G4M0B9_SCHMA Loading...

Cle7, putative

AlphaFold DB , UniProt , Accession G4M0B9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 244 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
1M48.2Very low76.7Confident200 Ų20086.3 Ų86.399%0.98541%0.41SS*.  0-64.70-98.7171.7168.400112.2A3 N4 E5M1-A3 VanDerWaalsContact C-N 3.29Å; M1-A3 PolarHBondContact O-N 3.03Å; M1-A3 VanDerWaalsContact O-N 3.11Å; M1-N4 PolarHBondContact O-N 3.24Å; M1-N4 VanDerWaalsContact O-N 3.14Å; M1-E5 PolarHBondContact O-N 3.19Å
2L64.5Low77.3Confident147 Ų14787.4 Ų87.477%0.7741%0.414SS*.Hα-helixtrans-50.6-38.9-178-77.2152.1000115.7N4 R6L2-N4 PolarHBondContact O-N 3.1Å; L2-R6 PolarHBondContact O-N 3.35Å
3A70.2Confident77.7Confident47 Ų4784.2 Ų84.239%0.38841%0.406SS..Hα-helixtrans-65.6-38.4-177.500000113.1M1 L7 W80M1-A3 VanDerWaalsContact C-N 3.29Å; M1-A3 PolarHBondContact O-N 3.03Å; M1-A3 VanDerWaalsContact O-N 3.11Å; A3-L7 PolarHBondContact O-N 3.12Å; A3-W80 PolarHBondContact O-NE1 3.45Å
4N78.1Confident78Confident36 Ų3678.1 Ų78.119%0.19338%0.377CS..Hα-helixtrans-74.2-42.6178.8-89.1-27.7000111M1 L2 R6 L7 R8 D23 I24M1-N4 PolarHBondContact O-N 3.24Å; M1-N4 VanDerWaalsContact O-N 3.14Å; L2-N4 PolarHBondContact O-N 3.1Å; N4-R6 VanDerWaalsContact C-N 3.28Å; N4-R6 PolarHBondContact O-N 2.86Å; N4-L7 PolarHBondContact O-N 3.36Å; N4-L7 VanDerWaalsContact O-N 3.1Å; N4-R8 WeakPolarHBondContact O-CG 3.49Å; N4-R8 PolarHBondContact O-N 3.36Å; N4-D23 PolarHBondContact ND2-OD1 2.82Å; N4-I24 VanDerWaalsContact OD1-CB 3.32Å; N4-I24 WeakPolarHBondContact OD1-CB 3.48Å; N4-I24 VanDerWaalsContact OD1-CG2 3.25Å; N4-I24 WeakPolarHBondContact OD1-CG2 3.29Å; N4-I24 PolarHBondContact OD1-N 3.36Å
5E80.3Confident78.2Confident118 Ų11881 Ų8155%0.55140%0.395SS*.Hα-helixtrans-57.6-41.7177.3-70.6175165.800112.1M1 L7 R8 F9M1-E5 PolarHBondContact O-N 3.19Å; E5-L7 VanDerWaalsContact C-N 3.34Å; E5-L7 PolarHBondContact O-N 2.9Å; E5-R8 PolarHBondContact O-N 3.23Å; E5-F9 PolarHBondContact O-N 3.05Å
6R80.9Confident78.6Confident143 Ų14377 Ų7754%0.5438%0.375SS..Hα-helixtrans-62.2-40.2176.6-171.4175.1-177.9-178.2-1.1112.6L2 N4 K10L2-R6 PolarHBondContact O-N 3.35Å; N4-R6 VanDerWaalsContact C-N 3.28Å; N4-R6 PolarHBondContact O-N 2.86Å; R6-K10 PolarHBondContact O-N 3.39Å; R6-K10 VanDerWaalsContact O-N 3.12Å
7L83.6Confident78.6Confident0 Ų077.9 Ų77.90%039%0.388CS..Hα-helixtrans-69-41176.2-73.3176.2000111.7A3 N4 E5 F9 K10 L11 F22 I24 W80 L83 D84 L87A3-L7 PolarHBondContact O-N 3.12Å; N4-L7 PolarHBondContact O-N 3.36Å; N4-L7 VanDerWaalsContact O-N 3.1Å; E5-L7 VanDerWaalsContact C-N 3.34Å; E5-L7 PolarHBondContact O-N 2.9Å; L7-F9 VanDerWaalsContact C-N 3.3Å; L7-F9 PolarHBondContact O-N 3.25Å; L7-K10 PolarHBondContact O-N 2.85Å; L7-L11 WeakPolarHBondContact O-CB 3.34Å; L7-L11 VanDerWaalsContact O-CG 3.28Å; L7-L11 WeakPolarHBondContact O-CG 3.46Å; L7-L11 PolarHBondContact O-N 2.86Å; L7-F22 HydrophobicContact CB-CD1 4.43Å; L7-F22 HydrophobicContact CB-CE1 4.25Å; L7-F22 HydrophobicContact CD1-CE1 3.98Å; L7-I24 HydrophobicContact CD1-CD1 3.7Å; L7-I24 HydrophobicContact CD1-CG1 4.48Å; L7-W80 HydrophobicContact CD1-CG 4.22Å; L7-W80 VanDerWaalsContact CD1-NE1 3.34Å; L7-L83 HydrophobicContact CD2-CB 4.41Å; L7-D84 HydrophobicContact CD2-CB 3.99Å; L7-L87 HydrophobicContact CD2-CD1 3.74Å
8R84.2Confident78.8Confident86 Ų8677.8 Ų77.833%0.32539%0.392SS..Hα-helixtrans-59.3-42.9175.4-66.7-173179.5-169.1-6.8111.7N4 E5 L11 H12 H19 D20 F22N4-R8 WeakPolarHBondContact O-CG 3.49Å; N4-R8 PolarHBondContact O-N 3.36Å; E5-R8 PolarHBondContact O-N 3.23Å; R8-L11 PolarHBondContact O-N 3.15Å; R8-H12 WeakPolarHBondContact O-CB 3.32Å; R8-H12 PolarHBondContact O-N 3.47Å; R8-H19 VanDerWaalsContact CG-O 3.24Å; R8-H19 WeakPolarHBondContact CG-O 3.27Å; R8-D20 PolarHBondContact NH1-O 3.44Å; R8-D20 PolarHBondContact NH2-O 3.41Å; R8-F22 HydrophobicContact CG-CB 4.39Å; R8-F22 PolarHBondContact NE-O 3.19Å; R8-F22 PolarHBondContact NH2-O 2.91Å
9F83.5Confident78.9Confident145 Ų14575.8 Ų75.864%0.63638%0.381SS*.Hα-helixtrans-60.5-47.6174.9-176.2-94.4000111.8E5 L7 L11 H12 S13E5-F9 PolarHBondContact O-N 3.05Å; L7-F9 VanDerWaalsContact C-N 3.3Å; L7-F9 PolarHBondContact O-N 3.25Å; F9-L11 VanDerWaalsContact C-N 3.34Å; F9-L11 PolarHBondContact O-N 2.88Å; F9-H12 WeakPolarHBondContact O-CB 3.36Å; F9-H12 PolarHBondContact O-N 3.14Å; F9-S13 PolarHBondContact O-N 2.9Å; F9-S13 PolarHBondContact O-OG 3.21Å
