1G66 D67 K131G66-E98 WeakPolarHBondContact CA-OE1 3.28Å; G66-E98 WeakPolarHBondContact O-CB 3.39Å; G66-E98 WeakPolarHBondContact O-CG 3.32Å; G66-E98 PolarHBondContact O-N 3.32Å; D67-E98 HydrophobicContact CB-CB 4.47Å; E98-K131 WeakPolarHBondContact O-CD 3.23Å; E98-K131 WeakPolarHBondContact O-CE 3.5Å; E98-K131 PolarHBondContact O-NZ 3.14Å
99H91.7Very high93Very high70 Ų7037 Ų3732%0.32417%0.173SC..THydrogen-bonded Turntrans-95.32.4176.5-60.6-57.1000112.8N97 N101 K131N97-H99 PolarHBondContact O-N 2.91Å; N97-H99 VanDerWaalsContact O-N 3.14Å; N97-H99 WeakPolarHBondContact OD1-CA 3.36Å; N97-H99 PolarHBondContact OD1-N 2.94Å; H99-N101 PolarHBondContact O-N 3.14Å; H99-K131 WeakPolarHBondContact O-CB 3.37Å; H99-K131 WeakPolarHBondContact O-CG 3.37Å; H99-K131 PolarHBondContact O-N 3.01Å
100G92.2Very high93.5Very high0 Ų040 Ų400%018%0.184CC..SBendtrans73.49.1-173.900000113.9N97 N130N97-G100 PolarHBondContact O-N 3.3Å; N97-G100 PolarHBondContact OD1-N 3.38Å; G100-N130 WeakPolarHBondContact O-CA 3.17Å
101N96.2Very high94Very high22 Ų2232.9 Ų32.912%0.11816%0.16CC..  trans-74.9145.8174.1-67.8-44.2000109.1H72 V96 N97 H99 H105 Y106 N130H72-N101 PolarHBondContact NE2-O 2.98Å; V96-N101 WeakPolarHBondContact CA-O 3.33Å; N97-N101 PolarHBondContact N-O 3.44Å; N97-N101 WeakPolarHBondContact OD1-CB 3.2Å; N97-N101 PolarHBondContact OD1-N 3.48Å; N97-N101 PolarHBondContact OD1-O 3.23Å; H99-N101 PolarHBondContact O-N 3.14Å; N101-H105 HydrophobicContact CB-CB 3.89Å; N101-Y106 HydrophobicContact CB-CD2 4.12Å; N101-Y106 HydrophobicContact CB-CE2 3.71Å; N101-N130 VanDerWaalsContact OD1-CB 3.23Å; N101-N130 WeakPolarHBondContact OD1-CB 3.42Å; N101-N130 PolarHBondContact OD1-ND2 3.15Å
102V96.4Very high94.4Very high0 Ų035.2 Ų35.20%017%0.169CC..  trans-105.1166.6169.6-60.70000109.5A95 V96 L104 H105 I128 P136A95-V102 WeakPolarHBondContact O-CA 3.43Å; V96-V102 HydrophobicContact CG1-CG1 3.69Å; V102-L104 HydrophobicContact CG2-CB 4.07Å; V102-L104 PolarHBondContact O-N 3.35Å; V102-H105 WeakPolarHBondContact CG2-ND1 3.47Å; V102-H105 PolarHBondContact N-ND1 3.24Å; V102-H105 WeakPolarHBondContact O-CB 3.49Å; V102-H105 PolarHBondContact O-N 3.04Å; V102-I128 HydrophobicContact CG1-CB 4.47Å; V102-I128 HydrophobicContact CG1-CD1 3.97Å; V102-I128 HydrophobicContact CG1-CG2 3.96Å; V102-P136 HydrophobicContact CG2-CG 4.08Å
103P97.6Very high94.8Very high0 Ų035 Ų350%017%0.168CC..Hα-helixtrans-52.1-34.9178.8-2935.8000114L71 H72 A75 I93 A95 H105 Y106 A107 L119L71-P103 HydrophobicContact CB-CG 4.24Å; L71-P103 HydrophobicContact CD2-CB 4.26Å; L71-P103 HydrophobicContact CD2-CG 3.89Å; L71-P103 HydrophobicContact CG-CB 3.89Å; L71-P103 HydrophobicContact CG-CG 3.8Å; H72-P103 WeakPolarHBondContact NE2-CD 2.98Å; A75-P103 HydrophobicContact CB-CB 4.11Å; I93-P103 WeakPolarHBondContact O-CD 3.33Å; A95-P103 WeakPolarHBondContact O-CD 3.27Å; P103-H105 VanDerWaalsContact C-N 3.33Å; P103-H105 PolarHBondContact O-N 3.4Å; P103-Y106 PolarHBondContact O-N 3.19Å; P103-Y106 VanDerWaalsContact O-N 3.16Å; P103-A107 PolarHBondContact O-N 2.91Å; P103-L119 HydrophobicContact CB-CD1 4.41Å
104L98Very high94.9Very high0 Ų039.6 Ų39.60%019%0.189CC..Hα-helixtrans-63.8-33.3176.3-172.661.2000113.1V102 Y106 A107 C108 A116 L119 V120 A124 V126 P136V102-L104 HydrophobicContact CG2-CB 4.07Å; V102-L104 PolarHBondContact O-N 3.35Å; L104-Y106 VanDerWaalsContact C-N 3.28Å; L104-Y106 PolarHBondContact O-N 3.44Å; L104-A107 PolarHBondContact O-N 3.23Å; L104-C108 WeakPolarHBondContact O-CB 3.17Å; L104-C108 PolarHBondContact O-N 3.18Å; L104-C108 PolarHBondContact O-SG 3.46Å; L104-A116 HydrophobicContact CD1-CB 3.77Å; L104-L119 HydrophobicContact CB-CD1 4.36Å; L104-L119 HydrophobicContact CD1-CB 4.06Å; L104-L119 HydrophobicContact CD1-CD1 4.17Å; L104-V120 HydrophobicContact CD1-CG2 4.17Å; L104-V120 HydrophobicContact CD2-CG2 3.73Å; L104-A124 HydrophobicContact CB-CB 4.37Å; L104-A124 HydrophobicContact CD2-CB 4.04Å; L104-V126 HydrophobicContact CD2-CG1 3.99Å; L104-P136 HydrophobicContact CB-CB 4.02Å; L104-P136 HydrophobicContact CB-CG 4.19Å; L104-P136 HydrophobicContact CD2-CB 3.78Å; L104-P136 HydrophobicContact CD2-CG 3.98Å; L104-P136 HydrophobicContact CG-CB 3.58Å; L104-P136 HydrophobicContact CG-CG 4.11Å
105H98.1Very high95.2Very high2 Ų238 Ų381%0.00918%0.181CC..Hα-helixtrans-61.2-40.9174.1-75.490000111.1N101 V102 P103 F109 I128 E134 P136N101-H105 HydrophobicContact CB-CB 3.89Å; V102-H105 WeakPolarHBondContact CG2-ND1 3.47Å; V102-H105 PolarHBondContact N-ND1 3.24Å; V102-H105 WeakPolarHBondContact O-CB 3.49Å; V102-H105 PolarHBondContact O-N 3.04Å; P103-H105 VanDerWaalsContact C-N 3.33Å; P103-H105 PolarHBondContact O-N 3.4Å; H105-F109 VanDerWaalsContact O-CB 3.22Å; H105-F109 WeakPolarHBondContact O-CB 3.49Å; H105-F109 PolarHBondContact O-N 3.07Å; H105-I128 PolarHBondContact CE1-O 3.49Å; H105-I128 VanDerWaalsContact CE1-O 3.23Å; H105-E134 PolarHBondContact NE2-O 2.89Å; H105-P136 VanDerWaalsContact CE1-CD 3.41Å; H105-P136 WeakPolarHBondContact CE1-CD 3.26Å; H105-P136 WeakPolarHBondContact NE2-CD 3.46Å
106Y97.9Very high95.6Very high39 Ų3937.9 Ų37.915%0.15318%0.18CC..Hα-helixtrans-68-47.2178.8-80.6-122.8000110.5D68 H72 N97 N101 P103 L104 C108 F109 W110D68-Y106 PolarHBondContact OD1-OH 2.9Å; D68-Y106 PolarHBondContact OD2-OH 3.03Å; H72-Y106 AromaticContact CD2-CE2 3.95Å; N97-Y106 WeakPolarHBondContact ND2-CE2 3.16Å; N97-Y106 PolarHBondContact ND2-OH 3.11Å; N101-Y106 HydrophobicContact CB-CD2 4.12Å; N101-Y106 HydrophobicContact CB-CE2 3.71Å; P103-Y106 PolarHBondContact O-N 3.19Å; P103-Y106 VanDerWaalsContact O-N 3.16Å; L104-Y106 VanDerWaalsContact C-N 3.28Å; L104-Y106 PolarHBondContact O-N 3.44Å; Y106-C108 VanDerWaalsContact C-N 3.31Å; Y106-C108 PolarHBondContact O-N 3.4Å; Y106-F109 PolarHBondContact O-N 3.31Å; Y106-W110 PolarHBondContact O-N 3.35Å
107A97.9Very high95.8Very high0 Ų038.6 Ų38.60%018%0.181CC..Hα-helixtrans-57-44.9176.800000111.9A75 P103 L104 G111 Q112 V115 A116 L119A75-A107 HydrophobicContact CB-CB 4.36Å; P103-A107 PolarHBondContact O-N 2.91Å; L104-A107 PolarHBondContact O-N 3.23Å; A107-G111 PolarHBondContact O-N 3.03Å; A107-G111 VanDerWaalsContact O-N 3.12Å; A107-Q112 HydrophobicContact CB-CB 4.32Å; A107-Q112 PolarHBondContact O-N 3.43Å; A107-V115 HydrophobicContact CB-CG1 4.15Å; A107-A116 HydrophobicContact CB-CB 3.97Å; A107-L119 HydrophobicContact CB-CD1 4.09Å
108C97.6Very high96.1Very high1 Ų139.2 Ų39.21%0.00718%0.184CC..Hα-helixtrans-65.2-45.6177.2-72.30000113.1L104 Y106 G111 P136 K139 A140 L148L104-C108 WeakPolarHBondContact O-CB 3.17Å; L104-C108 PolarHBondContact O-N 3.18Å; L104-C108 PolarHBondContact O-SG 3.46Å; Y106-C108 VanDerWaalsContact C-N 3.31Å; Y106-C108 PolarHBondContact O-N 3.4Å; C108-G111 PolarHBondContact O-N 2.86Å; C108-P136 WeakPolarHBondContact CB-O 3.36Å; C108-P136 PolarHBondContact SG-O 2.78Å; C108-P136 VanDerWaalsContact SG-O 3.33Å; C108-K139 HydrophobicContact CB-CB 4.24Å; C108-A140 HydrophobicContact CB-CB 3.9Å; C108-L148 WeakPolarHBondContact SG-CD1 3.17Å
109F96.8Very high96.6Very high119 Ų11935.5 Ų35.552%0.52217%0.167SC..Hα-helixtrans-64.2-40.8-178.4-179.4-97.1000112.2H105 Y106 G111 K139H105-F109 VanDerWaalsContact O-CB 3.22Å; H105-F109 WeakPolarHBondContact O-CB 3.49Å; H105-F109 PolarHBondContact O-N 3.07Å; Y106-F109 PolarHBondContact O-N 3.31Å; F109-G111 VanDerWaalsContact C-N 3.33Å; F109-K139 HydrophobicContact CB-CB 4.2Å; F109-K139 HydrophobicContact CD2-CD 4.21Å
110W96.7Very high96.8Very high156 Ų15632.2 Ų32.259%0.59115%0.152SC*.Hα-helixtrans-86.4-0.8179.8-64.7110.8000113.8S76 Y106 Q112S76-W110 WeakPolarHBondContact O-CB 3.36Å; Y106-W110 PolarHBondContact O-N 3.35Å; W110-Q112 HydrophobicContact CB-CG 4.15Å
111G95.6Very high96.9Very high26 Ų2634 Ų3427%0.26817%0.166SC..THydrogen-bonded Turntrans70.336177.500000114A107 C108 F109 D113A107-G111 PolarHBondContact O-N 3.03Å; A107-G111 VanDerWaalsContact O-N 3.12Å; C108-G111 PolarHBondContact O-N 2.86Å; F109-G111 VanDerWaalsContact C-N 3.33Å; G111-D113 VanDerWaalsContact C-N 3.32Å; G111-D113 PolarHBondContact O-N 3.02Å
112Q97.5Very high96.8Very high57 Ų5737.5 Ų37.527%0.26619%0.185SC..  trans-89.267.4179.3-55.4-63.1-5.700110.4A75 S76 G78 A107 W110 Q114 V115 A116A75-Q112 WeakPolarHBondContact O-CG 3.34Å; S76-Q112 PolarHBondContact O-NE2 3.31Å; G78-Q112 VanDerWaalsContact CA-OE1 3.3Å; A107-Q112 HydrophobicContact CB-CB 4.32Å; A107-Q112 PolarHBondContact O-N 3.43Å; W110-Q112 HydrophobicContact CB-CG 4.15Å; Q112-Q114 PolarHBondContact O-N 3.4Å; Q112-V115 HydrophobicContact CB-CB 4.1Å; Q112-V115 HydrophobicContact CB-CG2 4.44Å; Q112-V115 PolarHBondContact O-N 2.87Å; Q112-A116 PolarHBondContact O-N 3.14Å
113D96.2Very high96.6Very high74 Ų7438.9 Ų38.940%0.39620%0.199SC..Hα-helixtrans-52.8-51.1-166.7-62-1.9000113.1G111 V115 A116 E117 L144G111-D113 VanDerWaalsContact C-N 3.32Å; G111-D113 PolarHBondContact O-N 3.02Å; D113-V115 VanDerWaalsContact C-N 3.3Å; D113-V115 PolarHBondContact O-N 2.93Å; D113-A116 PolarHBondContact O-N 3.33Å; D113-E117 WeakPolarHBondContact O-CG 3.13Å; D113-E117 PolarHBondContact O-N 3.28Å; D113-L144 HydrophobicContact CB-CD1 3.98Å; D113-L144 WeakPolarHBondContact OD1-CD2 3Å
114Q96.4Very high96.5Very high116 Ų11638.9 Ų38.954%0.54220%0.2SC..Hα-helixtrans-62.6-36.2-179.5-62.1-175.715.400112.9Q112 D118Q112-Q114 PolarHBondContact O-N 3.4Å; Q114-D118 WeakPolarHBondContact O-CB 3.2Å; Q114-D118 PolarHBondContact O-N 3.37Å
115V97.7Very high96.3Very high3 Ų341.8 Ų41.82%0.01822%0.215CC..Hα-helixtrans-71.5-41.6177.81720000110.7A75 R80 V83 A107 Q112 D113 E117 D118 L119A75-V115 HydrophobicContact CB-CG1 4.13Å; R80-V115 HydrophobicContact CB-CG2 3.92Å; R80-V115 HydrophobicContact CG-CG2 4.37Å; V83-V115 HydrophobicContact CB-CG1 4.49Å; V83-V115 HydrophobicContact CG1-CG1 4.31Å; V83-V115 HydrophobicContact CG2-CG1 3.87Å; A107-V115 HydrophobicContact CB-CG1 4.15Å; Q112-V115 HydrophobicContact CB-CB 4.1Å; Q112-V115 HydrophobicContact CB-CG2 4.44Å; Q112-V115 PolarHBondContact O-N 2.87Å; D113-V115 VanDerWaalsContact C-N 3.3Å; D113-V115 PolarHBondContact O-N 2.93Å; V115-E117 VanDerWaalsContact C-N 3.32Å; V115-E117 PolarHBondContact O-N 2.86Å; V115-D118 PolarHBondContact O-N 3.12Å; V115-L119 HydrophobicContact CG1-CD1 3.98Å; V115-L119 HydrophobicContact CG1-CG 4.32Å; V115-L119 WeakPolarHBondContact O-CB 3.32Å; V115-L119 VanDerWaalsContact O-CG 3.27Å; V115-L119 WeakPolarHBondContact O-CG 3.47Å; V115-L119 PolarHBondContact O-N 2.96Å
116A97.7Very high96.2Very high0 Ų041.8 Ų41.80%022%0.215CC..Hα-helixtrans-61.7-41.9176.800000111.5L104 A107 Q112 D113 L119 V120 L144 L148L104-A116 HydrophobicContact CD1-CB 3.77Å; A107-A116 HydrophobicContact CB-CB 3.97Å; Q112-A116 PolarHBondContact O-N 3.14Å; D113-A116 PolarHBondContact O-N 3.33Å; A116-L119 PolarHBondContact O-N 3.16Å; A116-V120 WeakPolarHBondContact O-CG2 3.48Å; A116-V120 PolarHBondContact O-N 3.45Å; A116-L144 HydrophobicContact CB-CD1 4.25Å; A116-L144 HydrophobicContact CB-CD2 4.23Å; A116-L148 HydrophobicContact CB-CD1 3.99Å; A116-L148 HydrophobicContact CB-CD2 4.07Å
117E96.4Very high96Very high45 Ų4540 Ų4021%0.2121%0.209CC..Hα-helixtrans-61.8-47173.9-74.1-172.4-106.400112.9D113 V115 L119 V120 A121 L147 L148 R151D113-E117 WeakPolarHBondContact O-CG 3.13Å; D113-E117 PolarHBondContact O-N 3.28Å; V115-E117 VanDerWaalsContact C-N 3.32Å; V115-E117 PolarHBondContact O-N 2.86Å; E117-L119 VanDerWaalsContact C-N 3.31Å; E117-L119 PolarHBondContact O-N 3.09Å; E117-V120 PolarHBondContact O-N 2.99Å; E117-A121 WeakPolarHBondContact O-CB 3.48Å; E117-A121 PolarHBondContact O-N 2.99Å; E117-L147 HydrophobicContact CG-CD2 3.91Å; E117-L147 HydrophobicContact CG-CG 4.49Å; E117-L148 HydrophobicContact CG-CD2 4.21Å; E117-R151 IonicContact OE2-NH1 2.74Å; E117-R151 PolarHBondContact OE2-NH1 3.4Å
118D96.1Very high95.7Very high16 Ų1641 Ų419%0.08621%0.214CC..Hα-helixtrans-61.9-39.9177.9-81.25000111.2R80 Q84 Q114 V115 A121 N122R80-D118 WeakPolarHBondContact CG-OD2 3.47Å; R80-D118 IonicContact CZ-OD1 2.61Å; R80-D118 IonicContact CZ-OD2 3.65Å; R80-D118 IonicContact NE-OD1 3.51Å; R80-D118 IonicContact NE-OD2 3.77Å; R80-D118 PolarHBondContact NE-OD2 3.4Å; R80-D118 IonicContact NH2-OD1 3.65Å; R80-D118 PolarHBondContact NH2-OD1 3.1Å; R80-D118 IonicContact NH2-OD2 3.6Å; R80-D118 PolarHBondContact NH2-OD2 2.87Å; Q84-D118 PolarHBondContact NE2-OD2 2.74Å; Q114-D118 WeakPolarHBondContact O-CB 3.2Å; Q114-D118 PolarHBondContact O-N 3.37Å; V115-D118 PolarHBondContact O-N 3.12Å; D118-A121 PolarHBondContact O-N 3.06Å; D118-N122 PolarHBondContact O-N 2.72Å; D118-N122 PolarHBondContact O-ND2 2.88Å
119L97.3Very high95.6Very high0 Ų041.2 Ų41.20%022%0.215CC..Hα-helixtrans-61.9-48.9176-75.5170.3000111.2L71 A75 V83 L87 I93 P103 L104 A107 V115 A116 E117 A121 N122 G123 A124L71-L119 HydrophobicContact CD1-CD2 4.36Å; L71-L119 HydrophobicContact CD2-CD2 4.49Å; A75-L119 HydrophobicContact CB-CD1 4.13Å; V83-L119 HydrophobicContact CG1-CD2 4.01Å; V83-L119 HydrophobicContact CG1-CG 4.32Å; L87-L119 HydrophobicContact CD1-CD2 4.32Å; I93-L119 HydrophobicContact CD1-CD2 4.03Å; I93-L119 WeakPolarHBondContact CD1-O 3.45Å; I93-L119 HydrophobicContact CG1-CD2 3.82Å; P103-L119 HydrophobicContact CB-CD1 4.41Å; L104-L119 HydrophobicContact CB-CD1 4.36Å; L104-L119 HydrophobicContact CD1-CB 4.06Å; L104-L119 HydrophobicContact CD1-CD1 4.17Å; A107-L119 HydrophobicContact CB-CD1 4.09Å; V115-L119 HydrophobicContact CG1-CD1 3.98Å; V115-L119 HydrophobicContact CG1-CG 4.32Å; V115-L119 WeakPolarHBondContact O-CB 3.32Å; V115-L119 VanDerWaalsContact O-CG 3.27Å; V115-L119 WeakPolarHBondContact O-CG 3.47Å; V115-L119 PolarHBondContact O-N 2.96Å; A116-L119 PolarHBondContact O-N 3.16Å; E117-L119 VanDerWaalsContact C-N 3.31Å; E117-L119 PolarHBondContact O-N 3.09Å; L119-A121 VanDerWaalsContact C-N 3.31Å; L119-A121 PolarHBondContact O-N 2.89Å; L119-N122 CarbonylContact O-C 3.55Å; L119-N122 PolarHBondContact O-N 3.27Å; L119-N122 VanDerWaalsContact O-N 3.12Å; L119-G123 PolarHBondContact O-N 2.81Å; L119-A124 VanDerWaalsContact C-CB 3.44Å; L119-A124 HydrophobicContact CB-CB 3.89Å; L119-A124 WeakPolarHBondContact O-CB 3.49Å; L119-A124 PolarHBondContact O-N 3.38Å
120V96.3Very high95.5Very high0 Ų035.6 Ų35.60%019%0.19CC..Hα-helixtrans-61.3-42.5177.1173.50000110.9L104 A116 E117 N122 G123 V126 L148 R151 A152 M155L104-V120 HydrophobicContact CD1-CG2 4.17Å; L104-V120 HydrophobicContact CD2-CG2 3.73Å; A116-V120 WeakPolarHBondContact O-CG2 3.48Å; A116-V120 PolarHBondContact O-N 3.45Å; E117-V120 PolarHBondContact O-N 2.99Å; V120-N122 PolarHBondContact O-N 2.79Å; V120-G123 PolarHBondContact O-N 3.35Å; V120-V126 HydrophobicContact CG1-CG1 4.48Å; V120-V126 HydrophobicContact CG2-CG1 3.71Å; V120-L148 HydrophobicContact CG2-CD2 3.9Å; V120-R151 HydrophobicContact CG1-CB 4.49Å; V120-R151 HydrophobicContact CG1-CG 4.3Å; V120-A152 HydrophobicContact CG1-CB 4.31Å; V120-M155 HydrophobicContact CG1-SD 4.27Å; V120-M155 VanDerWaalsContact O-SD 3.33Å
121A94.5Very high95.3Very high37 Ų3732.5 Ų32.531%0.30618%0.181SC..Hα-helixtrans-60.7-26.5176.900000113.6E117 D118 L119 M155E117-A121 WeakPolarHBondContact O-CB 3.48Å; E117-A121 PolarHBondContact O-N 2.99Å; D118-A121 PolarHBondContact O-N 3.06Å; L119-A121 VanDerWaalsContact C-N 3.31Å; L119-A121 PolarHBondContact O-N 2.89Å; A121-M155 WeakPolarHBondContact O-CE 3.37Å
122N94.2Very high95.2Very high96 Ų9638.7 Ų38.751%0.51320%0.197SC..THydrogen-bonded Turntrans-96.411.8176.6-75.5-85.7000113.6L87 I93 D118 L119 V120L87-N122 HydrophobicContact CD1-CB 3.83Å; I93-N122 HydrophobicContact CD1-CB 3.75Å; D118-N122 PolarHBondContact O-N 2.72Å; D118-N122 PolarHBondContact O-ND2 2.88Å; L119-N122 CarbonylContact O-C 3.55Å; L119-N122 PolarHBondContact O-N 3.27Å; L119-N122 VanDerWaalsContact O-N 3.12Å; V120-N122 PolarHBondContact O-N 2.79Å
123G92.6Very high95Very high29 Ų2937.8 Ų37.830%0.29920%0.203SC..THydrogen-bonded Turntrans96.517.5173.200000115.7N94 L119 V120 L125N94-G123 PolarHBondContact ND2-O 3.3Å; L119-G123 PolarHBondContact O-N 2.81Å; V120-G123 PolarHBondContact O-N 3.35Å; G123-L125 PolarHBondContact O-N 3.44Å
124A94.8Very high94.9Very high1 Ų137 Ų371%0.00820%0.197CC..  trans-64.213117000000109.8I93 L104 L119 Q157I93-A124 HydrophobicContact CD1-CB 3.83Å; I93-A124 HydrophobicContact CG1-CB 3.85Å; L104-A124 HydrophobicContact CB-CB 4.37Å; L104-A124 HydrophobicContact CD2-CB 4.04Å; L119-A124 VanDerWaalsContact C-CB 3.44Å; L119-A124 HydrophobicContact CB-CB 3.89Å; L119-A124 WeakPolarHBondContact O-CB 3.49Å; L119-A124 PolarHBondContact O-N 3.38Å; A124-Q157 PolarHBondContact O-NE2 3.06Å; A124-Q157 PolarHBondContact O-OE1 2.77Å
125L94.3Very high94.9Very high60 Ų6032.1 Ų32.131%0.31417%0.174SC..  trans-84.3118.5-178.1-65.6176.9000110.5N94 G123 S127 I128 I162N94-L125 PolarHBondContact OD1-N 3.12Å; G123-L125 PolarHBondContact O-N 3.44Å; L125-S127 PolarHBondContact O-N 3.4Å; L125-I128 HydrophobicContact CB-CD1 3.76Å; L125-I128 HydrophobicContact CB-CG1 3.78Å; L125-I128 HydrophobicContact CD1-CD1 4.05Å; L125-I128 HydrophobicContact CD1-CG1 4.25Å; L125-I128 HydrophobicContact CG-CD1 4.42Å; L125-I162 HydrophobicContact CD1-CD1 4.28Å
126V95.3Very high94.8Very high2 Ų232 Ų321%0.01217%0.174CC..THydrogen-bonded Turntrans-74.6-9.7177.7-59.60000113.5L104 V120 M135 P136 V137 A152 L159L104-V126 HydrophobicContact CD2-CG1 3.99Å; V120-V126 HydrophobicContact CG1-CG1 4.48Å; V120-V126 HydrophobicContact CG2-CG1 3.71Å; V126-M135 WeakPolarHBondContact O-CB 3.46Å; V126-P136 WeakPolarHBondContact O-CD 3.38Å; V126-V137 HydrophobicContact CB-CG1 4.01Å; V126-V137 HydrophobicContact CG1-CG1 4.19Å; V126-A152 HydrophobicContact CB-CB 4.37Å; V126-A152 HydrophobicContact CG1-CB 3.85Å; V126-A152 HydrophobicContact CG2-CB 3.57Å; V126-L159 HydrophobicContact CG2-CD2 3.46Å; V126-L159 VanDerWaalsContact CG2-CD2 3.46Å
127S94.1Very high94.6Very high3 Ų332.1 Ų32.12%0.02117%0.174CC..THydrogen-bonded Turntrans-100.1-6.5-173.152.80000114.9L125 C129 N158 N160 I162L125-S127 PolarHBondContact O-N 3.4Å; S127-C129 PolarHBondContact O-N 3.2Å; S127-N158 WeakPolarHBondContact CB-O 3.33Å; S127-N158 PolarHBondContact OG-O 2.84Å; S127-N160 VanDerWaalsContact CB-O 3.29Å; S127-N160 WeakPolarHBondContact CB-O 3.43Å; S127-I162 PolarHBondContact O-N 2.73Å; S127-I162 WeakPolarHBondContact OG-CD1 3.41Å
128I92.6Very high94.6Very high21 Ų2131.9 Ų31.911%0.10818%0.175CC..BIsolated β-bridgetrans-65.9120177.3-64.1173.3000109.3N94 V102 H105 L125 P136 I162N94-I128 HydrophobicContact CB-CD1 3.85Å; V102-I128 HydrophobicContact CG1-CB 4.47Å; V102-I128 HydrophobicContact CG1-CD1 3.97Å; V102-I128 HydrophobicContact CG1-CG2 3.96Å; H105-I128 PolarHBondContact CE1-O 3.49Å; H105-I128 VanDerWaalsContact CE1-O 3.23Å; L125-I128 HydrophobicContact CB-CD1 3.76Å; L125-I128 HydrophobicContact CB-CG1 3.78Å; L125-I128 HydrophobicContact CD1-CD1 4.05Å; L125-I128 HydrophobicContact CD1-CG1 4.25Å; L125-I128 HydrophobicContact CG-CD1 4.42Å; I128-P136 VanDerWaalsContact O-CD 3.25Å; I128-P136 WeakPolarHBondContact O-CD 3.23Å; I128-I162 HydrophobicContact CG1-CD1 4.37Å
129C94.9Very high94.5Very high4 Ų434.2 Ų34.23%0.02718%0.184CC..  trans-87.4139174.2-63.50000110.8S127 E134 I162 Y164S127-C129 PolarHBondContact O-N 3.2Å; C129-E134 WeakPolarHBondContact CA-O 3.42Å; C129-I162 WeakPolarHBondContact CB-O 3.46Å; C129-I162 PolarHBondContact N-O 3.35Å; C129-Y164 WeakPolarHBondContact O-CB 3.18Å
130N94.4Very high94.3Very high2 Ų234.4 Ų34.41%0.01119%0.186CC..  trans-75.9-176.616870.912.4000111.9G100 N101 Y132 G133 E134 Y164G100-N130 WeakPolarHBondContact O-CA 3.17Å; N101-N130 VanDerWaalsContact OD1-CB 3.23Å; N101-N130 WeakPolarHBondContact OD1-CB 3.42Å; N101-N130 PolarHBondContact OD1-ND2 3.15Å; N130-Y132 PolarHBondContact O-N 3.33Å; N130-Y132 VanDerWaalsContact O-N 3.1Å; N130-Y132 WeakPolarHBondContact OD1-CA 3.18Å; N130-Y132 WeakPolarHBondContact OD1-CB 3.37Å; N130-Y132 PolarHBondContact OD1-N 2.89Å; N130-G133 PolarHBondContact O-N 2.75Å; N130-G133 PolarHBondContact OD1-N 3.32Å; N130-E134 PolarHBondContact N-O 3.34Å; N130-E134 PolarHBondContact ND2-OE2 3.3Å; N130-E134 PolarHBondContact OD1-N 2.9Å; N130-E134 PolarHBondContact OD1-O 3.28Å; N130-Y164 WeakPolarHBondContact O-CB 3.16Å
131K93.3Very high94.2Very high91 Ų9141.9 Ų41.940%0.39622%0.218SC..THydrogen-bonded Turntrans-58.6-21.1177.7-78.4-174.3177.1178.60114.4E98 H99 Y164E98-K131 WeakPolarHBondContact O-CD 3.23Å; E98-K131 WeakPolarHBondContact O-CE 3.5Å; E98-K131 PolarHBondContact O-NZ 3.14Å; H99-K131 WeakPolarHBondContact O-CB 3.37Å; H99-K131 WeakPolarHBondContact O-CG 3.37Å; H99-K131 PolarHBondContact O-N 3.01Å; K131-Y164 HydrophobicContact CB-CD1 4.48Å; K131-Y164 HydrophobicContact CD-CE1 4.02Å; K131-Y164 VanDerWaalsContact CE-CE1 3.4Å; K131-Y164 WeakPolarHBondContact CE-OH 3.09Å; K131-Y164 HydrophobicContact CG-CD1 3.57Å; K131-Y164 HydrophobicContact CG-CD2 4.34Å; K131-Y164 HydrophobicContact CG-CE1 3.39Å; K131-Y164 HydrophobicContact CG-CE2 4.19Å; K131-Y164 HydrophobicContact CG-CG 4.04Å
132Y93.3Very high94.1Very high156 Ų15643.1 Ų43.161%0.61223%0.228SC*.THydrogen-bonded Turntrans-92.92.3178.9-49.6-71.5000112.7N130 E134N130-Y132 PolarHBondContact O-N 3.33Å; N130-Y132 VanDerWaalsContact O-N 3.1Å; N130-Y132 WeakPolarHBondContact OD1-CA 3.18Å; N130-Y132 WeakPolarHBondContact OD1-CB 3.37Å; N130-Y132 PolarHBondContact OD1-N 2.89Å; Y132-E134 VanDerWaalsContact C-N 3.27Å; Y132-E134 WeakPolarHBondContact CB-OE2 3.32Å; Y132-E134 PolarHBondContact O-N 3.08Å
133G93.1Very high94Very high38 Ų3843.6 Ų43.639%0.39224%0.237SC..SBendtrans78.48.9-178.500000114.1N130 R161N130-G133 PolarHBondContact O-N 2.75Å; N130-G133 PolarHBondContact OD1-N 3.32Å; G133-R161 PolarHBondContact O-NH1 3.2Å
134E94.5Very high94.1Very high56 Ų5642.3 Ų42.326%0.26222%0.223SC..  trans-91.1137.6-177.4-56.3167.1115.800110H105 C129 N130 Y132 D138 K139H105-E134 PolarHBondContact NE2-O 2.89Å; C129-E134 WeakPolarHBondContact CA-O 3.42Å; N130-E134 PolarHBondContact N-O 3.34Å; N130-E134 PolarHBondContact ND2-OE2 3.3Å; N130-E134 PolarHBondContact OD1-N 2.9Å; N130-E134 PolarHBondContact OD1-O 3.28Å; Y132-E134 VanDerWaalsContact C-N 3.27Å; Y132-E134 WeakPolarHBondContact CB-OE2 3.32Å; Y132-E134 PolarHBondContact O-N 3.08Å; E134-D138 HydrophobicContact CB-CB 4.3Å; E134-K139 VanDerWaalsContact CD-CE 3.41Å; E134-K139 WeakPolarHBondContact OE1-CE 3.44Å; E134-K139 IonicContact OE1-NZ 2.7Å; E134-K139 PolarHBondContact OE1-NZ 2.91Å; E134-K139 WeakPolarHBondContact OE2-CE 3.43Å; E134-K139 IonicContact OE2-NZ 2.63Å; E134-K139 PolarHBondContact OE2-NZ 3.49Å
135M95.4Very high94.1Very high14 Ų1445.9 Ų45.97%0.06924%0.236CC..  trans-84.2162.1170.9-67.6-178.1-58.800110.8V126 V137 D138 K139 R161V126-M135 WeakPolarHBondContact O-CB 3.46Å; M135-V137 HydrophobicContact CB-CG2 3.87Å; M135-V137 HydrophobicContact CE-CG2 3.94Å; M135-V137 PolarHBondContact O-N 3.46Å; M135-D138 PolarHBondContact N-OD2 3.42Å; M135-D138 WeakPolarHBondContact O-CB 3.45Å; M135-D138 PolarHBondContact O-N 2.98Å; M135-K139 PolarHBondContact O-N 3.45Å; M135-R161 HydrophobicContact CE-CG 4.44Å; M135-R161 HydrophobicContact CG-CG 4.26Å; M135-R161 HydrophobicContact SD-CG 3.8Å
136P95.2Very high94Very high0 Ų048.2 Ų48.20%025%0.246CC..Hα-helixtrans-53.3-41.4174.6-22.926.5000112.8V102 L104 H105 C108 V126 I128 D138 K139 A140V102-P136 HydrophobicContact CG2-CG 4.08Å; L104-P136 HydrophobicContact CB-CB 4.02Å; L104-P136 HydrophobicContact CB-CG 4.19Å; L104-P136 HydrophobicContact CD2-CB 3.78Å; L104-P136 HydrophobicContact CD2-CG 3.98Å; L104-P136 HydrophobicContact CG-CB 3.58Å; L104-P136 HydrophobicContact CG-CG 4.11Å; H105-P136 VanDerWaalsContact CE1-CD 3.41Å; H105-P136 WeakPolarHBondContact CE1-CD 3.26Å; H105-P136 WeakPolarHBondContact NE2-CD 3.46Å; C108-P136 WeakPolarHBondContact CB-O 3.36Å; C108-P136 PolarHBondContact SG-O 2.78Å; C108-P136 VanDerWaalsContact SG-O 3.33Å; V126-P136 WeakPolarHBondContact O-CD 3.38Å; I128-P136 VanDerWaalsContact O-CD 3.25Å; I128-P136 WeakPolarHBondContact O-CD 3.23Å; P136-D138 VanDerWaalsContact C-N 3.26Å; P136-D138 PolarHBondContact O-N 3.05Å; P136-K139 WeakPolarHBondContact O-CB 3.34Å; P136-K139 PolarHBondContact O-N 3.13Å; P136-K139 VanDerWaalsContact O-N 3.16Å; P136-A140 PolarHBondContact O-N 2.92Å
137V94.5Very high94Very high3 Ų351.2 Ų51.22%0.01826%0.261CS..Hα-helixtrans-67.7-22.5178.5-66.20000113.5V126 M135 K139 A140 R145 L148 R149V126-V137 HydrophobicContact CB-CG1 4.01Å; V126-V137 HydrophobicContact CG1-CG1 4.19Å; M135-V137 HydrophobicContact CB-CG2 3.87Å; M135-V137 HydrophobicContact CE-CG2 3.94Å; M135-V137 PolarHBondContact O-N 3.46Å; V137-K139 VanDerWaalsContact C-N 3.3Å; V137-A140 PolarHBondContact O-N 3.06Å; V137-R145 HydrophobicContact CB-CG 4.27Å; V137-R145 WeakPolarHBondContact O-CG 3.29Å; V137-R145 PolarHBondContact O-NE 2.52Å; V137-L148 HydrophobicContact CG1-CB 3.93Å; V137-L148 HydrophobicContact CG1-CD1 4.31Å; V137-R149 HydrophobicContact CG1-CG 4.46Å
138D95Very high94Very high41 Ų4151.1 Ų51.122%0.21926%0.26CS..Hα-helixtrans-71.6-30175.3-63.8-25.3000110.3E134 M135 P136 R145 R161E134-D138 HydrophobicContact CB-CB 4.3Å; M135-D138 PolarHBondContact N-OD2 3.42Å; M135-D138 WeakPolarHBondContact O-CB 3.45Å; M135-D138 PolarHBondContact O-N 2.98Å; P136-D138 VanDerWaalsContact C-N 3.26Å; P136-D138 PolarHBondContact O-N 3.05Å; D138-R145 PolarHBondContact O-NH2 3.45Å; D138-R161 IonicContact OD1-NH2 2.97Å; D138-R161 IonicContact OD2-CZ 3.72Å; D138-R161 IonicContact OD2-NH1 2.84Å; D138-R161 PolarHBondContact OD2-NH1 2.82Å; D138-R161 IonicContact OD2-NH2 3.67Å; D138-R161 PolarHBondContact OD2-NH2 2.99Å; D138-R161 VanDerWaalsContact OD2-NH2 3.13Å
139K94.2Very high94.1Very high64 Ų6454.1 Ų54.128%0.27827%0.27SS..Hα-helixtrans-78.6-17.1174.2-64-57.2-163-173.70114.3C108 F109 E134 M135 P136 V137C108-K139 HydrophobicContact CB-CB 4.24Å; F109-K139 HydrophobicContact CB-CB 4.2Å; F109-K139 HydrophobicContact CD2-CD 4.21Å; E134-K139 VanDerWaalsContact CD-CE 3.41Å; E134-K139 WeakPolarHBondContact OE1-CE 3.44Å; E134-K139 IonicContact OE1-NZ 2.7Å; E134-K139 PolarHBondContact OE1-NZ 2.91Å; E134-K139 WeakPolarHBondContact OE2-CE 3.43Å; E134-K139 IonicContact OE2-NZ 2.63Å; E134-K139 PolarHBondContact OE2-NZ 3.49Å; M135-K139 PolarHBondContact O-N 3.45Å; P136-K139 WeakPolarHBondContact O-CB 3.34Å; P136-K139 PolarHBondContact O-N 3.13Å; P136-K139 VanDerWaalsContact O-N 3.16Å; V137-K139 VanDerWaalsContact C-N 3.3Å
140A94.7Very high94Very high4 Ų458.5 Ų58.53%0.03329%0.291CS..SBendtrans-75.6150.9-179.100000112.4C108 P136 V137 L144 R145C108-A140 HydrophobicContact CB-CB 3.9Å; P136-A140 PolarHBondContact O-N 2.92Å; V137-A140 PolarHBondContact O-N 3.06Å; A140-L144 HydrophobicContact CB-CB 4.17Å; A140-L144 HydrophobicContact CB-CD2 3.89Å; A140-L144 HydrophobicContact CB-CG 4.03Å; A140-R145 HydrophobicContact CB-CB 4.2Å; A140-R145 PolarHBondContact O-NH2 2.67Å
141K93.6Very high94Very high157 Ų15762.6 Ų62.668%0.68331%0.306SS*.  trans-63.9155.3165.4-65.6178.5-177.5171.30110.1L144 R145K141-L144 PolarHBondContact O-N 2.52Å; K141-L144 VanDerWaalsContact O-N 3.15Å; K141-R145 PolarHBondContact O-N 3Å
142A91.9Very high94Very high63 Ų6358.2 Ų58.252%0.52129%0.287SS..Hα-helixtrans-51.1-45.4-173.500000114.9L144 R145 E146A142-L144 PolarHBondContact O-N 2.8Å; A142-R145 PolarHBondContact O-N 3.09Å; A142-E146 PolarHBondContact O-N 3.21Å
143P93.3Very high94Very high106 Ų10656.4 Ų56.469%0.68828%0.284SS*.Hα-helixtrans-62.8-44.8179.5-22.134000113.1L147P143-L147 WeakPolarHBondContact O-CB 3.23Å; P143-L147 PolarHBondContact O-N 2.91Å
144L93.8Very high94Very high3 Ų362.1 Ų62.12%0.01630%0.298CS..Hα-helixtrans-67.1-39.317917964.1000111.4D113 A116 A140 K141 A142 E146 L147 L148D113-L144 HydrophobicContact CB-CD1 3.98Å; D113-L144 WeakPolarHBondContact OD1-CD2 3Å; A116-L144 HydrophobicContact CB-CD1 4.25Å; A116-L144 HydrophobicContact CB-CD2 4.23Å; A140-L144 HydrophobicContact CB-CB 4.17Å; A140-L144 HydrophobicContact CB-CD2 3.89Å; A140-L144 HydrophobicContact CB-CG 4.03Å; K141-L144 PolarHBondContact O-N 2.52Å; K141-L144 VanDerWaalsContact O-N 3.15Å; A142-L144 PolarHBondContact O-N 2.8Å; L144-E146 PolarHBondContact O-N 3.15Å; L144-L147 PolarHBondContact O-N 2.85Å; L144-L148 HydrophobicContact CD1-CD1 3.9Å; L144-L148 HydrophobicContact CD1-CD2 4.11Å; L144-L148 HydrophobicContact CD1-CG 3.78Å; L144-L148 HydrophobicContact CD2-CD1 4.21Å; L144-L148 HydrophobicContact CG-CD1 3.74Å; L144-L148 HydrophobicContact CG-CG 4.05Å; L144-L148 WeakPolarHBondContact O-CB 3.13Å; L144-L148 VanDerWaalsContact O-CG 3.26Å; L144-L148 WeakPolarHBondContact O-CG 3.33Å; L144-L148 PolarHBondContact O-N 2.97Å
145R94.2Very high93.8Very high76 Ų7663.8 Ų63.829%0.28731%0.307SS..Hα-helixtrans-56.3-51.3178.9177.5-176.1-60.8159.54.3111.9V137 D138 A140 K141 A142 L148 R149V137-R145 HydrophobicContact CB-CG 4.27Å; V137-R145 WeakPolarHBondContact O-CG 3.29Å; V137-R145 PolarHBondContact O-NE 2.52Å; D138-R145 PolarHBondContact O-NH2 3.45Å; A140-R145 HydrophobicContact CB-CB 4.2Å; A140-R145 PolarHBondContact O-NH2 2.67Å; K141-R145 PolarHBondContact O-N 3Å; A142-R145 PolarHBondContact O-N 3.09Å; R145-L148 PolarHBondContact O-N 3.26Å; R145-R149 WeakPolarHBondContact O-CG 2.95Å; R145-R149 PolarHBondContact O-N 2.92Å
146E93.7Very high93.6Very high109 Ų10966.4 Ų66.451%0.50934%0.337SS..Hα-helixtrans-66.3-41.5-178.4-60.1-46.8127.600111A142 L144 L148 R149 E150A142-E146 PolarHBondContact O-N 3.21Å; L144-E146 PolarHBondContact O-N 3.15Å; E146-L148 PolarHBondContact O-N 2.78Å; E146-R149 PolarHBondContact O-N 2.84Å; E146-E150 WeakPolarHBondContact O-CB 2.96Å; E146-E150 PolarHBondContact O-N 3.43Å
147L94.1Very high93.4Very high65 Ų6567.8 Ų67.834%0.3434%0.344SS..Hα-helixtrans-58.6-47.3176.2-178.765.5000112.6E117 P143 L144 R151E117-L147 HydrophobicContact CG-CD2 3.91Å; E117-L147 HydrophobicContact CG-CG 4.49Å; P143-L147 WeakPolarHBondContact O-CB 3.23Å; P143-L147 PolarHBondContact O-N 2.91Å; L144-L147 PolarHBondContact O-N 2.85Å; L147-R151 VanDerWaalsContact O-CB 3.31Å; L147-R151 WeakPolarHBondContact O-CB 3.47Å; L147-R151 PolarHBondContact O-N 3.26Å
148L94.8Very high93.1Very high0 Ų072.6 Ų72.60%037%0.369CS..Hα-helixtrans-68.7-35.6-179.7-66.4177.4000112.1C108 A116 E117 V120 V137 L144 R145 E146 A152C108-L148 WeakPolarHBondContact SG-CD1 3.17Å; A116-L148 HydrophobicContact CB-CD1 3.99Å; A116-L148 HydrophobicContact CB-CD2 4.07Å; E117-L148 HydrophobicContact CG-CD2 4.21Å; V120-L148 HydrophobicContact CG2-CD2 3.9Å; V137-L148 HydrophobicContact CG1-CB 3.93Å; V137-L148 HydrophobicContact CG1-CD1 4.31Å; L144-L148 HydrophobicContact CD1-CD1 3.9Å; L144-L148 HydrophobicContact CD1-CD2 4.11Å; L144-L148 HydrophobicContact CD1-CG 3.78Å; L144-L148 HydrophobicContact CD2-CD1 4.21Å; L144-L148 HydrophobicContact CG-CD1 3.74Å; L144-L148 HydrophobicContact CG-CG 4.05Å; L144-L148 WeakPolarHBondContact O-CB 3.13Å; L144-L148 VanDerWaalsContact O-CG 3.26Å; L144-L148 WeakPolarHBondContact O-CG 3.33Å; L144-L148 PolarHBondContact O-N 2.97Å; R145-L148 PolarHBondContact O-N 3.26Å; E146-L148 PolarHBondContact O-N 2.78Å; L148-A152 VanDerWaalsContact O-CB 3.25Å; L148-A152 WeakPolarHBondContact O-CB 3.1Å; L148-A152 PolarHBondContact O-N 3.49Å
149R94.1Very high92.8Very high84 Ų8473.3 Ų73.332%0.31737%0.373SS..Hα-helixtrans-64.3-51.5174.7-76.5177.9175-147.3-0.4111.2V137 R145 E146 R151 A152 E153V137-R149 HydrophobicContact CG1-CG 4.46Å; R145-R149 WeakPolarHBondContact O-CG 2.95Å; R145-R149 PolarHBondContact O-N 2.92Å; E146-R149 PolarHBondContact O-N 2.84Å; R149-R151 PolarHBondContact O-N 3.29Å; R149-A152 PolarHBondContact O-N 3.42Å; R149-E153 WeakPolarHBondContact O-CG 3.15Å; R149-E153 PolarHBondContact O-N 3.11Å
150E93.2Very high92.6Very high97 Ų9775.8 Ų75.845%0.45339%0.389SS..Hα-helixtrans-57.2-41.9177.7-171.1-167.7155.100111E146 K154E146-E150 WeakPolarHBondContact O-CB 2.96Å; E146-E150 PolarHBondContact O-N 3.43Å; E150-K154 HydrophobicContact CG-CD 4.43Å; E150-K154 WeakPolarHBondContact O-CB 3.24Å; E150-K154 WeakPolarHBondContact O-CG 3.36Å; E150-K154 PolarHBondContact O-N 3.33Å; E150-K154 WeakPolarHBondContact OE1-CE 3.09Å; E150-K154 IonicContact OE1-NZ 3.38Å; E150-K154 PolarHBondContact OE1-NZ 2.87Å
151R93.7Very high92.4Very high87 Ų8781.7 Ų81.733%0.32841%0.41SS..Hα-helixtrans-68.4-41.9178.6-165.3162.7-171.1156.6-0.4112.6E117 V120 L147 R149 K154 M155E117-R151 IonicContact OE2-NH1 2.74Å; E117-R151 PolarHBondContact OE2-NH1 3.4Å; V120-R151 HydrophobicContact CG1-CB 4.49Å; V120-R151 HydrophobicContact CG1-CG 4.3Å; L147-R151 VanDerWaalsContact O-CB 3.31Å; L147-R151 WeakPolarHBondContact O-CB 3.47Å; L147-R151 PolarHBondContact O-N 3.26Å; R149-R151 PolarHBondContact O-N 3.29Å; R151-K154 PolarHBondContact O-N 3.32Å; R151-M155 WeakPolarHBondContact O-CG 3.4Å; R151-M155 PolarHBondContact O-N 2.82Å; R151-M155 VanDerWaalsContact O-N 3.12Å
152A93.4Very high92.2Very high0 Ų077.9 Ų77.90%040%0.397CS..Hα-helixtrans-64.6-39.7176.500000112.1V120 V126 L148 R149 M155 G156 Q157 L159V120-A152 HydrophobicContact CG1-CB 4.31Å; V126-A152 HydrophobicContact CB-CB 4.37Å; V126-A152 HydrophobicContact CG1-CB 3.85Å; V126-A152 HydrophobicContact CG2-CB 3.57Å; L148-A152 VanDerWaalsContact O-CB 3.25Å; L148-A152 WeakPolarHBondContact O-CB 3.1Å; L148-A152 PolarHBondContact O-N 3.49Å; R149-A152 PolarHBondContact O-N 3.42Å; A152-M155 CarbonylContact O-C 3.58Å; A152-M155 PolarHBondContact O-N 3.03Å; A152-G156 PolarHBondContact O-N 3.47Å; A152-Q157 HydrophobicContact CB-CB 4.2Å; A152-Q157 HydrophobicContact CB-CG 4.37Å; A152-Q157 WeakPolarHBondContact O-CB 3.15Å; A152-Q157 PolarHBondContact O-N 2.82Å; A152-L159 HydrophobicContact CB-CD2 4.13Å
153E93.2Very high92Very high117 Ų11779 Ų7955%0.54740%0.399SS..Hα-helixtrans-63.2-45.4173.8-72.6177.117400111.8R149 M155 G156 L159R149-E153 WeakPolarHBondContact O-CG 3.15Å; R149-E153 PolarHBondContact O-N 3.11Å; E153-M155 PolarHBondContact O-N 2.99Å; E153-G156 PolarHBondContact O-N 2.98Å; E153-L159 HydrophobicContact CG-CD1 3.7Å; E153-L159 HydrophobicContact CG-CG 4.32Å; E153-L159 VanDerWaalsContact OE1-CD1 3.27Å; E153-L159 WeakPolarHBondContact OE1-CD1 3.21Å
154K92.8Very high91.6Very high159 Ų15976.4 Ų76.469%0.69138%0.376SS*.Hα-helixtrans-59-28.8174.7-78.6172.9172.9170.80113E150 R151 G156E150-K154 HydrophobicContact CG-CD 4.43Å; E150-K154 WeakPolarHBondContact O-CB 3.24Å; E150-K154 WeakPolarHBondContact O-CG 3.36Å; E150-K154 PolarHBondContact O-N 3.33Å; E150-K154 WeakPolarHBondContact OE1-CE 3.09Å; E150-K154 IonicContact OE1-NZ 3.38Å; E150-K154 PolarHBondContact OE1-NZ 2.87Å; R151-K154 PolarHBondContact O-N 3.32Å; K154-G156 VanDerWaalsContact C-N 3.33Å
155M91.6Very high90.8Very high91 Ų9184.1 Ų84.145%0.44841%0.409SS..THydrogen-bonded Turntrans-871.7175.2-68.3-174.572.300113.8V120 A121 R151 A152 E153V120-M155 HydrophobicContact CG1-SD 4.27Å; V120-M155 VanDerWaalsContact O-SD 3.33Å; A121-M155 WeakPolarHBondContact O-CE 3.37Å; R151-M155 WeakPolarHBondContact O-CG 3.4Å; R151-M155 PolarHBondContact O-N 2.82Å; R151-M155 VanDerWaalsContact O-N 3.12Å; A152-M155 CarbonylContact O-C 3.58Å; A152-M155 PolarHBondContact O-N 3.03Å; E153-M155 PolarHBondContact O-N 2.99Å
156G91Very high89.3Confident68 Ų6885 Ų8570%0.70142%0.419SS*.THydrogen-bonded Turntrans73.921179.600000114.5A152 E153 K154A152-G156 PolarHBondContact O-N 3.47Å; E153-G156 PolarHBondContact O-N 2.98Å; K154-G156 VanDerWaalsContact C-N 3.33Å
157Q91.2Very high87.4Confident29 Ų2983.1 Ų83.114%0.13642%0.416CS..  trans-70.5140.3175.8-64.2-164.914.500111.4A124 A152 L159A124-Q157 PolarHBondContact O-NE2 3.06Å; A124-Q157 PolarHBondContact O-OE1 2.77Å; A152-Q157 HydrophobicContact CB-CB 4.2Å; A152-Q157 HydrophobicContact CB-CG 4.37Å; A152-Q157 WeakPolarHBondContact O-CB 3.15Å; A152-Q157 PolarHBondContact O-N 2.82Å; Q157-L159 PolarHBondContact O-N 2.8Å
158N88.1Confident85Confident105 Ų10583.8 Ų83.856%0.56142%0.416SS*.  trans-79.4117.9170.1-170.7-20.5000110S127 N160S127-N158 WeakPolarHBondContact CB-O 3.33Å; S127-N158 PolarHBondContact OG-O 2.84Å; N158-N160 PolarHBondContact O-N 2.82Å; N158-N160 VanDerWaalsContact OD1-CB 3.23Å; N158-N160 WeakPolarHBondContact OD1-CB 3.36Å; N158-N160 PolarHBondContact OD1-N 2.84Å; N158-N160 PolarHBondContact OD1-ND2 3.34Å
159L87.3Confident81.9Confident55 Ų5593.5 Ų93.529%0.28845%0.453SS..  trans-79.81.2-178.9-58.6-174.7000114.1V126 A152 E153 Q157 R161V126-L159 HydrophobicContact CG2-CD2 3.46Å; V126-L159 VanDerWaalsContact CG2-CD2 3.46Å; A152-L159 HydrophobicContact CB-CD2 4.13Å; E153-L159 HydrophobicContact CG-CD1 3.7Å; E153-L159 HydrophobicContact CG-CG 4.32Å; E153-L159 VanDerWaalsContact OE1-CD1 3.27Å; E153-L159 WeakPolarHBondContact OE1-CD1 3.21Å; Q157-L159 PolarHBondContact O-N 2.8Å; L159-R161 PolarHBondContact O-N 2.96Å
160N90.3Very high79Confident116 Ų11699.7 Ų99.762%0.6248%0.482SS*.SBendtrans-63.5128.1174-70.9-19.3000110.6S127 N158 I162S127-N160 VanDerWaalsContact CB-O 3.29Å; S127-N160 WeakPolarHBondContact CB-O 3.43Å; N158-N160 PolarHBondContact O-N 2.82Å; N158-N160 VanDerWaalsContact OD1-CB 3.23Å; N158-N160 WeakPolarHBondContact OD1-CB 3.36Å; N158-N160 PolarHBondContact OD1-N 2.84Å; N158-N160 PolarHBondContact OD1-ND2 3.34Å; N160-I162 PolarHBondContact O-N 3.04Å; N160-I162 VanDerWaalsContact O-N 3.17Å
161R90.5Very high76.1Confident128 Ų12898.9 Ų98.948%0.48350%0.499SS..  trans-51.3120.3178.5-71.8-173.7-173.3-91.1-9.5111G133 M135 D138 L159 P163G133-R161 PolarHBondContact O-NH1 3.2Å; M135-R161 HydrophobicContact CE-CG 4.44Å; M135-R161 HydrophobicContact CG-CG 4.26Å; M135-R161 HydrophobicContact SD-CG 3.8Å; D138-R161 IonicContact OD1-NH2 2.97Å; D138-R161 IonicContact OD2-CZ 3.72Å; D138-R161 IonicContact OD2-NH1 2.84Å; D138-R161 PolarHBondContact OD2-NH1 2.82Å; D138-R161 IonicContact OD2-NH2 3.67Å; D138-R161 PolarHBondContact OD2-NH2 2.99Å; D138-R161 VanDerWaalsContact OD2-NH2 3.13Å; L159-R161 PolarHBondContact O-N 2.96Å; R161-P163 WeakPolarHBondContact O-CD 3.45Å
162I89.8Confident73.2Confident78 Ų7899.2 Ų99.240%0.451%0.511SS..BIsolated β-bridgetrans-89.3106.3169.9-58.7172000106.4L125 S127 I128 C129 N160L125-I162 HydrophobicContact CD1-CD1 4.28Å; S127-I162 PolarHBondContact O-N 2.73Å; S127-I162 WeakPolarHBondContact OG-CD1 3.41Å; I128-I162 HydrophobicContact CG1-CD1 4.37Å; C129-I162 WeakPolarHBondContact CB-O 3.46Å; C129-I162 PolarHBondContact N-O 3.35Å; N160-I162 PolarHBondContact O-N 3.04Å; N160-I162 VanDerWaalsContact O-N 3.17Å
163P88.1Confident70.1Confident87 Ų87103.4 Ų103.457%0.56554%0.537SS*.  trans-66142.9-174.326.8-34.3000111.2R161 K165R161-P163 WeakPolarHBondContact O-CD 3.45Å; P163-K165 PolarHBondContact O-N 3.29Å; P163-K165 VanDerWaalsContact O-N 3.16Å
164Y85.2Confident67.2Low51 Ų51108 Ų10820%0.255%0.549CS..  trans-58.7119.9170.6-179.8-101.4000109.6C129 N130 K131 D166C129-Y164 WeakPolarHBondContact O-CB 3.18Å; N130-Y164 WeakPolarHBondContact O-CB 3.16Å; K131-Y164 HydrophobicContact CB-CD1 4.48Å; K131-Y164 HydrophobicContact CD-CE1 4.02Å; K131-Y164 VanDerWaalsContact CE-CE1 3.4Å; K131-Y164 WeakPolarHBondContact CE-OH 3.09Å; K131-Y164 HydrophobicContact CG-CD1 3.57Å; K131-Y164 HydrophobicContact CG-CD2 4.34Å; K131-Y164 HydrophobicContact CG-CE1 3.39Å; K131-Y164 HydrophobicContact CG-CE2 4.19Å; K131-Y164 HydrophobicContact CG-CG 4.04Å; Y164-D166 HydrophobicContact CD1-CB 4.44Å; Y164-D166 HydrophobicContact CE1-CB 3.82Å
165K76.4Confident64.4Low165 Ų165104.2 Ų104.272%0.71754%0.54SS*.  trans-96.7110.8170.9-69.5-176.8-179177.90108P163 T167P163-K165 PolarHBondContact O-N 3.29Å; P163-K165 VanDerWaalsContact O-N 3.16Å; K165-T167 PolarHBondContact O-N 3.37Å
166D62.7Low62.1Low94 Ų94103.8 Ų103.850%0.50353%0.533SS..  trans-65.2103.6172.1-158.8-12000108.5Y164 F168Y164-D166 HydrophobicContact CD1-CB 4.44Å; Y164-D166 HydrophobicContact CE1-CB 3.82Å; D166-F168 VanDerWaalsContact C-N 3.26Å; D166-F168 VanDerWaalsContact OD1-CB 3.31Å; D166-F168 WeakPolarHBondContact OD1-CB 3.24Å; D166-F168 WeakPolarHBondContact OD1-CD2 3.41Å; D166-F168 PolarHBondContact OD1-N 3.22Å; D166-F168 VanDerWaalsContact OD1-N 3.1Å
167T53.2Low59.7Low70 Ų70102.5 Ų102.543%0.42951%0.512SS..  trans-89.64177.444.60000111.5K165 W169K165-T167 PolarHBondContact O-N 3.37Å; T167-W169 VanDerWaalsContact C-N 3.33Å; T167-W169 PolarHBondContact O-N 3.04Å
168F43.4Very low57.6Low79 Ų79106.7 Ų106.735%0.34653%0.527SS..  trans-78.980.5170.7-70.4-78000111.2D166 K170 R178D166-F168 VanDerWaalsContact C-N 3.26Å; D166-F168 VanDerWaalsContact OD1-CB 3.31Å; D166-F168 WeakPolarHBondContact OD1-CB 3.24Å; D166-F168 WeakPolarHBondContact OD1-CD2 3.41Å; D166-F168 PolarHBondContact OD1-N 3.22Å; D166-F168 VanDerWaalsContact OD1-N 3.1Å; F168-K170 PolarHBondContact O-N 2.94Å; F168-R178 VanDerWaalsContact CE1-CZ 3.4Å
169W31Very low55.5Low203 Ų203105 Ų10577%0.76952%0.518SS*.  trans-67.3113162.5-9580.8000109.8T167 G171 T172T167-W169 VanDerWaalsContact C-N 3.33Å; T167-W169 PolarHBondContact O-N 3.04Å; W169-G171 VanDerWaalsContact C-N 3.3Å; W169-G171 PolarHBondContact O-N 3.3Å; W169-T172 PolarHBondContact O-N 3.12Å
170K33Very low53.5Low215 Ų215102.6 Ų102.694%0.93551%0.506SS*.THydrogen-bonded Turntrans-55.290.1164.9-70.6178.7177.4177.70109.1F168F168-K170 PolarHBondContact O-N 2.94Å
171G31.4Very low51.7Low79 Ų7998.1 Ų98.181%0.81448%0.483SS*.THydrogen-bonded Turntrans141.4-15.1174.400000116.1W169W169-G171 VanDerWaalsContact C-N 3.3Å; W169-G171 PolarHBondContact O-N 3.3Å
172T33.4Very low49.8Very low95 Ų9592.3 Ų92.358%0.58346%0.462SS*.  trans-133.2110177.142.70000110W169 R174W169-T172 PolarHBondContact O-N 3.12Å; T172-R174 PolarHBondContact O-N 3.38Å
173T28.9Very low48.2Very low88 Ų8889.4 Ų89.454%0.5445%0.447SS..  trans-58.285.1163.242.70000108.8T175 R211T173-T175 PolarHBondContact O-N 2.97Å; T173-R211 PolarHBondContact OG1-NH2 2.72Å
174R32Very low46.4Very low214 Ų21493.4 Ų93.481%0.80846%0.455SS*.  trans-65.3100.8147.2-79.1-170.991.3145.92.5104.4T172 R176T172-R174 PolarHBondContact O-N 3.38Å; R174-R176 PolarHBondContact O-N 2.68Å
175T34.7Very low44.7Very low79 Ų7994.8 Ų94.849%0.48546%0.463SS..  trans-58.481.8170.948.40000107.9T173T173-T175 PolarHBondContact O-N 2.97Å
176R42.4Very low43.5Very low81 Ų8193.1 Ų93.131%0.30647%0.473SS..  trans-66.6139.8144.3-68.9-172.9179.8-155.61.1105.4V96 R174 R178V96-R176 PolarHBondContact O-NH1 3.38Å; R174-R176 PolarHBondContact O-N 2.68Å; R176-R178 PolarHBondContact O-N 2.96Å
177P41.1Very low43.6Very low42 Ų4291 Ų9127%0.27347%0.473SS..  trans-67.679.1-17727.1-34000110.1N179 E329P177-N179 PolarHBondContact O-N 3.19Å; P177-E329 WeakPolarHBondContact CB-OE1 3.46Å; P177-E329 WeakPolarHBondContact CG-OE1 3.4Å
178R46.5Very low44.8Very low117 Ų11788.1 Ų88.144%0.44246%0.455SS..  trans-76.8-4-175.9-90.5-173.3167.3-169.5-9.2113.9D67 F168 R176D67-R178 IonicContact OD1-CZ 3.46Å; D67-R178 IonicContact OD1-NE 3.73Å; D67-R178 PolarHBondContact OD1-NE 2.82Å; D67-R178 IonicContact OD1-NH2 2.84Å; D67-R178 IonicContact OD2-CZ 3.13Å; D67-R178 IonicContact OD2-NE 3.76Å; D67-R178 IonicContact OD2-NH2 3.83Å; D67-R178 PolarHBondContact OD2-NH2 2.77Å; F168-R178 VanDerWaalsContact CE1-CZ 3.4Å; R176-R178 PolarHBondContact O-N 2.96Å
179N45Very low46.5Very low69 Ų6988 Ų8837%0.36946%0.458SS..SBendtrans-162.2130.8165.8-98.1-32.9000110.7P177 T181P177-N179 PolarHBondContact O-N 3.19Å; N179-T181 PolarHBondContact O-N 3.05Å; N179-T181 VanDerWaalsContact O-N 3.07Å
180G43.6Very low49.1Very low4 Ų480.4 Ų80.44%0.04143%0.43CS..  trans-58.9105.7151.100000109.1Q29Q29-G180 PolarHBondContact NE2-O 3.17Å
181T54.2Low51.6Low23 Ų2378.7 Ų78.714%0.14142%0.423CS..  86.4132.8129.2110000120.5D26 Q29 N179 N183 H270D26-T181 WeakPolarHBondContact OD2-CB 3.42Å; D26-T181 WeakPolarHBondContact OD2-CG2 3.31Å; D26-T181 PolarHBondContact OD2-OG1 3.35Å; Q29-T181 PolarHBondContact OE1-O 3.25Å; N179-T181 PolarHBondContact O-N 3.05Å; N179-T181 VanDerWaalsContact O-N 3.07Å; T181-N183 WeakPolarHBondContact CB-ND2 3.32Å; T181-N183 WeakPolarHBondContact CB-OD1 3.48Å; T181-N183 WeakPolarHBondContact CG2-ND2 3.26Å; T181-N183 WeakPolarHBondContact CG2-OD1 3.35Å; T181-N183 PolarHBondContact O-N 3.16Å; T181-H270 WeakPolarHBondContact CG2-CE1 3.08Å; T181-H270 WeakPolarHBondContact CG2-NE2 3.48Å
182L50.4Low54.3Low6 Ų679.7 Ų79.73%0.03141%0.406CS..  trans-95.557.5-177.2-89.7164.5000110.3W212 Q213 N215 I217 L254L182-W212 HydrophobicContact CB-CE3 4Å; L182-W212 HydrophobicContact CB-CH2 4.31Å; L182-W212 HydrophobicContact CB-CZ3 3.53Å; L182-W212 HydrophobicContact CD1-CD2 4.3Å; L182-W212 HydrophobicContact CD1-CE3 3.47Å; L182-W212 VanDerWaalsContact CD1-CE3 3.47Å; L182-W212 HydrophobicContact CD1-CZ3 3.94Å; L182-W212 HydrophobicContact CD2-CD2 3.9Å; L182-W212 HydrophobicContact CD2-CE3 3.46Å; L182-W212 VanDerWaalsContact CD2-CE3 3.46Å; L182-W212 HydrophobicContact CD2-CH2 3.81Å; L182-W212 HydrophobicContact CD2-CZ2 4.27Å; L182-W212 HydrophobicContact CD2-CZ3 3.44Å; L182-W212 VanDerWaalsContact CD2-CZ3 3.44Å; L182-W212 HydrophobicContact CG-CE3 3.82Å; L182-W212 HydrophobicContact CG-CZ3 3.82Å; L182-Q213 HydrophobicContact CD2-CB 3.66Å; L182-Q213 HydrophobicContact CD2-CG 3.96Å; L182-Q213 VanDerWaalsContact CD2-OE1 3.23Å; L182-N215 HydrophobicContact CD1-CB 3.74Å; L182-N215 HydrophobicContact CG-CB 4.46Å; L182-I217 HydrophobicContact CD1-CG2 3.79Å; L182-L254 HydrophobicContact CB-CD1 3.91Å; L182-L254 HydrophobicContact CB-CD2 3.8Å; L182-L254 HydrophobicContact CB-CG 4.32Å; L182-L254 HydrophobicContact CD1-CD1 3.9Å
183N56.1Low57Low16 Ų1675.8 Ų75.89%0.08638%0.382CS..  trans-107.3-9.8-155.7-68.61.3000117.2D26 T181 R243 F245 L254D26-N183 WeakPolarHBondContact CB-ND2 3.47Å; D26-N183 VanDerWaalsContact CG-ND2 3.31Å; D26-N183 PolarHBondContact OD2-ND2 3.12Å; T181-N183 WeakPolarHBondContact CB-ND2 3.32Å; T181-N183 WeakPolarHBondContact CB-OD1 3.48Å; T181-N183 WeakPolarHBondContact CG2-ND2 3.26Å; T181-N183 WeakPolarHBondContact CG2-OD1 3.35Å; T181-N183 PolarHBondContact O-N 3.16Å; N183-R243 PolarHBondContact O-NH2 3.11Å; N183-F245 HydrophobicContact CB-CD1 4.26Å; N183-F245 HydrophobicContact CB-CE1 4Å; N183-F245 HydrophobicContact CB-CE2 4.32Å; N183-F245 HydrophobicContact CB-CZ 4.03Å; N183-F245 WeakPolarHBondContact ND2-CD1 3.41Å; N183-F245 WeakPolarHBondContact ND2-CE1 3.39Å; N183-F245 WeakPolarHBondContact OD1-CD1 3.26Å; N183-F245 WeakPolarHBondContact OD1-CE1 3.35Å; N183-L254 VanDerWaalsContact OD1-CD2 3.23Å; N183-L254 WeakPolarHBondContact OD1-CD2 3.49Å
184K49Very low60Low171 Ų17176 Ų7674%0.74338%0.38SS*.  trans-98-8.2-170.1-70.4-174.5178.3177.10116.5S186K184-S186 PolarHBondContact O-N 3.29Å
185H50.2Low62.9Low80 Ų8068.4 Ų68.437%0.3735%0.353SS..  trans-85.8117.6-172.9-64.483.6000111.8G187 W212 Q213H185-G187 PolarHBondContact O-N 3.33Å; H185-W212 HydrophobicContact CB-CH2 4.08Å; H185-W212 HydrophobicContact CB-CZ2 4.25Å; H185-W212 AromaticContact ND1-CH2 3.9Å; H185-Q213 PolarHBondContact CE1-NE2 3.27Å; H185-Q213 PolarHBondContact NE2-NE2 2.85Å
186S52.2Low65.7Low131 Ų13168.2 Ų68.292%0.91635%0.349SS*.SBendtrans-73-13.6174.752.30000113.5K184K184-S186 PolarHBondContact O-N 3.29Å
187G64.3Low68.2Low50 Ų5068.4 Ų68.452%0.51536%0.359SS..  trans-148.5123.5173.100000110.6H185H185-G187 PolarHBondContact O-N 3.33Å
188I77.1Confident70.8Confident9 Ų970.4 Ų70.45%0.04636%0.363CS..  trans-96.5125.7170.6-61.9177.3000106.3L193 W212 C257 I268I188-L193 HydrophobicContact CG2-CD2 3.83Å; I188-L193 HydrophobicContact CG2-CG 4.27Å; I188-W212 HydrophobicContact CD1-CD2 4.34Å; I188-W212 HydrophobicContact CD1-CE3 3.87Å; I188-W212 HydrophobicContact CD1-CH2 3.53Å; I188-W212 HydrophobicContact CD1-CZ2 3.95Å; I188-W212 HydrophobicContact CD1-CZ3 3.41Å; I188-W212 VanDerWaalsContact CD1-CZ3 3.41Å; I188-W212 HydrophobicContact CG1-CH2 3.67Å; I188-W212 HydrophobicContact CG1-CZ2 3.69Å; I188-W212 HydrophobicContact CG1-CZ3 4.1Å; I188-W212 HydrophobicContact CG2-CD2 4.49Å; I188-W212 HydrophobicContact CG2-CZ2 4.4Å; I188-C257 HydrophobicContact CB-CB 4.48Å; I188-C257 WeakPolarHBondContact O-CB 3.48Å; I188-I268 HydrophobicContact CD1-CB 4.21Å; I188-I268 HydrophobicContact CD1-CD1 4Å; I188-I268 HydrophobicContact CD1-CG1 4.2Å; I188-I268 HydrophobicContact CG2-CD1 4.33Å
189D80.3Confident73Confident77 Ų7768.4 Ų68.441%0.41236%0.361SS..  trans-79.5129.8169.2-177.9-5.4000108.3K191 Q192D189-K191 PolarHBondContact O-N 3.3Å; D189-K191 VanDerWaalsContact O-N 3.11Å; D189-K191 PolarHBondContact OD1-N 2.82Å; D189-Q192 HydrophobicContact CB-CG 4.07Å; D189-Q192 WeakPolarHBondContact O-CB 3.5Å; D189-Q192 PolarHBondContact O-N 3.2Å
190F85Confident75.2Confident42 Ų4269.3 Ų69.318%0.18437%0.366CS..G310 helixtrans-52.5-33.6177-174.3-91.6000112Q192 L193 F195 S259 P260 T266F190-Q192 PolarHBondContact O-N 3.47Å; F190-L193 HydrophobicContact CD2-CD1 4.19Å; F190-L193 WeakPolarHBondContact O-CB 3.23Å; F190-L193 PolarHBondContact O-N 2.93Å; F190-L193 VanDerWaalsContact O-N 3.09Å; F190-F195 HydrophobicContact CE1-CE2 4.15Å; F190-F195 AromaticContact CE2-CE2 3.83Å; F190-F195 HydrophobicContact CE2-CE2 3.83Å; F190-F195 AromaticContact CE2-CZ 3.55Å; F190-F195 HydrophobicContact CE2-CZ 3.55Å; F190-F195 AromaticContact CZ-CE2 3.54Å; F190-F195 HydrophobicContact CZ-CE2 3.54Å; F190-F195 AromaticContact CZ-CZ 3.52Å; F190-F195 HydrophobicContact CZ-CZ 3.52Å; F190-S259 WeakPolarHBondContact CE2-OG 3.42Å; F190-S259 WeakPolarHBondContact CZ-OG 3.49Å; F190-P260 HydrophobicContact CD1-CG 4.33Å; F190-T266 HydrophobicContact CE2-CG2 4.4Å
191K86.6Confident77.5Confident179 Ų17973.6 Ų73.678%0.77839%0.385SS*.G310 helixtrans-65-20.2177.7-65.4178.6-179.5175.90114.1D189 L193D189-K191 PolarHBondContact O-N 3.3Å; D189-K191 VanDerWaalsContact O-N 3.11Å; D189-K191 PolarHBondContact OD1-N 2.82Å; K191-L193 VanDerWaalsContact C-N 3.27Å
192Q86.9Confident79.1Confident100 Ų10075.8 Ų75.847%0.46740%0.395SS..G310 helixtrans-80.6-11.5176.9-61.8174.98.100112.4D189 F190D189-Q192 HydrophobicContact CB-CG 4.07Å; D189-Q192 WeakPolarHBondContact O-CB 3.5Å; D189-Q192 PolarHBondContact O-N 3.2Å; F190-Q192 PolarHBondContact O-N 3.47Å
193L90Very high80.7Confident14 Ų1481 Ų817%0.07342%0.419CS..  trans-85.9121.6-179.6-55.4-179.9000109.8I188 F190 K191 F195 W212 I217 V219 T266 I268I188-L193 HydrophobicContact CG2-CD2 3.83Å; I188-L193 HydrophobicContact CG2-CG 4.27Å; F190-L193 HydrophobicContact CD2-CD1 4.19Å; F190-L193 WeakPolarHBondContact O-CB 3.23Å; F190-L193 PolarHBondContact O-N 2.93Å; F190-L193 VanDerWaalsContact O-N 3.09Å; K191-L193 VanDerWaalsContact C-N 3.27Å; L193-F195 HydrophobicContact CB-CD2 4.26Å; L193-F195 HydrophobicContact CB-CE2 3.79Å; L193-F195 HydrophobicContact CD1-CE2 4.41Å; L193-W212 HydrophobicContact CD2-CB 3.85Å; L193-W212 HydrophobicContact CD2-CG 3.83Å; L193-I217 HydrophobicContact CD2-CD1 3.81Å; L193-V219 HydrophobicContact CD1-CG1 4.18Å; L193-V219 HydrophobicContact CD1-CG2 4.36Å; L193-T266 HydrophobicContact CD1-CG2 4.49Å; L193-I268 HydrophobicContact CD1-CD1 4.14Å; L193-I268 HydrophobicContact CD1-CG1 4.02Å; L193-I268 HydrophobicContact CD2-CG1 4.03Å
194N92.8Very high82.1Confident93 Ų9382.1 Ų82.150%0.49743%0.428SS..EExtended strand (participates in β ladder)trans-95.4111.9171.7-175.75.1000109.5G210 R211N194-G210 CarbonylContact O-C 3.31Å; N194-G210 VanDerWaalsContact O-C 3.31Å; N194-G210 WeakPolarHBondContact O-CA 3.49Å; N194-R211 HydrophobicContact CB-CB 4.27Å; N194-R211 PolarHBondContact N-O 3.49Å; N194-R211 PolarHBondContact O-N 3.01Å
195F92.4Very high84Confident54 Ų5474.3 Ų74.324%0.23740%0.396CS..EExtended strand (participates in β ladder)trans-83.7124.7179.3-73.1-109.4000110F190 L193 W208 V219 V221F190-F195 HydrophobicContact CE1-CE2 4.15Å; F190-F195 AromaticContact CE2-CE2 3.83Å; F190-F195 HydrophobicContact CE2-CE2 3.83Å; F190-F195 AromaticContact CE2-CZ 3.55Å; F190-F195 HydrophobicContact CE2-CZ 3.55Å; F190-F195 AromaticContact CZ-CE2 3.54Å; F190-F195 HydrophobicContact CZ-CE2 3.54Å; F190-F195 AromaticContact CZ-CZ 3.52Å; F190-F195 HydrophobicContact CZ-CZ 3.52Å; L193-F195 HydrophobicContact CB-CD2 4.26Å; L193-F195 HydrophobicContact CB-CE2 3.79Å; L193-F195 HydrophobicContact CD1-CE2 4.41Å; F195-W208 HydrophobicContact CB-CE3 4.13Å; F195-W208 HydrophobicContact CB-CZ3 4.45Å; F195-W208 HydrophobicContact CD1-CB 3.62Å; F195-W208 AromaticContact CD1-CD2 3.55Å; F195-W208 HydrophobicContact CD1-CD2 3.55Å; F195-W208 AromaticContact CD1-CE3 3.83Å; F195-W208 HydrophobicContact CD1-CE3 3.83Å; F195-W208 AromaticContact CD1-CG 3.49Å; F195-W208 HydrophobicContact CD1-CG 3.49Å; F195-W208 VanDerWaalsContact CD1-CG 3.49Å; F195-W208 HydrophobicContact CE1-CB 3.95Å; F195-W208 AromaticContact CE1-CD1 3.9Å; F195-W208 HydrophobicContact CE1-CD2 4.18Å; F195-W208 AromaticContact CE1-CG 3.77Å; F195-W208 HydrophobicContact CE1-CG 3.77Å; F195-W208 HydrophobicContact CG-CE3 4.49Å; F195-V219 HydrophobicContact CE1-CB 3.93Å; F195-V219 HydrophobicContact CE1-CG1 3.67Å; F195-V219 HydrophobicContact CE1-CG2 4.43Å; F195-V219 HydrophobicContact CZ-CB 4.17Å; F195-V219 HydrophobicContact CZ-CG1 3.54Å; F195-V219 HydrophobicContact CZ-CG2 4.43Å; F195-V221 HydrophobicContact CE1-CG2 4.24Å; F195-V221 HydrophobicContact CZ-CG2 4.43Å
196L93.8Very high86.1Confident75 Ų7572.3 Ų72.339%0.39339%0.387SS..EExtended strand (participates in β ladder)trans-101.9-57.2-176.7-61.5-179.4000112.2K209 R211L196-K209 WeakPolarHBondContact CA-O 3.37Å; L196-K209 WeakPolarHBondContact CB-O 3.22Å; L196-K209 PolarHBondContact N-O 2.86Å; L196-R211 HydrophobicContact CD1-CG 3.9Å
197T95Very high88.1Confident85 Ų8568.7 Ų68.752%0.52136%0.357SS..EExtended strand (participates in β ladder)trans-144.4131.4-173-520000110.3L199 W208 K209T197-L199 PolarHBondContact O-N 3.22Å; T197-W208 CarbonylContact O-C 3.6Å; T197-W208 WeakPolarHBondContact O-CA 3.26Å; T197-K209 PolarHBondContact N-O 3.04Å; T197-K209 VanDerWaalsContact N-O 3.1Å; T197-K209 PolarHBondContact O-N 2.85Å
198K95.2Very high89.6Confident84 Ų8469 Ų6937%0.36534%0.343SS..EExtended strand (participates in β ladder)trans-73.8122.1172-173.9177.8-77.2-1690108.8E201 E206 W208K198-E201 HydrophobicContact CD-CB 4.21Å; K198-E201 IonicContact NZ-OE2 2.87Å; K198-E201 PolarHBondContact NZ-OE2 3.13Å; K198-E206 WeakPolarHBondContact CE-OE2 3.35Å; K198-E206 IonicContact NZ-OE2 3.61Å; K198-E206 PolarHBondContact NZ-OE2 3.15Å; K198-W208 HydrophobicContact CB-CD2 3.94Å; K198-W208 HydrophobicContact CB-CE3 3.77Å; K198-W208 HydrophobicContact CB-CH2 4.06Å; K198-W208 HydrophobicContact CB-CZ2 4.23Å; K198-W208 HydrophobicContact CB-CZ3 3.82Å; K198-W208 HydrophobicContact CD-CZ2 4.24Å; K198-W208 VanDerWaalsContact CE-CE2 3.47Å; K198-W208 HydrophobicContact CG-CD2 4.24Å; K198-W208 HydrophobicContact CG-CZ2 4.32Å