10K83.7Confident78.7Confident27 Ų2777.9 Ų77.912%0.11739%0.393CS..Hα-helixtrans-62.8-39.9176.6-73.8-175.1177.5-170.60112.5R6 L7 H12 S13 V14 D84 L87 S88 L91R6-K10 PolarHBondContact O-N 3.39Å; R6-K10 VanDerWaalsContact O-N 3.12Å; L7-K10 PolarHBondContact O-N 2.85Å; K10-H12 VanDerWaalsContact C-N 3.33Å; K10-S13 WeakPolarHBondContact O-CB 3.17Å; K10-S13 PolarHBondContact O-N 3.33Å; K10-V14 PolarHBondContact O-N 3.37Å; K10-V14 VanDerWaalsContact O-N 3.1Å; K10-D84 WeakPolarHBondContact CD-OD1 3.38Å; K10-D84 VanDerWaalsContact CE-OD1 3.24Å; K10-D84 WeakPolarHBondContact CE-OD1 3.48Å; K10-D84 IonicContact NZ-OD1 2.68Å; K10-D84 PolarHBondContact NZ-OD1 2.94Å; K10-D84 IonicContact NZ-OD2 2.88Å; K10-D84 PolarHBondContact NZ-OD2 3.37Å; K10-L87 HydrophobicContact CB-CB 4.3Å; K10-L87 HydrophobicContact CB-CD1 4.11Å; K10-L87 HydrophobicContact CD-CB 4.35Å; K10-S88 PolarHBondContact NZ-OG 3.36Å; K10-L91 HydrophobicContact CG-CD1 4.48Å
11L85.9Confident78.8Confident0 Ų079.4 Ų79.40%041%0.406CS..Hα-helixtrans-62.9-39.9175.6-76.9167.1000111.8L7 R8 F9 S13 V14 N15 Y16 H19 F22 V33 L87L7-L11 WeakPolarHBondContact O-CB 3.34Å; L7-L11 VanDerWaalsContact O-CG 3.28Å; L7-L11 WeakPolarHBondContact O-CG 3.46Å; L7-L11 PolarHBondContact O-N 2.86Å; R8-L11 PolarHBondContact O-N 3.15Å; F9-L11 VanDerWaalsContact C-N 3.34Å; F9-L11 PolarHBondContact O-N 2.88Å; L11-S13 VanDerWaalsContact C-N 3.34Å; L11-V14 VanDerWaalsContact O-CG2 3.26Å; L11-V14 WeakPolarHBondContact O-CG2 3.48Å; L11-V14 PolarHBondContact O-N 3.35Å; L11-N15 PolarHBondContact O-N 3.33Å; L11-Y16 HydrophobicContact CD2-CD1 3.93Å; L11-Y16 HydrophobicContact CD2-CG 3.86Å; L11-Y16 WeakPolarHBondContact O-CB 3.4Å; L11-Y16 PolarHBondContact O-N 3.4Å; L11-H19 HydrophobicContact CB-CB 3.58Å; L11-F22 HydrophobicContact CD1-CB 3.83Å; L11-F22 HydrophobicContact CD1-CD1 3.66Å; L11-F22 HydrophobicContact CD1-CD2 3.88Å; L11-F22 HydrophobicContact CD1-CE1 4.22Å; L11-F22 HydrophobicContact CD1-CE2 4.41Å; L11-F22 HydrophobicContact CD1-CG 3.48Å; L11-F22 VanDerWaalsContact CD1-CG 3.48Å; L11-V33 HydrophobicContact CD2-CG1 3.66Å; L11-V33 HydrophobicContact CD2-CG2 4Å; L11-L87 HydrophobicContact CD2-CD1 4.2Å; L11-L87 HydrophobicContact CD2-CD2 3.63Å; L11-L87 HydrophobicContact CG-CD1 4.05Å; L11-L87 HydrophobicContact CG-CD2 4.16Å
12H84.4Confident80.4Confident100 Ų10070 Ų7046%0.46336%0.36SS..Hα-helixtrans-61.4-43.8171.7-175.182.9000110.9R8 F9 K10 V14 N15 H19R8-H12 WeakPolarHBondContact O-CB 3.32Å; R8-H12 PolarHBondContact O-N 3.47Å; F9-H12 WeakPolarHBondContact O-CB 3.36Å; F9-H12 PolarHBondContact O-N 3.14Å; K10-H12 VanDerWaalsContact C-N 3.33Å; H12-V14 VanDerWaalsContact C-N 3.28Å; H12-V14 PolarHBondContact O-N 3.18Å; H12-N15 WeakPolarHBondContact O-CA 3.3Å; H12-N15 PolarHBondContact O-N 3.42Å; H12-H19 AromaticContact CE1-NE2 3.93Å; H12-H19 AromaticContact CG-NE2 3.87Å; H12-H19 AromaticContact ND1-CD2 3.58Å; H12-H19 AromaticContact ND1-CE1 3.42Å; H12-H19 PolarHBondContact ND1-CE1 2.94Å; H12-H19 AromaticContact ND1-NE2 2.95Å; H12-H19 PolarHBondContact ND1-NE2 3.47Å
13S82.4Confident81.2Confident45 Ų4565.8 Ų65.832%0.31534%0.338SS..Hα-helixtrans-63.4-30.7179.2-52.30000113.9F9 K10 L11 N15F9-S13 PolarHBondContact O-N 2.9Å; F9-S13 PolarHBondContact O-OG 3.21Å; K10-S13 WeakPolarHBondContact O-CB 3.17Å; K10-S13 PolarHBondContact O-N 3.33Å; L11-S13 VanDerWaalsContact C-N 3.34Å; S13-N15 VanDerWaalsContact C-N 3.3Å
14V82.3Confident81.7Confident0 Ų065.1 Ų65.10%033%0.328CS..THydrogen-bonded Turntrans-89.110172.8-62.30000113K10 L11 H12 Y16 W36 L37 I41 L87 A90 L91K10-V14 PolarHBondContact O-N 3.37Å; K10-V14 VanDerWaalsContact O-N 3.1Å; L11-V14 VanDerWaalsContact O-CG2 3.26Å; L11-V14 WeakPolarHBondContact O-CG2 3.48Å; L11-V14 PolarHBondContact O-N 3.35Å; H12-V14 VanDerWaalsContact C-N 3.28Å; H12-V14 PolarHBondContact O-N 3.18Å; V14-Y16 VanDerWaalsContact C-N 3.32Å; V14-Y16 PolarHBondContact O-N 3.45Å; V14-W36 HydrophobicContact CG2-CZ3 4.32Å; V14-W36 WeakPolarHBondContact O-CH2 3.33Å; V14-L37 HydrophobicContact CG2-CD2 4.37Å; V14-I41 HydrophobicContact CB-CD1 3.94Å; V14-I41 HydrophobicContact CG1-CD1 4.25Å; V14-L87 HydrophobicContact CG2-CD2 3.85Å; V14-A90 HydrophobicContact CG1-CB 4.42Å; V14-L91 HydrophobicContact CG1-CD1 4.36Å; V14-L91 HydrophobicContact CG1-CD2 4.15Å; V14-L91 HydrophobicContact CG1-CG 3.67Å