199L92.6Very high90.5Very high74 Ų7470.7 Ų70.739%0.38735%0.35SS..EExtended strand (participates in β ladder)trans-91.2-39.8-178.1-60.7170000111.6T197 L207 K209 W271T197-L199 PolarHBondContact O-N 3.22Å; L199-L207 HydrophobicContact CB-CB 4.4Å; L199-L207 HydrophobicContact CB-CD2 4.29Å; L199-L207 HydrophobicContact CB-CG 4.38Å; L199-L207 WeakPolarHBondContact CB-O 3.45Å; L199-L207 HydrophobicContact CD1-CD2 4.23Å; L199-L207 HydrophobicContact CD1-CG 4.21Å; L199-L207 PolarHBondContact N-O 3.11Å; L199-K209 HydrophobicContact CD1-CB 4.12Å; L199-K209 HydrophobicContact CD2-CB 4.12Å; L199-K209 HydrophobicContact CG-CB 4.17Å; L199-W271 HydrophobicContact CD1-CZ3 3.7Å; L199-W271 HydrophobicContact CD2-CH2 4.26Å; L199-W271 HydrophobicContact CD2-CZ3 4.12Å
200N91.4Very high91.2Very high88 Ų8867 Ų6747%0.47133%0.33SS..EExtended strand (participates in β ladder)trans-157.2152.9-178.3-162.9-22.6000110.2E206 L207N200-E206 WeakPolarHBondContact O-CA 3.45Å; N200-L207 HydrophobicContact CB-CB 4.1Å; N200-L207 PolarHBondContact N-O 2.86Å; N200-L207 PolarHBondContact O-N 2.98Å
201E92.3Very high91.6Very high94 Ų9468.8 Ų68.844%0.43934%0.336SS..EExtended strand (participates in β ladder)trans-144.1131.3170.2173.7166.6-170.200109.9K198 E206 K223K198-E201 HydrophobicContact CD-CB 4.21Å; K198-E201 IonicContact NZ-OE2 2.87Å; K198-E201 PolarHBondContact NZ-OE2 3.13Å; E201-E206 HydrophobicContact CB-CG 4.21Å; E201-E206 HydrophobicContact CG-CG 3.89Å; E201-K223 IonicContact OE1-NZ 3.3Å; E201-K223 PolarHBondContact OE1-NZ 3Å
202N86.7Confident91.6Very high69 Ų6960.4 Ų60.437%0.36930%0.299SS..EExtended strand (participates in β ladder)trans-146.4-174.9175.763.736000110.8S204 G205N202-S204 PolarHBondContact O-N 2.77Å; N202-S204 VanDerWaalsContact O-N 3.12Å; N202-S204 WeakPolarHBondContact OD1-CA 3.45Å; N202-S204 WeakPolarHBondContact OD1-CB 3.47Å; N202-S204 PolarHBondContact OD1-N 2.87Å; N202-S204 PolarHBondContact OD1-OG 3.13Å; N202-G205 PolarHBondContact N-O 2.9Å; N202-G205 PolarHBondContact O-N 2.91Å; N202-G205 VanDerWaalsContact O-O 3.1Å; N202-G205 PolarHBondContact OD1-N 2.78Å
203H84.6Confident91.4Very high116 Ų11660.5 Ų60.554%0.53730%0.3SS..THydrogen-bonded Turntrans-63.3-17.7-179.663.7-83.6000114.2Y351H203-Y351 AromaticContact CE1-CE1 3.65Å; H203-Y351 AromaticContact CE1-CZ 3.91Å; H203-Y351 AromaticContact NE2-CE1 3.47Å; H203-Y351 WeakPolarHBondContact NE2-CE1 3.25Å; H203-Y351 AromaticContact NE2-CZ 3.24Å; H203-Y351 PolarHBondContact NE2-OH 3.19Å
204S84.8Confident90.8Very high39 Ų3962.8 Ų62.827%0.27333%0.327SS..THydrogen-bonded Turntrans-93.3-16-179.674.20000113.5N202 K223N202-S204 PolarHBondContact O-N 2.77Å; N202-S204 VanDerWaalsContact O-N 3.12Å; N202-S204 WeakPolarHBondContact OD1-CA 3.45Å; N202-S204 WeakPolarHBondContact OD1-CB 3.47Å; N202-S204 PolarHBondContact OD1-N 2.87Å; N202-S204 PolarHBondContact OD1-OG 3.13Å; S204-K223 PolarHBondContact O-N 2.89Å
205G90Very high90.3Very high7 Ų761 Ų617%0.07232%0.317CS..EExtended strand (participates in β ladder)trans157.7-169.8-176.600000114.6N202 V221N202-G205 PolarHBondContact N-O 2.9Å; N202-G205 PolarHBondContact O-N 2.91Å; N202-G205 VanDerWaalsContact O-O 3.1Å; N202-G205 PolarHBondContact OD1-N 2.78Å; G205-V221 CarbonylContact C-O 3.57Å; G205-V221 WeakPolarHBondContact CA-O 3.49Å
206E93.9Very high90.2Very high38 Ų3859.4 Ų59.418%0.17831%0.311CS..EExtended strand (participates in β ladder)trans-123.4142.7176-61.2175.3-159.500109.4K198 N200 E201 W208 K220 V221 K223K198-E206 WeakPolarHBondContact CE-OE2 3.35Å; K198-E206 IonicContact NZ-OE2 3.61Å; K198-E206 PolarHBondContact NZ-OE2 3.15Å; N200-E206 WeakPolarHBondContact O-CA 3.45Å; E201-E206 HydrophobicContact CB-CG 4.21Å; E201-E206 HydrophobicContact CG-CG 3.89Å; E206-W208 PolarHBondContact OE2-NE1 3.26Å; E206-K220 CarbonylContact O-C 3.58Å; E206-K220 WeakPolarHBondContact O-CA 3.47Å; E206-V221 HydrophobicContact CB-CB 4.43Å; E206-V221 PolarHBondContact N-O 3.28Å; E206-V221 PolarHBondContact O-N 3.31Å; E206-K223 VanDerWaalsContact OE1-CE 3.23Å; E206-K223 WeakPolarHBondContact OE1-CE 3.37Å; E206-K223 IonicContact OE1-NZ 3.53Å; E206-K223 PolarHBondContact OE1-NZ 3.27Å
207L94.8Very high90.2Very high55 Ų5555.9 Ų55.929%0.28829%0.293SS..EExtended strand (participates in β ladder)trans-117.6128.4175.6-164.771.6000108.4L199 N200 V218 K220L199-L207 HydrophobicContact CB-CB 4.4Å; L199-L207 HydrophobicContact CB-CD2 4.29Å; L199-L207 HydrophobicContact CB-CG 4.38Å; L199-L207 WeakPolarHBondContact CB-O 3.45Å; L199-L207 HydrophobicContact CD1-CD2 4.23Å; L199-L207 HydrophobicContact CD1-CG 4.21Å; L199-L207 PolarHBondContact N-O 3.11Å; N200-L207 HydrophobicContact CB-CB 4.1Å; N200-L207 PolarHBondContact N-O 2.86Å; N200-L207 PolarHBondContact O-N 2.98Å; L207-V218 HydrophobicContact CD1-CG1 3.34Å; L207-V218 HydrophobicContact CD2-CG1 4.43Å; L207-V218 HydrophobicContact CG-CG1 3.86Å; L207-K220 HydrophobicContact CD1-CB 3.73Å; L207-K220 HydrophobicContact CD1-CD 4.34Å; L207-K220 HydrophobicContact CD1-CG 3.94Å
208W96Very high90.2Very high57 Ų5752.5 Ų52.522%0.21627%0.272CS..EExtended strand (participates in β ladder)trans-129.1141.9-176-66.881.4000110.6F195 T197 K198 E206 V218 V219F195-W208 HydrophobicContact CB-CE3 4.13Å; F195-W208 HydrophobicContact CB-CZ3 4.45Å; F195-W208 HydrophobicContact CD1-CB 3.62Å; F195-W208 AromaticContact CD1-CD2 3.55Å; F195-W208 HydrophobicContact CD1-CD2 3.55Å; F195-W208 AromaticContact CD1-CE3 3.83Å; F195-W208 HydrophobicContact CD1-CE3 3.83Å; F195-W208 AromaticContact CD1-CG 3.49Å; F195-W208 HydrophobicContact CD1-CG 3.49Å; F195-W208 VanDerWaalsContact CD1-CG 3.49Å; F195-W208 HydrophobicContact CE1-CB 3.95Å; F195-W208 AromaticContact CE1-CD1 3.9Å; F195-W208 HydrophobicContact CE1-CD2 4.18Å; F195-W208 AromaticContact CE1-CG 3.77Å; F195-W208 HydrophobicContact CE1-CG 3.77Å; F195-W208 HydrophobicContact CG-CE3 4.49Å; T197-W208 CarbonylContact O-C 3.6Å; T197-W208 WeakPolarHBondContact O-CA 3.26Å; K198-W208 HydrophobicContact CB-CD2 3.94Å; K198-W208 HydrophobicContact CB-CE3 3.77Å; K198-W208 HydrophobicContact CB-CH2 4.06Å; K198-W208 HydrophobicContact CB-CZ2 4.23Å; K198-W208 HydrophobicContact CB-CZ3 3.82Å; K198-W208 HydrophobicContact CD-CZ2 4.24Å; K198-W208 VanDerWaalsContact CE-CE2 3.47Å; K198-W208 HydrophobicContact CG-CD2 4.24Å; K198-W208 HydrophobicContact CG-CZ2 4.32Å; E206-W208 PolarHBondContact OE2-NE1 3.26Å; W208-V218 CarbonylContact O-C 3.56Å; W208-V218 WeakPolarHBondContact O-CA 3.45Å; W208-V219 HydrophobicContact CB-CB 4.29Å; W208-V219 PolarHBondContact N-O 3.47Å; W208-V219 PolarHBondContact O-N 2.71Å
209K95.9Very high90.2Very high44 Ų4448.5 Ų48.519%0.19125%0.254CS..EExtended strand (participates in β ladder)trans-79.8132.5157.4-175.9174.1-179176.20107.8L196 T197 L199 D216 W271L196-K209 WeakPolarHBondContact CA-O 3.37Å; L196-K209 WeakPolarHBondContact CB-O 3.22Å; L196-K209 PolarHBondContact N-O 2.86Å; T197-K209 PolarHBondContact N-O 3.04Å; T197-K209 VanDerWaalsContact N-O 3.1Å; T197-K209 PolarHBondContact O-N 2.85Å; L199-K209 HydrophobicContact CD1-CB 4.12Å; L199-K209 HydrophobicContact CD2-CB 4.12Å; L199-K209 HydrophobicContact CG-CB 4.17Å; K209-D216 WeakPolarHBondContact CE-OD2 3.42Å; K209-D216 IonicContact NZ-OD2 2.71Å; K209-D216 PolarHBondContact NZ-OD2 2.88Å; K209-W271 HydrophobicContact CB-CE3 4.33Å; K209-W271 HydrophobicContact CB-CZ3 4.21Å; K209-W271 HydrophobicContact CD-CD2 4.06Å; K209-W271 HydrophobicContact CD-CE3 3.99Å; K209-W271 HydrophobicContact CD-CH2 4.15Å; K209-W271 HydrophobicContact CD-CZ2 4.19Å; K209-W271 HydrophobicContact CD-CZ3 4.06Å; K209-W271 HydrophobicContact CG-CD2 4.33Å; K209-W271 HydrophobicContact CG-CE3 3.93Å; K209-W271 HydrophobicContact CG-CZ3 4.18Å
210G93.9Very high90.2Very high0 Ų046.9 Ų46.90%024%0.244CC..EExtended strand (participates in β ladder)trans-142.7-173.1177.900000112.6N194 D216 I217N194-G210 CarbonylContact O-C 3.31Å; N194-G210 VanDerWaalsContact O-C 3.31Å; N194-G210 WeakPolarHBondContact O-CA 3.49Å; G210-D216 WeakPolarHBondContact O-CA 3.48Å; G210-I217 VanDerWaalsContact C-CG1 3.5Å; G210-I217 PolarHBondContact N-O 2.99Å; G210-I217 WeakPolarHBondContact O-CG1 3.28Å; G210-I217 PolarHBondContact O-N 3.5Å
211R93.4Very high90.3Very high79 Ų7943.3 Ų43.330%0.29823%0.225SC..EExtended strand (participates in β ladder)trans-130.8141170.8-81.7178.6178.7-166.10.5111T173 N194 L196 N215 D216T173-R211 PolarHBondContact OG1-NH2 2.72Å; N194-R211 HydrophobicContact CB-CB 4.27Å; N194-R211 PolarHBondContact N-O 3.49Å; N194-R211 PolarHBondContact O-N 3.01Å; L196-R211 HydrophobicContact CD1-CG 3.9Å; R211-N215 VanDerWaalsContact CA-O 3.23Å; R211-N215 WeakPolarHBondContact CA-O 3.46Å; R211-D216 WeakPolarHBondContact CG-OD1 3.49Å; R211-D216 IonicContact CZ-OD1 3.52Å; R211-D216 IonicContact NE-OD1 2.87Å; R211-D216 PolarHBondContact NE-OD1 3.49Å; R211-D216 IonicContact NH2-OD1 2.92Å; R211-D216 PolarHBondContact NH2-OD1 3.43Å
212W87.9Confident90.3Very high3 Ų339 Ų391%0.01121%0.206CC..EExtended strand (participates in β ladder)trans-143.9130.2170.9179.555.4000109.6L182 H185 I188 L193 G214 N215 I217 I268L182-W212 HydrophobicContact CB-CE3 4Å; L182-W212 HydrophobicContact CB-CH2 4.31Å; L182-W212 HydrophobicContact CB-CZ3 3.53Å; L182-W212 HydrophobicContact CD1-CD2 4.3Å; L182-W212 HydrophobicContact CD1-CE3 3.47Å; L182-W212 VanDerWaalsContact CD1-CE3 3.47Å; L182-W212 HydrophobicContact CD1-CZ3 3.94Å; L182-W212 HydrophobicContact CD2-CD2 3.9Å; L182-W212 HydrophobicContact CD2-CE3 3.46Å; L182-W212 VanDerWaalsContact CD2-CE3 3.46Å; L182-W212 HydrophobicContact CD2-CH2 3.81Å; L182-W212 HydrophobicContact CD2-CZ2 4.27Å; L182-W212 HydrophobicContact CD2-CZ3 3.44Å; L182-W212 VanDerWaalsContact CD2-CZ3 3.44Å; L182-W212 HydrophobicContact CG-CE3 3.82Å; L182-W212 HydrophobicContact CG-CZ3 3.82Å; H185-W212 HydrophobicContact CB-CH2 4.08Å; H185-W212 HydrophobicContact CB-CZ2 4.25Å; H185-W212 AromaticContact ND1-CH2 3.9Å; I188-W212 HydrophobicContact CD1-CD2 4.34Å; I188-W212 HydrophobicContact CD1-CE3 3.87Å; I188-W212 HydrophobicContact CD1-CH2 3.53Å; I188-W212 HydrophobicContact CD1-CZ2 3.95Å; I188-W212 HydrophobicContact CD1-CZ3 3.41Å; I188-W212 VanDerWaalsContact CD1-CZ3 3.41Å; I188-W212 HydrophobicContact CG1-CH2 3.67Å; I188-W212 HydrophobicContact CG1-CZ2 3.69Å; I188-W212 HydrophobicContact CG1-CZ3 4.1Å; I188-W212 HydrophobicContact CG2-CD2 4.49Å; I188-W212 HydrophobicContact CG2-CZ2 4.4Å; L193-W212 HydrophobicContact CD2-CB 3.85Å; L193-W212 HydrophobicContact CD2-CG 3.83Å; W212-G214 PolarHBondContact O-N 3.41Å; W212-G214 VanDerWaalsContact O-N 3.14Å; W212-N215 PolarHBondContact N-O 3.06Å; W212-N215 PolarHBondContact O-N 3.31Å; W212-I217 HydrophobicContact CB-CD1 3.5Å; W212-I217 VanDerWaalsContact CB-CD1 3.5Å; W212-I217 HydrophobicContact CB-CG1 4.25Å; W212-I217 HydrophobicContact CB-CG2 4.42Å; W212-I268 HydrophobicContact CE3-CG2 4.37Å
213Q81.5Confident90.5Very high103 Ų10339.3 Ų39.348%0.48120%0.204SC..THydrogen-bonded Turntrans4741.2-174.4-55-175.1-9.400113.7L182 H185 N215L182-Q213 HydrophobicContact CD2-CB 3.66Å; L182-Q213 HydrophobicContact CD2-CG 3.96Å; L182-Q213 VanDerWaalsContact CD2-OE1 3.23Å; H185-Q213 PolarHBondContact CE1-NE2 3.27Å; H185-Q213 PolarHBondContact NE2-NE2 2.85Å; Q213-N215 VanDerWaalsContact C-N 3.28Å; Q213-N215 PolarHBondContact O-N 3.22Å; Q213-N215 PolarHBondContact O-ND2 2.85Å
214G78.5Confident90.6Very high62 Ų6234.6 Ų34.664%0.63918%0.183SC*.THydrogen-bonded Turntrans81.4-7.5178.900000115.8W212W212-G214 PolarHBondContact O-N 3.41Å; W212-G214 VanDerWaalsContact O-N 3.14Å
215N81.2Confident90.6Very high54 Ų5443 Ų4329%0.28921%0.209SC..EExtended strand (participates in β ladder)trans-97.7142.2179.5-59.3-68.7000111.5L182 R211 W212 Q213L182-N215 HydrophobicContact CD1-CB 3.74Å; L182-N215 HydrophobicContact CG-CB 4.46Å; R211-N215 VanDerWaalsContact CA-O 3.23Å; R211-N215 WeakPolarHBondContact CA-O 3.46Å; W212-N215 PolarHBondContact N-O 3.06Å; W212-N215 PolarHBondContact O-N 3.31Å; Q213-N215 VanDerWaalsContact C-N 3.28Å; Q213-N215 PolarHBondContact O-N 3.22Å; Q213-N215 PolarHBondContact O-ND2 2.85Å
216D91.2Very high90.4Very high21 Ų2149.2 Ų49.211%0.11224%0.24CC..EExtended strand (participates in β ladder)trans-70.1130.7170.6-80.85.2000109.4K209 G210 R211 W271K209-D216 WeakPolarHBondContact CE-OD2 3.42Å; K209-D216 IonicContact NZ-OD2 2.71Å; K209-D216 PolarHBondContact NZ-OD2 2.88Å; G210-D216 WeakPolarHBondContact O-CA 3.48Å; R211-D216 WeakPolarHBondContact CG-OD1 3.49Å; R211-D216 IonicContact CZ-OD1 3.52Å; R211-D216 IonicContact NE-OD1 2.87Å; R211-D216 PolarHBondContact NE-OD1 3.49Å; R211-D216 IonicContact NH2-OD1 2.92Å; R211-D216 PolarHBondContact NH2-OD1 3.43Å; D216-W271 HydrophobicContact CB-CB 3.72Å; D216-W271 HydrophobicContact CB-CG 4.04Å; D216-W271 WeakPolarHBondContact O-CB 3.46Å; D216-W271 PolarHBondContact O-N 2.87Å
217I93.2Very high90.1Very high1 Ų150 Ų501%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-132.9163.3-176.655.4161.7000111L182 L193 G210 W212 V219 L254 I268 T269L182-I217 HydrophobicContact CD1-CG2 3.79Å; L193-I217 HydrophobicContact CD2-CD1 3.81Å; G210-I217 VanDerWaalsContact C-CG1 3.5Å; G210-I217 PolarHBondContact N-O 2.99Å; G210-I217 WeakPolarHBondContact O-CG1 3.28Å; G210-I217 PolarHBondContact O-N 3.5Å; W212-I217 HydrophobicContact CB-CD1 3.5Å; W212-I217 VanDerWaalsContact CB-CD1 3.5Å; W212-I217 HydrophobicContact CB-CG1 4.25Å; W212-I217 HydrophobicContact CB-CG2 4.42Å; I217-V219 HydrophobicContact CD1-CG2 3.63Å; I217-V219 HydrophobicContact CG1-CG2 4.22Å; I217-L254 HydrophobicContact CG2-CD1 4.03Å; I217-I268 HydrophobicContact CB-CG2 4.07Å; I217-I268 HydrophobicContact CD1-CG2 3.63Å; I217-I268 HydrophobicContact CG1-CG2 4.46Å; I217-I268 HydrophobicContact CG2-CG2 4.12Å; I217-T269 CarbonylContact C-O 3.43Å; I217-T269 WeakPolarHBondContact CA-O 3.46Å; I217-T269 WeakPolarHBondContact CB-O 3.19Å
218V94.9Very high89.7Confident14 Ų1449.7 Ų49.79%0.08524%0.244CC..EExtended strand (participates in β ladder)trans-103.9130163.7174.40000108.6L207 W208 I268 T269 W271L207-V218 HydrophobicContact CD1-CG1 3.34Å; L207-V218 HydrophobicContact CD2-CG1 4.43Å; L207-V218 HydrophobicContact CG-CG1 3.86Å; W208-V218 CarbonylContact O-C 3.56Å; W208-V218 WeakPolarHBondContact O-CA 3.45Å; V218-I268 WeakPolarHBondContact O-CA 3.42Å; V218-T269 HydrophobicContact CB-CG2 3.85Å; V218-T269 HydrophobicContact CG1-CG2 4.32Å; V218-T269 PolarHBondContact N-O 3.23Å; V218-T269 PolarHBondContact O-N 3.1Å; V218-W271 HydrophobicContact CG2-CE3 3.68Å; V218-W271 HydrophobicContact CG2-CZ3 4.25Å
219V94.9Very high89.3Confident0 Ų052.5 Ų52.50%027%0.268CS..EExtended strand (participates in β ladder)trans-110.9115.1175.2-172.80000108.6L193 F195 W208 I217 V221 T266 L267L193-V219 HydrophobicContact CD1-CG1 4.18Å; L193-V219 HydrophobicContact CD1-CG2 4.36Å; F195-V219 HydrophobicContact CE1-CB 3.93Å; F195-V219 HydrophobicContact CE1-CG1 3.67Å; F195-V219 HydrophobicContact CE1-CG2 4.43Å; F195-V219 HydrophobicContact CZ-CB 4.17Å; F195-V219 HydrophobicContact CZ-CG1 3.54Å; F195-V219 HydrophobicContact CZ-CG2 4.43Å; W208-V219 HydrophobicContact CB-CB 4.29Å; W208-V219 PolarHBondContact N-O 3.47Å; W208-V219 PolarHBondContact O-N 2.71Å; I217-V219 HydrophobicContact CD1-CG2 3.63Å; I217-V219 HydrophobicContact CG1-CG2 4.22Å; V219-V221 HydrophobicContact CG1-CG2 4.16Å; V219-T266 HydrophobicContact CG1-CG2 3.25Å; V219-L267 WeakPolarHBondContact CA-O 3.46Å
220K94.3Very high89Confident41 Ų4159.4 Ų59.418%0.17829%0.293CS..EExtended strand (participates in β ladder)trans-105.9101.9178.9-173.6175.3-176.2177.30109.1E206 L207 L222 T266 L267 A338 D339E206-K220 CarbonylContact O-C 3.58Å; E206-K220 WeakPolarHBondContact O-CA 3.47Å; L207-K220 HydrophobicContact CD1-CB 3.73Å; L207-K220 HydrophobicContact CD1-CD 4.34Å; L207-K220 HydrophobicContact CD1-CG 3.94Å; K220-L222 HydrophobicContact CD-CD2 4.29Å; K220-L222 HydrophobicContact CG-CD2 4Å; K220-T266 CarbonylContact O-C 3.56Å; K220-T266 WeakPolarHBondContact O-CA 3.37Å; K220-L267 HydrophobicContact CB-CB 4.31Å; K220-L267 PolarHBondContact N-O 3.47Å; K220-L267 PolarHBondContact O-N 3.43Å; K220-A338 PolarHBondContact NZ-O 2.71Å; K220-D339 IonicContact NZ-OD1 2.89Å; K220-D339 PolarHBondContact NZ-OD1 3.14Å
221V93.5Very high88.8Confident12 Ų1261.4 Ų61.47%0.07330%0.301CS..EExtended strand (participates in β ladder)trans-90116.2178.5-175.80000108.5F195 G205 E206 V219 H264 T266F195-V221 HydrophobicContact CE1-CG2 4.24Å; F195-V221 HydrophobicContact CZ-CG2 4.43Å; G205-V221 CarbonylContact C-O 3.57Å; G205-V221 WeakPolarHBondContact CA-O 3.49Å; E206-V221 HydrophobicContact CB-CB 4.43Å; E206-V221 PolarHBondContact N-O 3.28Å; E206-V221 PolarHBondContact O-N 3.31Å; V219-V221 HydrophobicContact CG1-CG2 4.16Å; V221-H264 HydrophobicContact CG1-CB 3.97Å; V221-T266 HydrophobicContact CG2-CG2 4.03Å
222L92.3Very high88.5Confident4 Ų458.7 Ų58.72%0.02130%0.295CS..EExtended strand (participates in β ladder)trans-91.7125.3-173.4-56.7165.6000110.9K220 V224 H264 P265 L267 F342 Q345K220-L222 HydrophobicContact CD-CD2 4.29Å; K220-L222 HydrophobicContact CG-CD2 4Å; L222-V224 HydrophobicContact CB-CG2 4.24Å; L222-V224 PolarHBondContact O-N 2.9Å; L222-H264 WeakPolarHBondContact O-CB 3.23Å; L222-H264 PolarHBondContact O-ND1 3.36Å; L222-P265 HydrophobicContact CB-CG 3.99Å; L222-P265 VanDerWaalsContact CB-O 3.29Å; L222-P265 WeakPolarHBondContact CB-O 3.46Å; L222-P265 HydrophobicContact CD1-CB 4.16Å; L222-P265 HydrophobicContact CD1-CG 3.97Å; L222-P265 WeakPolarHBondContact CG-O 3.38Å; L222-P265 PolarHBondContact N-O 3.3Å; L222-L267 HydrophobicContact CD1-CD1 4.46Å; L222-L267 HydrophobicContact CD1-CG 4.4Å; L222-F342 HydrophobicContact CD1-CD2 4.17Å; L222-F342 HydrophobicContact CD1-CE2 4.04Å; L222-Q345 VanDerWaalsContact CD2-NE2 3.3Å
223K89.9Confident88.4Confident76 Ų7666 Ų6633%0.3332%0.322SS..  trans-83.9103.1173.6-76.1174.3-178.1175.60109.1E201 S204 E206E201-K223 IonicContact OE1-NZ 3.3Å; E201-K223 PolarHBondContact OE1-NZ 3Å; S204-K223 PolarHBondContact O-N 2.89Å; E206-K223 VanDerWaalsContact OE1-CE 3.23Å; E206-K223 WeakPolarHBondContact OE1-CE 3.37Å; E206-K223 IonicContact OE1-NZ 3.53Å; E206-K223 PolarHBondContact OE1-NZ 3.27Å
224V87.5Confident88.8Confident17 Ų1762.9 Ų62.910%0.10331%0.309CS..  trans-112.1120180-174.40000109.3L222 W227 K231 P265 F344L222-V224 HydrophobicContact CB-CG2 4.24Å; L222-V224 PolarHBondContact O-N 2.9Å; V224-W227 HydrophobicContact CB-CE3 3.91Å; V224-W227 HydrophobicContact CB-CZ3 4.35Å; V224-W227 HydrophobicContact CG1-CE3 3.83Å; V224-W227 HydrophobicContact CG1-CZ3 4.26Å; V224-W227 HydrophobicContact CG2-CE3 4.26Å; V224-W227 HydrophobicContact CG2-CZ3 4.21Å; V224-K231 HydrophobicContact CG1-CD 3.93Å; V224-P265 HydrophobicContact CG2-CG 3.87Å; V224-F344 HydrophobicContact CG1-CD2 3.89Å; V224-F344 HydrophobicContact CG1-CE2 4.26Å; V224-F344 HydrophobicContact CG2-CD2 4.14Å; V224-F344 HydrophobicContact CG2-CE2 3.77Å
225R84.8Confident89.3Confident215 Ų21560 Ų6081%0.81128%0.279SS*.SBendtrans-68.4143.8172.2-65.9-174.8179.9-173.3-2.4110.1W227 K231R225-W227 PolarHBondContact O-N 2.91Å; R225-K231 PolarHBondContact O-NZ 3.03Å
226D84.7Confident89.4Confident137 Ų13762 Ų6273%0.73329%0.289SS*.SBendtrans51.156.6175.4-44.7-47.7000112.7S228 K231D226-S228 PolarHBondContact O-N 3.42Å; D226-S228 VanDerWaalsContact O-N 3.1Å; D226-K231 WeakPolarHBondContact O-CD 3.36Å; D226-K231 PolarHBondContact O-NZ 2.79Å
227W87.6Confident89.1Confident54 Ų5466.9 Ų66.921%0.20531%0.311CS..  trans-59.2115177.8-173.8-103.2000110.1V224 R225 K231 F235 P263 P265 F344V224-W227 HydrophobicContact CB-CE3 3.91Å; V224-W227 HydrophobicContact CB-CZ3 4.35Å; V224-W227 HydrophobicContact CG1-CE3 3.83Å; V224-W227 HydrophobicContact CG1-CZ3 4.26Å; V224-W227 HydrophobicContact CG2-CE3 4.26Å; V224-W227 HydrophobicContact CG2-CZ3 4.21Å; R225-W227 PolarHBondContact O-N 2.91Å; W227-K231 HydrophobicContact CE3-CB 4.01Å; W227-K231 HydrophobicContact CZ3-CB 3.95Å; W227-F235 HydrophobicContact CH2-CB 3.99Å; W227-F235 HydrophobicContact CH2-CG 4.29Å; W227-P263 VanDerWaalsContact CD1-CG 3.48Å; W227-P263 HydrophobicContact CG-CG 4.29Å; W227-P265 HydrophobicContact CE3-CG 4.23Å; W227-P265 HydrophobicContact CH2-CB 3.81Å; W227-P265 HydrophobicContact CH2-CG 3.51Å; W227-P265 HydrophobicContact CZ2-CB 4.49Å; W227-P265 HydrophobicContact CZ2-CG 4.4Å; W227-P265 HydrophobicContact CZ3-CB 4.25Å; W227-P265 HydrophobicContact CZ3-CG 3.42Å; W227-P265 VanDerWaalsContact CZ3-CG 3.42Å; W227-F344 HydrophobicContact CH2-CZ 4.3Å; W227-F344 HydrophobicContact CZ3-CE2 4.01Å; W227-F344 AromaticContact CZ3-CZ 3.93Å; W227-F344 HydrophobicContact CZ3-CZ 3.93Å
228S87.7Confident89Confident50 Ų5068.5 Ų68.535%0.3532%0.319SS..  trans-119.5160.1-174.971.30000110.8D226 R230 K231 S232D226-S228 PolarHBondContact O-N 3.42Å; D226-S228 VanDerWaalsContact O-N 3.1Å; S228-R230 PolarHBondContact O-N 3.24Å; S228-R230 VanDerWaalsContact O-N 3.14Å; S228-K231 PolarHBondContact O-N 2.89Å; S228-K231 PolarHBondContact OG-N 2.89Å; S228-S232 PolarHBondContact O-N 3.31Å
229T86.7Confident88.6Confident115 Ų11568.1 Ų68.171%0.70632%0.317SS*.Hα-helixtrans-54.4-33.3174.6-47.20000112.1R233T229-R233 PolarHBondContact O-N 2.7Å
230R89.8Confident88.1Confident190 Ų19071.3 Ų71.372%0.71734%0.338SS*.Hα-helixtrans-64.2-51.7173.9-175.4176.6179.1175.62.1111.5S228 S232 R233 D234S228-R230 PolarHBondContact O-N 3.24Å; S228-R230 VanDerWaalsContact O-N 3.14Å; R230-S232 VanDerWaalsContact C-N 3.27Å; R230-S232 PolarHBondContact O-N 2.82Å; R230-R233 WeakPolarHBondContact O-CB 3.42Å; R230-R233 PolarHBondContact O-N 3.33Å; R230-D234 PolarHBondContact O-N 3.29Å
231K90.3Very high87.8Confident42 Ų4274 Ų7418%0.18335%0.347CS..Hα-helixtrans-60.4-36.9177.4-68.2175.2179.7159.80112.2V224 R225 D226 W227 S228 F235 F344V224-K231 HydrophobicContact CG1-CD 3.93Å; R225-K231 PolarHBondContact O-NZ 3.03Å; D226-K231 WeakPolarHBondContact O-CD 3.36Å; D226-K231 PolarHBondContact O-NZ 2.79Å; W227-K231 HydrophobicContact CE3-CB 4.01Å; W227-K231 HydrophobicContact CZ3-CB 3.95Å; S228-K231 PolarHBondContact O-N 2.89Å; S228-K231 PolarHBondContact OG-N 2.89Å; K231-F235 VanDerWaalsContact O-CB 3.32Å; K231-F235 WeakPolarHBondContact O-CB 3.14Å; K231-F235 PolarHBondContact O-N 3.39Å; K231-F344 HydrophobicContact CB-CD1 4.08Å; K231-F344 HydrophobicContact CB-CG 4.23Å; K231-F344 HydrophobicContact CD-CB 4.16Å; K231-F344 HydrophobicContact CD-CG 4.42Å; K231-F344 HydrophobicContact CG-CB 3.85Å; K231-F344 HydrophobicContact CG-CD1 4.26Å; K231-F344 HydrophobicContact CG-CG 4.04Å; K231-F344 WeakPolarHBondContact O-CE1 3.31Å
232S86.1Confident87.6Confident22 Ų2273.9 Ų73.915%0.15435%0.345CS..Hα-helixtrans-65.3-38.3174.2-1730000112.6S228 R230 N236 Q258S228-S232 PolarHBondContact O-N 3.31Å; R230-S232 VanDerWaalsContact C-N 3.27Å; R230-S232 PolarHBondContact O-N 2.82Å; S232-N236 WeakPolarHBondContact O-CB 3.3Å; S232-N236 PolarHBondContact O-N 3.44Å; S232-N236 VanDerWaalsContact O-N 3.09Å; S232-N236 PolarHBondContact O-ND2 3.23Å; S232-Q258 PolarHBondContact OG-NE2 3.41Å
233R85.7Confident87.5Confident156 Ų15676 Ų7659%0.58935%0.353SS*.Hα-helixtrans-66.3-50175-172.5-174-52.8-161.50.7110.7T229 R230 F235 N236 E237T229-R233 PolarHBondContact O-N 2.7Å; R230-R233 WeakPolarHBondContact O-CB 3.42Å; R230-R233 PolarHBondContact O-N 3.33Å; R233-F235 VanDerWaalsContact C-N 3.25Å; R233-F235 PolarHBondContact O-N 2.81Å; R233-N236 PolarHBondContact O-N 3.49Å; R233-N236 VanDerWaalsContact O-N 3.07Å; R233-E237 HydrophobicContact CG-CG 4.47Å; R233-E237 VanDerWaalsContact CG-OE1 3.31Å; R233-E237 WeakPolarHBondContact CG-OE1 3.4Å; R233-E237 WeakPolarHBondContact O-CG 3.17Å; R233-E237 PolarHBondContact O-N 2.94Å
234D89.7Confident87.3Confident37 Ų3772.7 Ų72.720%0.19834%0.339CS..Hα-helixtrans-56.6-41.9177.7-58.5-18.5000110.7R230 E237 E238 F344R230-D234 PolarHBondContact O-N 3.29Å; D234-E237 PolarHBondContact O-N 3.22Å; D234-E238 VanDerWaalsContact O-CB 3.29Å; D234-E238 WeakPolarHBondContact O-CB 3.18Å; D234-E238 VanDerWaalsContact O-CG 3.27Å; D234-E238 WeakPolarHBondContact O-CG 3.27Å; D234-E238 PolarHBondContact O-N 2.84Å; D234-F344 HydrophobicContact CB-CD1 4.16Å; D234-F344 HydrophobicContact CB-CE1 4.37Å
235F88.8Confident87.1Confident3 Ų372.3 Ų72.31%0.01334%0.336CS..Hα-helixtrans-61.7-46.3175.2180-106.5000112.7W227 K231 R233 E237 E238 C239 A256 P265 L267 F342 F344W227-F235 HydrophobicContact CH2-CB 3.99Å; W227-F235 HydrophobicContact CH2-CG 4.29Å; K231-F235 VanDerWaalsContact O-CB 3.32Å; K231-F235 WeakPolarHBondContact O-CB 3.14Å; K231-F235 PolarHBondContact O-N 3.39Å; R233-F235 VanDerWaalsContact C-N 3.25Å; R233-F235 PolarHBondContact O-N 2.81Å; F235-E237 VanDerWaalsContact C-N 3.31Å; F235-E237 PolarHBondContact O-N 2.6Å; F235-E238 PolarHBondContact O-N 3.12Å; F235-C239 HydrophobicContact CE2-CB 4.48Å; F235-C239 HydrophobicContact CZ-CB 4.49Å; F235-C239 WeakPolarHBondContact O-CB 3.39Å; F235-C239 PolarHBondContact O-N 3.19Å; F235-A256 HydrophobicContact CE1-CB 3.78Å; F235-A256 HydrophobicContact CZ-CB 3.56Å; F235-P265 HydrophobicContact CD1-CB 4.09Å; F235-P265 HydrophobicContact CD2-CB 3.74Å; F235-P265 HydrophobicContact CD2-CG 4.48Å; F235-P265 HydrophobicContact CE1-CB 3.85Å; F235-P265 HydrophobicContact CE2-CB 3.47Å; F235-P265 VanDerWaalsContact CE2-CB 3.47Å; F235-P265 HydrophobicContact CE2-CG 4.49Å; F235-P265 HydrophobicContact CG-CB 4.03Å; F235-P265 HydrophobicContact CZ-CB 3.51Å; F235-L267 HydrophobicContact CE2-CD2 3.93Å; F235-L267 HydrophobicContact CZ-CD2 3.99Å; F235-F342 AromaticContact CD2-CD1 3.9Å; F235-F342 HydrophobicContact CD2-CD1 3.9Å; F235-F342 HydrophobicContact CD2-CD2 4.19Å; F235-F342 AromaticContact CD2-CE1 3.56Å; F235-F342 HydrophobicContact CD2-CE1 3.56Å; F235-F342 AromaticContact CD2-CE2 3.86Å; F235-F342 HydrophobicContact CD2-CE2 3.86Å; F235-F342 HydrophobicContact CD2-CG 4.2Å; F235-F342 AromaticContact CD2-CZ 3.56Å; F235-F342 HydrophobicContact CD2-CZ 3.56Å; F235-F342 HydrophobicContact CE2-CD2 4.35Å; F235-F342 AromaticContact CE2-CE1 3.89Å; F235-F342 HydrophobicContact CE2-CE1 3.89Å; F235-F342 AromaticContact CE2-CE2 3.64Å; F235-F342 HydrophobicContact CE2-CE2 3.64Å; F235-F342 AromaticContact CE2-CZ 3.39Å; F235-F342 HydrophobicContact CE2-CZ 3.39Å; F235-F344 HydrophobicContact CB-CE1 3.87Å; F235-F344 HydrophobicContact CB-CZ 4Å; F235-F344 HydrophobicContact CD2-CZ 4.07Å; F235-F344 HydrophobicContact CG-CZ 4.46Å
236N83.4Confident87Confident96 Ų9662.3 Ų62.351%0.51330%0.299SS..Hα-helixtrans-70.5-26.2-179.1-70.5-17.8000112.9S232 R233 P240S232-N236 WeakPolarHBondContact O-CB 3.3Å; S232-N236 PolarHBondContact O-N 3.44Å; S232-N236 VanDerWaalsContact O-N 3.09Å; S232-N236 PolarHBondContact O-ND2 3.23Å; R233-N236 PolarHBondContact O-N 3.49Å; R233-N236 VanDerWaalsContact O-N 3.07Å; N236-P240 WeakPolarHBondContact O-CD 3.26Å; N236-P240 WeakPolarHBondContact O-CG 3.25Å
237E85.5Confident87Confident123 Ų12357.3 Ų57.358%0.57527%0.271SS*.Hα-helixtrans-79.7-39.1173.7-72.1176.7-16800112.2R233 D234 F235R233-E237 HydrophobicContact CG-CG 4.47Å; R233-E237 VanDerWaalsContact CG-OE1 3.31Å; R233-E237 WeakPolarHBondContact CG-OE1 3.4Å; R233-E237 WeakPolarHBondContact O-CG 3.17Å; R233-E237 PolarHBondContact O-N 2.94Å; D234-E237 PolarHBondContact O-N 3.22Å; F235-E237 VanDerWaalsContact C-N 3.31Å; F235-E237 PolarHBondContact O-N 2.6Å