15N81.3Confident81.8Confident121 Ų12168.1 Ų68.165%0.64735%0.351SS*.THydrogen-bonded Turntrans56.637.3-178.1-63.8-53.2000114.8L11 H12 S13L11-N15 PolarHBondContact O-N 3.33Å; H12-N15 WeakPolarHBondContact O-CA 3.3Å; H12-N15 PolarHBondContact O-N 3.42Å; S13-N15 VanDerWaalsContact C-N 3.3Å
16Y83.7Confident81.9Confident17 Ų1765.5 Ų65.57%0.06734%0.341CS..  trans-68.9130173.7-178.1-107.5000110.6L11 V14 V18 H19 V33 W36L11-Y16 HydrophobicContact CD2-CD1 3.93Å; L11-Y16 HydrophobicContact CD2-CG 3.86Å; L11-Y16 WeakPolarHBondContact O-CB 3.4Å; L11-Y16 PolarHBondContact O-N 3.4Å; V14-Y16 VanDerWaalsContact C-N 3.32Å; V14-Y16 PolarHBondContact O-N 3.45Å; Y16-V18 VanDerWaalsContact C-N 3.35Å; Y16-V18 HydrophobicContact CE1-CB 3.85Å; Y16-V18 PolarHBondContact O-N 3.47Å; Y16-H19 HydrophobicContact CD1-CB 4.37Å; Y16-H19 PolarHBondContact O-ND1 3.4Å; Y16-V33 HydrophobicContact CD1-CG2 4.36Å; Y16-V33 HydrophobicContact CE1-CG2 3.81Å; Y16-V33 HydrophobicContact CE2-CG2 4.06Å; Y16-W36 HydrophobicContact CD2-CB 4.15Å; Y16-W36 AromaticContact CD2-CD2 3.62Å; Y16-W36 HydrophobicContact CD2-CD2 3.62Å; Y16-W36 AromaticContact CD2-CE3 3.85Å; Y16-W36 HydrophobicContact CD2-CE3 3.85Å; Y16-W36 AromaticContact CD2-CG 3.73Å; Y16-W36 HydrophobicContact CD2-CG 3.73Å; Y16-W36 HydrophobicContact CE2-CB 3.8Å; Y16-W36 HydrophobicContact CE2-CD2 4.16Å; Y16-W36 AromaticContact CE2-CG 3.74Å; Y16-W36 HydrophobicContact CE2-CG 3.74Å
17P79.1Confident81.9Confident92 Ų9262.7 Ų62.760%0.59734%0.337SS*.THydrogen-bonded Turntrans-64.9-31.5-170-8.812.1000114.9
18V82.1Confident81.9Confident76 Ų7665 Ų6546%0.46135%0.351SS..THydrogen-bonded Turntrans-115.242.9-173.3-159.80000110.5Y16 D20 V21Y16-V18 VanDerWaalsContact C-N 3.35Å; Y16-V18 HydrophobicContact CE1-CB 3.85Å; Y16-V18 PolarHBondContact O-N 3.47Å; V18-D20 VanDerWaalsContact C-N 3.34Å; V18-V21 HydrophobicContact CG1-CB 4.31Å
19H79.9Confident81.9Confident41 Ų4163 Ų6319%0.1935%0.346CS..  trans-71-29.4-178.358.5-87.4000112.6R8 L11 H12 Y16 V21 F22R8-H19 VanDerWaalsContact CG-O 3.24Å; R8-H19 WeakPolarHBondContact CG-O 3.27Å; L11-H19 HydrophobicContact CB-CB 3.58Å; H12-H19 AromaticContact CE1-NE2 3.93Å; H12-H19 AromaticContact CG-NE2 3.87Å; H12-H19 AromaticContact ND1-CD2 3.58Å; H12-H19 AromaticContact ND1-CE1 3.42Å; H12-H19 PolarHBondContact ND1-CE1 2.94Å; H12-H19 AromaticContact ND1-NE2 2.95Å; H12-H19 PolarHBondContact ND1-NE2 3.47Å; Y16-H19 HydrophobicContact CD1-CB 4.37Å; Y16-H19 PolarHBondContact O-ND1 3.4Å; H19-V21 PolarHBondContact O-N 3.42Å; H19-F22 PolarHBondContact O-N 3.08Å
20D75.7Confident82Confident117 Ų11756.2 Ų56.263%0.62632%0.317SS*.THydrogen-bonded Turntrans-76.6-24.1-171.8-125.66.2000114.1R8 V18R8-D20 PolarHBondContact NH1-O 3.44Å; R8-D20 PolarHBondContact NH2-O 3.41Å; V18-D20 VanDerWaalsContact C-N 3.34Å
21V80.4Confident82.2Confident109 Ų10956.8 Ų56.866%0.66132%0.318SS*.THydrogen-bonded Turntrans-103.60.3180-1640000111.3V18 H19 D23V18-V21 HydrophobicContact CG1-CB 4.31Å; H19-V21 PolarHBondContact O-N 3.42Å; V21-D23 PolarHBondContact O-N 2.69Å
22F81.3Confident82.2Confident3 Ų359.7 Ų59.71%0.01333%0.334CS..  trans-62.6131.6-174.5-179-95.2000111.8L7 R8 L11 H19 I24 N29 V30 V33 L83L7-F22 HydrophobicContact CB-CD1 4.43Å; L7-F22 HydrophobicContact CB-CE1 4.25Å; L7-F22 HydrophobicContact CD1-CE1 3.98Å; R8-F22 HydrophobicContact CG-CB 4.39Å; R8-F22 PolarHBondContact NE-O 3.19Å; R8-F22 PolarHBondContact NH2-O 2.91Å; L11-F22 HydrophobicContact CD1-CB 3.83Å; L11-F22 HydrophobicContact CD1-CD1 3.66Å; L11-F22 HydrophobicContact CD1-CD2 3.88Å; L11-F22 HydrophobicContact CD1-CE1 4.22Å; L11-F22 HydrophobicContact CD1-CE2 4.41Å; L11-F22 HydrophobicContact CD1-CG 3.48Å; L11-F22 VanDerWaalsContact CD1-CG 3.48Å; H19-F22 PolarHBondContact O-N 3.08Å; F22-I24 HydrophobicContact CE1-CB 4.49Å; F22-I24 HydrophobicContact CE1-CD1 4.37Å; F22-I24 HydrophobicContact CZ-CD1 4.3Å; F22-N29 HydrophobicContact CD2-CB 4.14Å; F22-N29 HydrophobicContact CE2-CB 4.1Å; F22-V30 HydrophobicContact CZ-CG2 4.22Å; F22-V33 HydrophobicContact CD2-CG2 3.81Å; F22-V33 HydrophobicContact CE2-CB 4.5Å; F22-V33 HydrophobicContact CE2-CG2 3.6Å; F22-L83 HydrophobicContact CZ-CD1 3.77Å
23D81.5Confident82.4Confident58 Ų5854.9 Ų54.931%0.3131%0.312SS..  trans-133130.2171.5-171.29.4000109.8N4 V21 S25 D26N4-D23 PolarHBondContact ND2-OD1 2.82Å; V21-D23 PolarHBondContact O-N 2.69Å; D23-S25 PolarHBondContact O-N 3.22Å; D23-S25 PolarHBondContact OD1-N 2.9Å; D23-D26 PolarHBondContact O-N 3.5Å
24I81.7Confident82.6Confident33 Ų3352.9 Ų52.917%0.16930%0.297CS..THydrogen-bonded Turntrans-64.6-24.9178.7-163.473.9000112.5N4 L7 F22 D26 V30 W80 L83N4-I24 VanDerWaalsContact OD1-CB 3.32Å; N4-I24 WeakPolarHBondContact OD1-CB 3.48Å; N4-I24 VanDerWaalsContact OD1-CG2 3.25Å; N4-I24 WeakPolarHBondContact OD1-CG2 3.29Å; N4-I24 PolarHBondContact OD1-N 3.36Å; L7-I24 HydrophobicContact CD1-CD1 3.7Å; L7-I24 HydrophobicContact CD1-CG1 4.48Å; F22-I24 HydrophobicContact CE1-CB 4.49Å; F22-I24 HydrophobicContact CE1-CD1 4.37Å; F22-I24 HydrophobicContact CZ-CD1 4.3Å; I24-D26 VanDerWaalsContact C-N 3.25Å; I24-D26 PolarHBondContact O-N 3.3Å; I24-V30 HydrophobicContact CD1-CG2 4.14Å; I24-W80 HydrophobicContact CD1-CB 4.24Å; I24-W80 HydrophobicContact CG1-CB 4.16Å; I24-L83 HydrophobicContact CD1-CB 4.4Å; I24-L83 HydrophobicContact CD1-CD1 3.49Å; I24-L83 VanDerWaalsContact CD1-CD1 3.49Å
25S79.6Confident82.9Confident99 Ų9954.1 Ų54.169%0.69231%0.305SS*.THydrogen-bonded Turntrans-71.5-19.9-179.4-66.70000113.2D23 L27D23-S25 PolarHBondContact O-N 3.22Å; D23-S25 PolarHBondContact OD1-N 2.9Å; S25-L27 PolarHBondContact O-N 3.42Å
26D82.3Confident83.2Confident63 Ų6350.8 Ų50.834%0.33728%0.283SS..  trans-92.1102.1174.4-175.3-0.8000110.6D23 I24 T28 N29 V30D23-D26 PolarHBondContact O-N 3.5Å; I24-D26 VanDerWaalsContact C-N 3.25Å; I24-D26 PolarHBondContact O-N 3.3Å; D26-T28 PolarHBondContact O-N 3.46Å; D26-T28 VanDerWaalsContact O-N 3.15Å; D26-T28 WeakPolarHBondContact OD1-CB 3.42Å; D26-T28 PolarHBondContact OD1-N 2.89Å; D26-T28 PolarHBondContact OD1-OG1 2.99Å; D26-N29 HydrophobicContact CB-CB 4.18Å; D26-N29 WeakPolarHBondContact O-CB 3.29Å; D26-N29 PolarHBondContact O-N 3.43Å; D26-N29 PolarHBondContact OD2-ND2 3.48Å; D26-V30 PolarHBondContact O-N 2.91Å; D26-V30 VanDerWaalsContact O-N 3.12Å
27L81.3Confident83.3Confident85 Ų8550 Ų5045%0.44528%0.28SS..Hα-helixtrans-53.5-32.4175.5-93.2154.1000112.6S25 V30 R31S25-L27 PolarHBondContact O-N 3.42Å; L27-V30 PolarHBondContact O-N 2.94Å; L27-R31 WeakPolarHBondContact O-CB 3.33Å; L27-R31 WeakPolarHBondContact O-CG 3.29Å; L27-R31 PolarHBondContact O-N 3.41Å
28T83.9Confident83.7Confident49 Ų4945.8 Ų45.830%0.30125%0.252SS..Hα-helixtrans-65.3-43.6178.9-43.10000110.7D26 R31 N32 V54D26-T28 PolarHBondContact O-N 3.46Å; D26-T28 VanDerWaalsContact O-N 3.15Å; D26-T28 WeakPolarHBondContact OD1-CB 3.42Å; D26-T28 PolarHBondContact OD1-N 2.89Å; D26-T28 PolarHBondContact OD1-OG1 2.99Å; T28-R31 PolarHBondContact O-N 3Å; T28-N32 VanDerWaalsContact O-CG 3.31Å; T28-N32 PolarHBondContact O-N 3.34Å; T28-N32 PolarHBondContact O-ND2 3Å; T28-V54 HydrophobicContact CG2-CG1 3.75Å
29N84.8Confident83.7Confident42 Ų4244.2 Ų44.223%0.22524%0.242CC..Hα-helixtrans-66-41.8176.9-76.5-29.9000111.9F22 D26 R31 N32 V33F22-N29 HydrophobicContact CD2-CB 4.14Å; F22-N29 HydrophobicContact CE2-CB 4.1Å; D26-N29 HydrophobicContact CB-CB 4.18Å; D26-N29 WeakPolarHBondContact O-CB 3.29Å; D26-N29 PolarHBondContact O-N 3.43Å; D26-N29 PolarHBondContact OD2-ND2 3.48Å; N29-R31 VanDerWaalsContact C-N 3.31Å; N29-R31 PolarHBondContact O-N 3.36Å; N29-N32 PolarHBondContact O-N 2.85Å; N29-V33 WeakPolarHBondContact O-CG2 3.38Å; N29-V33 PolarHBondContact O-N 3.23Å
30V85.3Confident83.8Confident3 Ų349.7 Ų49.72%0.01826%0.261CS..Hα-helixtrans-56.4-48.3175.2168.80000111F22 I24 D26 L27 V33 I34 L83F22-V30 HydrophobicContact CZ-CG2 4.22Å; I24-V30 HydrophobicContact CD1-CG2 4.14Å; D26-V30 PolarHBondContact O-N 2.91Å; D26-V30 VanDerWaalsContact O-N 3.12Å; L27-V30 PolarHBondContact O-N 2.94Å; V30-V33 PolarHBondContact O-N 2.95Å; V30-I34 HydrophobicContact CG1-CD1 3.87Å; V30-I34 WeakPolarHBondContact O-CG1 3.49Å; V30-I34 PolarHBondContact O-N 3.31Å; V30-L83 HydrophobicContact CB-CD1 3.88Å; V30-L83 HydrophobicContact CG1-CD1 3.46Å; V30-L83 VanDerWaalsContact CG1-CD1 3.46Å; V30-L83 HydrophobicContact CG1-CG 4.25Å; V30-L83 HydrophobicContact CG2-CD1 3.59Å