238E90.2Very high86.9Confident34 Ų3455.6 Ų55.616%0.15927%0.267CS..Hα-helixtrans-82-37.4-176.9-71.3-179.6-152.300113.2D234 F235 R241 R317 F342 S343D234-E238 VanDerWaalsContact O-CB 3.29Å; D234-E238 WeakPolarHBondContact O-CB 3.18Å; D234-E238 VanDerWaalsContact O-CG 3.27Å; D234-E238 WeakPolarHBondContact O-CG 3.27Å; D234-E238 PolarHBondContact O-N 2.84Å; F235-E238 PolarHBondContact O-N 3.12Å; E238-R241 WeakPolarHBondContact O-CB 3.28Å; E238-R241 PolarHBondContact O-N 3.04Å; E238-R317 IonicContact OE1-NH2 3.88Å; E238-R317 PolarHBondContact OE1-NH2 2.73Å; E238-R317 VanDerWaalsContact OE1-NH2 3.09Å; E238-R317 IonicContact OE2-CZ 3.57Å; E238-R317 IonicContact OE2-NH2 2.66Å; E238-R317 PolarHBondContact OE2-NH2 3.14Å; E238-F342 HydrophobicContact CB-CD1 3.67Å; E238-F342 HydrophobicContact CB-CE1 3.82Å; E238-F342 HydrophobicContact CG-CD1 4.5Å; E238-F342 VanDerWaalsContact OE2-CA 3.28Å; E238-F342 WeakPolarHBondContact OE2-CA 3.38Å; E238-F342 WeakPolarHBondContact OE2-CD1 3.3Å; E238-S343 WeakPolarHBondContact OE1-CB 3.47Å; E238-S343 PolarHBondContact OE1-N 2.9Å; E238-S343 PolarHBondContact OE1-OG 2.8Å; E238-S343 PolarHBondContact OE2-N 2.92Å; E238-S343 VanDerWaalsContact OE2-N 3.12Å
239C87.3Confident87.2Confident7 Ų753.4 Ų53.45%0.04725%0.252CS..G310 helixtrans-61.7-41.3-172.6-173.80000114.2F235 R241 L242 A256 F342F235-C239 HydrophobicContact CE2-CB 4.48Å; F235-C239 HydrophobicContact CZ-CB 4.49Å; F235-C239 WeakPolarHBondContact O-CB 3.39Å; F235-C239 PolarHBondContact O-N 3.19Å; C239-R241 PolarHBondContact O-N 2.75Å; C239-L242 WeakPolarHBondContact O-CB 3.4Å; C239-L242 PolarHBondContact O-N 2.66Å; C239-A256 WeakPolarHBondContact SG-CB 3.49Å; C239-F342 HydrophobicContact CB-CE1 4.09Å; C239-F342 HydrophobicContact CB-CZ 4.25Å
240P84.4Confident87.5Confident67 Ų6748 Ų4844%0.43522%0.218SC..G310 helixtrans-56.8-33.2177.2-27.536.8000113.1N236 L242 R243N236-P240 WeakPolarHBondContact O-CD 3.26Å; N236-P240 WeakPolarHBondContact O-CG 3.25Å; P240-L242 PolarHBondContact O-N 2.78Å; P240-L242 VanDerWaalsContact O-N 3.14Å; P240-R243 WeakPolarHBondContact O-CB 3.36Å; P240-R243 PolarHBondContact O-N 3.42Å; P240-R243 VanDerWaalsContact O-N 3.12Å
241R87.4Confident87.6Confident98 Ų9839 Ų3937%0.3718%0.184SC..G310 helixtrans-66.3-14.7178.4-59.6179.260.8-166.3-6.7113.8E238 C239 I244 P313 L314E238-R241 WeakPolarHBondContact O-CB 3.28Å; E238-R241 PolarHBondContact O-N 3.04Å; C239-R241 PolarHBondContact O-N 2.75Å; R241-I244 WeakPolarHBondContact O-CD1 3.39Å; R241-I244 WeakPolarHBondContact O-CG1 3.29Å; R241-P313 PolarHBondContact NH2-O 2.92Å; R241-L314 PolarHBondContact NH2-O 2.66Å
242L90.9Very high87.7Confident8 Ų837.2 Ų37.24%0.04218%0.177CC..G310 helixtrans-94.3-4.5179.4-55.4-179.4000112.7C239 P240 I244 V253 I315 M337 V340 F342C239-L242 WeakPolarHBondContact O-CB 3.4Å; C239-L242 PolarHBondContact O-N 2.66Å; P240-L242 PolarHBondContact O-N 2.78Å; P240-L242 VanDerWaalsContact O-N 3.14Å; L242-I244 PolarHBondContact O-N 3.38Å; L242-I244 VanDerWaalsContact O-N 3.12Å; L242-V253 HydrophobicContact CB-CB 4.14Å; L242-V253 HydrophobicContact CB-CG2 3.7Å; L242-V253 HydrophobicContact CD1-CG2 4.38Å; L242-V253 PolarHBondContact O-N 3.02Å; L242-I315 HydrophobicContact CD2-CG2 4.05Å; L242-M337 HydrophobicContact CB-CB 4.07Å; L242-M337 WeakPolarHBondContact O-CB 3.48Å; L242-V340 HydrophobicContact CD1-CB 4.33Å; L242-V340 HydrophobicContact CD2-CB 3.87Å; L242-V340 HydrophobicContact CD2-CG1 3.93Å; L242-V340 HydrophobicContact CD2-CG2 4.01Å; L242-F342 HydrophobicContact CD1-CE1 4.2Å; L242-F342 HydrophobicContact CD1-CZ 3.87Å
243R88.4Confident87.9Confident50 Ų5036.1 Ų36.119%0.18917%0.17CC..  trans-87.457.9179.6-54.7-173.969.9-139.6-2.4110.8N183 P240 F245 V253 L254N183-R243 PolarHBondContact O-NH2 3.11Å; P240-R243 WeakPolarHBondContact O-CB 3.36Å; P240-R243 PolarHBondContact O-N 3.42Å; P240-R243 VanDerWaalsContact O-N 3.12Å; R243-F245 HydrophobicContact CB-CE2 3.7Å; R243-F245 HydrophobicContact CB-CZ 4.13Å; R243-F245 WeakPolarHBondContact O-CD2 3.35Å; R243-F245 VanDerWaalsContact O-CE2 3.31Å; R243-F245 WeakPolarHBondContact O-CE2 3.42Å; R243-V253 HydrophobicContact CG-CB 4.5Å; R243-V253 WeakPolarHBondContact CG-O 3.4Å; R243-L254 PolarHBondContact NE-O 3.38Å; R243-L254 PolarHBondContact NH2-O 2.94Å
244I86.5Confident88Confident5 Ų528.8 Ų28.83%0.02614%0.142CC..  trans-95.8101.2-174.4-57.1162.3000110.3T23 R241 L242 V250 P252 F307 L308 L311 I315 M337T23-I244 HydrophobicContact CG2-CG2 4.45Å; R241-I244 WeakPolarHBondContact O-CD1 3.39Å; R241-I244 WeakPolarHBondContact O-CG1 3.29Å; L242-I244 PolarHBondContact O-N 3.38Å; L242-I244 VanDerWaalsContact O-N 3.12Å; I244-V250 HydrophobicContact CB-CG1 4.1Å; I244-V250 HydrophobicContact CG2-CG1 4.26Å; I244-P252 WeakPolarHBondContact O-CB 3.45Å; I244-F307 HydrophobicContact CG2-CE1 3.58Å; I244-F307 HydrophobicContact CG2-CZ 3.93Å; I244-L308 HydrophobicContact CD1-CD2 4.11Å; I244-L311 HydrophobicContact CD1-CD1 3.75Å; I244-I315 HydrophobicContact CD1-CD1 3.51Å; I244-M337 HydrophobicContact CD1-CG 4.47Å; I244-M337 HydrophobicContact CD1-SD 4.06Å
245F83.9Confident87.7Confident9 Ų927.2 Ų27.24%0.03913%0.134CC..  trans-100.3-14.6-175.5-56.8-80.5000113.8T23 E24 N25 D26 N183 R243 H247 P252 L254T23-F245 PolarHBondContact O-N 3.45Å; E24-F245 WeakPolarHBondContact O-CD2 3.23Å; N25-F245 CarbonylContact O-C 3.55Å; D26-F245 HydrophobicContact CB-CB 3.58Å; D26-F245 HydrophobicContact CB-CG 4.22Å; N183-F245 HydrophobicContact CB-CD1 4.26Å; N183-F245 HydrophobicContact CB-CE1 4Å; N183-F245 HydrophobicContact CB-CE2 4.32Å; N183-F245 HydrophobicContact CB-CZ 4.03Å; N183-F245 WeakPolarHBondContact ND2-CD1 3.41Å; N183-F245 WeakPolarHBondContact ND2-CE1 3.39Å; N183-F245 WeakPolarHBondContact OD1-CD1 3.26Å; N183-F245 WeakPolarHBondContact OD1-CE1 3.35Å; R243-F245 HydrophobicContact CB-CE2 3.7Å; R243-F245 HydrophobicContact CB-CZ 4.13Å; R243-F245 WeakPolarHBondContact O-CD2 3.35Å; R243-F245 VanDerWaalsContact O-CE2 3.31Å; R243-F245 WeakPolarHBondContact O-CE2 3.42Å; F245-H247 PolarHBondContact O-N 3.22Å; F245-H247 VanDerWaalsContact O-N 3.11Å; F245-P252 HydrophobicContact CD1-CB 3.58Å; F245-P252 HydrophobicContact CD1-CG 3.26Å; F245-P252 HydrophobicContact CE1-CB 3.44Å; F245-P252 VanDerWaalsContact CE1-CB 3.44Å; F245-P252 HydrophobicContact CE1-CG 3.4Å; F245-P252 VanDerWaalsContact CE1-CG 3.4Å; F245-P252 HydrophobicContact CG-CB 4.22Å; F245-P252 HydrophobicContact CG-CG 4.18Å; F245-P252 HydrophobicContact CZ-CB 4.03Å; F245-P252 HydrophobicContact CZ-CG 4.44Å; F245-L254 HydrophobicContact CE1-CD2 4.07Å
246S81.2Confident87.6Confident6 Ų628.2 Ų28.24%0.04214%0.143CC..SBendtrans-74.73.4-172.869.70000115.3T23 N25 F307T23-S246 WeakPolarHBondContact CA-OG 3.42Å; T23-S246 PolarHBondContact O-N 2.9Å; N25-S246 VanDerWaalsContact O-CA 3.3Å; N25-S246 WeakPolarHBondContact O-CA 3.41Å; N25-S246 PolarHBondContact O-N 3.23Å; S246-F307 VanDerWaalsContact OG-CZ 3.27Å; S246-F307 WeakPolarHBondContact OG-CZ 3.37Å
247H85.9Confident87.8Confident31 Ų3124.1 Ų24.114%0.14412%0.122CC..  trans-136.9131.2-177-165-81000112.7F245 N249 V250 F307F245-H247 PolarHBondContact O-N 3.22Å; F245-H247 VanDerWaalsContact O-N 3.11Å; H247-N249 PolarHBondContact CE1-OD1 2.75Å; H247-N249 PolarHBondContact ND1-N 3.25Å; H247-N249 VanDerWaalsContact ND1-N 3.17Å; H247-N249 PolarHBondContact O-N 3.17Å; H247-V250 HydrophobicContact CB-CB 4.2Å; H247-V250 HydrophobicContact CB-CG2 3.97Å; H247-V250 PolarHBondContact O-N 2.95Å; H247-F307 HydrophobicContact CB-CD1 3.53Å; H247-F307 HydrophobicContact CB-CD2 4.39Å; H247-F307 HydrophobicContact CB-CE1 3.57Å; H247-F307 HydrophobicContact CB-CE2 4.43Å; H247-F307 HydrophobicContact CB-CG 3.96Å; H247-F307 HydrophobicContact CB-CZ 4.05Å; H247-F307 WeakPolarHBondContact CD2-CB 3.2Å; H247-F307 AromaticContact CD2-CD1 3.78Å; H247-F307 AromaticContact CD2-CD2 3.77Å; H247-F307 AromaticContact CD2-CG 3.33Å; H247-F307 WeakPolarHBondContact CD2-CG 3.46Å; H247-F307 AromaticContact CG-CD1 3.61Å; H247-F307 AromaticContact CG-CG 3.69Å
248P85.6Confident87.6Confident18 Ų1822.2 Ų22.212%0.11711%0.113CC..THydrogen-bonded Turntrans-64.6-40.7-174.226.7-39.2000113.2R56 G57 V250 R334R56-P248 VanDerWaalsContact O-CD 3.23Å; R56-P248 WeakPolarHBondContact O-CD 3.47Å; G57-P248 VanDerWaalsContact CA-CG 3.42Å; P248-V250 PolarHBondContact O-N 3.1Å; P248-R334 WeakPolarHBondContact O-CG 3.47Å; P248-R334 PolarHBondContact O-NE 2.98Å; P248-R334 PolarHBondContact O-NH2 3.13Å
249N93.2Very high87Confident5 Ų521.2 Ų21.23%0.02711%0.11CC..THydrogen-bonded Turntrans-87.813.9-177.8-50.8107.2000112.8H247 D300 T332 A333 R334 I335H247-N249 PolarHBondContact CE1-OD1 2.75Å; H247-N249 PolarHBondContact ND1-N 3.25Å; H247-N249 VanDerWaalsContact ND1-N 3.17Å; H247-N249 PolarHBondContact O-N 3.17Å; N249-D300 WeakPolarHBondContact CB-O 3.44Å; N249-D300 WeakPolarHBondContact ND2-CA 3.23Å; N249-D300 WeakPolarHBondContact ND2-CB 3.06Å; N249-D300 VanDerWaalsContact ND2-CG 3.26Å; N249-D300 PolarHBondContact ND2-OD1 2.94Å; N249-T332 WeakPolarHBondContact ND2-CG2 3.46Å; N249-A333 PolarHBondContact ND2-O 2.96Å; N249-A333 VanDerWaalsContact ND2-O 3.1Å; N249-R334 CarbonylContact O-C 3.38Å; N249-R334 WeakPolarHBondContact O-CA 3.48Å; N249-I335 PolarHBondContact O-N 3.06Å
250V93Very high86.3Confident0 Ų024.8 Ų24.80%013%0.133CC..EExtended strand (participates in β ladder)trans-112.8127.5169.3177.20000107.1I244 H247 P248 P252 F307 L308 M337I244-V250 HydrophobicContact CB-CG1 4.1Å; I244-V250 HydrophobicContact CG2-CG1 4.26Å; H247-V250 HydrophobicContact CB-CB 4.2Å; H247-V250 HydrophobicContact CB-CG2 3.97Å; H247-V250 PolarHBondContact O-N 2.95Å; P248-V250 PolarHBondContact O-N 3.1Å; V250-P252 WeakPolarHBondContact O-CD 3.37Å; V250-F307 HydrophobicContact CG2-CD1 3.97Å; V250-F307 HydrophobicContact CG2-CE1 4.3Å; V250-L308 HydrophobicContact CG1-CD2 4.46Å; V250-L308 HydrophobicContact CG2-CD1 4.47Å; V250-L308 HydrophobicContact CG2-CD2 3.94Å; V250-L308 HydrophobicContact CG2-CG 4.09Å; V250-M337 HydrophobicContact CG1-CE 4.07Å; V250-M337 HydrophobicContact CG1-CG 3.53Å; V250-M337 HydrophobicContact CG1-SD 3.97Å
251L93.4Very high85.4Confident1 Ų128.4 Ų28.41%0.00516%0.157CC..EExtended strand (participates in β ladder)trans-94.5106.1173.5173.162.2000108.5H270 M272 M326 R334 I335 M337L251-H270 HydrophobicContact CD1-CB 4.07Å; L251-M272 HydrophobicContact CD1-CE 3.67Å; L251-M272 HydrophobicContact CD2-CE 4.33Å; L251-M272 HydrophobicContact CD2-CG 3.96Å; L251-M272 HydrophobicContact CD2-SD 4.41Å; L251-M326 HydrophobicContact CD2-CB 3.91Å; L251-M326 HydrophobicContact CD2-CG 3.61Å; L251-R334 HydrophobicContact CB-CB 3.84Å; L251-I335 PolarHBondContact N-O 3.43Å; L251-M337 WeakPolarHBondContact O-CB 3.46Å; L251-M337 WeakPolarHBondContact O-CG 3.38Å; L251-M337 PolarHBondContact O-N 3.47Å
252P91.2Very high84.6Confident5 Ų525.9 Ų25.93%0.03216%0.157CC..  trans-69.2157.4-177.521.1-30.4000113.2I244 F245 V250 T269I244-P252 WeakPolarHBondContact O-CB 3.45Å; F245-P252 HydrophobicContact CD1-CB 3.58Å; F245-P252 HydrophobicContact CD1-CG 3.26Å; F245-P252 HydrophobicContact CE1-CB 3.44Å; F245-P252 VanDerWaalsContact CE1-CB 3.44Å; F245-P252 HydrophobicContact CE1-CG 3.4Å; F245-P252 VanDerWaalsContact CE1-CG 3.4Å; F245-P252 HydrophobicContact CG-CB 4.22Å; F245-P252 HydrophobicContact CG-CG 4.18Å; F245-P252 HydrophobicContact CZ-CB 4.03Å; F245-P252 HydrophobicContact CZ-CG 4.44Å; V250-P252 WeakPolarHBondContact O-CD 3.37Å; P252-T269 PolarHBondContact O-OG1 2.65Å
253V90.2Very high83.8Confident0 Ų028.2 Ų28.20%017%0.172CC..EExtended strand (participates in β ladder)trans-73.6122.2154.5175.80000107.7L242 R243 G255 L267 M337 A338L242-V253 HydrophobicContact CB-CB 4.14Å; L242-V253 HydrophobicContact CB-CG2 3.7Å; L242-V253 HydrophobicContact CD1-CG2 4.38Å; L242-V253 PolarHBondContact O-N 3.02Å; R243-V253 HydrophobicContact CG-CB 4.5Å; R243-V253 WeakPolarHBondContact CG-O 3.4Å; V253-G255 VanDerWaalsContact CG1-O 3.28Å; V253-G255 WeakPolarHBondContact CG1-O 3.39Å; V253-L267 HydrophobicContact CG1-CD2 4.06Å; V253-M337 HydrophobicContact CG2-CB 4.28Å; V253-A338 HydrophobicContact CG2-CB 4.2Å
254L87.3Confident83.6Confident1 Ų128.3 Ų28.31%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-67.2-45.6177.1-72.6175.6000110.8L182 N183 I217 R243 F245 I268 H270L182-L254 HydrophobicContact CB-CD1 3.91Å; L182-L254 HydrophobicContact CB-CD2 3.8Å; L182-L254 HydrophobicContact CB-CG 4.32Å; L182-L254 HydrophobicContact CD1-CD1 3.9Å; N183-L254 VanDerWaalsContact OD1-CD2 3.23Å; N183-L254 WeakPolarHBondContact OD1-CD2 3.49Å; I217-L254 HydrophobicContact CG2-CD1 4.03Å; R243-L254 PolarHBondContact NE-O 3.38Å; R243-L254 PolarHBondContact NH2-O 2.94Å; F245-L254 HydrophobicContact CE1-CD2 4.07Å; L254-I268 HydrophobicContact CB-CB 4.46Å; L254-I268 HydrophobicContact CB-CG2 4.16Å; L254-I268 WeakPolarHBondContact CB-O 3.47Å; L254-I268 HydrophobicContact CD1-CG2 4.12Å; L254-I268 PolarHBondContact N-O 2.92Å; L254-H270 WeakPolarHBondContact CD2-CE1 3.32Å
255G84.7Confident83.8Confident4 Ų428 Ų284%0.04117%0.174CC..EExtended strand (participates in β ladder)trans-175.3-174.7174.800000111.1V253 I268V253-G255 VanDerWaalsContact CG1-O 3.28Å; V253-G255 WeakPolarHBondContact CG1-O 3.39Å; G255-I268 WeakPolarHBondContact O-CD1 3.47Å; G255-I268 PolarHBondContact O-N 2.95Å
256A87.2Confident84.2Confident24 Ų2427.6 Ų27.620%0.19817%0.172CC..EExtended strand (participates in β ladder)trans-141.5154.9-17900000111.1F235 C239 T266 L267F235-A256 HydrophobicContact CE1-CB 3.78Å; F235-A256 HydrophobicContact CZ-CB 3.56Å; C239-A256 WeakPolarHBondContact SG-CB 3.49Å; A256-T266 CarbonylContact C-O 3.37Å; A256-T266 WeakPolarHBondContact CA-O 3.13Å; A256-L267 HydrophobicContact CB-CD2 4.15Å
257C85.7Confident84.7Confident11 Ų1127.4 Ų27.47%0.07417%0.17CC..EExtended strand (participates in β ladder)trans-150.2175.1175.2660000110.6I188 T266I188-C257 HydrophobicContact CB-CB 4.48Å; I188-C257 WeakPolarHBondContact O-CB 3.48Å; C257-T266 PolarHBondContact N-O 3.35Å; C257-T266 WeakPolarHBondContact O-CA 3.24Å; C257-T266 WeakPolarHBondContact O-CB 3.4Å; C257-T266 PolarHBondContact O-N 3.32Å
258Q82.3Confident85Confident82 Ų8226 Ų2638%0.38316%0.163SC..EExtended strand (participates in β ladder)trans-107129.2172.9-65.9178.7-800108.9S232 P263S232-Q258 PolarHBondContact OG-NE2 3.41Å; Q258-P263 HydrophobicContact CB-CB 4.34Å
259S77.5Confident85.3Confident14 Ų1425.6 Ų25.610%0.09816%0.161CC..EExtended strand (participates in β ladder)trans-85.5127176.4178.60000110.5F190 A262 P263 H264 T266F190-S259 WeakPolarHBondContact CE2-OG 3.42Å; F190-S259 WeakPolarHBondContact CZ-OG 3.49Å; S259-A262 CarbonylContact O-C 3.57Å; S259-A262 VanDerWaalsContact O-C 3.31Å; S259-P263 WeakPolarHBondContact O-CA 3.48Å; S259-H264 PolarHBondContact N-O 2.99Å; S259-H264 PolarHBondContact O-N 3.47Å; S259-T266 WeakPolarHBondContact CB-OG1 3.38Å
260P72.9Confident85.2Confident82 Ų8226.7 Ų26.753%0.53217%0.166SC..THydrogen-bonded Turntrans-78.9156.6163.630.9-30.5000111.1F190F190-P260 HydrophobicContact CD1-CG 4.33Å
261P65.9Low85.2Confident142 Ų14230 Ų3092%0.92218%0.178SC*.THydrogen-bonded Turncis-88.8-14.41732.5-35.4000116
262A70Confident85.1Confident45 Ų4530.3 Ų30.337%0.37218%0.18SC..THydrogen-bonded Turntrans-119.4127.2170.100000107.7S259 H264S259-A262 CarbonylContact O-C 3.57Å; S259-A262 VanDerWaalsContact O-C 3.31Å; A262-H264 VanDerWaalsContact C-N 3.32Å; A262-H264 PolarHBondContact O-CD2 3.14Å; A262-H264 PolarHBondContact O-N 3.26Å
263P73.1Confident85Confident57 Ų5733.2 Ų33.237%0.3720%0.199SC..THydrogen-bonded Turntrans-61.291.6-169.925.2-35.1000111.1W227 Q258 S259W227-P263 VanDerWaalsContact CD1-CG 3.48Å; W227-P263 HydrophobicContact CG-CG 4.29Å; Q258-P263 HydrophobicContact CB-CB 4.34Å; S259-P263 WeakPolarHBondContact O-CA 3.48Å
264H85Confident85.1Confident52 Ų5237.2 Ų37.224%0.24121%0.214CC..EExtended strand (participates in β ladder)trans-97.7123.7175.4-72.4-49.6000108.3V221 L222 S259 A262 T266V221-H264 HydrophobicContact CG1-CB 3.97Å; L222-H264 WeakPolarHBondContact O-CB 3.23Å; L222-H264 PolarHBondContact O-ND1 3.36Å; S259-H264 PolarHBondContact N-O 2.99Å; S259-H264 PolarHBondContact O-N 3.47Å; A262-H264 VanDerWaalsContact C-N 3.32Å; A262-H264 PolarHBondContact O-CD2 3.14Å; A262-H264 PolarHBondContact O-N 3.26Å; H264-T266 PolarHBondContact O-N 3Å; H264-T266 PolarHBondContact O-OG1 3.04Å
265P90.7Very high85.3Confident0 Ų037.9 Ų37.90%022%0.222CC..EExtended strand (participates in β ladder)trans-62.5131.3178.422.9-28000109.1L222 V224 W227 F235L222-P265 HydrophobicContact CB-CG 3.99Å; L222-P265 VanDerWaalsContact CB-O 3.29Å; L222-P265 WeakPolarHBondContact CB-O 3.46Å; L222-P265 HydrophobicContact CD1-CB 4.16Å; L222-P265 HydrophobicContact CD1-CG 3.97Å; L222-P265 WeakPolarHBondContact CG-O 3.38Å; L222-P265 PolarHBondContact N-O 3.3Å; V224-P265 HydrophobicContact CG2-CG 3.87Å; W227-P265 HydrophobicContact CE3-CG 4.23Å; W227-P265 HydrophobicContact CH2-CB 3.81Å; W227-P265 HydrophobicContact CH2-CG 3.51Å; W227-P265 HydrophobicContact CZ2-CB 4.49Å; W227-P265 HydrophobicContact CZ2-CG 4.4Å; W227-P265 HydrophobicContact CZ3-CB 4.25Å; W227-P265 HydrophobicContact CZ3-CG 3.42Å; W227-P265 VanDerWaalsContact CZ3-CG 3.42Å; F235-P265 HydrophobicContact CD1-CB 4.09Å; F235-P265 HydrophobicContact CD2-CB 3.74Å; F235-P265 HydrophobicContact CD2-CG 4.48Å; F235-P265 HydrophobicContact CE1-CB 3.85Å; F235-P265 HydrophobicContact CE2-CB 3.47Å; F235-P265 VanDerWaalsContact CE2-CB 3.47Å; F235-P265 HydrophobicContact CE2-CG 4.49Å; F235-P265 HydrophobicContact CG-CB 4.03Å; F235-P265 HydrophobicContact CZ-CB 3.51Å
266T91.6Very high85.8Confident0 Ų038.1 Ų38.10%022%0.223CC..EExtended strand (participates in β ladder)trans-123.6122.8-173.9-62.20000108.3F190 L193 V219 K220 V221 A256 C257 S259 H264 I268F190-T266 HydrophobicContact CE2-CG2 4.4Å; L193-T266 HydrophobicContact CD1-CG2 4.49Å; V219-T266 HydrophobicContact CG1-CG2 3.25Å; K220-T266 CarbonylContact O-C 3.56Å; K220-T266 WeakPolarHBondContact O-CA 3.37Å; V221-T266 HydrophobicContact CG2-CG2 4.03Å; A256-T266 CarbonylContact C-O 3.37Å; A256-T266 WeakPolarHBondContact CA-O 3.13Å; C257-T266 PolarHBondContact N-O 3.35Å; C257-T266 WeakPolarHBondContact O-CA 3.24Å; C257-T266 WeakPolarHBondContact O-CB 3.4Å; C257-T266 PolarHBondContact O-N 3.32Å; S259-T266 WeakPolarHBondContact CB-OG1 3.38Å; H264-T266 PolarHBondContact O-N 3Å; H264-T266 PolarHBondContact O-OG1 3.04Å; T266-I268 HydrophobicContact CG2-CD1 4.44Å
267L92.6Very high86.3Confident2 Ų237 Ų371%0.0121%0.213CC..EExtended strand (participates in β ladder)trans-99141.8175.5-61175000110.2V219 K220 L222 F235 V253 A256 A338 F342V219-L267 WeakPolarHBondContact CA-O 3.46Å; K220-L267 HydrophobicContact CB-CB 4.31Å; K220-L267 PolarHBondContact N-O 3.47Å; K220-L267 PolarHBondContact O-N 3.43Å; L222-L267 HydrophobicContact CD1-CD1 4.46Å; L222-L267 HydrophobicContact CD1-CG 4.4Å; F235-L267 HydrophobicContact CE2-CD2 3.93Å; F235-L267 HydrophobicContact CZ-CD2 3.99Å; V253-L267 HydrophobicContact CG1-CD2 4.06Å; A256-L267 HydrophobicContact CB-CD2 4.15Å; L267-A338 HydrophobicContact CD1-CB 4.39Å; L267-F342 HydrophobicContact CD1-CE2 3.95Å; L267-F342 HydrophobicContact CD1-CZ 4.43Å; L267-F342 HydrophobicContact CD2-CE2 4.14Å; L267-F342 HydrophobicContact CD2-CZ 3.94Å; L267-F342 HydrophobicContact CG-CE2 4.38Å
268I92.1Very high86.8Confident0 Ų038.2 Ų38.20%022%0.217CC..EExtended strand (participates in β ladder)trans-115.2129.4175-59.984.9000107.9I188 L193 W212 I217 V218 L254 G255 T266I188-I268 HydrophobicContact CD1-CB 4.21Å; I188-I268 HydrophobicContact CD1-CD1 4Å; I188-I268 HydrophobicContact CD1-CG1 4.2Å; I188-I268 HydrophobicContact CG2-CD1 4.33Å; L193-I268 HydrophobicContact CD1-CD1 4.14Å; L193-I268 HydrophobicContact CD1-CG1 4.02Å; L193-I268 HydrophobicContact CD2-CG1 4.03Å; W212-I268 HydrophobicContact CE3-CG2 4.37Å; I217-I268 HydrophobicContact CB-CG2 4.07Å; I217-I268 HydrophobicContact CD1-CG2 3.63Å; I217-I268 HydrophobicContact CG1-CG2 4.46Å; I217-I268 HydrophobicContact CG2-CG2 4.12Å; V218-I268 WeakPolarHBondContact O-CA 3.42Å; L254-I268 HydrophobicContact CB-CB 4.46Å; L254-I268 HydrophobicContact CB-CG2 4.16Å; L254-I268 WeakPolarHBondContact CB-O 3.47Å; L254-I268 HydrophobicContact CD1-CG2 4.12Å; L254-I268 PolarHBondContact N-O 2.92Å; G255-I268 WeakPolarHBondContact O-CD1 3.47Å; G255-I268 PolarHBondContact O-N 2.95Å; T266-I268 HydrophobicContact CG2-CD1 4.44Å
269T92.7Very high87.3Confident11 Ų1136.4 Ų36.47%0.06721%0.21CC..EExtended strand (participates in β ladder)trans-138.4171.9171.3-169.50000110.2I217 V218 P252 A338I217-T269 CarbonylContact C-O 3.43Å; I217-T269 WeakPolarHBondContact CA-O 3.46Å; I217-T269 WeakPolarHBondContact CB-O 3.19Å; V218-T269 HydrophobicContact CB-CG2 3.85Å; V218-T269 HydrophobicContact CG1-CG2 4.32Å; V218-T269 PolarHBondContact N-O 3.23Å; V218-T269 PolarHBondContact O-N 3.1Å; P252-T269 PolarHBondContact O-OG1 2.65Å; T269-A338 HydrophobicContact CG2-CB 4.09Å
270H90.8Very high88.1Confident27 Ų2736.2 Ų36.213%0.12521%0.208CC..EExtended strand (participates in β ladder)trans-67.5146.9179.9-65.493.2000111.6T181 L251 L254 M272T181-H270 WeakPolarHBondContact CG2-CE1 3.08Å; T181-H270 WeakPolarHBondContact CG2-NE2 3.48Å; L251-H270 HydrophobicContact CD1-CB 4.07Å; L254-H270 WeakPolarHBondContact CD2-CE1 3.32Å; H270-M272 HydrophobicContact CB-CE 3.5Å
271W92.9Very high89.1Confident71 Ų7133.4 Ų33.427%0.26919%0.188SC..  trans-67.8132.1165.9174.3-106.3000111L199 K209 D216 V218L199-W271 HydrophobicContact CD1-CZ3 3.7Å; L199-W271 HydrophobicContact CD2-CH2 4.26Å; L199-W271 HydrophobicContact CD2-CZ3 4.12Å; K209-W271 HydrophobicContact CB-CE3 4.33Å; K209-W271 HydrophobicContact CB-CZ3 4.21Å; K209-W271 HydrophobicContact CD-CD2 4.06Å; K209-W271 HydrophobicContact CD-CE3 3.99Å; K209-W271 HydrophobicContact CD-CH2 4.15Å; K209-W271 HydrophobicContact CD-CZ2 4.19Å; K209-W271 HydrophobicContact CD-CZ3 4.06Å; K209-W271 HydrophobicContact CG-CD2 4.33Å; K209-W271 HydrophobicContact CG-CE3 3.93Å; K209-W271 HydrophobicContact CG-CZ3 4.18Å; D216-W271 HydrophobicContact CB-CB 3.72Å; D216-W271 HydrophobicContact CB-CG 4.04Å; D216-W271 WeakPolarHBondContact O-CB 3.46Å; D216-W271 PolarHBondContact O-N 2.87Å; V218-W271 HydrophobicContact CG2-CE3 3.68Å; V218-W271 HydrophobicContact CG2-CZ3 4.25Å
272M91.8Very high90.4Very high7 Ų729.1 Ų29.13%0.03416%0.156CC..  trans-115.5110.1178.6-66-73.4130.400107.5L251 H270 Y274 G275 M326 D328L251-M272 HydrophobicContact CD1-CE 3.67Å; L251-M272 HydrophobicContact CD2-CE 4.33Å; L251-M272 HydrophobicContact CD2-CG 3.96Å; L251-M272 HydrophobicContact CD2-SD 4.41Å; H270-M272 HydrophobicContact CB-CE 3.5Å; M272-Y274 VanDerWaalsContact C-N 3.28Å; M272-Y274 PolarHBondContact O-N 3.29Å; M272-G275 PolarHBondContact O-N 3.35Å; M272-M326 HydrophobicContact CB-CB 4.1Å; M272-M326 HydrophobicContact CB-CE 3.9Å; M272-M326 HydrophobicContact CG-CB 3.66Å; M272-M326 HydrophobicContact CG-CE 4.25Å; M272-M326 HydrophobicContact CG-CG 4.28Å; M272-M326 HydrophobicContact SD-CB 4.24Å; M272-D328 HydrophobicContact SD-CB 3.77Å
273P88.5Confident91.3Very high66 Ų6632.8 Ų32.843%0.42917%0.165SC..THydrogen-bonded Turntrans-64.5-29.7-166.723.4-33000114E329P273-E329 HydrophobicContact CG-CB 4.04Å
274Y91.3Very high91.1Very high83 Ų8333.4 Ų33.433%0.32518%0.182SC..THydrogen-bonded Turntrans-91.3-2.6178-62.4-73.6000113.4M272 I327 D328 M331M272-Y274 VanDerWaalsContact C-N 3.28Å; M272-Y274 PolarHBondContact O-N 3.29Å; Y274-I327 HydrophobicContact CD2-CG2 4.08Å; Y274-I327 HydrophobicContact CG-CG2 4.4Å; Y274-D328 VanDerWaalsContact CD2-O 3.25Å; Y274-D328 WeakPolarHBondContact CD2-O 3.44Å; Y274-D328 WeakPolarHBondContact CE2-O 3.33Å; Y274-M331 HydrophobicContact CD2-SD 3.92Å; Y274-M331 HydrophobicContact CE1-SD 4.39Å; Y274-M331 HydrophobicContact CE2-SD 3.45Å; Y274-M331 WeakPolarHBondContact CE2-SD 3.27Å
275G92.9Very high90.4Very high16 Ų1632.7 Ų32.717%0.16518%0.181CC..  trans71.7-150.7-175.300000112.8M272 M326 I327M272-G275 PolarHBondContact O-N 3.35Å; G275-M326 WeakPolarHBondContact O-CA 3.26Å; G275-I327 PolarHBondContact O-N 2.99Å
276S95.3Very high89.6Confident9 Ų941.4 Ų41.46%0.06323%0.228CC..BIsolated β-bridgetrans-78.3162.6175.171.50000112.2Y278 N279 V280 V325S276-Y278 PolarHBondContact O-N 2.94Å; S276-Y278 PolarHBondContact OG-N 3.31Å; S276-N279 WeakPolarHBondContact CA-OD1 3.42Å; S276-N279 WeakPolarHBondContact CB-OD1 3.39Å; S276-N279 PolarHBondContact N-OD1 3.14Å; S276-N279 WeakPolarHBondContact O-CB 3.13Å; S276-N279 PolarHBondContact O-N 2.92Å; S276-N279 PolarHBondContact OG-N 3.09Å; S276-N279 PolarHBondContact OG-OD1 3.21Å; S276-V280 PolarHBondContact O-N 3.11Å; S276-V280 VanDerWaalsContact O-N 3.17Å; S276-V325 CarbonylContact C-O 3.56Å; S276-V325 WeakPolarHBondContact CA-O 3.31Å; S276-V325 WeakPolarHBondContact CB-O 3.38Å
277L96.4Very high88.8Confident0 Ų044.2 Ų44.20%024%0.24CC..Hα-helixtrans-54.7-35.7171.4179.762.6000110.9N279 V280 L281 F297 M301 S322 V325 I327 L381 L385L277-N279 VanDerWaalsContact C-N 3.31Å; L277-N279 PolarHBondContact O-N 2.88Å; L277-V280 PolarHBondContact O-N 2.99Å; L277-L281 HydrophobicContact CD1-CD1 3.93Å; L277-L281 HydrophobicContact CD1-CD2 4.3Å; L277-L281 HydrophobicContact CD1-CG 3.9Å; L277-L281 HydrophobicContact CD2-CD1 4.39Å; L277-L281 HydrophobicContact CG-CD1 3.81Å; L277-L281 HydrophobicContact CG-CG 4.16Å; L277-L281 WeakPolarHBondContact O-CB 3.32Å; L277-L281 VanDerWaalsContact O-CG 3.23Å; L277-L281 WeakPolarHBondContact O-CG 3.37Å; L277-L281 PolarHBondContact O-N 3.1Å; L277-F297 HydrophobicContact CD1-CD2 4.01Å; L277-F297 HydrophobicContact CD1-CE2 4.25Å; L277-M301 HydrophobicContact CD2-CE 4.34Å; L277-M301 HydrophobicContact CD2-SD 4.08Å; L277-S322 WeakPolarHBondContact CB-O 3.47Å; L277-S322 PolarHBondContact N-O 2.92Å; L277-V325 HydrophobicContact CB-CB 4.13Å; L277-V325 HydrophobicContact CB-CG1 4.2Å; L277-V325 PolarHBondContact N-O 2.77Å; L277-I327 HydrophobicContact CB-CD1 4.45Å; L277-I327 HydrophobicContact CD1-CD1 4.42Å; L277-L381 HydrophobicContact CD2-CD2 4.1Å; L277-L385 HydrophobicContact CD1-CD2 3.91Å; L277-L385 HydrophobicContact CD2-CD2 4.23Å; L277-L385 HydrophobicContact CD2-CG 4.43Å
278Y95.6Very high88.3Confident36 Ų3650.2 Ų50.214%0.14128%0.277CS..Hα-helixtrans-59.2-40.3174.1-171.9-85.8000112.3S276 L281 H282 E283 S322 R323 V390S276-Y278 PolarHBondContact O-N 2.94Å; S276-Y278 PolarHBondContact OG-N 3.31Å; Y278-L281 PolarHBondContact O-N 3.14Å; Y278-H282 AromaticContact CD2-CD2 3.53Å; Y278-H282 HydrophobicContact CE1-CB 4.23Å; Y278-H282 AromaticContact CE2-CD2 3.62Å; Y278-H282 AromaticContact CG-CD2 3.99Å; Y278-H282 WeakPolarHBondContact O-CB 3.47Å; Y278-H282 PolarHBondContact O-N 3.19Å; Y278-E283 HydrophobicContact CD1-CG 4.22Å; Y278-E283 HydrophobicContact CE1-CG 4Å; Y278-E283 WeakPolarHBondContact CE1-OE1 3.45Å; Y278-S322 WeakPolarHBondContact CD2-OG 3.43Å; Y278-S322 PolarHBondContact N-O 3.02Å; Y278-R323 HydrophobicContact CD2-CG 4.29Å; Y278-R323 VanDerWaalsContact CE2-CZ 3.47Å; Y278-R323 HydrophobicContact CG-CG 3.96Å; Y278-R323 PolarHBondContact OH-NH2 2.83Å; Y278-V390 HydrophobicContact CE2-CG1 4.31Å; Y278-V390 HydrophobicContact CE2-CG2 3.77Å