31R87.5Confident84Confident40 Ų4045.3 Ų45.315%0.15124%0.237CC..Hα-helixtrans-64.7-42.3179.9-68.3179.2-180-171.8-3.9111.8L27 T28 N29 V33 I34 V35 V54 W59 E76L27-R31 WeakPolarHBondContact O-CB 3.33Å; L27-R31 WeakPolarHBondContact O-CG 3.29Å; L27-R31 PolarHBondContact O-N 3.41Å; T28-R31 PolarHBondContact O-N 3Å; N29-R31 VanDerWaalsContact C-N 3.31Å; N29-R31 PolarHBondContact O-N 3.36Å; R31-V33 VanDerWaalsContact C-N 3.31Å; R31-V33 PolarHBondContact O-N 3.41Å; R31-I34 PolarHBondContact O-N 2.95Å; R31-I34 VanDerWaalsContact O-N 3.14Å; R31-V35 WeakPolarHBondContact O-CG2 3.49Å; R31-V35 PolarHBondContact O-N 3.03Å; R31-V54 HydrophobicContact CB-CB 4.36Å; R31-V54 HydrophobicContact CB-CG1 3.47Å; R31-V54 VanDerWaalsContact CB-CG1 3.47Å; R31-V54 HydrophobicContact CB-CG2 4.28Å; R31-V54 WeakPolarHBondContact CD-O 3.3Å; R31-V54 HydrophobicContact CG-CG1 4.25Å; R31-V54 PolarHBondContact NH1-O 2.97Å; R31-W59 HydrophobicContact CB-CZ2 4.02Å; R31-W59 HydrophobicContact CG-CD2 4.32Å; R31-W59 HydrophobicContact CG-CG 4.42Å; R31-W59 HydrophobicContact CG-CZ2 4.22Å; R31-W59 VanDerWaalsContact CG-NE1 3.32Å; R31-W59 VanDerWaalsContact CZ-CD1 3.45Å; R31-E76 IonicContact NH2-OE1 3.67Å
32N86.9Confident84.2Confident60 Ų6041 Ų4132%0.32121%0.21SC..Hα-helixtrans-57.4-43.4174.5-77.3-30.2000112.1T28 N29 V35 W36 V54T28-N32 VanDerWaalsContact O-CG 3.31Å; T28-N32 PolarHBondContact O-N 3.34Å; T28-N32 PolarHBondContact O-ND2 3Å; N29-N32 PolarHBondContact O-N 2.85Å; N32-V35 PolarHBondContact O-N 3.45Å; N32-W36 WeakPolarHBondContact O-CB 3.39Å; N32-W36 PolarHBondContact O-N 3.49Å; N32-V54 WeakPolarHBondContact OD1-CG2 3.34Å
33V86.9Confident84.2Confident0 Ų048.1 Ų48.10%024%0.236CC..Hα-helixtrans-62.4-44.1176171.30000110.9L11 Y16 F22 N29 V30 R31 W36 L37 L83L11-V33 HydrophobicContact CD2-CG1 3.66Å; L11-V33 HydrophobicContact CD2-CG2 4Å; Y16-V33 HydrophobicContact CD1-CG2 4.36Å; Y16-V33 HydrophobicContact CE1-CG2 3.81Å; Y16-V33 HydrophobicContact CE2-CG2 4.06Å; F22-V33 HydrophobicContact CD2-CG2 3.81Å; F22-V33 HydrophobicContact CE2-CB 4.5Å; F22-V33 HydrophobicContact CE2-CG2 3.6Å; N29-V33 WeakPolarHBondContact O-CG2 3.38Å; N29-V33 PolarHBondContact O-N 3.23Å; V30-V33 PolarHBondContact O-N 2.95Å; R31-V33 VanDerWaalsContact C-N 3.31Å; R31-V33 PolarHBondContact O-N 3.41Å; V33-W36 PolarHBondContact O-N 3.26Å; V33-L37 HydrophobicContact CG1-CD1 3.83Å; V33-L37 HydrophobicContact CG1-CG 4.13Å; V33-L37 WeakPolarHBondContact O-CB 3.47Å; V33-L37 VanDerWaalsContact O-CG 3.29Å; V33-L37 WeakPolarHBondContact O-CG 3.48Å; V33-L37 PolarHBondContact O-N 2.89Å; V33-L83 HydrophobicContact CB-CD2 4.16Å; V33-L83 HydrophobicContact CG1-CD2 3.52Å
34I87.6Confident84Confident3 Ų347.4 Ų47.42%0.01524%0.239CC..Hα-helixtrans-62.9-46179.4-66.6164.3000111V30 R31 W36 L37 E38 L63 Y66 M82 L86V30-I34 HydrophobicContact CG1-CD1 3.87Å; V30-I34 WeakPolarHBondContact O-CG1 3.49Å; V30-I34 PolarHBondContact O-N 3.31Å; R31-I34 PolarHBondContact O-N 2.95Å; R31-I34 VanDerWaalsContact O-N 3.14Å; I34-W36 VanDerWaalsContact C-N 3.28Å; I34-W36 PolarHBondContact O-N 2.91Å; I34-L37 PolarHBondContact O-N 3.08Å; I34-E38 WeakPolarHBondContact O-CB 3.45Å; I34-E38 PolarHBondContact O-N 2.94Å; I34-L63 HydrophobicContact CD1-CD1 3.92Å; I34-L63 HydrophobicContact CG2-CD1 4.46Å; I34-Y66 HydrophobicContact CG2-CD1 4.17Å; I34-Y66 HydrophobicContact CG2-CE1 3.83Å; I34-M82 HydrophobicContact CD1-CE 4.34Å; I34-L86 HydrophobicContact CG1-CD1 4.11Å
35V87.4Confident83.8Confident26 Ų2646.7 Ų46.716%0.15824%0.235CC..Hα-helixtrans-55.6-47.5174.51740000110.4R31 N32 E38 D39 R52 V54 W59R31-V35 WeakPolarHBondContact O-CG2 3.49Å; R31-V35 PolarHBondContact O-N 3.03Å; N32-V35 PolarHBondContact O-N 3.45Å; V35-E38 PolarHBondContact O-N 2.98Å; V35-D39 PolarHBondContact O-N 2.92Å; V35-R52 HydrophobicContact CG1-CG 4.29Å; V35-V54 HydrophobicContact CG2-CG2 4.31Å; V35-W59 HydrophobicContact CG2-CH2 3.33Å; V35-W59 HydrophobicContact CG2-CZ2 4.13Å; V35-W59 HydrophobicContact CG2-CZ3 4.08Å
36W88.4Confident83.7Confident51 Ų5145.6 Ų45.619%0.19323%0.226CC..Hα-helixtrans-65.5-45.6-177.4-172.896.1000112.3V14 Y16 N32 V33 I34 E38 D39 R40 I41V14-W36 HydrophobicContact CG2-CZ3 4.32Å; V14-W36 WeakPolarHBondContact O-CH2 3.33Å; Y16-W36 HydrophobicContact CD2-CB 4.15Å; Y16-W36 AromaticContact CD2-CD2 3.62Å; Y16-W36 HydrophobicContact CD2-CD2 3.62Å; Y16-W36 AromaticContact CD2-CE3 3.85Å; Y16-W36 HydrophobicContact CD2-CE3 3.85Å; Y16-W36 AromaticContact CD2-CG 3.73Å; Y16-W36 HydrophobicContact CD2-CG 3.73Å; Y16-W36 HydrophobicContact CE2-CB 3.8Å; Y16-W36 HydrophobicContact CE2-CD2 4.16Å; Y16-W36 AromaticContact CE2-CG 3.74Å; Y16-W36 HydrophobicContact CE2-CG 3.74Å; N32-W36 WeakPolarHBondContact O-CB 3.39Å; N32-W36 PolarHBondContact O-N 3.49Å; V33-W36 PolarHBondContact O-N 3.26Å; I34-W36 VanDerWaalsContact C-N 3.28Å; I34-W36 PolarHBondContact O-N 2.91Å; W36-E38 VanDerWaalsContact C-N 3.25Å; W36-E38 PolarHBondContact O-N 3.16Å; W36-D39 PolarHBondContact O-N 3.31Å; W36-R40 HydrophobicContact CD2-CG 4.25Å; W36-R40 HydrophobicContact CH2-CB 4.43Å; W36-R40 HydrophobicContact CZ2-CB 4.43Å; W36-R40 HydrophobicContact CZ2-CG 4.16Å; W36-R40 WeakPolarHBondContact O-CB 3.32Å; W36-R40 WeakPolarHBondContact O-CG 3.44Å; W36-R40 PolarHBondContact O-N 2.99Å; W36-I41 HydrophobicContact CH2-CD1 4.13Å; W36-I41 HydrophobicContact CZ3-CD1 3.68Å; W36-I41 HydrophobicContact CZ3-CG1 4.27Å
37L86.7Confident83.3Confident0 Ų045 Ų450%023%0.229CC..Hα-helixtrans-59.5-40.7176.3-73.9175.5000110.9V14 V33 I34 I41 I42 L86 L87 A90V14-L37 HydrophobicContact CG2-CD2 4.37Å; V33-L37 HydrophobicContact CG1-CD1 3.83Å; V33-L37 HydrophobicContact CG1-CG 4.13Å; V33-L37 WeakPolarHBondContact O-CB 3.47Å; V33-L37 VanDerWaalsContact O-CG 3.29Å; V33-L37 WeakPolarHBondContact O-CG 3.48Å; V33-L37 PolarHBondContact O-N 2.89Å; I34-L37 PolarHBondContact O-N 3.08Å; L37-I41 HydrophobicContact CD2-CD1 4.13Å; L37-I41 CarbonylContact O-C 3.59Å; L37-I41 WeakPolarHBondContact O-CA 3.39Å; L37-I41 PolarHBondContact O-N 2.98Å; L37-I42 HydrophobicContact CB-CD1 4.14Å; L37-I42 PolarHBondContact O-N 3.39Å; L37-L86 HydrophobicContact CD1-CB 4.28Å; L37-L87 HydrophobicContact CD1-CD2 3.9Å; L37-L87 HydrophobicContact CD1-CG 4.19Å; L37-L87 HydrophobicContact CD2-CD2 3.99Å; L37-L87 HydrophobicContact CG-CD2 4.46Å; L37-A90 HydrophobicContact CD2-CB 3.73Å
38E86Confident83Confident3 Ų348.7 Ų48.71%0.01424%0.244CC..Iπ-helixtrans-71.7-43.3-179.1-176.554.2-162.700112.9I34 V35 W36 I42 R43 A44 L45 R50 Y66I34-E38 WeakPolarHBondContact O-CB 3.45Å; I34-E38 PolarHBondContact O-N 2.94Å; V35-E38 PolarHBondContact O-N 2.98Å; W36-E38 VanDerWaalsContact C-N 3.25Å; W36-E38 PolarHBondContact O-N 3.16Å; E38-I42 WeakPolarHBondContact OE2-CB 3.5Å; E38-I42 VanDerWaalsContact OE2-CG2 3.32Å; E38-I42 WeakPolarHBondContact OE2-CG2 3.44Å; E38-R43 VanDerWaalsContact O-CA 3.3Å; E38-R43 WeakPolarHBondContact O-CA 3.31Å; E38-R43 WeakPolarHBondContact O-CG 3.39Å; E38-R43 PolarHBondContact O-N 2.96Å; E38-R43 WeakPolarHBondContact OE1-CA 3.22Å; E38-R43 PolarHBondContact OE2-N 3.37Å; E38-A44 PolarHBondContact OE1-N 3.39Å; E38-A44 PolarHBondContact OE2-N 3.48Å; E38-L45 PolarHBondContact OE1-N 2.89Å; E38-R50 HydrophobicContact CG-CG 4.23Å; E38-R50 IonicContact OE1-NE 3.67Å; E38-Y66 HydrophobicContact CB-CE2 4.36Å; E38-Y66 HydrophobicContact CG-CE2 3.88Å; E38-Y66 WeakPolarHBondContact OE2-CE2 3.5Å; E38-Y66 VanDerWaalsContact OE2-CZ 3.29Å; E38-Y66 PolarHBondContact OE2-OH 2.93Å
39D83.7Confident82.7Confident44 Ų4448.7 Ų48.724%0.23525%0.249CC..Iπ-helixtrans-69.5-35.3179-99.9-17.5000112V35 W36 R43 R50 R52V35-D39 PolarHBondContact O-N 2.92Å; W36-D39 PolarHBondContact O-N 3.31Å; D39-R43 PolarHBondContact O-NE 2.76Å; D39-R50 WeakPolarHBondContact OD1-CD 3.39Å; D39-R50 IonicContact OD1-CZ 2.86Å; D39-R50 IonicContact OD1-NE 3.93Å; D39-R50 IonicContact OD1-NH1 3.69Å; D39-R50 PolarHBondContact OD1-NH1 3.2Å; D39-R52 IonicContact OD1-NH2 3.52Å; D39-R52 IonicContact OD2-CZ 3.68Å; D39-R52 IonicContact OD2-NE 3.02Å; D39-R52 PolarHBondContact OD2-NE 3.35Å; D39-R52 IonicContact OD2-NH2 3.41Å; D39-R52 PolarHBondContact OD2-NH2 2.91Å