279N94.1Very high88Confident45 Ų4550.7 Ų50.724%0.24128%0.28CS..Hα-helixtrans-67-43.5178.3-53.8109.5000110.6S276 L277 L281 E283S276-N279 WeakPolarHBondContact CA-OD1 3.42Å; S276-N279 WeakPolarHBondContact CB-OD1 3.39Å; S276-N279 PolarHBondContact N-OD1 3.14Å; S276-N279 WeakPolarHBondContact O-CB 3.13Å; S276-N279 PolarHBondContact O-N 2.92Å; S276-N279 PolarHBondContact OG-N 3.09Å; S276-N279 PolarHBondContact OG-OD1 3.21Å; L277-N279 VanDerWaalsContact C-N 3.31Å; L277-N279 PolarHBondContact O-N 2.88Å; N279-L281 VanDerWaalsContact C-N 3.31Å; N279-L281 PolarHBondContact O-N 3.44Å; N279-E283 PolarHBondContact ND2-OE2 3.02Å; N279-E283 PolarHBondContact O-N 3.12Å; N279-E283 VanDerWaalsContact O-N 3.1Å
280V93.5Very high87.9Confident9 Ų954.5 Ų54.56%0.05530%0.299CS..Hα-helixtrans-60.2-41.4178.3174.90000111.8S276 L277 T285 F287 V289 I327S276-V280 PolarHBondContact O-N 3.11Å; S276-V280 VanDerWaalsContact O-N 3.17Å; L277-V280 PolarHBondContact O-N 2.99Å; V280-T285 HydrophobicContact CB-CG2 4.4Å; V280-T285 HydrophobicContact CG2-CG2 4.06Å; V280-F287 HydrophobicContact CG1-CD1 4.39Å; V280-V289 HydrophobicContact CG1-CG2 3.44Å; V280-V289 VanDerWaalsContact CG1-CG2 3.44Å; V280-I327 HydrophobicContact CG2-CB 4.28Å; V280-I327 HydrophobicContact CG2-CG1 3.9Å
281L94.1Very high87.8Confident24 Ų2459.8 Ų59.813%0.12632%0.324CS..Hα-helixtrans-82.3-39.4-175.9-63.9-176.6000113.9L277 Y278 N279 V289 E384 L385L277-L281 HydrophobicContact CD1-CD1 3.93Å; L277-L281 HydrophobicContact CD1-CD2 4.3Å; L277-L281 HydrophobicContact CD1-CG 3.9Å; L277-L281 HydrophobicContact CD2-CD1 4.39Å; L277-L281 HydrophobicContact CG-CD1 3.81Å; L277-L281 HydrophobicContact CG-CG 4.16Å; L277-L281 WeakPolarHBondContact O-CB 3.32Å; L277-L281 VanDerWaalsContact O-CG 3.23Å; L277-L281 WeakPolarHBondContact O-CG 3.37Å; L277-L281 PolarHBondContact O-N 3.1Å; Y278-L281 PolarHBondContact O-N 3.14Å; N279-L281 VanDerWaalsContact C-N 3.31Å; N279-L281 PolarHBondContact O-N 3.44Å; L281-V289 HydrophobicContact CD2-CB 4.49Å; L281-V289 HydrophobicContact CD2-CG2 3.98Å; L281-E384 HydrophobicContact CD1-CG 3.79Å; L281-L385 HydrophobicContact CD1-CD2 4.28Å; L281-L385 HydrophobicContact CD2-CD2 4.38Å
282H93.8Very high87.6Confident52 Ų5259.6 Ų59.624%0.24133%0.334CS..Hα-helixtrans-124.6-20.4-162.4-53.3-60.6000114.9Y278 E384 V390Y278-H282 AromaticContact CD2-CD2 3.53Å; Y278-H282 HydrophobicContact CE1-CB 4.23Å; Y278-H282 AromaticContact CE2-CD2 3.62Å; Y278-H282 AromaticContact CG-CD2 3.99Å; Y278-H282 WeakPolarHBondContact O-CB 3.47Å; Y278-H282 PolarHBondContact O-N 3.19Å; H282-E384 IonicContact CD2-OE1 2.7Å; H282-E384 IonicContact CE1-OE1 3.81Å; H282-E384 IonicContact NE2-OE1 3.09Å; H282-E384 PolarHBondContact NE2-OE1 2.99Å; H282-V390 HydrophobicContact CB-CG2 4.4Å
283E88.4Confident87.6Confident121 Ų12160.6 Ų60.657%0.56534%0.339SS*.THydrogen-bonded Turntrans-107.110.5-175.6-60.9-175.3176.700113.6Y278 N279Y278-E283 HydrophobicContact CD1-CG 4.22Å; Y278-E283 HydrophobicContact CE1-CG 4Å; Y278-E283 WeakPolarHBondContact CE1-OE1 3.45Å; N279-E283 PolarHBondContact ND2-OE2 3.02Å; N279-E283 PolarHBondContact O-N 3.12Å; N279-E283 VanDerWaalsContact O-N 3.1Å
284G68.2Low87.9Confident70 Ų7057.9 Ų57.972%0.72232%0.321SS*.THydrogen-bonded Turntrans75.190.5173.600000112.5
285T72.2Confident88Confident38 Ų3854.6 Ų54.623%0.23331%0.31CS..  trans-97.6160.1161.762.10000109.7V280 F287V280-T285 HydrophobicContact CB-CG2 4.4Å; V280-T285 HydrophobicContact CG2-CG2 4.06Å; T285-F287 PolarHBondContact O-N 3.12Å; T285-F287 PolarHBondContact OG1-O 3.41Å
286N72.4Confident88Confident183 Ų18355.8 Ų55.898%0.97931%0.31SS*.SBendtrans-67.27.1174.2-69.9-18.7000113.3
287F75.8Confident88.1Confident58 Ų5855.3 Ų55.325%0.25431%0.307SS..  trans-117.7122.5-175.1178.6-97.3000110V280 T285 V289 Q293 M331V280-F287 HydrophobicContact CG1-CD1 4.39Å; T285-F287 PolarHBondContact O-N 3.12Å; T285-F287 PolarHBondContact OG1-O 3.41Å; F287-V289 HydrophobicContact CD1-CG2 3.87Å; F287-V289 HydrophobicContact CE1-CB 4.06Å; F287-V289 HydrophobicContact CE1-CG2 3.72Å; F287-Q293 HydrophobicContact CE1-CB 4.45Å; F287-Q293 HydrophobicContact CE1-CG 3.76Å; F287-Q293 HydrophobicContact CZ-CB 4.17Å; F287-Q293 HydrophobicContact CZ-CG 3.7Å; F287-M331 HydrophobicContact CB-CE 4.27Å; F287-M331 HydrophobicContact CD1-CE 3.16Å; F287-M331 HydrophobicContact CD2-CE 3.54Å; F287-M331 HydrophobicContact CE1-CE 3.14Å; F287-M331 HydrophobicContact CE2-CE 3.56Å; F287-M331 HydrophobicContact CG-CE 3.34Å; F287-M331 HydrophobicContact CZ-CE 3.37Å
288V80.7Confident88.1Confident128 Ų12855.3 Ų55.378%0.77631%0.307SS*.  trans-89.6118.8170.7179.90000107.9D290V288-D290 PolarHBondContact O-N 2.87Å
289V87.5Confident88.1Confident10 Ų1053.7 Ų53.76%0.06130%0.301CS..  trans-74.1115.6173-170.70000107.7V280 L281 F287 Q293 A294 F297 R388V280-V289 HydrophobicContact CG1-CG2 3.44Å; V280-V289 VanDerWaalsContact CG1-CG2 3.44Å; L281-V289 HydrophobicContact CD2-CB 4.49Å; L281-V289 HydrophobicContact CD2-CG2 3.98Å; F287-V289 HydrophobicContact CD1-CG2 3.87Å; F287-V289 HydrophobicContact CE1-CB 4.06Å; F287-V289 HydrophobicContact CE1-CG2 3.72Å; V289-Q293 HydrophobicContact CG1-CB 3.93Å; V289-Q293 HydrophobicContact CG1-CG 3.92Å; V289-A294 HydrophobicContact CG1-CB 4.22Å; V289-F297 HydrophobicContact CG1-CD2 3.94Å; V289-F297 HydrophobicContact CG1-CE2 3.82Å; V289-F297 HydrophobicContact CG2-CE2 3.92Å; V289-R388 VanDerWaalsContact CB-CZ 3.4Å; V289-R388 PolarHBondContact O-NH2 3.47Å
290D89.9Confident88.2Confident91 Ų9152 Ų5249%0.48729%0.292SS..  trans-87.2-173.7171.868.915000111.2V288 S292 Q293 A294 R388V288-D290 PolarHBondContact O-N 2.87Å; D290-S292 PolarHBondContact OD1-N 2.67Å; D290-Q293 WeakPolarHBondContact OD1-CB 3.37Å; D290-Q293 PolarHBondContact OD1-N 3.31Å; D290-A294 VanDerWaalsContact O-CB 3.28Å; D290-A294 WeakPolarHBondContact O-CB 3.27Å; D290-A294 PolarHBondContact O-N 3.3Å; D290-R388 PolarHBondContact O-NH2 3.08Å
291Q87.7Confident88.4Confident139 Ų13951.6 Ų51.665%0.6529%0.289SS*.Hα-helixtrans-65.9-39.6178.6-174.8177.1-4.600112.3A294 V295Q291-A294 PolarHBondContact O-N 3.4Å; Q291-V295 WeakPolarHBondContact O-CG2 3.23Å; Q291-V295 PolarHBondContact O-N 3.36Å
292S90Very high88.5Confident67 Ų6750.4 Ų50.447%0.46928%0.284SS..Hα-helixtrans-65.4-46.2-178.8-174.50000110.7D290 A294 V295 K296D290-S292 PolarHBondContact OD1-N 2.67Å; S292-A294 VanDerWaalsContact C-N 3.35Å; S292-A294 PolarHBondContact O-N 3.17Å; S292-V295 PolarHBondContact O-N 2.74Å; S292-K296 PolarHBondContact O-N 2.81Å
293Q92.1Very high88.6Confident28 Ų2851.8 Ų51.813%0.13129%0.286CS..Hα-helixtrans-67.2-35.5176.6-171.565.145.100112F287 V289 D290 K296 F297 M331F287-Q293 HydrophobicContact CE1-CB 4.45Å; F287-Q293 HydrophobicContact CE1-CG 3.76Å; F287-Q293 HydrophobicContact CZ-CB 4.17Å; F287-Q293 HydrophobicContact CZ-CG 3.7Å; V289-Q293 HydrophobicContact CG1-CB 3.93Å; V289-Q293 HydrophobicContact CG1-CG 3.92Å; D290-Q293 WeakPolarHBondContact OD1-CB 3.37Å; D290-Q293 PolarHBondContact OD1-N 3.31Å; Q293-K296 PolarHBondContact O-N 3.47Å; Q293-F297 HydrophobicContact CG-CD2 4.1Å; Q293-F297 HydrophobicContact CG-CE1 4.28Å; Q293-F297 HydrophobicContact CG-CE2 3.69Å; Q293-F297 HydrophobicContact CG-CZ 3.79Å; Q293-F297 VanDerWaalsContact NE2-CD1 3.31Å; Q293-F297 VanDerWaalsContact NE2-CZ 3.29Å; Q293-F297 WeakPolarHBondContact O-CG 3.47Å; Q293-F297 PolarHBondContact O-N 3.44Å; Q293-M331 PolarHBondContact NE2-O 3.12Å
294A93.5Very high89Confident8 Ų846 Ų467%0.06626%0.26CS..Hα-helixtrans-61.6-43.9173.500000111.6V289 D290 Q291 S292 F297 A298 L385V289-A294 HydrophobicContact CG1-CB 4.22Å; D290-A294 VanDerWaalsContact O-CB 3.28Å; D290-A294 WeakPolarHBondContact O-CB 3.27Å; D290-A294 PolarHBondContact O-N 3.3Å; Q291-A294 PolarHBondContact O-N 3.4Å; S292-A294 VanDerWaalsContact C-N 3.35Å; S292-A294 PolarHBondContact O-N 3.17Å; A294-F297 PolarHBondContact O-N 3.36Å; A294-A298 WeakPolarHBondContact O-CB 3.08Å; A294-A298 PolarHBondContact O-N 2.82Å; A294-L385 HydrophobicContact CB-CB 4.36Å; A294-L385 HydrophobicContact CB-CD2 4.47Å
295V93.6Very high90.3Very high14 Ų1442.7 Ų42.79%0.08523%0.225CC..Hα-helixtrans-64.2-41.3174.3174.40000110.9Q291 S292 A298 L299 M449 Q450Q291-V295 WeakPolarHBondContact O-CG2 3.23Å; Q291-V295 PolarHBondContact O-N 3.36Å; S292-V295 PolarHBondContact O-N 2.74Å; V295-A298 PolarHBondContact O-N 2.77Å; V295-L299 WeakPolarHBondContact O-CB 3.34Å; V295-L299 PolarHBondContact O-N 3.1Å; V295-M449 HydrophobicContact CG1-CB 3.8Å; V295-Q450 HydrophobicContact CG1-CB 4.09Å
296K93.5Very high91.5Very high41 Ų4142 Ų4218%0.17822%0.223CC..Hα-helixtrans-59-49174.6-178-179179.7-62.10111.7S292 Q293 A298 L299 D300 M331 T332S292-K296 PolarHBondContact O-N 2.81Å; Q293-K296 PolarHBondContact O-N 3.47Å; K296-A298 VanDerWaalsContact C-N 3.32Å; K296-A298 PolarHBondContact O-N 3.34Å; K296-L299 WeakPolarHBondContact O-CB 3.33Å; K296-L299 PolarHBondContact O-N 3Å; K296-D300 IonicContact NZ-OD2 2.77Å; K296-D300 PolarHBondContact NZ-OD2 2.84Å; K296-D300 WeakPolarHBondContact O-CB 3.36Å; K296-D300 PolarHBondContact O-N 3.46Å; K296-M331 PolarHBondContact NZ-O 2.99Å; K296-T332 PolarHBondContact NZ-OG1 2.87Å
297F96.2Very high92.5Very high0 Ų035.2 Ų35.20%019%0.185CC..Hα-helixtrans-61.3-41.5177.1-70.4-30.5000111.9L277 V289 Q293 A294 L299 D300 M301 I327 M331 A333 L385L277-F297 HydrophobicContact CD1-CD2 4.01Å; L277-F297 HydrophobicContact CD1-CE2 4.25Å; V289-F297 HydrophobicContact CG1-CD2 3.94Å; V289-F297 HydrophobicContact CG1-CE2 3.82Å; V289-F297 HydrophobicContact CG2-CE2 3.92Å; Q293-F297 HydrophobicContact CG-CD2 4.1Å; Q293-F297 HydrophobicContact CG-CE1 4.28Å; Q293-F297 HydrophobicContact CG-CE2 3.69Å; Q293-F297 HydrophobicContact CG-CZ 3.79Å; Q293-F297 VanDerWaalsContact NE2-CD1 3.31Å; Q293-F297 VanDerWaalsContact NE2-CZ 3.29Å; Q293-F297 WeakPolarHBondContact O-CG 3.47Å; Q293-F297 PolarHBondContact O-N 3.44Å; A294-F297 PolarHBondContact O-N 3.36Å; F297-L299 VanDerWaalsContact C-N 3.35Å; F297-L299 PolarHBondContact O-N 2.84Å; F297-D300 PolarHBondContact O-N 3.38Å; F297-M301 WeakPolarHBondContact O-CE 3.46Å; F297-M301 VanDerWaalsContact O-CG 3.29Å; F297-M301 WeakPolarHBondContact O-CG 3.38Å; F297-M301 PolarHBondContact O-N 2.99Å; F297-I327 HydrophobicContact CD1-CD1 4.06Å; F297-I327 HydrophobicContact CE1-CD1 3.7Å; F297-I327 HydrophobicContact CE1-CG1 4.38Å; F297-I327 HydrophobicContact CE1-CG2 4.03Å; F297-I327 HydrophobicContact CZ-CD1 4.01Å; F297-I327 HydrophobicContact CZ-CG1 4.29Å; F297-I327 HydrophobicContact CZ-CG2 4.03Å; F297-M331 VanDerWaalsContact CE1-O 3.24Å; F297-M331 WeakPolarHBondContact CE1-O 3.06Å; F297-M331 HydrophobicContact CZ-CE 4.19Å; F297-A333 HydrophobicContact CB-CB 4.38Å; F297-A333 HydrophobicContact CD1-CB 3.87Å; F297-A333 HydrophobicContact CG-CB 4.45Å; F297-L385 HydrophobicContact CB-CD1 4.27Å; F297-L385 HydrophobicContact CB-CD2 4.25Å; F297-L385 HydrophobicContact CD2-CD2 4.03Å
298A96.9Very high93.3Very high0 Ų032.8 Ų32.80%018%0.175CC..Hα-helixtrans-60.9-43.9174.700000111.7A294 V295 K296 M301 A302 F378 L382 L385 L446A294-A298 WeakPolarHBondContact O-CB 3.08Å; A294-A298 PolarHBondContact O-N 2.82Å; V295-A298 PolarHBondContact O-N 2.77Å; K296-A298 VanDerWaalsContact C-N 3.32Å; K296-A298 PolarHBondContact O-N 3.34Å; A298-M301 PolarHBondContact O-N 3.04Å; A298-A302 VanDerWaalsContact O-CB 3.3Å; A298-A302 WeakPolarHBondContact O-CB 3.07Å; A298-A302 PolarHBondContact O-N 3.08Å; A298-F378 HydrophobicContact CB-CE2 4.35Å; A298-F378 HydrophobicContact CB-CZ 4.19Å; A298-F378 VanDerWaalsContact O-CE2 3.3Å; A298-F378 WeakPolarHBondContact O-CE2 3.37Å; A298-L382 HydrophobicContact CB-CD1 4.02Å; A298-L385 HydrophobicContact CB-CD1 4.18Å; A298-L446 HydrophobicContact CB-CD2 4.08Å
299L95.7Very high94Very high1 Ų127.7 Ų27.71%0.00514%0.142CC..Hα-helixtrans-62.8-46.1176.5178.760.9000112.1V295 K296 F297 M301 A302 R303 V443 L446 E447V295-L299 WeakPolarHBondContact O-CB 3.34Å; V295-L299 PolarHBondContact O-N 3.1Å; K296-L299 WeakPolarHBondContact O-CB 3.33Å; K296-L299 PolarHBondContact O-N 3Å; F297-L299 VanDerWaalsContact C-N 3.35Å; F297-L299 PolarHBondContact O-N 2.84Å; L299-M301 PolarHBondContact O-N 3.33Å; L299-A302 PolarHBondContact O-N 3.16Å; L299-R303 HydrophobicContact CD1-CG 4.21Å; L299-R303 WeakPolarHBondContact O-CB 3.17Å; L299-R303 WeakPolarHBondContact O-CG 3.45Å; L299-R303 PolarHBondContact O-N 3.18Å; L299-V443 HydrophobicContact CD1-CG1 4.06Å; L299-L446 HydrophobicContact CB-CB 4.16Å; L299-L446 HydrophobicContact CD1-CB 3.77Å; L299-E447 HydrophobicContact CD1-CG 3.75Å; L299-E447 HydrophobicContact CD2-CG 4.01Å
300D95.8Very high94.2Very high10 Ų1031.8 Ų31.85%0.05317%0.168CC..Hα-helixtrans-57.6-48.1177.5-79.6-22.4000111.2N249 K296 F297 R303 G304 T332 A333N249-D300 WeakPolarHBondContact CB-O 3.44Å; N249-D300 WeakPolarHBondContact ND2-CA 3.23Å; N249-D300 WeakPolarHBondContact ND2-CB 3.06Å; N249-D300 VanDerWaalsContact ND2-CG 3.26Å; N249-D300 PolarHBondContact ND2-OD1 2.94Å; K296-D300 IonicContact NZ-OD2 2.77Å; K296-D300 PolarHBondContact NZ-OD2 2.84Å; K296-D300 WeakPolarHBondContact O-CB 3.36Å; K296-D300 PolarHBondContact O-N 3.46Å; F297-D300 PolarHBondContact O-N 3.38Å; D300-R303 PolarHBondContact O-N 3.05Å; D300-G304 PolarHBondContact O-N 2.72Å; D300-T332 WeakPolarHBondContact OD2-CA 3.29Å; D300-A333 HydrophobicContact CB-CB 3.75Å; D300-A333 PolarHBondContact OD2-N 2.7Å; D300-A333 VanDerWaalsContact OD2-N 3.14Å
301M97.6Very high94.1Very high0 Ų028.8 Ų28.80%015%0.152CC..Hα-helixtrans-63.8-41.9175.9-68.3-176.4-62.100112.2L277 F297 A298 L299 G304 M305 V325 A333 F378 L381 L385L277-M301 HydrophobicContact CD2-CE 4.34Å; L277-M301 HydrophobicContact CD2-SD 4.08Å; F297-M301 WeakPolarHBondContact O-CE 3.46Å; F297-M301 VanDerWaalsContact O-CG 3.29Å; F297-M301 WeakPolarHBondContact O-CG 3.38Å; F297-M301 PolarHBondContact O-N 2.99Å; A298-M301 PolarHBondContact O-N 3.04Å; L299-M301 PolarHBondContact O-N 3.33Å; M301-G304 PolarHBondContact O-N 3.48Å; M301-M305 WeakPolarHBondContact O-CG 3.15Å; M301-M305 PolarHBondContact O-N 3.48Å; M301-V325 HydrophobicContact CG-CG1 3.96Å; M301-V325 HydrophobicContact CG-CG2 4.18Å; M301-V325 HydrophobicContact SD-CB 4.32Å; M301-V325 HydrophobicContact SD-CG1 3.91Å; M301-V325 HydrophobicContact SD-CG2 3.74Å; M301-A333 HydrophobicContact CG-CB 4.15Å; M301-F378 HydrophobicContact CB-CD2 4.35Å; M301-F378 HydrophobicContact CB-CE2 4.27Å; M301-F378 HydrophobicContact CE-CE2 4.47Å; M301-L381 HydrophobicContact CE-CB 4.18Å; M301-L381 HydrophobicContact CE-CD1 4.43Å; M301-L381 HydrophobicContact SD-CD1 3.76Å; M301-L385 HydrophobicContact CE-CD1 3.6Å
302A97.5Very high94Very high0 Ų030.6 Ų30.60%016%0.16CC..Hα-helixtrans-64.4-41.3179.200000112A298 L299 M305 A306 F378 F439 I442 V443 L446A298-A302 VanDerWaalsContact O-CB 3.3Å; A298-A302 WeakPolarHBondContact O-CB 3.07Å; A298-A302 PolarHBondContact O-N 3.08Å; L299-A302 PolarHBondContact O-N 3.16Å; A302-M305 PolarHBondContact O-N 3.39Å; A302-A306 VanDerWaalsContact O-CB 3.29Å; A302-A306 WeakPolarHBondContact O-CB 3.22Å; A302-A306 PolarHBondContact O-N 2.86Å; A302-F378 HydrophobicContact CB-CE2 4.04Å; A302-F378 HydrophobicContact CB-CZ 4.18Å; A302-F439 HydrophobicContact CB-CD1 4Å; A302-F439 HydrophobicContact CB-CE1 4.49Å; A302-I442 HydrophobicContact CB-CD1 4.18Å; A302-V443 HydrophobicContact CB-CG2 3.88Å; A302-L446 HydrophobicContact CB-CD1 3.58Å
303R95.6Very high93.9Very high80 Ų8032 Ų3230%0.30217%0.167SC..Hα-helixtrans-62.9-47.2174.1-75.1175.2171.1164.8-3111.5L299 D300 M305 A306 F307 V443 E447L299-R303 HydrophobicContact CD1-CG 4.21Å; L299-R303 WeakPolarHBondContact O-CB 3.17Å; L299-R303 WeakPolarHBondContact O-CG 3.45Å; L299-R303 PolarHBondContact O-N 3.18Å; D300-R303 PolarHBondContact O-N 3.05Å; R303-M305 PolarHBondContact O-N 3.5Å; R303-A306 PolarHBondContact O-N 3.21Å; R303-F307 PolarHBondContact O-N 2.86Å; R303-V443 HydrophobicContact CG-CG1 4.08Å; R303-V443 HydrophobicContact CG-CG2 4.13Å; R303-E447 IonicContact CZ-OE1 3.49Å; R303-E447 IonicContact NE-OE1 2.8Å; R303-E447 IonicContact NH2-OE1 3.92Å; R303-E447 PolarHBondContact NH2-OE1 2.98Å
304G95.6Very high93.9Very high0 Ų033 Ų330%017%0.173CC..Hα-helixtrans-56.2-48.9175.100000112.3D300 M301 F307 L308D300-G304 PolarHBondContact O-N 2.72Å; M301-G304 PolarHBondContact O-N 3.48Å; G304-F307 PolarHBondContact O-N 3.44Å; G304-L308 VanDerWaalsContact O-CG 3.31Å; G304-L308 WeakPolarHBondContact O-CG 3.44Å; G304-L308 PolarHBondContact O-N 3.28Å
305M97.1Very high93.8Very high1 Ų133.4 Ų33.41%0.00517%0.174CC..Hα-helixtrans-68.5-37.7178.6-74.3-55.4-50.800113.5M301 A302 R303 F307 L308 H309 H318 L320 I335 D374 F439M301-M305 WeakPolarHBondContact O-CG 3.15Å; M301-M305 PolarHBondContact O-N 3.48Å; A302-M305 PolarHBondContact O-N 3.39Å; R303-M305 PolarHBondContact O-N 3.5Å; M305-F307 VanDerWaalsContact C-N 3.27Å; M305-F307 PolarHBondContact O-N 2.96Å; M305-L308 PolarHBondContact O-N 2.96Å; M305-L308 HydrophobicContact SD-CD1 4.07Å; M305-H309 WeakPolarHBondContact CE-NE2 3.41Å; M305-H309 WeakPolarHBondContact O-CB 3.47Å; M305-H309 PolarHBondContact O-N 3.42Å; M305-H318 PolarHBondContact SD-CE1 3.39Å; M305-L320 HydrophobicContact CG-CD2 3.84Å; M305-L320 HydrophobicContact SD-CD1 4.29Å; M305-L320 HydrophobicContact SD-CD2 4.1Å; M305-I335 HydrophobicContact CB-CD1 4.46Å; M305-I335 HydrophobicContact CG-CD1 3.63Å; M305-I335 HydrophobicContact SD-CD1 3.65Å; M305-D374 HydrophobicContact CE-CB 3.69Å; M305-D374 WeakPolarHBondContact CE-OD2 3.17Å; M305-F439 HydrophobicContact CB-CD1 3.75Å; M305-F439 HydrophobicContact CB-CD2 3.62Å; M305-F439 HydrophobicContact CB-CE1 3.63Å; M305-F439 HydrophobicContact CB-CE2 3.51Å; M305-F439 HydrophobicContact CB-CG 3.75Å; M305-F439 HydrophobicContact CB-CZ 3.51Å; M305-F439 HydrophobicContact CE-CE2 4.15Å; M305-F439 HydrophobicContact CG-CE1 4.03Å; M305-F439 HydrophobicContact CG-CE2 4.04Å; M305-F439 HydrophobicContact CG-CZ 3.71Å
306A95.7Very high93.5Very high23 Ų2335 Ų3519%0.1919%0.185CC..Hα-helixtrans-55.1-47.7173.900000110.4A302 R303 H309 T310 F439A302-A306 VanDerWaalsContact O-CB 3.29Å; A302-A306 WeakPolarHBondContact O-CB 3.22Å; A302-A306 PolarHBondContact O-N 2.86Å; R303-A306 PolarHBondContact O-N 3.21Å; A306-H309 PolarHBondContact O-N 2.85Å; A306-T310 WeakPolarHBondContact O-CG2 3.49Å; A306-T310 PolarHBondContact O-N 3.27Å; A306-F439 HydrophobicContact CB-CB 3.69Å
307F93.4Very high93.3Very high41 Ų4137.4 Ų37.418%0.1819%0.193CC..Hα-helixtrans-65.4-46.9175.9169.6-99000112.5T23 I244 S246 H247 V250 R303 G304 M305 H309 T310 L311T23-F307 HydrophobicContact CG2-CZ 4.06Å; I244-F307 HydrophobicContact CG2-CE1 3.58Å; I244-F307 HydrophobicContact CG2-CZ 3.93Å; S246-F307 VanDerWaalsContact OG-CZ 3.27Å; S246-F307 WeakPolarHBondContact OG-CZ 3.37Å; H247-F307 HydrophobicContact CB-CD1 3.53Å; H247-F307 HydrophobicContact CB-CD2 4.39Å; H247-F307 HydrophobicContact CB-CE1 3.57Å; H247-F307 HydrophobicContact CB-CE2 4.43Å; H247-F307 HydrophobicContact CB-CG 3.96Å; H247-F307 HydrophobicContact CB-CZ 4.05Å; H247-F307 WeakPolarHBondContact CD2-CB 3.2Å; H247-F307 AromaticContact CD2-CD1 3.78Å; H247-F307 AromaticContact CD2-CD2 3.77Å; H247-F307 AromaticContact CD2-CG 3.33Å; H247-F307 WeakPolarHBondContact CD2-CG 3.46Å; H247-F307 AromaticContact CG-CD1 3.61Å; H247-F307 AromaticContact CG-CG 3.69Å; V250-F307 HydrophobicContact CG2-CD1 3.97Å; V250-F307 HydrophobicContact CG2-CE1 4.3Å; R303-F307 PolarHBondContact O-N 2.86Å; G304-F307 PolarHBondContact O-N 3.44Å; M305-F307 VanDerWaalsContact C-N 3.27Å; M305-F307 PolarHBondContact O-N 2.96Å; F307-H309 PolarHBondContact O-N 3.12Å; F307-H309 VanDerWaalsContact O-N 3.13Å; F307-T310 PolarHBondContact O-N 2.71Å; F307-T310 PolarHBondContact O-OG1 3.01Å; F307-L311 HydrophobicContact CE1-CD2 4.46Å; F307-L311 HydrophobicContact CZ-CD2 4.11Å
308L94.2Very high93Very high7 Ų737.8 Ų37.84%0.03719%0.194CC..Hα-helixtrans-60-28.4177.7-68.3178.3000112.7I244 V250 G304 M305 T310 L311 I315 I335 M337I244-L308 HydrophobicContact CD1-CD2 4.11Å; V250-L308 HydrophobicContact CG1-CD2 4.46Å; V250-L308 HydrophobicContact CG2-CD1 4.47Å; V250-L308 HydrophobicContact CG2-CD2 3.94Å; V250-L308 HydrophobicContact CG2-CG 4.09Å; G304-L308 VanDerWaalsContact O-CG 3.31Å; G304-L308 WeakPolarHBondContact O-CG 3.44Å; G304-L308 PolarHBondContact O-N 3.28Å; M305-L308 PolarHBondContact O-N 2.96Å; M305-L308 HydrophobicContact SD-CD1 4.07Å; L308-T310 VanDerWaalsContact C-N 3.33Å; L308-L311 HydrophobicContact CD2-CD1 3.84Å; L308-L311 PolarHBondContact O-N 3.48Å; L308-I315 HydrophobicContact CD2-CD1 3.72Å; L308-I335 HydrophobicContact CD1-CD1 4.18Å; L308-I335 HydrophobicContact CD1-CG2 4.14Å; L308-M337 HydrophobicContact CD1-CE 3.76Å; L308-M337 HydrophobicContact CD2-CE 4.33Å; L308-M337 HydrophobicContact CD2-SD 4.16Å
309H94.8Very high92.8Very high20 Ų2039.7 Ų39.79%0.09321%0.21CC..THydrogen-bonded Turntrans-77.9-12.3176.8-77.6-167.1000114.5M305 A306 F307 R371 D374 F439M305-H309 WeakPolarHBondContact CE-NE2 3.41Å; M305-H309 WeakPolarHBondContact O-CB 3.47Å; M305-H309 PolarHBondContact O-N 3.42Å; A306-H309 PolarHBondContact O-N 2.85Å; F307-H309 PolarHBondContact O-N 3.12Å; F307-H309 VanDerWaalsContact O-N 3.13Å; H309-R371 VanDerWaalsContact CE1-CA 3.41Å; H309-R371 WeakPolarHBondContact CE1-CA 3.29Å; H309-R371 PolarHBondContact O-NE 3.28Å; H309-R371 PolarHBondContact O-NH2 2.9Å; H309-D374 IonicContact CD2-OD2 3.39Å; H309-D374 IonicContact CE1-OD2 3.66Å; H309-D374 IonicContact NE2-OD2 2.85Å; H309-D374 PolarHBondContact NE2-OD2 2.86Å; H309-F439 AromaticContact CE1-CD2 3.56Å; H309-F439 AromaticContact CE1-CE2 3.54Å; H309-F439 AromaticContact ND1-CD2 3.6Å
310T91.3Very high92.8Very high97 Ų9739.7 Ų39.760%0.59521%0.21SC*.THydrogen-bonded Turntrans-84.8-15.8171.172.90000112.9A306 F307 L308A306-T310 WeakPolarHBondContact O-CG2 3.49Å; A306-T310 PolarHBondContact O-N 3.27Å; F307-T310 PolarHBondContact O-N 2.71Å; F307-T310 PolarHBondContact O-OG1 3.01Å; L308-T310 VanDerWaalsContact C-N 3.33Å
311L89.2Confident92.8Very high28 Ų2840.1 Ų40.115%0.14721%0.212CC..SBendtrans-68.6131.9179.7-57.8179.5000111.2T23 I244 F307 L308 P313 L314 I315T23-L311 HydrophobicContact CG2-CD2 3.79Å; I244-L311 HydrophobicContact CD1-CD1 3.75Å; F307-L311 HydrophobicContact CE1-CD2 4.46Å; F307-L311 HydrophobicContact CZ-CD2 4.11Å; L308-L311 HydrophobicContact CD2-CD1 3.84Å; L308-L311 PolarHBondContact O-N 3.48Å; L311-P313 CarbonylContact O-C 3.42Å; L311-L314 PolarHBondContact O-N 3.35Å; L311-I315 HydrophobicContact CD1-CD1 3.97Å; L311-I315 HydrophobicContact CD1-CG1 4.07Å
312E85.5Confident92.8Very high177 Ų17740.1 Ų40.183%0.82721%0.212SC*.SBendtrans-122.2119.4174.9-66.9-168.2171.800110.5
313P87.7Confident92.7Very high95 Ų9545.3 Ų45.362%0.61723%0.232SC*.SBendcis-72.2152.8-7.126.8-28.1000112.5R241 L311R241-P313 PolarHBondContact NH2-O 2.92Å; L311-P313 CarbonylContact O-C 3.42Å
314L91.5Very high92.7Very high49 Ų4941.7 Ų41.726%0.25722%0.219SC..  trans-52151.6173.7-70175.7000111.5R241 L311 P316 R371R241-L314 PolarHBondContact NH2-O 2.66Å; L311-L314 PolarHBondContact O-N 3.35Å; L314-P316 VanDerWaalsContact O-CD 3.27Å; L314-P316 WeakPolarHBondContact O-CD 3.5Å; L314-R371 HydrophobicContact CD1-CG 4.37Å
315I91.1Very high92.8Very high18 Ų1841.7 Ų41.79%0.09222%0.219CC..  trans-69.1115176.1-56.9-177.2000109.1L242 I244 L308 L311 H318 M337 V340L242-I315 HydrophobicContact CD2-CG2 4.05Å; I244-I315 HydrophobicContact CD1-CD1 3.51Å; L308-I315 HydrophobicContact CD2-CD1 3.72Å; L311-I315 HydrophobicContact CD1-CD1 3.97Å; L311-I315 HydrophobicContact CD1-CG1 4.07Å; I315-H318 HydrophobicContact CG2-CB 4.34Å; I315-M337 HydrophobicContact CD1-SD 3.62Å; I315-V340 HydrophobicContact CG2-CG1 3.81Å; I315-V340 HydrophobicContact CG2-CG2 4.02Å
316P86.5Confident92.7Very high46 Ų4643.1 Ų43.130%0.29923%0.226SC..THydrogen-bonded Turntrans-68.8152.2179.630.7-34.9000110.2L314 H318 V340L314-P316 VanDerWaalsContact O-CD 3.27Å; L314-P316 WeakPolarHBondContact O-CD 3.5Å; P316-H318 PolarHBondContact O-N 2.97Å; P316-V340 WeakPolarHBondContact O-CG1 3.39Å
317R89.5Confident92.7Very high92 Ų9242 Ų4235%0.34722%0.217SC..THydrogen-bonded Turntrans55.418.7171.6-58.9169.2-68.9-88.63.8116.5E238 K341 S343 R370E238-R317 IonicContact OE1-NH2 3.88Å; E238-R317 PolarHBondContact OE1-NH2 2.73Å; E238-R317 VanDerWaalsContact OE1-NH2 3.09Å; E238-R317 IonicContact OE2-CZ 3.57Å; E238-R317 IonicContact OE2-NH2 2.66Å; E238-R317 PolarHBondContact OE2-NH2 3.14Å; R317-K341 HydrophobicContact CB-CB 4.22Å; R317-K341 WeakPolarHBondContact CB-O 3.49Å; R317-K341 WeakPolarHBondContact CD-O 3.41Å; R317-K341 PolarHBondContact NE-O 2.88Å; R317-S343 VanDerWaalsContact CZ-CA 3.47Å; R317-R370 VanDerWaalsContact CA-NH2 3.25Å
318H91.3Very high92.5Very high8 Ų840.4 Ų40.44%0.03721%0.21CC..  trans-66.5134.3164.4176.9-102.3000110.3M305 I315 P316 I335 V340 R370M305-H318 PolarHBondContact SD-CE1 3.39Å; I315-H318 HydrophobicContact CG2-CB 4.34Å; P316-H318 PolarHBondContact O-N 2.97Å; H318-I335 WeakPolarHBondContact NE2-CG2 3.44Å; H318-V340 HydrophobicContact CB-CG2 4.23Å; H318-R370 PolarHBondContact O-NH1 3.05Å; H318-R370 PolarHBondContact O-NH2 3.23Å
319A91.9Very high92Very high40 Ų4043.4 Ų43.433%0.33122%0.224SC..  trans-135.4105.9178.400000108.9N321 S324A319-N321 PolarHBondContact O-N 3.2Å; A319-N321 PolarHBondContact O-ND2 2.97Å; A319-S324 PolarHBondContact O-OG 3.29Å
320L96.1Very high91.4Very high2 Ų245.7 Ų45.71%0.0124%0.237CC..  trans-74.4124-176.9-173.567.2000110.3M305 V325 I335 S377 F378 L381M305-L320 HydrophobicContact CG-CD2 3.84Å; M305-L320 HydrophobicContact SD-CD1 4.29Å; M305-L320 HydrophobicContact SD-CD2 4.1Å; L320-V325 HydrophobicContact CD1-CG2 3.88Å; L320-I335 HydrophobicContact CD1-CD1 4.3Å; L320-I335 HydrophobicContact CD1-CG1 4.29Å; L320-I335 HydrophobicContact CD1-CG2 4.33Å; L320-S377 WeakPolarHBondContact O-CB 3.42Å; L320-F378 HydrophobicContact CD2-CB 4.11Å; L320-L381 HydrophobicContact CD1-CD1 4.06Å; L320-L381 HydrophobicContact CD2-CD1 3.9Å; L320-L381 HydrophobicContact CG-CD1 3.57Å
321N96.6Very high91.3Very high18 Ų1842.2 Ų42.210%0.09621%0.214CC..SBendtrans-159.9174.9174.559.375000109.7A319 R323 S324 A352 W355A319-N321 PolarHBondContact O-N 3.2Å; A319-N321 PolarHBondContact O-ND2 2.97Å; N321-R323 PolarHBondContact O-N 2.81Å; N321-R323 WeakPolarHBondContact OD1-CA 3.33Å; N321-R323 WeakPolarHBondContact OD1-CB 3.22Å; N321-R323 PolarHBondContact OD1-N 3.4Å; N321-S324 PolarHBondContact N-OG 3.07Å; N321-S324 PolarHBondContact O-N 3.31Å; N321-S324 VanDerWaalsContact O-N 3.08Å; N321-S324 PolarHBondContact O-OG 2.87Å; N321-S324 PolarHBondContact OD1-N 3.3Å; N321-S324 VanDerWaalsContact OD1-N 3.16Å; N321-A352 HydrophobicContact CB-CB 4.45Å; N321-W355 HydrophobicContact CB-CB 4.02Å; N321-W355 HydrophobicContact CB-CD2 3.68Å; N321-W355 HydrophobicContact CB-CE3 4.03Å; N321-W355 HydrophobicContact CB-CG 3.66Å
322S96.8Very high91.4Very high0 Ų042.1 Ų42.10%022%0.215CC..THydrogen-bonded Turntrans-68.4-17.7-174.350.30000114.1L277 Y278 W355 L381 E384L277-S322 WeakPolarHBondContact CB-O 3.47Å; L277-S322 PolarHBondContact N-O 2.92Å; Y278-S322 WeakPolarHBondContact CD2-OG 3.43Å; Y278-S322 PolarHBondContact N-O 3.02Å; S322-W355 WeakPolarHBondContact OG-CZ2 3.26Å; S322-L381 VanDerWaalsContact N-CD2 3.31Å; S322-E384 VanDerWaalsContact CB-OE1 3.22Å; S322-E384 WeakPolarHBondContact CB-OE1 3.43Å; S322-E384 VanDerWaalsContact CB-OE2 3.26Å; S322-E384 WeakPolarHBondContact CB-OE2 3.37Å; S322-E384 VanDerWaalsContact OG-CD 3.29Å; S322-E384 PolarHBondContact OG-OE1 3.32Å; S322-E384 PolarHBondContact OG-OE2 3.45Å; S322-E384 VanDerWaalsContact OG-OE2 3.12Å