40R80.4Confident82.5Confident156 Ų15648.9 Ų48.959%0.58925%0.247SC*.Iπ-helixtrans-95.7-46.5-173.2-61.2-134.483.3176.44.9114.3W36 R43W36-R40 HydrophobicContact CD2-CG 4.25Å; W36-R40 HydrophobicContact CH2-CB 4.43Å; W36-R40 HydrophobicContact CZ2-CB 4.43Å; W36-R40 HydrophobicContact CZ2-CG 4.16Å; W36-R40 WeakPolarHBondContact O-CB 3.32Å; W36-R40 WeakPolarHBondContact O-CG 3.44Å; W36-R40 PolarHBondContact O-N 2.99Å; R40-R43 PolarHBondContact O-NE 3.35Å; R40-R43 VanDerWaalsContact O-NE 3.16Å; R40-R43 PolarHBondContact O-NH2 2.91Å
41I80.4Confident82.2Confident25 Ų2550.7 Ų50.713%0.12826%0.256CS..Iπ-helixtrans-114.4-59.8-163.9-54177.7000112V14 W36 L37 A90 L93 E94V14-I41 HydrophobicContact CB-CD1 3.94Å; V14-I41 HydrophobicContact CG1-CD1 4.25Å; W36-I41 HydrophobicContact CH2-CD1 4.13Å; W36-I41 HydrophobicContact CZ3-CD1 3.68Å; W36-I41 HydrophobicContact CZ3-CG1 4.27Å; L37-I41 HydrophobicContact CD2-CD1 4.13Å; L37-I41 CarbonylContact O-C 3.59Å; L37-I41 WeakPolarHBondContact O-CA 3.39Å; L37-I41 PolarHBondContact O-N 2.98Å; I41-A90 HydrophobicContact CB-CB 4.27Å; I41-A90 HydrophobicContact CD1-CB 4.16Å; I41-A90 HydrophobicContact CG2-CB 3.82Å; I41-A90 WeakPolarHBondContact CG2-O 3.38Å; I41-L93 HydrophobicContact CG2-CB 4.16Å; I41-E94 HydrophobicContact CD1-CG 4.23Å; I41-E94 HydrophobicContact CG1-CG 4.44Å; I41-E94 HydrophobicContact CG2-CG 4.05Å
42I84Confident81.8Confident17 Ų1755.9 Ų55.99%0.08728%0.276CS..Iπ-helixtrans-72.5-47-168.9-62.2174.6000111.2L37 E38 A44 Y66 V70 L86 A90 L93L37-I42 HydrophobicContact CB-CD1 4.14Å; L37-I42 PolarHBondContact O-N 3.39Å; E38-I42 WeakPolarHBondContact OE2-CB 3.5Å; E38-I42 VanDerWaalsContact OE2-CG2 3.32Å; E38-I42 WeakPolarHBondContact OE2-CG2 3.44Å; I42-A44 HydrophobicContact CG2-CB 3.9Å; I42-A44 PolarHBondContact O-N 3.25Å; I42-Y66 WeakPolarHBondContact CD1-OH 3.37Å; I42-V70 HydrophobicContact CG2-CG1 4.37Å; I42-V70 HydrophobicContact CG2-CG2 4.3Å; I42-L86 HydrophobicContact CD1-CD2 4.11Å; I42-A90 HydrophobicContact CD1-CB 4.46Å; I42-A90 HydrophobicContact CG1-CB 4.2Å; I42-L93 HydrophobicContact CB-CD1 4.45Å; I42-L93 HydrophobicContact CG1-CD1 4.31Å
43R81.6Confident81.4Confident153 Ų15357.4 Ų57.458%0.57728%0.284SS*.  trans43.639.7176.8-59.3-178-174.3167.416.3113.9E38 D39 R40 L45E38-R43 VanDerWaalsContact O-CA 3.3Å; E38-R43 WeakPolarHBondContact O-CA 3.31Å; E38-R43 WeakPolarHBondContact O-CG 3.39Å; E38-R43 PolarHBondContact O-N 2.96Å; E38-R43 WeakPolarHBondContact OE1-CA 3.22Å; E38-R43 PolarHBondContact OE2-N 3.37Å; D39-R43 PolarHBondContact O-NE 2.76Å; R40-R43 PolarHBondContact O-NE 3.35Å; R40-R43 VanDerWaalsContact O-NE 3.16Å; R40-R43 PolarHBondContact O-NH2 2.91Å; R43-L45 VanDerWaalsContact C-N 3.31Å
44A77.7Confident80.9Confident43 Ų4358 Ų5836%0.35529%0.288SS..  trans-73.8-26.5179.200000112.4E38 I42 V70E38-A44 PolarHBondContact OE1-N 3.39Å; E38-A44 PolarHBondContact OE2-N 3.48Å; I42-A44 HydrophobicContact CG2-CB 3.9Å; I42-A44 PolarHBondContact O-N 3.25Å; A44-V70 HydrophobicContact CB-CG2 3.72Å
45L78.5Confident80.3Confident19 Ų1964.3 Ų64.310%0.09932%0.317CS..SBendtrans-101.3144.3175.8-67.7171.2000110.8E38 R43 R50 Y62 Y66 T69E38-L45 PolarHBondContact OE1-N 2.89Å; R43-L45 VanDerWaalsContact C-N 3.31Å; L45-R50 HydrophobicContact CB-CG 4.2Å; L45-R50 PolarHBondContact O-NE 3.39Å; L45-R50 PolarHBondContact O-NH2 3.39Å; L45-Y62 HydrophobicContact CD1-CE2 3.63Å; L45-Y62 VanDerWaalsContact CD1-OH 3.25Å; L45-Y62 WeakPolarHBondContact CD1-OH 3.36Å; L45-Y66 HydrophobicContact CD1-CD2 3.52Å; L45-Y66 HydrophobicContact CD1-CE2 4.3Å; L45-Y66 HydrophobicContact CD1-CG 4.35Å; L45-Y66 HydrophobicContact CG-CD2 4.04Å; L45-T69 HydrophobicContact CD2-CG2 4.22Å
46P75.9Confident79.9Confident76 Ų7664.3 Ų64.349%0.49432%0.318SS..  trans-68.2154.5172.734.7-37.9000110E48 A49P46-E48 VanDerWaalsContact CB-OE2 3.25Å; P46-E48 WeakPolarHBondContact CB-OE2 3.36Å; P46-E48 PolarHBondContact O-N 3Å; P46-A49 HydrophobicContact CG-CB 4.06Å; P46-A49 PolarHBondContact O-N 3.18Å
47A74.9Confident79.4Confident49 Ų4970.4 Ų70.441%0.40535%0.353SS..G310 helixtrans-61.6-25.3-16300000113.7
48E75.2Confident79.2Confident164 Ų16477.1 Ų77.177%0.76639%0.385SS*.G310 helixtrans-79.6-25.4-177.6-38.471.2-149.100111.3P46P46-E48 VanDerWaalsContact CB-OE2 3.25Å; P46-E48 WeakPolarHBondContact CB-OE2 3.36Å; P46-E48 PolarHBondContact O-N 3Å