323R95.2Very high91.9Very high109 Ų10933.7 Ų33.741%0.41118%0.176SC..THydrogen-bonded Turntrans-84.1-22.2173.8-63.8175.5172.778.5-1.4113.1Y278 N321Y278-R323 HydrophobicContact CD2-CG 4.29Å; Y278-R323 VanDerWaalsContact CE2-CZ 3.47Å; Y278-R323 HydrophobicContact CG-CG 3.96Å; Y278-R323 PolarHBondContact OH-NH2 2.83Å; N321-R323 PolarHBondContact O-N 2.81Å; N321-R323 WeakPolarHBondContact OD1-CA 3.33Å; N321-R323 WeakPolarHBondContact OD1-CB 3.22Å; N321-R323 PolarHBondContact OD1-N 3.4Å
324S95.7Very high92.3Very high5 Ų529.8 Ų29.84%0.03515%0.149CC..SBendtrans-91.1317974.20000113.5A319 N321 S336A319-S324 PolarHBondContact O-OG 3.29Å; N321-S324 PolarHBondContact N-OG 3.07Å; N321-S324 PolarHBondContact O-N 3.31Å; N321-S324 VanDerWaalsContact O-N 3.08Å; N321-S324 PolarHBondContact O-OG 2.87Å; N321-S324 PolarHBondContact OD1-N 3.3Å; N321-S324 VanDerWaalsContact OD1-N 3.16Å; S324-S336 WeakPolarHBondContact O-CB 3.34Å; S324-S336 PolarHBondContact O-N 3.4Å
325V97.6Very high92.5Very high0 Ų027.5 Ų27.50%014%0.136CC..EExtended strand (participates in β ladder)trans-114119.5178.6176.50000107.4S276 L277 M301 L320 I327 A333 R334 L381S276-V325 CarbonylContact C-O 3.56Å; S276-V325 WeakPolarHBondContact CA-O 3.31Å; S276-V325 WeakPolarHBondContact CB-O 3.38Å; L277-V325 HydrophobicContact CB-CB 4.13Å; L277-V325 HydrophobicContact CB-CG1 4.2Å; L277-V325 PolarHBondContact N-O 2.77Å; M301-V325 HydrophobicContact CG-CG1 3.96Å; M301-V325 HydrophobicContact CG-CG2 4.18Å; M301-V325 HydrophobicContact SD-CB 4.32Å; M301-V325 HydrophobicContact SD-CG1 3.91Å; M301-V325 HydrophobicContact SD-CG2 3.74Å; L320-V325 HydrophobicContact CD1-CG2 3.88Å; V325-I327 HydrophobicContact CG1-CD1 4.4Å; V325-A333 HydrophobicContact CG1-CB 3.76Å; V325-R334 CarbonylContact C-O 3.35Å; V325-R334 WeakPolarHBondContact CA-O 3.28Å; V325-L381 HydrophobicContact CG2-CD1 4.48Å
326M96.1Very high92.8Very high31 Ų3126.8 Ų26.815%0.15313%0.133CC..EExtended strand (participates in β ladder)trans-103145.9-178.4-53.4-56.6-6800111.2L251 M272 G275 R334L251-M326 HydrophobicContact CD2-CB 3.91Å; L251-M326 HydrophobicContact CD2-CG 3.61Å; M272-M326 HydrophobicContact CB-CB 4.1Å; M272-M326 HydrophobicContact CB-CE 3.9Å; M272-M326 HydrophobicContact CG-CB 3.66Å; M272-M326 HydrophobicContact CG-CE 4.25Å; M272-M326 HydrophobicContact CG-CG 4.28Å; M272-M326 HydrophobicContact SD-CB 4.24Å; G275-M326 WeakPolarHBondContact O-CA 3.26Å; M326-R334 PolarHBondContact N-O 2.92Å; M326-R334 PolarHBondContact O-N 3.27Å
327I94.4Very high93.2Very high0 Ų024.6 Ų24.60%012%0.119CC..EExtended strand (participates in β ladder)trans-108.7120.1179.7-52.3-51.7000109.2Y274 G275 L277 V280 F297 V325 M331 A333Y274-I327 HydrophobicContact CD2-CG2 4.08Å; Y274-I327 HydrophobicContact CG-CG2 4.4Å; G275-I327 PolarHBondContact O-N 2.99Å; L277-I327 HydrophobicContact CB-CD1 4.45Å; L277-I327 HydrophobicContact CD1-CD1 4.42Å; V280-I327 HydrophobicContact CG2-CB 4.28Å; V280-I327 HydrophobicContact CG2-CG1 3.9Å; F297-I327 HydrophobicContact CD1-CD1 4.06Å; F297-I327 HydrophobicContact CE1-CD1 3.7Å; F297-I327 HydrophobicContact CE1-CG1 4.38Å; F297-I327 HydrophobicContact CE1-CG2 4.03Å; F297-I327 HydrophobicContact CZ-CD1 4.01Å; F297-I327 HydrophobicContact CZ-CG1 4.29Å; F297-I327 HydrophobicContact CZ-CG2 4.03Å; V325-I327 HydrophobicContact CG1-CD1 4.4Å; I327-M331 HydrophobicContact CG2-SD 4.27Å; I327-A333 HydrophobicContact CD1-CB 3.74Å
328D89.4Confident93.4Very high7 Ų720.4 Ų20.44%0.03710%0.104CC..  trans-83.6177.117769.417.3000112.8M272 Y274 D330 M331 T332 R334M272-D328 HydrophobicContact SD-CB 3.77Å; Y274-D328 VanDerWaalsContact CD2-O 3.25Å; Y274-D328 WeakPolarHBondContact CD2-O 3.44Å; Y274-D328 WeakPolarHBondContact CE2-O 3.33Å; D328-D330 PolarHBondContact O-N 2.63Å; D328-D330 PolarHBondContact OD1-N 2.93Å; D328-D330 VanDerWaalsContact OD1-N 3.12Å; D328-M331 PolarHBondContact O-N 2.77Å; D328-M331 VanDerWaalsContact O-N 3.11Å; D328-M331 PolarHBondContact OD1-N 3.13Å; D328-T332 PolarHBondContact N-O 3.31Å; D328-T332 VanDerWaalsContact N-O 3.16Å; D328-T332 WeakPolarHBondContact OD1-CA 3.28Å; D328-T332 VanDerWaalsContact OD1-CB 3.26Å; D328-T332 WeakPolarHBondContact OD1-CB 3.31Å; D328-T332 PolarHBondContact OD1-N 2.9Å; D328-R334 IonicContact OD2-CZ 2.81Å; D328-R334 IonicContact OD2-NE 3.96Å; D328-R334 PolarHBondContact OD2-NE 3.09Å; D328-R334 IonicContact OD2-NH2 2.72Å
329E84.1Confident93.5Very high69 Ų6923 Ų2332%0.32212%0.118SC..THydrogen-bonded Turntrans-62.6-25.4-178.667-162.9160.200114P177 P273 M331P177-E329 WeakPolarHBondContact CB-OE1 3.46Å; P177-E329 WeakPolarHBondContact CG-OE1 3.4Å; P273-E329 HydrophobicContact CG-CB 4.04Å; E329-M331 PolarHBondContact O-N 3.39Å
330D82.6Confident93.6Very high68 Ų6821.4 Ų21.436%0.36411%0.105SC..THydrogen-bonded Turntrans-87.112.5178-62.8-41.8000112.1D328 T332D328-D330 PolarHBondContact O-N 2.63Å; D328-D330 PolarHBondContact OD1-N 2.93Å; D328-D330 VanDerWaalsContact OD1-N 3.12Å; D330-T332 PolarHBondContact O-N 2.8Å
331M88.5Confident93.4Very high24 Ų2423.9 Ų23.912%0.11812%0.115CC..SBendtrans57.136.7-176.7-56.4-59-7700112.7Y274 F287 Q293 K296 F297 I327 D328 E329Y274-M331 HydrophobicContact CD2-SD 3.92Å; Y274-M331 HydrophobicContact CE1-SD 4.39Å; Y274-M331 HydrophobicContact CE2-SD 3.45Å; Y274-M331 WeakPolarHBondContact CE2-SD 3.27Å; F287-M331 HydrophobicContact CB-CE 4.27Å; F287-M331 HydrophobicContact CD1-CE 3.16Å; F287-M331 HydrophobicContact CD2-CE 3.54Å; F287-M331 HydrophobicContact CE1-CE 3.14Å; F287-M331 HydrophobicContact CE2-CE 3.56Å; F287-M331 HydrophobicContact CG-CE 3.34Å; F287-M331 HydrophobicContact CZ-CE 3.37Å; Q293-M331 PolarHBondContact NE2-O 3.12Å; K296-M331 PolarHBondContact NZ-O 2.99Å; F297-M331 VanDerWaalsContact CE1-O 3.24Å; F297-M331 WeakPolarHBondContact CE1-O 3.06Å; F297-M331 HydrophobicContact CZ-CE 4.19Å; I327-M331 HydrophobicContact CG2-SD 4.27Å; D328-M331 PolarHBondContact O-N 2.77Å; D328-M331 VanDerWaalsContact O-N 3.11Å; D328-M331 PolarHBondContact OD1-N 3.13Å; E329-M331 PolarHBondContact O-N 3.39Å
332T91.1Very high93.2Very high26 Ų2623.1 Ų23.116%0.1611%0.111CC..  trans-102.2130.2177.4-60.60000110.3N249 K296 D300 D328 D330N249-T332 WeakPolarHBondContact ND2-CG2 3.46Å; K296-T332 PolarHBondContact NZ-OG1 2.87Å; D300-T332 WeakPolarHBondContact OD2-CA 3.29Å; D328-T332 PolarHBondContact N-O 3.31Å; D328-T332 VanDerWaalsContact N-O 3.16Å; D328-T332 WeakPolarHBondContact OD1-CA 3.28Å; D328-T332 VanDerWaalsContact OD1-CB 3.26Å; D328-T332 WeakPolarHBondContact OD1-CB 3.31Å; D328-T332 PolarHBondContact OD1-N 2.9Å; D330-T332 PolarHBondContact O-N 2.8Å
333A95.5Very high92.9Very high0 Ų025.3 Ų25.30%013%0.126CC..EExtended strand (participates in β ladder)trans-80.4131.7176.100000110.4N249 F297 D300 M301 V325 I327N249-A333 PolarHBondContact ND2-O 2.96Å; N249-A333 VanDerWaalsContact ND2-O 3.1Å; F297-A333 HydrophobicContact CB-CB 4.38Å; F297-A333 HydrophobicContact CD1-CB 3.87Å; F297-A333 HydrophobicContact CG-CB 4.45Å; D300-A333 HydrophobicContact CB-CB 3.75Å; D300-A333 PolarHBondContact OD2-N 2.7Å; D300-A333 VanDerWaalsContact OD2-N 3.14Å; M301-A333 HydrophobicContact CG-CB 4.15Å; V325-A333 HydrophobicContact CG1-CB 3.76Å; I327-A333 HydrophobicContact CD1-CB 3.74Å
334R96.2Very high92.6Very high14 Ų1421.3 Ų21.35%0.05311%0.112CC..EExtended strand (participates in β ladder)trans-130.9127.1-177.5-58.5179.5160.6-118.9-9.6111P248 N249 L251 V325 M326 D328 S336P248-R334 WeakPolarHBondContact O-CG 3.47Å; P248-R334 PolarHBondContact O-NE 2.98Å; P248-R334 PolarHBondContact O-NH2 3.13Å; N249-R334 CarbonylContact O-C 3.38Å; N249-R334 WeakPolarHBondContact O-CA 3.48Å; L251-R334 HydrophobicContact CB-CB 3.84Å; V325-R334 CarbonylContact C-O 3.35Å; V325-R334 WeakPolarHBondContact CA-O 3.28Å; M326-R334 PolarHBondContact N-O 2.92Å; M326-R334 PolarHBondContact O-N 3.27Å; D328-R334 IonicContact OD2-CZ 2.81Å; D328-R334 IonicContact OD2-NE 3.96Å; D328-R334 PolarHBondContact OD2-NE 3.09Å; D328-R334 IonicContact OD2-NH2 2.72Å; R334-S336 PolarHBondContact O-N 3.37Å
335I97.3Very high92.2Very high0 Ų022.7 Ų22.70%012%0.118CC..EExtended strand (participates in β ladder)trans-77.7118.1179.5-56.1172000109.1N249 L251 M305 L308 H318 L320 M337N249-I335 PolarHBondContact O-N 3.06Å; L251-I335 PolarHBondContact N-O 3.43Å; M305-I335 HydrophobicContact CB-CD1 4.46Å; M305-I335 HydrophobicContact CG-CD1 3.63Å; M305-I335 HydrophobicContact SD-CD1 3.65Å; L308-I335 HydrophobicContact CD1-CD1 4.18Å; L308-I335 HydrophobicContact CD1-CG2 4.14Å; H318-I335 WeakPolarHBondContact NE2-CG2 3.44Å; L320-I335 HydrophobicContact CD1-CD1 4.3Å; L320-I335 HydrophobicContact CD1-CG1 4.29Å; L320-I335 HydrophobicContact CD1-CG2 4.33Å; I335-M337 HydrophobicContact CB-CE 4.23Å; I335-M337 HydrophobicContact CG2-CE 3.64Å; I335-M337 WeakPolarHBondContact O-CE 3.36Å; I335-M337 PolarHBondContact O-N 2.84Å
336S97Very high91.3Very high4 Ų424.3 Ų24.33%0.02813%0.129CC..EExtended strand (participates in β ladder)trans-74.2113.2-175.2176.60000112.4S324 R334 A338 D339S324-S336 WeakPolarHBondContact O-CB 3.34Å; S324-S336 PolarHBondContact O-N 3.4Å; R334-S336 PolarHBondContact O-N 3.37Å; S336-A338 PolarHBondContact O-N 2.91Å; S336-A338 PolarHBondContact OG-N 3.49Å; S336-D339 WeakPolarHBondContact CB-OD2 3.31Å; S336-D339 PolarHBondContact O-N 3.38Å; S336-D339 PolarHBondContact OG-OD2 3.32Å
337M95.1Very high90.4Very high0 Ų027.9 Ų27.90%015%0.154CC..G310 helixtrans-72.4-19.6171.9-61.6-60.596.500112L242 I244 V250 L251 V253 L308 I315 I335 D339 V340L242-M337 HydrophobicContact CB-CB 4.07Å; L242-M337 WeakPolarHBondContact O-CB 3.48Å; I244-M337 HydrophobicContact CD1-CG 4.47Å; I244-M337 HydrophobicContact CD1-SD 4.06Å; V250-M337 HydrophobicContact CG1-CE 4.07Å; V250-M337 HydrophobicContact CG1-CG 3.53Å; V250-M337 HydrophobicContact CG1-SD 3.97Å; L251-M337 WeakPolarHBondContact O-CB 3.46Å; L251-M337 WeakPolarHBondContact O-CG 3.38Å; L251-M337 PolarHBondContact O-N 3.47Å; V253-M337 HydrophobicContact CG2-CB 4.28Å; L308-M337 HydrophobicContact CD1-CE 3.76Å; L308-M337 HydrophobicContact CD2-CE 4.33Å; L308-M337 HydrophobicContact CD2-SD 4.16Å; I315-M337 HydrophobicContact CD1-SD 3.62Å; I335-M337 HydrophobicContact CB-CE 4.23Å; I335-M337 HydrophobicContact CG2-CE 3.64Å; I335-M337 WeakPolarHBondContact O-CE 3.36Å; I335-M337 PolarHBondContact O-N 2.84Å; M337-D339 PolarHBondContact O-N 3.45Å; M337-V340 WeakPolarHBondContact O-CB 3.29Å; M337-V340 PolarHBondContact O-N 3.46Å; M337-V340 HydrophobicContact SD-CG2 4.42Å
338A93.7Very high89.6Confident4 Ų432.3 Ų32.33%0.03320%0.2CC..G310 helixtrans-70.8-12.8174.700000113.4K220 V253 L267 T269 S336K220-A338 PolarHBondContact NZ-O 2.71Å; V253-A338 HydrophobicContact CG2-CB 4.2Å; L267-A338 HydrophobicContact CD1-CB 4.39Å; T269-A338 HydrophobicContact CG2-CB 4.09Å; S336-A338 PolarHBondContact O-N 2.91Å; S336-A338 PolarHBondContact OG-N 3.49Å
339D93.2Very high89.3Confident62 Ų6239.4 Ų39.433%0.33223%0.226SC..G310 helixtrans-97.6-1.1176.7-64.1-49.9000114.1K220 S336 M337 K341K220-D339 IonicContact NZ-OD1 2.89Å; K220-D339 PolarHBondContact NZ-OD1 3.14Å; S336-D339 WeakPolarHBondContact CB-OD2 3.31Å; S336-D339 PolarHBondContact O-N 3.38Å; S336-D339 PolarHBondContact OG-OD2 3.32Å; M337-D339 PolarHBondContact O-N 3.45Å; D339-K341 PolarHBondContact O-N 2.88Å
340V93.7Very high89.3Confident7 Ų740.1 Ų40.14%0.04223%0.231CC..SBendtrans-66.8130.2167.2179.40000109.3L242 I315 P316 H318 M337L242-V340 HydrophobicContact CD1-CB 4.33Å; L242-V340 HydrophobicContact CD2-CB 3.87Å; L242-V340 HydrophobicContact CD2-CG1 3.93Å; L242-V340 HydrophobicContact CD2-CG2 4.01Å; I315-V340 HydrophobicContact CG2-CG1 3.81Å; I315-V340 HydrophobicContact CG2-CG2 4.02Å; P316-V340 WeakPolarHBondContact O-CG1 3.39Å; H318-V340 HydrophobicContact CB-CG2 4.23Å; M337-V340 WeakPolarHBondContact O-CB 3.29Å; M337-V340 PolarHBondContact O-N 3.46Å; M337-V340 HydrophobicContact SD-CG2 4.42Å
341K92.5Very high89.6Confident54 Ų5440.8 Ų40.824%0.23523%0.229CC..PPolyproline II helixtrans-81.3136.4178.4-68.2-177.3177.9177.70111.6R317 D339 Q345 R349R317-K341 HydrophobicContact CB-CB 4.22Å; R317-K341 WeakPolarHBondContact CB-O 3.49Å; R317-K341 WeakPolarHBondContact CD-O 3.41Å; R317-K341 PolarHBondContact NE-O 2.88Å; D339-K341 PolarHBondContact O-N 2.88Å; K341-Q345 VanDerWaalsContact CA-OE1 3.32Å; K341-Q345 HydrophobicContact CB-CB 4.37Å; K341-R349 PolarHBondContact NZ-O 3.01Å
342F91.9Very high89.8Confident1 Ų140.4 Ų40.40%0.00423%0.229CC..PPolyproline II helixtrans-72.8158.8169.6-65.4-85.5000112L222 F235 E238 C239 L242 L267 F344 Q345L222-F342 HydrophobicContact CD1-CD2 4.17Å; L222-F342 HydrophobicContact CD1-CE2 4.04Å; F235-F342 AromaticContact CD2-CD1 3.9Å; F235-F342 HydrophobicContact CD2-CD1 3.9Å; F235-F342 HydrophobicContact CD2-CD2 4.19Å; F235-F342 AromaticContact CD2-CE1 3.56Å; F235-F342 HydrophobicContact CD2-CE1 3.56Å; F235-F342 AromaticContact CD2-CE2 3.86Å; F235-F342 HydrophobicContact CD2-CE2 3.86Å; F235-F342 HydrophobicContact CD2-CG 4.2Å; F235-F342 AromaticContact CD2-CZ 3.56Å; F235-F342 HydrophobicContact CD2-CZ 3.56Å; F235-F342 HydrophobicContact CE2-CD2 4.35Å; F235-F342 AromaticContact CE2-CE1 3.89Å; F235-F342 HydrophobicContact CE2-CE1 3.89Å; F235-F342 AromaticContact CE2-CE2 3.64Å; F235-F342 HydrophobicContact CE2-CE2 3.64Å; F235-F342 AromaticContact CE2-CZ 3.39Å; F235-F342 HydrophobicContact CE2-CZ 3.39Å; E238-F342 HydrophobicContact CB-CD1 3.67Å; E238-F342 HydrophobicContact CB-CE1 3.82Å; E238-F342 HydrophobicContact CG-CD1 4.5Å; E238-F342 VanDerWaalsContact OE2-CA 3.28Å; E238-F342 WeakPolarHBondContact OE2-CA 3.38Å; E238-F342 WeakPolarHBondContact OE2-CD1 3.3Å; C239-F342 HydrophobicContact CB-CE1 4.09Å; C239-F342 HydrophobicContact CB-CZ 4.25Å; L242-F342 HydrophobicContact CD1-CE1 4.2Å; L242-F342 HydrophobicContact CD1-CZ 3.87Å; L267-F342 HydrophobicContact CD1-CE2 3.95Å; L267-F342 HydrophobicContact CD1-CZ 4.43Å; L267-F342 HydrophobicContact CD2-CE2 4.14Å; L267-F342 HydrophobicContact CD2-CZ 3.94Å; L267-F342 HydrophobicContact CG-CE2 4.38Å; F342-F344 HydrophobicContact CB-CD1 4.11Å; F342-F344 HydrophobicContact CB-CD2 4.4Å; F342-F344 HydrophobicContact CB-CE1 3.64Å; F342-F344 HydrophobicContact CB-CE2 3.95Å; F342-F344 HydrophobicContact CB-CG 4.48Å; F342-F344 HydrophobicContact CB-CZ 3.54Å; F342-F344 HydrophobicContact CD1-CE1 4.47Å; F342-F344 HydrophobicContact CD1-CZ 4.45Å; F342-F344 HydrophobicContact CD2-CZ 4.31Å; F342-F344 HydrophobicContact CG-CE1 4.16Å; F342-F344 AromaticContact CG-CZ 3.86Å; F342-F344 HydrophobicContact CG-CZ 3.86Å; F342-F344 PolarHBondContact O-N 3.23Å; F342-F344 VanDerWaalsContact O-N 3.13Å; F342-Q345 HydrophobicContact CB-CG 4.1Å; F342-Q345 WeakPolarHBondContact O-CB 3.3Å; F342-Q345 PolarHBondContact O-N 3.48Å
343S91Very high90Very high46 Ų4639.3 Ų39.332%0.32222%0.222SC..THydrogen-bonded Turntrans-53.5-33.4-179.249.10000114.7E238 R317E238-S343 WeakPolarHBondContact OE1-CB 3.47Å; E238-S343 PolarHBondContact OE1-N 2.9Å; E238-S343 PolarHBondContact OE1-OG 2.8Å; E238-S343 PolarHBondContact OE2-N 2.92Å; E238-S343 VanDerWaalsContact OE2-N 3.12Å; R317-S343 VanDerWaalsContact CZ-CA 3.47Å
344F88.9Confident90Very high26 Ų2639.5 Ų39.511%0.11422%0.224CC..THydrogen-bonded Turntrans-88.8-5.4179.954.5-100.6000114.3V224 W227 K231 D234 F235 F342V224-F344 HydrophobicContact CG1-CD2 3.89Å; V224-F344 HydrophobicContact CG1-CE2 4.26Å; V224-F344 HydrophobicContact CG2-CD2 4.14Å; V224-F344 HydrophobicContact CG2-CE2 3.77Å; W227-F344 HydrophobicContact CH2-CZ 4.3Å; W227-F344 HydrophobicContact CZ3-CE2 4.01Å; W227-F344 AromaticContact CZ3-CZ 3.93Å; W227-F344 HydrophobicContact CZ3-CZ 3.93Å; K231-F344 HydrophobicContact CB-CD1 4.08Å; K231-F344 HydrophobicContact CB-CG 4.23Å; K231-F344 HydrophobicContact CD-CB 4.16Å; K231-F344 HydrophobicContact CD-CG 4.42Å; K231-F344 HydrophobicContact CG-CB 3.85Å; K231-F344 HydrophobicContact CG-CD1 4.26Å; K231-F344 HydrophobicContact CG-CG 4.04Å; K231-F344 WeakPolarHBondContact O-CE1 3.31Å; D234-F344 HydrophobicContact CB-CD1 4.16Å; D234-F344 HydrophobicContact CB-CE1 4.37Å; F235-F344 HydrophobicContact CB-CE1 3.87Å; F235-F344 HydrophobicContact CB-CZ 4Å; F235-F344 HydrophobicContact CD2-CZ 4.07Å; F235-F344 HydrophobicContact CG-CZ 4.46Å; F342-F344 HydrophobicContact CB-CD1 4.11Å; F342-F344 HydrophobicContact CB-CD2 4.4Å; F342-F344 HydrophobicContact CB-CE1 3.64Å; F342-F344 HydrophobicContact CB-CE2 3.95Å; F342-F344 HydrophobicContact CB-CG 4.48Å; F342-F344 HydrophobicContact CB-CZ 3.54Å; F342-F344 HydrophobicContact CD1-CE1 4.47Å; F342-F344 HydrophobicContact CD1-CZ 4.45Å; F342-F344 HydrophobicContact CD2-CZ 4.31Å; F342-F344 HydrophobicContact CG-CE1 4.16Å; F342-F344 AromaticContact CG-CZ 3.86Å; F342-F344 HydrophobicContact CG-CZ 3.86Å; F342-F344 PolarHBondContact O-N 3.23Å; F342-F344 VanDerWaalsContact O-N 3.13Å
345Q85.6Confident90.1Very high34 Ų3439.2 Ų39.216%0.15922%0.223CC..SBendtrans-85.8120.5-176.1-75.5-176-14.600112.2L222 K341 F342L222-Q345 VanDerWaalsContact CD2-NE2 3.3Å; K341-Q345 VanDerWaalsContact CA-OE1 3.32Å; K341-Q345 HydrophobicContact CB-CB 4.37Å; F342-Q345 HydrophobicContact CB-CG 4.1Å; F342-Q345 WeakPolarHBondContact O-CB 3.3Å; F342-Q345 PolarHBondContact O-N 3.48Å
346C78.8Confident90Very high33 Ų3340 Ų4022%0.22323%0.227CC..SBendtrans43.854170.5-60.40000113.3G348 R349 Y351C346-G348 PolarHBondContact O-N 3.49Å; C346-R349 HydrophobicContact CB-CB 4.16Å; C346-R349 PolarHBondContact O-N 3.36Å; C346-Y351 HydrophobicContact CB-CE2 4.04Å
347P78Confident89.9Confident107 Ų10739.8 Ų39.870%0.69523%0.226SC*.THydrogen-bonded Turntrans-56.8131.4-175.824.9-34.2000110.4R349P347-R349 VanDerWaalsContact C-N 3.29Å; P347-R349 PolarHBondContact O-N 3.43Å
348G76.6Confident90Very high93 Ų9340 Ų4096%0.95923%0.228SC*.THydrogen-bonded Turntrans75.12.4-179.400000116.2C346C346-G348 PolarHBondContact O-N 3.49Å
349R83.2Confident90Very high155 Ų15540.6 Ų40.659%0.58523%0.23SC*.  trans-102.9128.2179.6-60.1-175.7178.9-169.8-5.1112.6K341 C346 P347 Y351K341-R349 PolarHBondContact NZ-O 3.01Å; C346-R349 HydrophobicContact CB-CB 4.16Å; C346-R349 PolarHBondContact O-N 3.36Å; P347-R349 VanDerWaalsContact C-N 3.29Å; P347-R349 PolarHBondContact O-N 3.43Å; R349-Y351 HydrophobicContact CB-CE2 4.24Å; R349-Y351 WeakPolarHBondContact CD-OH 3.39Å
350M85.5Confident90Very high85 Ų8538.9 Ų38.942%0.41922%0.224SC..  trans-108.2126172.8-168.663.775.200110.3P353 V356 L361M350-P353 HydrophobicContact CG-CB 4.06Å; M350-V356 HydrophobicContact CE-CG1 4.28Å; M350-V356 HydrophobicContact CE-CG2 3.97Å; M350-V356 HydrophobicContact CG-CG2 4.2Å; M350-V356 HydrophobicContact SD-CG2 3.8Å; M350-L361 HydrophobicContact CE-CD2 4.38Å; M350-L361 HydrophobicContact CG-CD2 4.34Å
351Y87.1Confident90Very high82 Ų8240.8 Ų40.832%0.32223%0.234SC..SBendtrans-104.3-14.6-177.9-67-70000113.8H203 C346 R349 P353 N397H203-Y351 AromaticContact CE1-CE1 3.65Å; H203-Y351 AromaticContact CE1-CZ 3.91Å; H203-Y351 AromaticContact NE2-CE1 3.47Å; H203-Y351 WeakPolarHBondContact NE2-CE1 3.25Å; H203-Y351 AromaticContact NE2-CZ 3.24Å; H203-Y351 PolarHBondContact NE2-OH 3.19Å; C346-Y351 HydrophobicContact CB-CE2 4.04Å; R349-Y351 HydrophobicContact CB-CE2 4.24Å; R349-Y351 WeakPolarHBondContact CD-OH 3.39Å; Y351-P353 VanDerWaalsContact C-CD 3.41Å; Y351-N397 PolarHBondContact O-ND2 3.19Å; Y351-N397 VanDerWaalsContact O-ND2 3.16Å
352A93Very high90Very high15 Ų1543.7 Ų43.712%0.12425%0.249CC..  trans-132.153.6-178.800000111N321 A354 W355 V356N321-A352 HydrophobicContact CB-CB 4.45Å; A352-A354 PolarHBondContact O-N 2.99Å; A352-A354 VanDerWaalsContact O-N 3.17Å; A352-W355 HydrophobicContact CB-CE3 3.78Å; A352-W355 HydrophobicContact CB-CZ3 4.06Å; A352-W355 PolarHBondContact O-N 3.19Å; A352-V356 WeakPolarHBondContact O-CG2 3.35Å
353P95.5Very high89.9Confident3 Ų349 Ų492%0.01927%0.272CS..G310 helixtrans-64.2-20.8-174.324.8-30000113.4M350 Y351 W355 V356 L361 N397 I400M350-P353 HydrophobicContact CG-CB 4.06Å; Y351-P353 VanDerWaalsContact C-CD 3.41Å; P353-W355 PolarHBondContact O-N 2.94Å; P353-V356 PolarHBondContact O-N 3.09Å; P353-L361 HydrophobicContact CB-CD2 4.39Å; P353-N397 HydrophobicContact CG-CB 4.1Å; P353-N397 WeakPolarHBondContact CG-O 3.4Å; P353-I400 HydrophobicContact CB-CG2 4.28Å; P353-I400 HydrophobicContact CG-CB 4.18Å; P353-I400 HydrophobicContact CG-CG2 4.12Å
354A96.7Very high89.8Confident4 Ų453.7 Ų53.73%0.03329%0.286CS..G310 helixtrans-58.7-29.217900000114.1A352 P391 F392 I400A352-A354 PolarHBondContact O-N 2.99Å; A352-A354 VanDerWaalsContact O-N 3.17Å; A354-P391 HydrophobicContact CB-CB 4.23Å; A354-F392 HydrophobicContact CB-CD2 4Å; A354-I400 HydrophobicContact CB-CD1 4.39Å; A354-I400 HydrophobicContact CB-CG2 3.96Å
355W97Very high89.6Confident8 Ų857.4 Ų57.43%0.0331%0.313CS..G310 helixtrans-95.4-3.8177.6-64.2-97.6000113N321 S322 A352 P353 S377 V380 E384 V390 P391N321-W355 HydrophobicContact CB-CB 4.02Å; N321-W355 HydrophobicContact CB-CD2 3.68Å; N321-W355 HydrophobicContact CB-CE3 4.03Å; N321-W355 HydrophobicContact CB-CG 3.66Å; S322-W355 WeakPolarHBondContact OG-CZ2 3.26Å; A352-W355 HydrophobicContact CB-CE3 3.78Å; A352-W355 HydrophobicContact CB-CZ3 4.06Å; A352-W355 PolarHBondContact O-N 3.19Å; P353-W355 PolarHBondContact O-N 2.94Å; W355-S377 WeakPolarHBondContact O-CA 3.42Å; W355-S377 VanDerWaalsContact O-CB 3.25Å; W355-S377 WeakPolarHBondContact O-CB 3.46Å; W355-S377 PolarHBondContact O-OG 3.34Å; W355-V380 HydrophobicContact CB-CG1 4.47Å; W355-V380 HydrophobicContact CG-CB 4.44Å; W355-V380 HydrophobicContact CG-CG1 4Å; W355-E384 WeakPolarHBondContact CZ2-OE2 3.25Å; W355-E384 PolarHBondContact NE1-OE2 2.99Å; W355-V390 HydrophobicContact CH2-CG1 4.41Å; W355-P391 HydrophobicContact CZ2-CG 4.18Å
356V95.7Very high89.6Confident16 Ų1663 Ų6310%0.09734%0.339CS..SBendtrans-89.6139.9-171.8-1760000110.3M350 A352 P353 A360 L361 W376M350-V356 HydrophobicContact CE-CG1 4.28Å; M350-V356 HydrophobicContact CE-CG2 3.97Å; M350-V356 HydrophobicContact CG-CG2 4.2Å; M350-V356 HydrophobicContact SD-CG2 3.8Å; A352-V356 WeakPolarHBondContact O-CG2 3.35Å; P353-V356 PolarHBondContact O-N 3.09Å; V356-A360 HydrophobicContact CG1-CB 3.78Å; V356-L361 HydrophobicContact CB-CD1 4.45Å; V356-L361 HydrophobicContact CB-CD2 4Å; V356-L361 HydrophobicContact CB-CG 4.13Å; V356-L361 HydrophobicContact CG1-CD2 3.71Å; V356-L361 HydrophobicContact CG1-CG 3.76Å; V356-W376 PolarHBondContact O-NE1 3.11Å
357A96.2Very high90.2Very high1 Ų166.7 Ų66.71%0.00836%0.356CS..  trans-63143.3175.700000111.7E359 A360 L361 A373 W376A357-E359 VanDerWaalsContact C-N 3.29Å; A357-E359 WeakPolarHBondContact CB-OE1 3.37Å; A357-E359 WeakPolarHBondContact CB-OE2 3.35Å; A357-E359 PolarHBondContact O-N 3.12Å; A357-A360 HydrophobicContact CB-CB 4.25Å; A357-A360 WeakPolarHBondContact O-CB 3.37Å; A357-A360 PolarHBondContact O-N 3.16Å; A357-L361 PolarHBondContact O-N 2.86Å; A357-A373 HydrophobicContact CB-CB 4.01Å; A357-W376 HydrophobicContact CB-CB 3.67Å; A357-W376 HydrophobicContact CB-CD2 4.2Å; A357-W376 HydrophobicContact CB-CG 3.7Å
358P96Very high90.8Very high4 Ų462.4 Ų62.43%0.02633%0.329CS..Hα-helixtrans-54.1-44.1-178.4-24.932.4000112.9A360 L361 Q362 W376 V404P358-A360 VanDerWaalsContact C-N 3.28Å; P358-A360 PolarHBondContact O-N 2.79Å; P358-L361 PolarHBondContact O-N 3.3Å; P358-Q362 WeakPolarHBondContact O-CG 3.46Å; P358-Q362 PolarHBondContact O-N 3.34Å; P358-W376 HydrophobicContact CG-CH2 3.86Å; P358-W376 HydrophobicContact CG-CZ2 3.83Å; P358-W376 HydrophobicContact CG-CZ3 4.41Å; P358-V404 HydrophobicContact CB-CG1 4.46Å; P358-V404 HydrophobicContact CG-CG1 4.18Å
359E94.2Very high91.6Very high16 Ų1662 Ų628%0.07530%0.304CS..Hα-helixtrans-67.6-28.9-179.473.6-74.4176.200113.1A357 L361 Q362 K363 T368 P433 R436A357-E359 VanDerWaalsContact C-N 3.29Å; A357-E359 WeakPolarHBondContact CB-OE1 3.37Å; A357-E359 WeakPolarHBondContact CB-OE2 3.35Å; A357-E359 PolarHBondContact O-N 3.12Å; E359-L361 VanDerWaalsContact C-N 3.27Å; E359-L361 PolarHBondContact O-N 2.86Å; E359-Q362 PolarHBondContact O-N 3.26Å; E359-K363 WeakPolarHBondContact O-CB 3.47Å; E359-K363 PolarHBondContact O-N 3.14Å; E359-T368 HydrophobicContact CG-CG2 4.49Å; E359-P433 HydrophobicContact CG-CG 3.86Å; E359-R436 IonicContact OE1-CZ 3.4Å; E359-R436 IonicContact OE1-NH1 3.48Å; E359-R436 PolarHBondContact OE1-NH1 2.72Å; E359-R436 IonicContact OE1-NH2 2.77Å; E359-R436 PolarHBondContact OE1-NH2 3Å; E359-R436 IonicContact OE2-CZ 3.53Å; E359-R436 IonicContact OE2-NH1 3.6Å; E359-R436 IonicContact OE2-NH2 3.43Å; E359-R436 PolarHBondContact OE2-NH2 3.18Å
360A93.7Very high92.1Very high27 Ų2758.4 Ų58.422%0.22329%0.291CS..Hα-helixtrans-75.9-15.9177.800000112.8V356 A357 P358 T368 A373V356-A360 HydrophobicContact CG1-CB 3.78Å; A357-A360 HydrophobicContact CB-CB 4.25Å; A357-A360 WeakPolarHBondContact O-CB 3.37Å; A357-A360 PolarHBondContact O-N 3.16Å; P358-A360 VanDerWaalsContact C-N 3.28Å; P358-A360 PolarHBondContact O-N 2.79Å; A360-T368 HydrophobicContact CB-CG2 3.8Å; A360-A373 HydrophobicContact CB-CB 4.07Å
361L93.5Very high92.5Very high47 Ų4758.7 Ų58.725%0.24629%0.287CS..Hα-helixtrans-88.8-23.5170.9-64.7174.5000112.5M350 P353 V356 A357 P358 E359 V404 A405M350-L361 HydrophobicContact CE-CD2 4.38Å; M350-L361 HydrophobicContact CG-CD2 4.34Å; P353-L361 HydrophobicContact CB-CD2 4.39Å; V356-L361 HydrophobicContact CB-CD1 4.45Å; V356-L361 HydrophobicContact CB-CD2 4Å; V356-L361 HydrophobicContact CB-CG 4.13Å; V356-L361 HydrophobicContact CG1-CD2 3.71Å; V356-L361 HydrophobicContact CG1-CG 3.76Å; A357-L361 PolarHBondContact O-N 2.86Å; P358-L361 PolarHBondContact O-N 3.3Å; E359-L361 VanDerWaalsContact C-N 3.27Å; E359-L361 PolarHBondContact O-N 2.86Å; L361-V404 HydrophobicContact CD1-CB 4.02Å; L361-V404 HydrophobicContact CD1-CG1 3.83Å; L361-A405 HydrophobicContact CB-CB 3.85Å; L361-A405 HydrophobicContact CD1-CB 4.34Å
362Q92.1Very high92.9Very high115 Ų11555.3 Ų55.354%0.53728%0.275SS..Hα-helixtrans-91.9-37-177.8-67.3171.5500113.3P358 E359 A405P358-Q362 WeakPolarHBondContact O-CG 3.46Å; P358-Q362 PolarHBondContact O-N 3.34Å; E359-Q362 PolarHBondContact O-N 3.26Å; Q362-A405 HydrophobicContact CG-CB 4.21Å; Q362-A405 PolarHBondContact NE2-O 3.01Å
363K90.4Very high93.1Very high113 Ų11354.7 Ų54.749%0.49127%0.271SS..SBendtrans-100.9162.3-171.7-63.4-178.9-178-179.20111.6E359 D367E359-K363 WeakPolarHBondContact O-CB 3.47Å; E359-K363 PolarHBondContact O-N 3.14Å; K363-D367 HydrophobicContact CB-CB 4.32Å
364K87.8Confident93.2Very high144 Ų14454.9 Ų54.963%0.62627%0.272SS*.  trans-67.8153.1169-62-177.3179.6174.60110.1E366 D367 T368K364-E366 VanDerWaalsContact CB-OE2 3.3Å; K364-E366 WeakPolarHBondContact CB-OE2 3.49Å; K364-E366 PolarHBondContact O-N 3.33Å; K364-E366 VanDerWaalsContact O-N 3.15Å; K364-D367 PolarHBondContact O-N 2.89Å; K364-D367 VanDerWaalsContact O-N 3.08Å; K364-T368 PolarHBondContact O-N 3.02Å; K364-T368 PolarHBondContact O-OG1 2.85Å
365P85.2Confident93.2Very high104 Ų10454.7 Ų54.768%0.67527%0.27SS*.G310 helixtrans-55.2-32.1179.1-27.436.5000114D367 T368P365-D367 VanDerWaalsContact C-N 3.34Å; P365-T368 PolarHBondContact O-N 3.43Å
366E85.9Confident93.3Very high151 Ų15154.5 Ų54.571%0.70627%0.269SS*.G310 helixtrans-71.7-28.8-179.2-56.473.9-153.200112.7K364K364-E366 VanDerWaalsContact CB-OE2 3.3Å; K364-E366 WeakPolarHBondContact CB-OE2 3.49Å; K364-E366 PolarHBondContact O-N 3.33Å; K364-E366 VanDerWaalsContact O-N 3.15Å
367D90.5Very high93.4Very high110 Ų11054.1 Ų54.159%0.58827%0.267SS*.G310 helixtrans-92.9-2.3-178.8-58.3-40000112.5K363 K364 P365K363-D367 HydrophobicContact CB-CB 4.32Å; K364-D367 PolarHBondContact O-N 2.89Å; K364-D367 VanDerWaalsContact O-N 3.08Å; P365-D367 VanDerWaalsContact C-N 3.34Å
368T90.7Very high93.5Very high18 Ų1854.1 Ų54.111%0.1127%0.267CS..SBendtrans-97.4127.8-174.9-58.10000110.4E359 A360 K364 P365 R370 A373E359-T368 HydrophobicContact CG-CG2 4.49Å; A360-T368 HydrophobicContact CB-CG2 3.8Å; K364-T368 PolarHBondContact O-N 3.02Å; K364-T368 PolarHBondContact O-OG1 2.85Å; P365-T368 PolarHBondContact O-N 3.43Å; T368-R370 VanDerWaalsContact C-N 3.31Å; T368-R370 PolarHBondContact O-N 3.05Å; T368-A373 HydrophobicContact CG2-CB 4.18Å
369N93.4Very high93.5Very high84 Ų8453.9 Ų53.945%0.44927%0.266SS..  trans-68.893.6168-177.2-13.6000109.6R371 S372 A373N369-R371 VanDerWaalsContact C-N 3.29Å; N369-R371 PolarHBondContact O-N 3Å; N369-R371 PolarHBondContact OD1-N 3.45Å; N369-S372 PolarHBondContact ND2-OG 2.92Å; N369-S372 PolarHBondContact O-N 3.28Å; N369-S372 PolarHBondContact OD1-N 3.4Å; N369-A373 PolarHBondContact O-N 3.23Å
370R93.3Very high93.7Very high79 Ų7953.1 Ų53.130%0.29826%0.262SS..Hα-helixtrans-57.9-39.7-174.1-172.256.1131.9140.72113.5R317 H318 T368 S372 A373 D374R317-R370 VanDerWaalsContact CA-NH2 3.25Å; H318-R370 PolarHBondContact O-NH1 3.05Å; H318-R370 PolarHBondContact O-NH2 3.23Å; T368-R370 VanDerWaalsContact C-N 3.31Å; T368-R370 PolarHBondContact O-N 3.05Å; R370-S372 PolarHBondContact O-N 3.03Å; R370-A373 PolarHBondContact O-N 3.3Å; R370-D374 IonicContact NH1-OD1 2.72Å; R370-D374 PolarHBondContact NH1-OD1 3Å; R370-D374 VanDerWaalsContact O-CG 3.3Å; R370-D374 PolarHBondContact O-N 3.2Å
371R95.1Very high93.9Very high91 Ų9151.9 Ų51.934%0.34325%0.252SS..Hα-helixtrans-64.6-43.6-178.8-64.8-173.8172.792.1-4.9111.1H309 L314 N369 D374 M375H309-R371 VanDerWaalsContact CE1-CA 3.41Å; H309-R371 WeakPolarHBondContact CE1-CA 3.29Å; H309-R371 PolarHBondContact O-NE 3.28Å; H309-R371 PolarHBondContact O-NH2 2.9Å; L314-R371 HydrophobicContact CD1-CG 4.37Å; N369-R371 VanDerWaalsContact C-N 3.29Å; N369-R371 PolarHBondContact O-N 3Å; N369-R371 PolarHBondContact OD1-N 3.45Å; R371-D374 PolarHBondContact O-N 3.44Å; R371-M375 PolarHBondContact O-N 3Å; R371-M375 VanDerWaalsContact O-N 3.14Å
372S96.1Very high94Very high11 Ų1150 Ų508%0.07724%0.242CC..Hα-helixtrans-67.7-34.2175.1-62.90000112.8N369 R370 M375 W376 P433 R436N369-S372 PolarHBondContact ND2-OG 2.92Å; N369-S372 PolarHBondContact O-N 3.28Å; N369-S372 PolarHBondContact OD1-N 3.4Å; R370-S372 PolarHBondContact O-N 3.03Å; S372-M375 PolarHBondContact O-N 3.25Å; S372-W376 PolarHBondContact O-N 3.03Å; S372-P433 VanDerWaalsContact CB-O 3.26Å; S372-P433 WeakPolarHBondContact CB-O 3.41Å; S372-P433 PolarHBondContact OG-O 3.37Å; S372-R436 VanDerWaalsContact O-CD 3.27Å; S372-R436 WeakPolarHBondContact O-CD 3.21Å; S372-R436 PolarHBondContact O-NH1 2.98Å
373A96.4Very high94.2Very high3 Ų345.1 Ų45.13%0.02522%0.218CC..Hα-helixtrans-67.6-41.6175.600000111.9A357 A360 T368 N369 R370 M375 W376 S377A357-A373 HydrophobicContact CB-CB 4.01Å; A360-A373 HydrophobicContact CB-CB 4.07Å; T368-A373 HydrophobicContact CG2-CB 4.18Å; N369-A373 PolarHBondContact O-N 3.23Å; R370-A373 PolarHBondContact O-N 3.3Å; A373-M375 VanDerWaalsContact C-N 3.3Å; A373-M375 PolarHBondContact O-N 3.17Å; A373-W376 VanDerWaalsContact O-CB 3.31Å; A373-W376 WeakPolarHBondContact O-CB 3.33Å; A373-W376 PolarHBondContact O-N 3.31Å; A373-S377 PolarHBondContact O-N 2.71Å; A373-S377 PolarHBondContact O-OG 3.06Å
374D96.9Very high94.5Very high7 Ų739.7 Ų39.74%0.03720%0.195CC..Hα-helixtrans-66.4-33.2176.2-63.7-25.2000112M305 H309 R370 R371 W376 S377 F378 F439M305-D374 HydrophobicContact CE-CB 3.69Å; M305-D374 WeakPolarHBondContact CE-OD2 3.17Å; H309-D374 IonicContact CD2-OD2 3.39Å; H309-D374 IonicContact CE1-OD2 3.66Å; H309-D374 IonicContact NE2-OD2 2.85Å; H309-D374 PolarHBondContact NE2-OD2 2.86Å; R370-D374 IonicContact NH1-OD1 2.72Å; R370-D374 PolarHBondContact NH1-OD1 3Å; R370-D374 VanDerWaalsContact O-CG 3.3Å; R370-D374 PolarHBondContact O-N 3.2Å; R371-D374 PolarHBondContact O-N 3.44Å; D374-W376 VanDerWaalsContact C-N 3.3Å; D374-W376 PolarHBondContact O-N 2.75Å; D374-S377 WeakPolarHBondContact O-CB 3.27Å; D374-S377 PolarHBondContact O-N 3.48Å; D374-F378 PolarHBondContact O-N 3.4Å; D374-F439 HydrophobicContact CB-CE2 4.26Å
375M98Very high94.8Very high0 Ų032.9 Ų32.90%017%0.165CC..Hα-helixtrans-63-35.9173.9-176.154.870.200112.2R371 S372 A373 F378 A379 C428 R436 P437 F439 I442R371-M375 PolarHBondContact O-N 3Å; R371-M375 VanDerWaalsContact O-N 3.14Å; S372-M375 PolarHBondContact O-N 3.25Å; A373-M375 VanDerWaalsContact C-N 3.3Å; A373-M375 PolarHBondContact O-N 3.17Å; M375-F378 PolarHBondContact O-N 2.65Å; M375-F378 HydrophobicContact SD-CD1 4Å; M375-A379 PolarHBondContact O-N 3.43Å; M375-A379 VanDerWaalsContact O-N 3.11Å; M375-C428 HydrophobicContact CG-CB 3.95Å; M375-C428 HydrophobicContact SD-CB 3.9Å; M375-R436 HydrophobicContact CG-CB 4.22Å; M375-P437 HydrophobicContact CE-CG 4.32Å; M375-P437 VanDerWaalsContact CE-O 3.25Å; M375-P437 WeakPolarHBondContact CE-O 3.31Å; M375-P437 HydrophobicContact CG-CG 4.31Å; M375-P437 WeakPolarHBondContact CG-O 3.45Å; M375-P437 HydrophobicContact SD-CG 4.28Å; M375-F439 HydrophobicContact CE-CB 4.31Å; M375-F439 HydrophobicContact CE-CD1 3.71Å; M375-F439 HydrophobicContact CE-CD2 3.78Å; M375-F439 HydrophobicContact CE-CE1 3.88Å; M375-F439 HydrophobicContact CE-CE2 3.93Å; M375-F439 HydrophobicContact CE-CG 3.66Å; M375-F439 HydrophobicContact CE-CZ 3.98Å; M375-F439 HydrophobicContact SD-CE1 4.27Å; M375-F439 HydrophobicContact SD-CZ 4.31Å; M375-I442 HydrophobicContact CE-CD1 3.71Å; M375-I442 HydrophobicContact CE-CG1 4.11Å; M375-I442 HydrophobicContact SD-CD1 3.87Å
376W97.8Very high95.2Very high3 Ų330.5 Ų30.51%0.01115%0.149CC..Hα-helixtrans-62.9-48.2171.3-179-78.9000111.2V356 A357 P358 S372 A373 D374 F378 A379 V380 R410 M429V356-W376 PolarHBondContact O-NE1 3.11Å; A357-W376 HydrophobicContact CB-CB 3.67Å; A357-W376 HydrophobicContact CB-CD2 4.2Å; A357-W376 HydrophobicContact CB-CG 3.7Å; P358-W376 HydrophobicContact CG-CH2 3.86Å; P358-W376 HydrophobicContact CG-CZ2 3.83Å; P358-W376 HydrophobicContact CG-CZ3 4.41Å; S372-W376 PolarHBondContact O-N 3.03Å; A373-W376 VanDerWaalsContact O-CB 3.31Å; A373-W376 WeakPolarHBondContact O-CB 3.33Å; A373-W376 PolarHBondContact O-N 3.31Å; D374-W376 VanDerWaalsContact C-N 3.3Å; D374-W376 PolarHBondContact O-N 2.75Å; W376-F378 VanDerWaalsContact C-N 3.27Å; W376-F378 PolarHBondContact O-N 3.48Å; W376-A379 WeakPolarHBondContact O-CA 3.37Å; W376-A379 WeakPolarHBondContact O-CB 3.39Å; W376-A379 PolarHBondContact O-N 2.91Å; W376-V380 PolarHBondContact O-N 3.46Å; W376-R410 VanDerWaalsContact CH2-CD 3.46Å; W376-M429 HydrophobicContact CE3-CB 4.07Å; W376-M429 HydrophobicContact CE3-CG 4.49Å; W376-M429 HydrophobicContact CH2-CB 4.33Å; W376-M429 HydrophobicContact CZ2-CE 4.19Å; W376-M429 HydrophobicContact CZ3-CB 3.97Å; W376-M429 VanDerWaalsContact CZ3-O 3.28Å; W376-M429 WeakPolarHBondContact CZ3-O 3.28Å
377S97.7Very high95.5Very high8 Ų824.4 Ų24.46%0.05612%0.122CC..Hα-helixtrans-58.5-40178.1-58.80000112.5L320 W355 A373 D374 A379 V380 L381L320-S377 WeakPolarHBondContact O-CB 3.42Å; W355-S377 WeakPolarHBondContact O-CA 3.42Å; W355-S377 VanDerWaalsContact O-CB 3.25Å; W355-S377 WeakPolarHBondContact O-CB 3.46Å; W355-S377 PolarHBondContact O-OG 3.34Å; A373-S377 PolarHBondContact O-N 2.71Å; A373-S377 PolarHBondContact O-OG 3.06Å; D374-S377 WeakPolarHBondContact O-CB 3.27Å; D374-S377 PolarHBondContact O-N 3.48Å; S377-A379 VanDerWaalsContact C-N 3.3Å; S377-A379 PolarHBondContact O-N 3.34Å; S377-V380 PolarHBondContact O-N 3.43Å; S377-L381 PolarHBondContact O-N 3.21Å
378F98.1Very high95.6Very high1 Ų123 Ų230%0.00411%0.108CC..Hα-helixtrans-60.2-39.2172.3171.7-99.2000112.5A298 M301 A302 L320 D374 M375 W376 L381 L382 F439 I442 L446A298-F378 HydrophobicContact CB-CE2 4.35Å; A298-F378 HydrophobicContact CB-CZ 4.19Å; A298-F378 VanDerWaalsContact O-CE2 3.3Å; A298-F378 WeakPolarHBondContact O-CE2 3.37Å; M301-F378 HydrophobicContact CB-CD2 4.35Å; M301-F378 HydrophobicContact CB-CE2 4.27Å; M301-F378 HydrophobicContact CE-CE2 4.47Å; A302-F378 HydrophobicContact CB-CE2 4.04Å; A302-F378 HydrophobicContact CB-CZ 4.18Å; L320-F378 HydrophobicContact CD2-CB 4.11Å; D374-F378 PolarHBondContact O-N 3.4Å; M375-F378 PolarHBondContact O-N 2.65Å; M375-F378 HydrophobicContact SD-CD1 4Å; W376-F378 VanDerWaalsContact C-N 3.27Å; W376-F378 PolarHBondContact O-N 3.48Å; F378-L381 WeakPolarHBondContact O-CB 3.41Å; F378-L381 PolarHBondContact O-N 3Å; F378-L382 PolarHBondContact O-N 3.17Å; F378-F439 HydrophobicContact CB-CE1 3.72Å; F378-F439 HydrophobicContact CB-CZ 3.69Å; F378-F439 HydrophobicContact CD1-CE1 4.15Å; F378-F439 AromaticContact CD2-CE1 3.88Å; F378-F439 HydrophobicContact CD2-CE1 3.88Å; F378-F439 AromaticContact CG-CE1 3.62Å; F378-F439 HydrophobicContact CG-CE1 3.62Å; F378-F439 HydrophobicContact CG-CZ 4.14Å; F378-I442 HydrophobicContact CD1-CD1 3.82Å; F378-I442 HydrophobicContact CE1-CD1 3.43Å; F378-I442 VanDerWaalsContact CE1-CD1 3.43Å; F378-I442 HydrophobicContact CZ-CD1 3.99Å; F378-L446 HydrophobicContact CZ-CD1 3.86Å
379A97.4Very high95.8Very high0 Ų027.6 Ų27.60%013%0.129CC..Hα-helixtrans-70.9-34.4179.600000113.1M375 W376 S377 L381 L382 W383 C428 M429M375-A379 PolarHBondContact O-N 3.43Å; M375-A379 VanDerWaalsContact O-N 3.11Å; W376-A379 WeakPolarHBondContact O-CA 3.37Å; W376-A379 WeakPolarHBondContact O-CB 3.39Å; W376-A379 PolarHBondContact O-N 2.91Å; S377-A379 VanDerWaalsContact C-N 3.3Å; S377-A379 PolarHBondContact O-N 3.34Å; A379-L381 VanDerWaalsContact C-N 3.33Å; A379-L382 PolarHBondContact O-N 3.36Å; A379-W383 PolarHBondContact O-N 3.11Å; A379-C428 HydrophobicContact CB-CB 3.48Å; A379-C428 VanDerWaalsContact CB-CB 3.48Å; A379-M429 HydrophobicContact CB-CB 4.48Å; A379-M429 HydrophobicContact CB-CG 3.23Å; A379-M429 HydrophobicContact CB-SD 3.89Å
380V97.7Very high95.9Very high0 Ų025.3 Ų25.30%012%0.117CC..Hα-helixtrans-66.1-37.5170.6-177.70000110.8W355 W376 S377 W383 E384 P391 P411W355-V380 HydrophobicContact CB-CG1 4.47Å; W355-V380 HydrophobicContact CG-CB 4.44Å; W355-V380 HydrophobicContact CG-CG1 4Å; W376-V380 PolarHBondContact O-N 3.46Å; S377-V380 PolarHBondContact O-N 3.43Å; V380-W383 WeakPolarHBondContact O-CB 3.22Å; V380-W383 PolarHBondContact O-N 3.46Å; V380-E384 WeakPolarHBondContact O-CB 3.26Å; V380-E384 PolarHBondContact O-N 3.44Å; V380-P391 HydrophobicContact CG1-CB 4.12Å; V380-P391 HydrophobicContact CG1-CG 3.57Å; V380-P411 HydrophobicContact CG2-CG 4.33Å
381L97.6Very high95.9Very high0 Ų021.7 Ų21.70%010%0.104CC..Hα-helixtrans-63.9-39.8171.5-79.9172.7000112.6L277 M301 L320 S322 V325 S377 F378 A379 W383 E384 L385L277-L381 HydrophobicContact CD2-CD2 4.1Å; M301-L381 HydrophobicContact CE-CB 4.18Å; M301-L381 HydrophobicContact CE-CD1 4.43Å; M301-L381 HydrophobicContact SD-CD1 3.76Å; L320-L381 HydrophobicContact CD1-CD1 4.06Å; L320-L381 HydrophobicContact CD2-CD1 3.9Å; L320-L381 HydrophobicContact CG-CD1 3.57Å; S322-L381 VanDerWaalsContact N-CD2 3.31Å; V325-L381 HydrophobicContact CG2-CD1 4.48Å; S377-L381 PolarHBondContact O-N 3.21Å; F378-L381 WeakPolarHBondContact O-CB 3.41Å; F378-L381 PolarHBondContact O-N 3Å; A379-L381 VanDerWaalsContact C-N 3.33Å; L381-W383 VanDerWaalsContact C-N 3.31Å; L381-E384 PolarHBondContact O-N 3.02Å; L381-L385 WeakPolarHBondContact O-CB 3.18Å; L381-L385 VanDerWaalsContact O-CG 3.31Å; L381-L385 WeakPolarHBondContact O-CG 3.35Å; L381-L385 PolarHBondContact O-N 3.21Å
382L96Very high96Very high7 Ų718.7 Ų18.74%0.0379%0.094CC..Hα-helixtrans-65.1-37.9174.5-176.259.8000111.3A298 F378 A379 V386 V421 L424 M425A298-L382 HydrophobicContact CB-CD1 4.02Å; F378-L382 PolarHBondContact O-N 3.17Å; A379-L382 PolarHBondContact O-N 3.36Å; L382-V386 HydrophobicContact CD1-CG2 4.43Å; L382-V386 WeakPolarHBondContact O-CG2 3.48Å; L382-V386 PolarHBondContact O-N 3.32Å; L382-V421 HydrophobicContact CD1-CG1 4.18Å; L382-V421 HydrophobicContact CD2-CG1 4.21Å; L382-V421 HydrophobicContact CG-CG1 4.12Å; L382-L424 HydrophobicContact CD2-CB 4.48Å; L382-L424 HydrophobicContact CD2-CD2 3.8Å; L382-L424 HydrophobicContact CD2-CG 4.05Å; L382-M425 HydrophobicContact CB-CG 4.31Å; L382-M425 HydrophobicContact CD2-CG 3.54Å; L382-M425 HydrophobicContact CG-CG 3.81Å; L382-M425 HydrophobicContact CG-SD 4.34Å
383W96.3Very high95.9Very high13 Ų1321.9 Ų21.95%0.04912%0.121CC..Hα-helixtrans-58.5-54.2170.6-176.392.3000110.6A379 V380 L381 L385 V386 T387 E389 P391 P411 T412 M425A379-W383 PolarHBondContact O-N 3.11Å; V380-W383 WeakPolarHBondContact O-CB 3.22Å; V380-W383 PolarHBondContact O-N 3.46Å; L381-W383 VanDerWaalsContact C-N 3.31Å; W383-L385 VanDerWaalsContact C-N 3.31Å; W383-L385 PolarHBondContact O-N 3.42Å; W383-V386 PolarHBondContact O-N 3.35Å; W383-T387 HydrophobicContact CD2-CG2 3.96Å; W383-T387 HydrophobicContact CG-CG2 4.25Å; W383-T387 HydrophobicContact CZ2-CG2 3.89Å; W383-T387 WeakPolarHBondContact CZ3-OG1 3.09Å; W383-T387 PolarHBondContact O-N 3.02Å; W383-T387 PolarHBondContact O-OG1 2.88Å; W383-E389 HydrophobicContact CH2-CB 3.63Å; W383-E389 HydrophobicContact CZ3-CB 3.97Å; W383-E389 VanDerWaalsContact CZ3-O 3.31Å; W383-E389 WeakPolarHBondContact CZ3-O 3.48Å; W383-P391 HydrophobicContact CE3-CB 4.26Å; W383-P391 HydrophobicContact CE3-CG 3.91Å; W383-P391 HydrophobicContact CZ3-CB 3.91Å; W383-P391 HydrophobicContact CZ3-CG 3.78Å; W383-P411 HydrophobicContact CD2-CB 4.15Å; W383-P411 HydrophobicContact CG-CB 4.11Å; W383-T412 PolarHBondContact NE1-O 3.21Å; W383-M425 VanDerWaalsContact CA-CE 3.41Å; W383-M425 HydrophobicContact CB-CE 3.38Å; W383-M425 VanDerWaalsContact CD1-CE 3.48Å; W383-M425 HydrophobicContact CG-CE 3.8Å
384E96Very high95.8Very high0 Ų028.4 Ų28.40%016%0.155CC..Hα-helixtrans-59.9-38-179.2-179.9176.9-169.200112.5L281 H282 S322 W355 V380 L381 V386 R388 E389L281-E384 HydrophobicContact CD1-CG 3.79Å; H282-E384 IonicContact CD2-OE1 2.7Å; H282-E384 IonicContact CE1-OE1 3.81Å; H282-E384 IonicContact NE2-OE1 3.09Å; H282-E384 PolarHBondContact NE2-OE1 2.99Å; S322-E384 VanDerWaalsContact CB-OE1 3.22Å; S322-E384 WeakPolarHBondContact CB-OE1 3.43Å; S322-E384 VanDerWaalsContact CB-OE2 3.26Å; S322-E384 WeakPolarHBondContact CB-OE2 3.37Å; S322-E384 VanDerWaalsContact OG-CD 3.29Å; S322-E384 PolarHBondContact OG-OE1 3.32Å; S322-E384 PolarHBondContact OG-OE2 3.45Å; S322-E384 VanDerWaalsContact OG-OE2 3.12Å; W355-E384 WeakPolarHBondContact CZ2-OE2 3.25Å; W355-E384 PolarHBondContact NE1-OE2 2.99Å; V380-E384 WeakPolarHBondContact O-CB 3.26Å; V380-E384 PolarHBondContact O-N 3.44Å; L381-E384 PolarHBondContact O-N 3.02Å; E384-V386 VanDerWaalsContact C-N 3.28Å; E384-V386 PolarHBondContact O-N 2.97Å; E384-R388 WeakPolarHBondContact O-CA 3.25Å; E384-R388 PolarHBondContact O-N 3.14Å; E384-E389 WeakPolarHBondContact CG-O 3.46Å
385L94.8Very high95.7Very high1 Ų129.7 Ų29.71%0.00516%0.162CC..Hα-helixtrans-64-31.4174.5-82.3171.3000113.1L277 L281 A294 F297 A298 M301 L381 W383 R388L277-L385 HydrophobicContact CD1-CD2 3.91Å; L277-L385 HydrophobicContact CD2-CD2 4.23Å; L277-L385 HydrophobicContact CD2-CG 4.43Å; L281-L385 HydrophobicContact CD1-CD2 4.28Å; L281-L385 HydrophobicContact CD2-CD2 4.38Å; A294-L385 HydrophobicContact CB-CB 4.36Å; A294-L385 HydrophobicContact CB-CD2 4.47Å; F297-L385 HydrophobicContact CB-CD1 4.27Å; F297-L385 HydrophobicContact CB-CD2 4.25Å; F297-L385 HydrophobicContact CD2-CD2 4.03Å; A298-L385 HydrophobicContact CB-CD1 4.18Å; M301-L385 HydrophobicContact CE-CD1 3.6Å; L381-L385 WeakPolarHBondContact O-CB 3.18Å; L381-L385 VanDerWaalsContact O-CG 3.31Å; L381-L385 WeakPolarHBondContact O-CG 3.35Å; L381-L385 PolarHBondContact O-N 3.21Å; W383-L385 VanDerWaalsContact C-N 3.31Å; W383-L385 PolarHBondContact O-N 3.42Å; L385-R388 PolarHBondContact O-NH1 2.89Å; L385-R388 PolarHBondContact O-NH2 3.33Å
386V93.3Very high95.6Very high54 Ų5432.3 Ų32.333%0.32718%0.18SC..Hα-helixtrans-94.1-40.1-174.7175.30000111.2L382 W383 E384 I417 V421L382-V386 HydrophobicContact CD1-CG2 4.43Å; L382-V386 WeakPolarHBondContact O-CG2 3.48Å; L382-V386 PolarHBondContact O-N 3.32Å; W383-V386 PolarHBondContact O-N 3.35Å; E384-V386 VanDerWaalsContact C-N 3.28Å; E384-V386 PolarHBondContact O-N 2.97Å; V386-I417 HydrophobicContact CB-CD1 4.42Å; V386-I417 HydrophobicContact CG1-CB 4.26Å; V386-I417 HydrophobicContact CG1-CD1 3.51Å; V386-I417 HydrophobicContact CG1-CG1 3.52Å; V386-I417 HydrophobicContact CG1-CG2 3.83Å; V386-V421 HydrophobicContact CG2-CG1 3.81Å
387T93.1Very high95.4Very high23 Ų2336 Ų3614%0.14120%0.2CC..Hα-helixtrans-82.1-23.8-179.861.40000112.8W383 E389 P414 I417W383-T387 HydrophobicContact CD2-CG2 3.96Å; W383-T387 HydrophobicContact CG-CG2 4.25Å; W383-T387 HydrophobicContact CZ2-CG2 3.89Å; W383-T387 WeakPolarHBondContact CZ3-OG1 3.09Å; W383-T387 PolarHBondContact O-N 3.02Å; W383-T387 PolarHBondContact O-OG1 2.88Å; T387-E389 PolarHBondContact O-N 3.12Å; T387-E389 PolarHBondContact OG1-N 3.44Å; T387-P414 HydrophobicContact CG2-CG 3.78Å; T387-I417 HydrophobicContact CG2-CD1 4.42Å
388R92.4Very high95.1Very high80 Ų8042.4 Ų42.430%0.30223%0.231SC..  trans57.826.7-169.4-54.7-65.1-174.8-138.9-18.2112.8V289 D290 E384 L385V289-R388 VanDerWaalsContact CB-CZ 3.4Å; V289-R388 PolarHBondContact O-NH2 3.47Å; D290-R388 PolarHBondContact O-NH2 3.08Å; E384-R388 WeakPolarHBondContact O-CA 3.25Å; E384-R388 PolarHBondContact O-N 3.14Å; L385-R388 PolarHBondContact O-NH1 2.89Å; L385-R388 PolarHBondContact O-NH2 3.33Å
389E94Very high95Very high115 Ų11546.5 Ų46.554%0.53725%0.25SS..  trans-112.8149.5179.3-68176.6176.100110.7W383 E384 T387W383-E389 HydrophobicContact CH2-CB 3.63Å; W383-E389 HydrophobicContact CZ3-CB 3.97Å; W383-E389 VanDerWaalsContact CZ3-O 3.31Å; W383-E389 WeakPolarHBondContact CZ3-O 3.48Å; E384-E389 WeakPolarHBondContact CG-O 3.46Å; T387-E389 PolarHBondContact O-N 3.12Å; T387-E389 PolarHBondContact OG1-N 3.44Å
390V95Very high95Very high35 Ų3546.8 Ų46.821%0.21225%0.252CS..  trans-79.7126169.7179.60000108.2Y278 H282 W355 F392 A393Y278-V390 HydrophobicContact CE2-CG1 4.31Å; Y278-V390 HydrophobicContact CE2-CG2 3.77Å; H282-V390 HydrophobicContact CB-CG2 4.4Å; W355-V390 HydrophobicContact CH2-CG1 4.41Å; V390-F392 PolarHBondContact O-N 2.88Å; V390-A393 HydrophobicContact CB-CB 4Å; V390-A393 HydrophobicContact CG1-CB 4.37Å; V390-A393 PolarHBondContact O-N 3.15Å
391P95.3Very high94.9Very high3 Ų347.6 Ų47.62%0.01926%0.26CS..THydrogen-bonded Turntrans-62.8124-177.7-12.621.9000111A354 W355 V380 W383 A393A354-P391 HydrophobicContact CB-CB 4.23Å; W355-P391 HydrophobicContact CZ2-CG 4.18Å; V380-P391 HydrophobicContact CG1-CB 4.12Å; V380-P391 HydrophobicContact CG1-CG 3.57Å; W383-P391 HydrophobicContact CE3-CB 4.26Å; W383-P391 HydrophobicContact CE3-CG 3.91Å; W383-P391 HydrophobicContact CZ3-CB 3.91Å; W383-P391 HydrophobicContact CZ3-CG 3.78Å; P391-A393 VanDerWaalsContact C-N 3.33Å; P391-A393 PolarHBondContact O-N 2.94Å
392F96Very high94.7Very high29 Ų2952 Ų5213%0.12728%0.282CS..THydrogen-bonded Turntrans57.839.2179.8-39.3-60.4000114.1A354 V390 D394 L395 I400 V404 L409 P411A354-F392 HydrophobicContact CB-CD2 4Å; V390-F392 PolarHBondContact O-N 2.88Å; F392-D394 PolarHBondContact O-N 3.38Å; F392-L395 HydrophobicContact CB-CD1 4.36Å; F392-L395 PolarHBondContact O-N 3.07Å; F392-I400 HydrophobicContact CB-CD1 3.88Å; F392-I400 HydrophobicContact CB-CG1 3.85Å; F392-I400 HydrophobicContact CD2-CG1 4.48Å; F392-I400 HydrophobicContact CD2-CG2 3.8Å; F392-I400 HydrophobicContact CE2-CG2 4.41Å; F392-V404 HydrophobicContact CE2-CG2 3.95Å; F392-V404 HydrophobicContact CZ-CG2 4.44Å; F392-L409 HydrophobicContact CD1-CD1 3.96Å; F392-L409 HydrophobicContact CD1-CD2 3.82Å; F392-L409 HydrophobicContact CD1-CG 3.93Å; F392-L409 HydrophobicContact CD2-CD2 4.3Å; F392-L409 HydrophobicContact CE1-CD1 3.64Å; F392-L409 HydrophobicContact CE1-CD2 3.9Å; F392-L409 HydrophobicContact CE1-CG 3.5Å; F392-L409 HydrophobicContact CE2-CD2 4.36Å; F392-L409 HydrophobicContact CE2-CG 4.4Å; F392-L409 HydrophobicContact CG-CD2 4.02Å; F392-L409 HydrophobicContact CZ-CD1 4.36Å; F392-L409 HydrophobicContact CZ-CD2 4.15Å; F392-L409 HydrophobicContact CZ-CG 3.75Å; F392-P411 HydrophobicContact CE2-CG 4.44Å; F392-P411 HydrophobicContact CZ-CG 3.94Å
393A93.5Very high94.8Very high78 Ų7854.8 Ų54.865%0.64529%0.293SS*.THydrogen-bonded Turntrans-54.8-24.2-174.500000115.2V390 P391V390-A393 HydrophobicContact CB-CB 4Å; V390-A393 HydrophobicContact CG1-CB 4.37Å; V390-A393 PolarHBondContact O-N 3.15Å; P391-A393 VanDerWaalsContact C-N 3.33Å; P391-A393 PolarHBondContact O-N 2.94Å
394D94.4Very high94.8Very high139 Ų13954.3 Ų54.374%0.74329%0.292SS*.THydrogen-bonded Turntrans-80.8-12.7-178.760.4-51.5000114.1F392F392-D394 PolarHBondContact O-N 3.38Å
395L95.8Very high94.7Very high34 Ų3455 Ų5518%0.17830%0.297CS..SBendtrans-107.7149.4-175.6-60.1-178.7000112F392 E399 I400 K403 L409F392-L395 HydrophobicContact CB-CD1 4.36Å; F392-L395 PolarHBondContact O-N 3.07Å; L395-E399 HydrophobicContact CB-CB 4.33Å; L395-I400 HydrophobicContact CB-CD1 4.19Å; L395-I400 HydrophobicContact CB-CG1 3.58Å; L395-I400 HydrophobicContact CD1-CG1 4.34Å; L395-K403 HydrophobicContact CD1-CD 4.04Å; L395-L409 HydrophobicContact CD1-CD2 3.82Å
396S94.9Very high94.7Very high56 Ų5661.3 Ų61.339%0.39233%0.33SS..  trans-70155.4170.4710000111.4M398 E399 I400S396-M398 PolarHBondContact O-N 2.99Å; S396-M398 VanDerWaalsContact O-N 3.12Å; S396-E399 VanDerWaalsContact CB-OE2 3.23Å; S396-E399 WeakPolarHBondContact CB-OE2 3.47Å; S396-E399 PolarHBondContact N-OE2 2.97Å; S396-E399 PolarHBondContact O-N 3.44Å; S396-E399 VanDerWaalsContact O-N 3.08Å; S396-E399 VanDerWaalsContact OG-CG 3.32Å; S396-E399 WeakPolarHBondContact OG-CG 3.48Å; S396-E399 PolarHBondContact OG-N 3.09Å; S396-E399 PolarHBondContact OG-OE2 2.64Å; S396-I400 VanDerWaalsContact O-CG1 3.31Å; S396-I400 WeakPolarHBondContact O-CG1 3.16Å; S396-I400 PolarHBondContact O-N 2.89Å
397N93.5Very high94.7Very high80 Ų8065 Ų6543%0.42834%0.344SS..Hα-helixtrans-54.1-35.3176.4-74.4-32.3000113.1Y351 P353 G401Y351-N397 PolarHBondContact O-ND2 3.19Å; Y351-N397 VanDerWaalsContact O-ND2 3.16Å; P353-N397 HydrophobicContact CG-CB 4.1Å; P353-N397 WeakPolarHBondContact CG-O 3.4Å; N397-G401 PolarHBondContact O-N 2.77Å
398M93.1Very high94.7Very high143 Ų14366.1 Ų66.170%0.70436%0.361SS*.Hα-helixtrans-67.6-46.6178.2-176.6170.6177.100111.3S396 G401 M402S396-M398 PolarHBondContact O-N 2.99Å; S396-M398 VanDerWaalsContact O-N 3.12Å; M398-G401 PolarHBondContact O-N 3.4Å; M398-M402 HydrophobicContact CE-SD 4.11Å; M398-M402 HydrophobicContact CG-SD 4.32Å; M398-M402 WeakPolarHBondContact O-CG 3.31Å; M398-M402 PolarHBondContact O-N 2.92Å
399E95.8Very high94.9Very high87 Ų8764.5 Ų64.541%0.40736%0.357SS..Hα-helixtrans-62.3-44.9176.6-70.1165.7118.600111.3L395 S396 G401 M402 K403L395-E399 HydrophobicContact CB-CB 4.33Å; S396-E399 VanDerWaalsContact CB-OE2 3.23Å; S396-E399 WeakPolarHBondContact CB-OE2 3.47Å; S396-E399 PolarHBondContact N-OE2 2.97Å; S396-E399 PolarHBondContact O-N 3.44Å; S396-E399 VanDerWaalsContact O-N 3.08Å; S396-E399 VanDerWaalsContact OG-CG 3.32Å; S396-E399 WeakPolarHBondContact OG-CG 3.48Å; S396-E399 PolarHBondContact OG-N 3.09Å; S396-E399 PolarHBondContact OG-OE2 2.64Å; E399-G401 VanDerWaalsContact C-N 3.33Å; E399-G401 PolarHBondContact O-N 3.48Å; E399-M402 PolarHBondContact O-N 3.5Å; E399-K403 WeakPolarHBondContact O-CB 3.36Å; E399-K403 VanDerWaalsContact O-CG 3.27Å; E399-K403 WeakPolarHBondContact O-CG 3.49Å; E399-K403 PolarHBondContact O-N 3.21Å
400I96.7Very high94.9Very high6 Ų661.7 Ų61.73%0.03134%0.342CS..Hα-helixtrans-57-50.1176.1-64.5167.9000110P353 A354 F392 L395 S396 M402 K403 V404P353-I400 HydrophobicContact CB-CG2 4.28Å; P353-I400 HydrophobicContact CG-CB 4.18Å; P353-I400 HydrophobicContact CG-CG2 4.12Å; A354-I400 HydrophobicContact CB-CD1 4.39Å; A354-I400 HydrophobicContact CB-CG2 3.96Å; F392-I400 HydrophobicContact CB-CD1 3.88Å; F392-I400 HydrophobicContact CB-CG1 3.85Å; F392-I400 HydrophobicContact CD2-CG1 4.48Å; F392-I400 HydrophobicContact CD2-CG2 3.8Å; F392-I400 HydrophobicContact CE2-CG2 4.41Å; L395-I400 HydrophobicContact CB-CD1 4.19Å; L395-I400 HydrophobicContact CB-CG1 3.58Å; L395-I400 HydrophobicContact CD1-CG1 4.34Å; S396-I400 VanDerWaalsContact O-CG1 3.31Å; S396-I400 WeakPolarHBondContact O-CG1 3.16Å; S396-I400 PolarHBondContact O-N 2.89Å; I400-M402 VanDerWaalsContact C-N 3.35Å; I400-M402 PolarHBondContact O-N 2.84Å; I400-K403 PolarHBondContact O-N 3.28Å; I400-V404 HydrophobicContact CG2-CG2 3.96Å; I400-V404 VanDerWaalsContact O-CB 3.29Å; I400-V404 WeakPolarHBondContact O-CB 3.32Å; I400-V404 WeakPolarHBondContact O-CG2 3.25Å; I400-V404 PolarHBondContact O-N 3.14Å
401G94.8Very high94.8Very high16 Ų1660.8 Ų60.817%0.16534%0.337CS..Hα-helixtrans-57.4-46.1179.500000112.6N397 M398 E399 A405N397-G401 PolarHBondContact O-N 2.77Å; M398-G401 PolarHBondContact O-N 3.4Å; E399-G401 VanDerWaalsContact C-N 3.33Å; E399-G401 PolarHBondContact O-N 3.48Å; G401-A405 WeakPolarHBondContact O-CB 2.87Å; G401-A405 PolarHBondContact O-N 3.23Å; G401-A405 VanDerWaalsContact O-N 3.12Å
402M95Very high94.7Very high94 Ų9466.1 Ų66.146%0.46337%0.369SS..Hα-helixtrans-65.7-47.9178.2-71.1179.864.700112.2M398 E399 I400 A405 L406M398-M402 HydrophobicContact CE-SD 4.11Å; M398-M402 HydrophobicContact CG-SD 4.32Å; M398-M402 WeakPolarHBondContact O-CG 3.31Å; M398-M402 PolarHBondContact O-N 2.92Å; E399-M402 PolarHBondContact O-N 3.5Å; I400-M402 VanDerWaalsContact C-N 3.35Å; I400-M402 PolarHBondContact O-N 2.84Å; M402-A405 PolarHBondContact O-N 3.28Å; M402-L406 WeakPolarHBondContact O-CB 3.47Å; M402-L406 PolarHBondContact O-N 2.98Å
403K97.2Very high94.4Very high64 Ų6467.1 Ų67.128%0.27838%0.376SS..Hα-helixtrans-69.8-39.5-176.3-68.4-168.4174.51770112.9L395 E399 I400 E407 G408 L409L395-K403 HydrophobicContact CD1-CD 4.04Å; E399-K403 WeakPolarHBondContact O-CB 3.36Å; E399-K403 VanDerWaalsContact O-CG 3.27Å; E399-K403 WeakPolarHBondContact O-CG 3.49Å; E399-K403 PolarHBondContact O-N 3.21Å; I400-K403 PolarHBondContact O-N 3.28Å; K403-E407 HydrophobicContact CB-CB 4.32Å; K403-E407 WeakPolarHBondContact CG-OE2 3.23Å; K403-E407 CarbonylContact O-C 3.55Å; K403-E407 WeakPolarHBondContact O-CA 3.25Å; K403-E407 WeakPolarHBondContact O-CB 3.32Å; K403-E407 PolarHBondContact O-N 3.47Å; K403-G408 PolarHBondContact O-N 3.17Å; K403-G408 VanDerWaalsContact O-N 3.17Å; K403-L409 HydrophobicContact CB-CB 3.73Å; K403-L409 HydrophobicContact CB-CD2 3.65Å; K403-L409 HydrophobicContact CB-CG 4.32Å; K403-L409 HydrophobicContact CD-CD2 4.23Å; K403-L409 PolarHBondContact O-N 3.33Å; K403-L409 VanDerWaalsContact O-N 3.15Å
404V96.1Very high94.2Very high4 Ų466 Ų662%0.02436%0.362CS..Hα-helixtrans-64.9-44.3175.11730000109.9P358 L361 F392 I400 L409 R410P358-V404 HydrophobicContact CB-CG1 4.46Å; P358-V404 HydrophobicContact CG-CG1 4.18Å; L361-V404 HydrophobicContact CD1-CB 4.02Å; L361-V404 HydrophobicContact CD1-CG1 3.83Å; F392-V404 HydrophobicContact CE2-CG2 3.95Å; F392-V404 HydrophobicContact CZ-CG2 4.44Å; I400-V404 HydrophobicContact CG2-CG2 3.96Å; I400-V404 VanDerWaalsContact O-CB 3.29Å; I400-V404 WeakPolarHBondContact O-CB 3.32Å; I400-V404 WeakPolarHBondContact O-CG2 3.25Å; I400-V404 PolarHBondContact O-N 3.14Å; V404-L409 HydrophobicContact CG2-CB 4.28Å; V404-L409 HydrophobicContact CG2-CD2 4.22Å; V404-L409 HydrophobicContact CG2-CG 4.37Å; V404-R410 PolarHBondContact O-NH1 3.45Å
405A94.3Very high93.9Very high13 Ų1365.7 Ų65.711%0.10737%0.367CS..Hα-helixtrans-70.8-40.4-178.800000112.9L361 Q362 G401 M402L361-A405 HydrophobicContact CB-CB 3.85Å; L361-A405 HydrophobicContact CD1-CB 4.34Å; Q362-A405 HydrophobicContact CG-CB 4.21Å; Q362-A405 PolarHBondContact NE2-O 3.01Å; G401-A405 WeakPolarHBondContact O-CB 2.87Å; G401-A405 PolarHBondContact O-N 3.23Å; G401-A405 VanDerWaalsContact O-N 3.12Å; M402-A405 PolarHBondContact O-N 3.28Å
406L94.2Very high93.5Very high134 Ų13468.2 Ų68.270%0.70240%0.401SS*.Hα-helixtrans-119.7-24.4-165.4-55.9177.8000114.6M402M402-L406 WeakPolarHBondContact O-CB 3.47Å; M402-L406 PolarHBondContact O-N 2.98Å
407E93.8Very high93.1Very high131 Ų13167 Ų6761%0.61239%0.39SS*.SBendtrans-111.95-170.6-59.2177.9-150.800113.4K403 L409K403-E407 HydrophobicContact CB-CB 4.32Å; K403-E407 WeakPolarHBondContact CG-OE2 3.23Å; K403-E407 CarbonylContact O-C 3.55Å; K403-E407 WeakPolarHBondContact O-CA 3.25Å; K403-E407 WeakPolarHBondContact O-CB 3.32Å; K403-E407 PolarHBondContact O-N 3.47Å; E407-L409 VanDerWaalsContact C-N 3.31Å; E407-L409 PolarHBondContact O-N 3.33Å
408G93.6Very high92.9Very high48 Ų4864.8 Ų64.850%0.49538%0.381SS..  trans7123.1178.100000114.2K403 R410K403-G408 PolarHBondContact O-N 3.17Å; K403-G408 VanDerWaalsContact O-N 3.17Å; G408-R410 PolarHBondContact O-N 3.35Å
409L95.6Very high92.7Very high45 Ų4563 Ų6324%0.23638%0.381CS..  trans-64.7124.2174-179.766.5000110.2F392 L395 K403 V404 E407F392-L409 HydrophobicContact CD1-CD1 3.96Å; F392-L409 HydrophobicContact CD1-CD2 3.82Å; F392-L409 HydrophobicContact CD1-CG 3.93Å; F392-L409 HydrophobicContact CD2-CD2 4.3Å; F392-L409 HydrophobicContact CE1-CD1 3.64Å; F392-L409 HydrophobicContact CE1-CD2 3.9Å; F392-L409 HydrophobicContact CE1-CG 3.5Å; F392-L409 HydrophobicContact CE2-CD2 4.36Å; F392-L409 HydrophobicContact CE2-CG 4.4Å; F392-L409 HydrophobicContact CG-CD2 4.02Å; F392-L409 HydrophobicContact CZ-CD1 4.36Å; F392-L409 HydrophobicContact CZ-CD2 4.15Å; F392-L409 HydrophobicContact CZ-CG 3.75Å; L395-L409 HydrophobicContact CD1-CD2 3.82Å; K403-L409 HydrophobicContact CB-CB 3.73Å; K403-L409 HydrophobicContact CB-CD2 3.65Å; K403-L409 HydrophobicContact CB-CG 4.32Å; K403-L409 HydrophobicContact CD-CD2 4.23Å; K403-L409 PolarHBondContact O-N 3.33Å; K403-L409 VanDerWaalsContact O-N 3.15Å; V404-L409 HydrophobicContact CG2-CB 4.28Å; V404-L409 HydrophobicContact CG2-CD2 4.22Å; V404-L409 HydrophobicContact CG2-CG 4.37Å; E407-L409 VanDerWaalsContact C-N 3.31Å; E407-L409 PolarHBondContact O-N 3.33Å
410R94.9Very high92.5Very high56 Ų5664.1 Ų64.121%0.21139%0.385CS..  trans-138.7147.6-178.5-58.9-61.1-178.9-94-3.4110.7W376 V404 G408 T412 E431W376-R410 VanDerWaalsContact CH2-CD 3.46Å; V404-R410 PolarHBondContact O-NH1 3.45Å; G408-R410 PolarHBondContact O-N 3.35Å; R410-T412 PolarHBondContact O-N 3.18Å; R410-E431 WeakPolarHBondContact CD-OE1 3.45Å; R410-E431 IonicContact CZ-OE1 3.62Å; R410-E431 IonicContact CZ-OE2 3.59Å; R410-E431 IonicContact NE-OE1 2.88Å; R410-E431 PolarHBondContact NE-OE1 3.02Å; R410-E431 IonicContact NE-OE2 2.71Å; R410-E431 PolarHBondContact NE-OE2 3.42Å; R410-E431 IonicContact NH2-OE1 3.35Å; R410-E431 IonicContact NH2-OE2 3.61Å; R410-E431 PolarHBondContact NH2-OE2 3.04Å
411P92.6Very high92.2Very high17 Ų1764.4 Ų64.411%0.1139%0.387CS..  trans-58.1130.7170.5-2231.8000111.4V380 W383 F392 M429V380-P411 HydrophobicContact CG2-CG 4.33Å; W383-P411 HydrophobicContact CD2-CB 4.15Å; W383-P411 HydrophobicContact CG-CB 4.11Å; F392-P411 HydrophobicContact CE2-CG 4.44Å; F392-P411 HydrophobicContact CZ-CG 3.94Å; P411-M429 HydrophobicContact CB-CE 4.05Å; P411-M429 VanDerWaalsContact CD-CE 3.48Å; P411-M429 HydrophobicContact CG-CE 3.66Å
412T92.4Very high92.2Very high114 Ų11464.9 Ų64.970%0.69939%0.388SS*.  trans-88.2132.3175.951.70000109.6W383 R410 P414W383-T412 PolarHBondContact NE1-O 3.21Å; R410-T412 PolarHBondContact O-N 3.18Å; T412-P414 VanDerWaalsContact O-CD 3.25Å; T412-P414 WeakPolarHBondContact O-CD 3.31Å
413I90.6Very high92.1Very high51 Ų5167.2 Ų67.226%0.26240%0.396SS..  trans-86.2111.4178.6-56179.8000108I417 C422 M425 K426I413-I417 HydrophobicContact CG2-CD1 3.78Å; I413-C422 HydrophobicContact CG2-CB 4.41Å; I413-M425 HydrophobicContact CD1-CB 4.03Å; I413-M425 HydrophobicContact CD1-CE 4.18Å; I413-M425 HydrophobicContact CG1-CE 4.03Å; I413-K426 HydrophobicContact CD1-CG 3.83Å
414P89.1Confident92Very high54 Ų5464.6 Ų64.635%0.35139%0.385SS..  trans-66.8154.6-178.627-34.7000112T387 T412 I417T387-P414 HydrophobicContact CG2-CG 3.78Å; T412-P414 VanDerWaalsContact O-CD 3.25Å; T412-P414 WeakPolarHBondContact O-CD 3.31Å; P414-I417 HydrophobicContact CG-CD1 3.65Å; P414-I417 HydrophobicContact CG-CG1 4.26Å
415P88Confident92Very high132 Ų13264.4 Ų64.486%0.85738%0.383SS*.THydrogen-bonded Turntrans-63.7152.2171.129.2-34.3000110.8
416G86.3Confident92Very high87 Ų8770.2 Ų70.290%0.89741%0.406SS*.THydrogen-bonded Turntrans97.3-10.2178.400000115.3
417I87.5Confident92.1Very high30 Ų3067.3 Ų67.315%0.15439%0.391CS..SBendtrans-71142.4172.3-62.5177.8000110.4V386 T387 I413 P414 V421 C422V386-I417 HydrophobicContact CB-CD1 4.42Å; V386-I417 HydrophobicContact CG1-CB 4.26Å; V386-I417 HydrophobicContact CG1-CD1 3.51Å; V386-I417 HydrophobicContact CG1-CG1 3.52Å; V386-I417 HydrophobicContact CG1-CG2 3.83Å; T387-I417 HydrophobicContact CG2-CD1 4.42Å; I413-I417 HydrophobicContact CG2-CD1 3.78Å; P414-I417 HydrophobicContact CG-CD1 3.65Å; P414-I417 HydrophobicContact CG-CG1 4.26Å; I417-V421 HydrophobicContact CG2-CB 4Å; I417-V421 HydrophobicContact CG2-CG1 4.04Å; I417-C422 HydrophobicContact CG2-CB 4.41Å
418S88.5Confident92.2Very high34 Ų3461.1 Ų61.124%0.23836%0.362CS..  trans-46.2129.8173.5171.30000111.7H420 V421 C422S418-H420 PolarHBondContact O-N 2.66Å; S418-H420 VanDerWaalsContact O-N 3.09Å; S418-V421 PolarHBondContact O-N 3.49Å; S418-C422 PolarHBondContact O-N 3.21Å
419P90.2Very high92.3Very high107 Ų10760 Ų6070%0.69534%0.344SS*.Hα-helixtrans-55.1-32.9-180-27.534.5000113.4K423P419-K423 VanDerWaalsContact O-CB 3.32Å; P419-K423 WeakPolarHBondContact O-CB 3.44Å; P419-K423 PolarHBondContact O-N 2.87Å
420H90.6Very high92.3Very high109 Ų10960.3 Ų60.351%0.50535%0.346SS..Hα-helixtrans-69.7-43.9179-60.9-61.4000112.1S418 K423 L424 M449S418-H420 PolarHBondContact O-N 2.66Å; S418-H420 VanDerWaalsContact O-N 3.09Å; H420-K423 PolarHBondContact O-N 3.26Å; H420-L424 WeakPolarHBondContact O-CB 3.21Å; H420-L424 PolarHBondContact O-N 3.24Å; H420-M449 HydrophobicContact CB-CE 3.43Å; H420-M449 VanDerWaalsContact CB-CE 3.43Å
421V91.7Very high92.2Very high12 Ų1262.5 Ų62.57%0.07336%0.358CS..Hα-helixtrans-67.1-44.7177.4177.90000110.2L382 V386 I417 S418 K423 L424 M425 M449L382-V421 HydrophobicContact CD1-CG1 4.18Å; L382-V421 HydrophobicContact CD2-CG1 4.21Å; L382-V421 HydrophobicContact CG-CG1 4.12Å; V386-V421 HydrophobicContact CG2-CG1 3.81Å; I417-V421 HydrophobicContact CG2-CB 4Å; I417-V421 HydrophobicContact CG2-CG1 4.04Å; S418-V421 PolarHBondContact O-N 3.49Å; V421-K423 VanDerWaalsContact C-N 3.34Å; V421-K423 PolarHBondContact O-N 3.41Å; V421-L424 WeakPolarHBondContact O-CB 3.27Å; V421-L424 PolarHBondContact O-N 2.84Å; V421-L424 VanDerWaalsContact O-N 3.15Å; V421-M425 HydrophobicContact CG1-CG 4.34Å; V421-M425 HydrophobicContact CG1-SD 3.87Å; V421-M425 VanDerWaalsContact O-CG 3.25Å; V421-M425 WeakPolarHBondContact O-CG 3.31Å; V421-M425 PolarHBondContact O-N 3.35Å; V421-M449 HydrophobicContact CG2-CE 4.37Å
422C93.3Very high92.3Very high26 Ų2664.6 Ų64.618%0.17637%0.369CS..Hα-helixtrans-57.2-45.2175.2176.50000112I413 I417 S418 M425 K426I413-C422 HydrophobicContact CG2-CB 4.41Å; I417-C422 HydrophobicContact CG2-CB 4.41Å; S418-C422 PolarHBondContact O-N 3.21Å; C422-M425 PolarHBondContact O-N 3.24Å; C422-K426 WeakPolarHBondContact O-CG 3.26Å; C422-K426 PolarHBondContact O-N 3.11Å
423K93.6Very high92.5Very high144 Ų14460.7 Ų60.763%0.62635%0.345SS*.Hα-helixtrans-63.1-43.2176.1-174175.2-178.6178.40111.8P419 H420 V421 K426 I427P419-K423 VanDerWaalsContact O-CB 3.32Å; P419-K423 WeakPolarHBondContact O-CB 3.44Å; P419-K423 PolarHBondContact O-N 2.87Å; H420-K423 PolarHBondContact O-N 3.26Å; V421-K423 VanDerWaalsContact C-N 3.34Å; V421-K423 PolarHBondContact O-N 3.41Å; K423-K426 PolarHBondContact O-N 3.47Å; K423-I427 HydrophobicContact CG-CD1 3.93Å; K423-I427 WeakPolarHBondContact O-CG1 3.49Å; K423-I427 PolarHBondContact O-N 2.83Å; K423-I427 VanDerWaalsContact O-N 3.11Å
424L94.9Very high92.7Very high9 Ų962.3 Ų62.35%0.04737%0.367CS..Hα-helixtrans-60.4-48.3177.4-179.260.8000111.1L382 H420 V421 K426 I427 C428 I442 L446 M449L382-L424 HydrophobicContact CD2-CB 4.48Å; L382-L424 HydrophobicContact CD2-CD2 3.8Å; L382-L424 HydrophobicContact CD2-CG 4.05Å; H420-L424 WeakPolarHBondContact O-CB 3.21Å; H420-L424 PolarHBondContact O-N 3.24Å; V421-L424 WeakPolarHBondContact O-CB 3.27Å; V421-L424 PolarHBondContact O-N 2.84Å; V421-L424 VanDerWaalsContact O-N 3.15Å; L424-K426 PolarHBondContact O-N 2.98Å; L424-I427 PolarHBondContact O-N 3.37Å; L424-C428 PolarHBondContact O-N 3Å; L424-C428 PolarHBondContact O-SG 3.12Å; L424-I442 HydrophobicContact CD1-CB 4.2Å; L424-I442 HydrophobicContact CD1-CG2 3.83Å; L424-L446 HydrophobicContact CD2-CD2 3.76Å; L424-L446 HydrophobicContact CD2-CG 4.26Å; L424-M449 HydrophobicContact CD2-CE 4.39Å; L424-M449 HydrophobicContact CD2-SD 4.43Å
425M95.5Very high93Very high0 Ų066.2 Ų66.20%038%0.378CS..Hα-helixtrans-57.9-47.6177.6-67.6168.56800111.9L382 W383 I413 V421 C422 I427 C428 M429L382-M425 HydrophobicContact CB-CG 4.31Å; L382-M425 HydrophobicContact CD2-CG 3.54Å; L382-M425 HydrophobicContact CG-CG 3.81Å; L382-M425 HydrophobicContact CG-SD 4.34Å; W383-M425 VanDerWaalsContact CA-CE 3.41Å; W383-M425 HydrophobicContact CB-CE 3.38Å; W383-M425 VanDerWaalsContact CD1-CE 3.48Å; W383-M425 HydrophobicContact CG-CE 3.8Å; I413-M425 HydrophobicContact CD1-CB 4.03Å; I413-M425 HydrophobicContact CD1-CE 4.18Å; I413-M425 HydrophobicContact CG1-CE 4.03Å; V421-M425 HydrophobicContact CG1-CG 4.34Å; V421-M425 HydrophobicContact CG1-SD 3.87Å; V421-M425 VanDerWaalsContact O-CG 3.25Å; V421-M425 WeakPolarHBondContact O-CG 3.31Å; V421-M425 PolarHBondContact O-N 3.35Å; C422-M425 PolarHBondContact O-N 3.24Å; M425-I427 VanDerWaalsContact C-N 3.3Å; M425-I427 PolarHBondContact O-N 3.29Å; M425-C428 PolarHBondContact O-N 3.4Å; M425-M429 WeakPolarHBondContact O-CB 3.46Å; M425-M429 WeakPolarHBondContact O-CG 3.44Å; M425-M429 PolarHBondContact O-N 3.39Å
426K95Very high93.4Very high134 Ų13460.6 Ų60.658%0.58334%0.34SS*.Hα-helixtrans-60.1-38.5178.5-74.3177.2178.1179.20113I413 C422 K423 L424 N430I413-K426 HydrophobicContact CD1-CG 3.83Å; C422-K426 WeakPolarHBondContact O-CG 3.26Å; C422-K426 PolarHBondContact O-N 3.11Å; K423-K426 PolarHBondContact O-N 3.47Å; L424-K426 PolarHBondContact O-N 2.98Å; K426-N430 PolarHBondContact O-N 3.45Å
427I95.6Very high94Very high74 Ų7457.4 Ų57.438%0.37930%0.303SS..Hα-helixtrans-71.1-39.7178.4-69.9167.9000110.7K423 L424 M425 P437K423-I427 HydrophobicContact CG-CD1 3.93Å; K423-I427 WeakPolarHBondContact O-CG1 3.49Å; K423-I427 PolarHBondContact O-N 2.83Å; K423-I427 VanDerWaalsContact O-N 3.11Å; L424-I427 PolarHBondContact O-N 3.37Å; M425-I427 VanDerWaalsContact C-N 3.3Å; M425-I427 PolarHBondContact O-N 3.29Å; I427-P437 HydrophobicContact CG2-CG 3.88Å
428C96.6Very high94.4Very high0 Ų061.7 Ų61.70%032%0.321CS..Hα-helixtrans-74.2-30.4179.5-590000112.8M375 A379 L424 M425 R436M375-C428 HydrophobicContact CG-CB 3.95Å; M375-C428 HydrophobicContact SD-CB 3.9Å; A379-C428 HydrophobicContact CB-CB 3.48Å; A379-C428 VanDerWaalsContact CB-CB 3.48Å; L424-C428 PolarHBondContact O-N 3Å; L424-C428 PolarHBondContact O-SG 3.12Å; M425-C428 PolarHBondContact O-N 3.4Å; C428-R436 VanDerWaalsContact O-CD 3.31Å; C428-R436 WeakPolarHBondContact O-CD 3.29Å; C428-R436 WeakPolarHBondContact O-CG 3.33Å
429M95.3Very high94.8Very high25 Ų2560.2 Ų60.212%0.12331%0.31CS..THydrogen-bonded Turntrans-95.932.7175.4-60.2172.962.800112.9W376 A379 P411 M425 E431W376-M429 HydrophobicContact CE3-CB 4.07Å; W376-M429 HydrophobicContact CE3-CG 4.49Å; W376-M429 HydrophobicContact CH2-CB 4.33Å; W376-M429 HydrophobicContact CZ2-CE 4.19Å; W376-M429 HydrophobicContact CZ3-CB 3.97Å; W376-M429 VanDerWaalsContact CZ3-O 3.28Å; W376-M429 WeakPolarHBondContact CZ3-O 3.28Å; A379-M429 HydrophobicContact CB-CB 4.48Å; A379-M429 HydrophobicContact CB-CG 3.23Å; A379-M429 HydrophobicContact CB-SD 3.89Å; P411-M429 HydrophobicContact CB-CE 4.05Å; P411-M429 VanDerWaalsContact CD-CE 3.48Å; P411-M429 HydrophobicContact CG-CE 3.66Å; M425-M429 WeakPolarHBondContact O-CB 3.46Å; M425-M429 WeakPolarHBondContact O-CG 3.44Å; M425-M429 PolarHBondContact O-N 3.39Å; M429-E431 PolarHBondContact O-N 2.87Å
430N96Very high95Very high52 Ų5259.7 Ų59.728%0.27830%0.301SS..  trans-65.1133.4175.4-158.4-61.9000110.1K426 D432 K435 R436K426-N430 PolarHBondContact O-N 3.45Å; N430-D432 PolarHBondContact O-N 3.33Å; N430-D432 PolarHBondContact OD1-N 2.87Å; N430-K435 HydrophobicContact CB-CB 4.24Å; N430-R436 HydrophobicContact CB-CG 4Å; N430-R436 PolarHBondContact O-NE 3.04Å; N430-R436 PolarHBondContact O-NH2 3.32Å; N430-R436 VanDerWaalsContact O-NH2 3.13Å
431E93.6Very high95.2Very high101 Ų10160 Ų6047%0.47230%0.304SS..SBendtrans-59.9-31.3176.7-68.1-60.5141.600112.1R410 M429 P433R410-E431 WeakPolarHBondContact CD-OE1 3.45Å; R410-E431 IonicContact CZ-OE1 3.62Å; R410-E431 IonicContact CZ-OE2 3.59Å; R410-E431 IonicContact NE-OE1 2.88Å; R410-E431 PolarHBondContact NE-OE1 3.02Å; R410-E431 IonicContact NE-OE2 2.71Å; R410-E431 PolarHBondContact NE-OE2 3.42Å; R410-E431 IonicContact NH2-OE1 3.35Å; R410-E431 IonicContact NH2-OE2 3.61Å; R410-E431 PolarHBondContact NH2-OE2 3.04Å; M429-E431 PolarHBondContact O-N 2.87Å; E431-P433 VanDerWaalsContact O-CD 3.29Å; E431-P433 WeakPolarHBondContact O-CD 3.42Å
432D94.5Very high95.5Very high61 Ų6159.5 Ų59.533%0.32630%0.301SS..SBendtrans-84.1111.7172.9-177-8.7000110.3N430 A434 K435N430-D432 PolarHBondContact O-N 3.33Å; N430-D432 PolarHBondContact OD1-N 2.87Å; D432-A434 PolarHBondContact O-N 3.08Å; D432-A434 VanDerWaalsContact O-N 3.13Å; D432-A434 WeakPolarHBondContact OD1-CB 3.27Å; D432-A434 PolarHBondContact OD1-N 3.15Å; D432-K435 HydrophobicContact CB-CB 4.3Å; D432-K435 HydrophobicContact CB-CD 3.94Å; D432-K435 HydrophobicContact CB-CG 4.07Å; D432-K435 PolarHBondContact O-N 3.33Å; D432-K435 WeakPolarHBondContact OD2-CE 3.33Å; D432-K435 IonicContact OD2-NZ 3.69Å
433P95.1Very high95.5Very high32 Ų3259.1 Ų59.121%0.20830%0.298CS..G310 helixtrans-60.7-24.9-178.6-21.433.8000113.4E359 S372 E431 K435E359-P433 HydrophobicContact CG-CG 3.86Å; S372-P433 VanDerWaalsContact CB-O 3.26Å; S372-P433 WeakPolarHBondContact CB-O 3.41Å; S372-P433 PolarHBondContact OG-O 3.37Å; E431-P433 VanDerWaalsContact O-CD 3.29Å; E431-P433 WeakPolarHBondContact O-CD 3.42Å; P433-K435 VanDerWaalsContact C-N 3.3Å
434A95Very high95.5Very high86 Ų8655 Ų5571%0.71129%0.286SS*.G310 helixtrans-74.7-20.4179.300000113D432D432-A434 PolarHBondContact O-N 3.08Å; D432-A434 VanDerWaalsContact O-N 3.13Å; D432-A434 WeakPolarHBondContact OD1-CB 3.27Å; D432-A434 PolarHBondContact OD1-N 3.15Å
435K96.2Very high95.5Very high136 Ų13658.3 Ų58.359%0.59130%0.303SS*.G310 helixtrans-89.9-8.3178.4-67.2-179.8-173.2162.20113.5N430 D432 P433N430-K435 HydrophobicContact CB-CB 4.24Å; D432-K435 HydrophobicContact CB-CB 4.3Å; D432-K435 HydrophobicContact CB-CD 3.94Å; D432-K435 HydrophobicContact CB-CG 4.07Å; D432-K435 PolarHBondContact O-N 3.33Å; D432-K435 WeakPolarHBondContact OD2-CE 3.33Å; D432-K435 IonicContact OD2-NZ 3.69Å; P433-K435 VanDerWaalsContact C-N 3.3Å
436R97.4Very high95.4Very high13 Ų1358.4 Ų58.45%0.04930%0.304CS..SBendtrans-72.9137.5176.7-60.7-179.7-163153.19.1109.5E359 S372 M375 C428 N430E359-R436 IonicContact OE1-CZ 3.4Å; E359-R436 IonicContact OE1-NH1 3.48Å; E359-R436 PolarHBondContact OE1-NH1 2.72Å; E359-R436 IonicContact OE1-NH2 2.77Å; E359-R436 PolarHBondContact OE1-NH2 3Å; E359-R436 IonicContact OE2-CZ 3.53Å; E359-R436 IonicContact OE2-NH1 3.6Å; E359-R436 IonicContact OE2-NH2 3.43Å; E359-R436 PolarHBondContact OE2-NH2 3.18Å; S372-R436 VanDerWaalsContact O-CD 3.27Å; S372-R436 WeakPolarHBondContact O-CD 3.21Å; S372-R436 PolarHBondContact O-NH1 2.98Å; M375-R436 HydrophobicContact CG-CB 4.22Å; C428-R436 VanDerWaalsContact O-CD 3.31Å; C428-R436 WeakPolarHBondContact O-CD 3.29Å; C428-R436 WeakPolarHBondContact O-CG 3.33Å; N430-R436 HydrophobicContact CB-CG 4Å; N430-R436 PolarHBondContact O-NE 3.04Å; N430-R436 PolarHBondContact O-NH2 3.32Å; N430-R436 VanDerWaalsContact O-NH2 3.13Å
437P97.3Very high95.3Very high20 Ų2054.9 Ų54.913%0.1329%0.289CS..PPolyproline II helixtrans-70.6165179.132-35.8000110.3M375 I427 M441 I442M375-P437 HydrophobicContact CE-CG 4.32Å; M375-P437 VanDerWaalsContact CE-O 3.25Å; M375-P437 WeakPolarHBondContact CE-O 3.31Å; M375-P437 HydrophobicContact CG-CG 4.31Å; M375-P437 WeakPolarHBondContact CG-O 3.45Å; M375-P437 HydrophobicContact SD-CG 4.28Å; I427-P437 HydrophobicContact CG2-CG 3.88Å; P437-M441 HydrophobicContact CB-CB 4.31Å; P437-M441 HydrophobicContact CB-SD 4.38Å; P437-I442 HydrophobicContact CB-CG2 3.97Å; P437-I442 HydrophobicContact CG-CG2 3.68Å
438K97.1Very high95.1Very high121 Ų12158.1 Ų58.153%0.52630%0.301SS..PPolyproline II helixtrans-86.3161.4165.5-68178.8-174.3179.50110D440 M441K438-D440 VanDerWaalsContact C-N 3.33Å; K438-D440 WeakPolarHBondContact CB-OD1 3.35Å; K438-D440 PolarHBondContact O-N 3.39Å; K438-M441 HydrophobicContact CB-CG 4.49Å; K438-M441 WeakPolarHBondContact O-CB 3.38Å; K438-M441 PolarHBondContact O-N 2.77Å
439F97Very high94.7Very high2 Ų259.4 Ų59.41%0.00931%0.307CS..Hα-helixtrans-63.5-36.4-178.3-79.4-80.2000113.3A302 M305 A306 H309 D374 M375 F378 M441 I442 V443A302-F439 HydrophobicContact CB-CD1 4Å; A302-F439 HydrophobicContact CB-CE1 4.49Å; M305-F439 HydrophobicContact CB-CD1 3.75Å; M305-F439 HydrophobicContact CB-CD2 3.62Å; M305-F439 HydrophobicContact CB-CE1 3.63Å; M305-F439 HydrophobicContact CB-CE2 3.51Å; M305-F439 HydrophobicContact CB-CG 3.75Å; M305-F439 HydrophobicContact CB-CZ 3.51Å; M305-F439 HydrophobicContact CE-CE2 4.15Å; M305-F439 HydrophobicContact CG-CE1 4.03Å; M305-F439 HydrophobicContact CG-CE2 4.04Å; M305-F439 HydrophobicContact CG-CZ 3.71Å; A306-F439 HydrophobicContact CB-CB 3.69Å; H309-F439 AromaticContact CE1-CD2 3.56Å; H309-F439 AromaticContact CE1-CE2 3.54Å; H309-F439 AromaticContact ND1-CD2 3.6Å; D374-F439 HydrophobicContact CB-CE2 4.26Å; M375-F439 HydrophobicContact CE-CB 4.31Å; M375-F439 HydrophobicContact CE-CD1 3.71Å; M375-F439 HydrophobicContact CE-CD2 3.78Å; M375-F439 HydrophobicContact CE-CE1 3.88Å; M375-F439 HydrophobicContact CE-CE2 3.93Å; M375-F439 HydrophobicContact CE-CG 3.66Å; M375-F439 HydrophobicContact CE-CZ 3.98Å; M375-F439 HydrophobicContact SD-CE1 4.27Å; M375-F439 HydrophobicContact SD-CZ 4.31Å; F378-F439 HydrophobicContact CB-CE1 3.72Å; F378-F439 HydrophobicContact CB-CZ 3.69Å; F378-F439 HydrophobicContact CD1-CE1 4.15Å; F378-F439 AromaticContact CD2-CE1 3.88Å; F378-F439 HydrophobicContact CD2-CE1 3.88Å; F378-F439 AromaticContact CG-CE1 3.62Å; F378-F439 HydrophobicContact CG-CE1 3.62Å; F378-F439 HydrophobicContact CG-CZ 4.14Å; F439-M441 PolarHBondContact O-N 3.13Å; F439-I442 HydrophobicContact CD1-CD1 3.82Å; F439-I442 HydrophobicContact CD1-CG1 4.31Å; F439-I442 HydrophobicContact CE1-CD1 4.2Å; F439-I442 VanDerWaalsContact O-CG1 3.26Å; F439-I442 WeakPolarHBondContact O-CG1 3.47Å; F439-I442 PolarHBondContact O-N 3.3Å; F439-I442 VanDerWaalsContact O-N 3.11Å; F439-V443 WeakPolarHBondContact O-CG2 3.12Å; F439-V443 PolarHBondContact O-N 2.85Å
440D93.7Very high94.2Very high97 Ų9761.4 Ų61.452%0.51932%0.316SS..Hα-helixtrans-57.4-30.2173.560.7-16.2000113.5K438 P444K438-D440 VanDerWaalsContact C-N 3.33Å; K438-D440 WeakPolarHBondContact CB-OD1 3.35Å; K438-D440 PolarHBondContact O-N 3.39Å; D440-P444 WeakPolarHBondContact O-CD 3.3Å
441M95.9Very high93.1Very high114 Ų11465.7 Ų65.756%0.56234%0.339SS*.Hα-helixtrans-77.7-28.9177-61.8-179.7179.100113.2P437 K438 F439P437-M441 HydrophobicContact CB-CB 4.31Å; P437-M441 HydrophobicContact CB-SD 4.38Å; K438-M441 HydrophobicContact CB-CG 4.49Å; K438-M441 WeakPolarHBondContact O-CB 3.38Å; K438-M441 PolarHBondContact O-N 2.77Å; F439-M441 PolarHBondContact O-N 3.13Å
442I96.2Very high91.9Very high2 Ų270.3 Ų70.31%0.0136%0.357CS..Hα-helixtrans-95.5-24.3-176.163.8160.8000113.5A302 M375 F378 L424 P437 F439 I445 L446A302-I442 HydrophobicContact CB-CD1 4.18Å; M375-I442 HydrophobicContact CE-CD1 3.71Å; M375-I442 HydrophobicContact CE-CG1 4.11Å; M375-I442 HydrophobicContact SD-CD1 3.87Å; F378-I442 HydrophobicContact CD1-CD1 3.82Å; F378-I442 HydrophobicContact CE1-CD1 3.43Å; F378-I442 VanDerWaalsContact CE1-CD1 3.43Å; F378-I442 HydrophobicContact CZ-CD1 3.99Å; L424-I442 HydrophobicContact CD1-CB 4.2Å; L424-I442 HydrophobicContact CD1-CG2 3.83Å; P437-I442 HydrophobicContact CB-CG2 3.97Å; P437-I442 HydrophobicContact CG-CG2 3.68Å; F439-I442 HydrophobicContact CD1-CD1 3.82Å; F439-I442 HydrophobicContact CD1-CG1 4.31Å; F439-I442 HydrophobicContact CE1-CD1 4.2Å; F439-I442 VanDerWaalsContact O-CG1 3.26Å; F439-I442 WeakPolarHBondContact O-CG1 3.47Å; F439-I442 PolarHBondContact O-N 3.3Å; F439-I442 VanDerWaalsContact O-N 3.11Å; I442-I445 WeakPolarHBondContact O-CA 3.5Å; I442-I445 WeakPolarHBondContact O-CB 3.29Å; I442-I445 PolarHBondContact O-N 3Å; I442-L446 HydrophobicContact CD1-CD1 4.37Å; I442-L446 PolarHBondContact O-N 2.69Å
443V94.6Very high91.8Very high19 Ų1970.8 Ų70.812%0.11536%0.359CS..Hα-helixtrans-54-49.1177.4164.60000111.5L299 A302 R303 F439 I445 L446 E447L299-V443 HydrophobicContact CD1-CG1 4.06Å; A302-V443 HydrophobicContact CB-CG2 3.88Å; R303-V443 HydrophobicContact CG-CG1 4.08Å; R303-V443 HydrophobicContact CG-CG2 4.13Å; F439-V443 WeakPolarHBondContact O-CG2 3.12Å; F439-V443 PolarHBondContact O-N 2.85Å; V443-I445 PolarHBondContact O-N 3.05Å; V443-L446 PolarHBondContact O-N 3.13Å; V443-L446 VanDerWaalsContact O-N 3.12Å; V443-E447 HydrophobicContact CG1-CG 4.42Å; V443-E447 WeakPolarHBondContact O-CG 3.49Å; V443-E447 PolarHBondContact O-N 2.81Å
444P93.8Very high91.6Very high58 Ų5872.8 Ų72.838%0.37737%0.367SS..Hα-helixtrans-63.8-24.1176.8-23.434.5000114.3D440 K448D440-P444 WeakPolarHBondContact O-CD 3.3Å; P444-K448 WeakPolarHBondContact O-CG 3.38Å; P444-K448 PolarHBondContact O-N 3.15Å
445I94.3Very high91.4Very high78 Ų7872.1 Ų72.140%0.435%0.348SS..Hα-helixtrans-74-43.6176.2-57.8176.2000109.5I442 V443 K448 M449I442-I445 WeakPolarHBondContact O-CA 3.5Å; I442-I445 WeakPolarHBondContact O-CB 3.29Å; I442-I445 PolarHBondContact O-N 3Å; V443-I445 PolarHBondContact O-N 3.05Å; I445-K448 PolarHBondContact O-N 2.77Å; I445-M449 HydrophobicContact CG2-CE 4.14Å; I445-M449 HydrophobicContact CG2-SD 4.48Å; I445-M449 WeakPolarHBondContact O-CG 3.39Å; I445-M449 PolarHBondContact O-N 2.71Å; I445-M449 VanDerWaalsContact O-N 3.14Å
446L94Very high91.2Very high2 Ų268.4 Ų68.41%0.0133%0.333CS..Hα-helixtrans-67.9-37.6178-70.8166.5000112A298 L299 A302 F378 L424 I442 V443 K448 M449 Q450A298-L446 HydrophobicContact CB-CD2 4.08Å; L299-L446 HydrophobicContact CB-CB 4.16Å; L299-L446 HydrophobicContact CD1-CB 3.77Å; A302-L446 HydrophobicContact CB-CD1 3.58Å; F378-L446 HydrophobicContact CZ-CD1 3.86Å; L424-L446 HydrophobicContact CD2-CD2 3.76Å; L424-L446 HydrophobicContact CD2-CG 4.26Å; I442-L446 HydrophobicContact CD1-CD1 4.37Å; I442-L446 PolarHBondContact O-N 2.69Å; V443-L446 PolarHBondContact O-N 3.13Å; V443-L446 VanDerWaalsContact O-N 3.12Å; L446-K448 PolarHBondContact O-N 3.4Å; L446-M449 HydrophobicContact CD2-SD 4.09Å; L446-M449 WeakPolarHBondContact O-CB 3.42Å; L446-M449 PolarHBondContact O-N 3.25Å; L446-M449 VanDerWaalsContact O-N 3.09Å; L446-Q450 PolarHBondContact O-N 3.02Å
447E91.7Very high90.8Very high59 Ų5971.8 Ų71.828%0.27635%0.351SS..Hα-helixtrans-57.8-49172.9-71.8172.3161.400111L299 R303 V443 M449 Q450 D451L299-E447 HydrophobicContact CD1-CG 3.75Å; L299-E447 HydrophobicContact CD2-CG 4.01Å; R303-E447 IonicContact CZ-OE1 3.49Å; R303-E447 IonicContact NE-OE1 2.8Å; R303-E447 IonicContact NH2-OE1 3.92Å; R303-E447 PolarHBondContact NH2-OE1 2.98Å; V443-E447 HydrophobicContact CG1-CG 4.42Å; V443-E447 WeakPolarHBondContact O-CG 3.49Å; V443-E447 PolarHBondContact O-N 2.81Å; E447-M449 PolarHBondContact O-N 3.17Å; E447-Q450 WeakPolarHBondContact O-CB 3.36Å; E447-Q450 PolarHBondContact O-N 2.93Å; E447-D451 PolarHBondContact O-N 2.86Å
448K91.2Very high90.4Very high143 Ų14375.3 Ų75.362%0.62237%0.366SS*.Hα-helixtrans-64-22.5175.4-71.5175.7-178.7178.90114.3P444 I445 L446 K452P444-K448 WeakPolarHBondContact O-CG 3.38Å; P444-K448 PolarHBondContact O-N 3.15Å; I445-K448 PolarHBondContact O-N 2.77Å; L446-K448 PolarHBondContact O-N 3.4Å; K448-K452 WeakPolarHBondContact O-CG 3.2Å
449M89.2Confident89.9Confident26 Ų2672 Ų7213%0.12836%0.355CS..Hα-helixtrans-81.2-26.7173.7-72.7171.3165.500111.9V295 H420 V421 L424 I445 L446 E447V295-M449 HydrophobicContact CG1-CB 3.8Å; H420-M449 HydrophobicContact CB-CE 3.43Å; H420-M449 VanDerWaalsContact CB-CE 3.43Å; V421-M449 HydrophobicContact CG2-CE 4.37Å; L424-M449 HydrophobicContact CD2-CE 4.39Å; L424-M449 HydrophobicContact CD2-SD 4.43Å; I445-M449 HydrophobicContact CG2-CE 4.14Å; I445-M449 HydrophobicContact CG2-SD 4.48Å; I445-M449 WeakPolarHBondContact O-CG 3.39Å; I445-M449 PolarHBondContact O-N 2.71Å; I445-M449 VanDerWaalsContact O-N 3.14Å; L446-M449 HydrophobicContact CD2-SD 4.09Å; L446-M449 WeakPolarHBondContact O-CB 3.42Å; L446-M449 PolarHBondContact O-N 3.25Å; L446-M449 VanDerWaalsContact O-N 3.09Å; E447-M449 PolarHBondContact O-N 3.17Å
450Q83.6Confident89.3Confident68 Ų6877.4 Ų77.432%0.31838%0.381SS..Hα-helixtrans-76.5-32178.3-171179.124.100111.9V295 L446 E447 K452V295-Q450 HydrophobicContact CG1-CB 4.09Å; L446-Q450 PolarHBondContact O-N 3.02Å; E447-Q450 WeakPolarHBondContact O-CB 3.36Å; E447-Q450 PolarHBondContact O-N 2.93Å; Q450-K452 PolarHBondContact O-N 3.42Å
451D74.9Confident89Confident141 Ų14175.8 Ų75.875%0.75437%0.37SS*.  trans-74-10.5177.3-64.7-28.4000113.8E447E447-D451 PolarHBondContact O-N 2.86Å
452K68.2Low88.3Confident199 Ų19972.3 Ų72.387%0.86535%0.352SS*.  trans-102.90179.6-71.1-178.6178.7-171.20110.8K448 Q450K448-K452 WeakPolarHBondContact O-CG 3.2Å; Q450-K452 PolarHBondContact O-N 3.42Å

Retrieved 452 of 452 residues in 85.9 ms (Link to these results)