49A77.9Confident79.1Confident48 Ų4877 Ų7740%0.39738%0.384SS..G310 helixtrans-88.8-2179.900000112.9P46 L51 Y62P46-A49 HydrophobicContact CG-CB 4.06Å; P46-A49 PolarHBondContact O-N 3.18Å; A49-L51 PolarHBondContact O-N 3.27Å; A49-Y62 WeakPolarHBondContact O-CE2 3.47Å
50R80.6Confident79Confident46 Ų4677.9 Ų77.917%0.17439%0.391CS..  trans-83.9115.8-176.6-65.1-178.7-164140.89.5111.2E38 D39 L45 R52E38-R50 HydrophobicContact CG-CG 4.23Å; E38-R50 IonicContact OE1-NE 3.67Å; D39-R50 WeakPolarHBondContact OD1-CD 3.39Å; D39-R50 IonicContact OD1-CZ 2.86Å; D39-R50 IonicContact OD1-NE 3.93Å; D39-R50 IonicContact OD1-NH1 3.69Å; D39-R50 PolarHBondContact OD1-NH1 3.2Å; L45-R50 HydrophobicContact CB-CG 4.2Å; L45-R50 PolarHBondContact O-NE 3.39Å; L45-R50 PolarHBondContact O-NH2 3.39Å; R50-R52 PolarHBondContact O-N 2.85Å
51L77.5Confident79.2Confident41 Ų4174.8 Ų74.822%0.21539%0.393CS..  trans-78.2114.4173.9-164.468.6000108.4A49 W59 Y62A49-L51 PolarHBondContact O-N 3.27Å; L51-W59 HydrophobicContact CB-CE3 4.27Å; L51-W59 HydrophobicContact CB-CH2 4.49Å; L51-W59 HydrophobicContact CB-CZ3 3.78Å; L51-W59 HydrophobicContact CD2-CB 4.41Å; L51-W59 HydrophobicContact CD2-CD2 4.16Å; L51-W59 HydrophobicContact CD2-CE3 3.33Å; L51-W59 HydrophobicContact CD2-CZ3 3.75Å; L51-W59 HydrophobicContact CG-CE3 3.79Å; L51-W59 HydrophobicContact CG-CZ3 3.7Å; L51-W59 VanDerWaalsContact O-CH2 3.27Å; L51-W59 WeakPolarHBondContact O-CH2 3.48Å; L51-W59 WeakPolarHBondContact O-CZ3 3.48Å; L51-Y62 HydrophobicContact CB-CD1 3.62Å; L51-Y62 HydrophobicContact CB-CD2 3.85Å; L51-Y62 HydrophobicContact CB-CE1 3.75Å; L51-Y62 HydrophobicContact CB-CE2 4Å; L51-Y62 HydrophobicContact CB-CG 3.66Å; L51-Y62 HydrophobicContact CD2-CD1 4.05Å; L51-Y62 HydrophobicContact CD2-CG 3.91Å; L51-Y62 HydrophobicContact CG-CD1 4.48Å; L51-Y62 HydrophobicContact CG-CG 4.44Å
52R79.2Confident79.5Confident150 Ų15075.1 Ų75.157%0.56639%0.393SS*.  trans-96.5-17.7175.4-64.4-174.2179.3114.26.7113V35 D39 R50 V54V35-R52 HydrophobicContact CG1-CG 4.29Å; D39-R52 IonicContact OD1-NH2 3.52Å; D39-R52 IonicContact OD2-CZ 3.68Å; D39-R52 IonicContact OD2-NE 3.02Å; D39-R52 PolarHBondContact OD2-NE 3.35Å; D39-R52 IonicContact OD2-NH2 3.41Å; D39-R52 PolarHBondContact OD2-NH2 2.91Å; R50-R52 PolarHBondContact O-N 2.85Å; R52-V54 PolarHBondContact O-N 2.86Å
53D78.4Confident79.5Confident92 Ų9274.4 Ų74.449%0.49239%0.39SS..  trans-79.8100.1-179.7-174.4-0.2000110.7Q55 S56D53-Q55 PolarHBondContact O-N 3.37Å; D53-Q55 PolarHBondContact OD1-N 3.47Å; D53-S56 WeakPolarHBondContact O-CB 3.33Å; D53-S56 PolarHBondContact O-N 3.26Å
54V77.5Confident79.7Confident13 Ų1370.8 Ų70.88%0.07938%0.382CS..THydrogen-bonded Turntrans-67.6-22-177.5175.40000113.1T28 R31 N32 V35 R52T28-V54 HydrophobicContact CG2-CG1 3.75Å; R31-V54 HydrophobicContact CB-CB 4.36Å; R31-V54 HydrophobicContact CB-CG1 3.47Å; R31-V54 VanDerWaalsContact CB-CG1 3.47Å; R31-V54 HydrophobicContact CB-CG2 4.28Å; R31-V54 WeakPolarHBondContact CD-O 3.3Å; R31-V54 HydrophobicContact CG-CG1 4.25Å; R31-V54 PolarHBondContact NH1-O 2.97Å; N32-V54 WeakPolarHBondContact OD1-CG2 3.34Å; V35-V54 HydrophobicContact CG2-CG2 4.31Å; R52-V54 PolarHBondContact O-N 2.86Å
55Q75Confident80.1Confident134 Ų13475.6 Ų75.663%0.62640%0.395SS*.THydrogen-bonded Turntrans-95.1-2.1-178.7-62.7-63-22.700112.9D53 L57D53-Q55 PolarHBondContact O-N 3.37Å; D53-Q55 PolarHBondContact OD1-N 3.47Å; Q55-L57 PolarHBondContact O-N 2.98Å
56S78.5Confident80.4Confident26 Ų2674.8 Ų74.818%0.18239%0.39CS..  trans-63.5137.5179.5178.50000112D53 E58 W59D53-S56 WeakPolarHBondContact O-CB 3.33Å; D53-S56 PolarHBondContact O-N 3.26Å; S56-E58 PolarHBondContact O-N 2.91Å; S56-E58 PolarHBondContact OG-N 3.38Å; S56-W59 VanDerWaalsContact O-CB 3.24Å; S56-W59 WeakPolarHBondContact O-CB 3.34Å; S56-W59 PolarHBondContact O-N 3.2Å
57L77.8Confident80.9Confident180 Ų18071.4 Ų71.494%0.94237%0.368SS*.THydrogen-bonded Turntrans-64.4-22.1172.9-75.7146000112.2Q55 W59Q55-L57 PolarHBondContact O-N 2.98Å; L57-W59 PolarHBondContact O-N 2.95Å
58E82Confident81.4Confident141 Ų14176.5 Ų76.566%0.65938%0.384SS*.THydrogen-bonded Turntrans-80.1-4178-60.3-166.6166.600113.3S56 T60 S61 Y62S56-E58 PolarHBondContact O-N 2.91Å; S56-E58 PolarHBondContact OG-N 3.38Å; E58-T60 VanDerWaalsContact C-N 3.32Å; E58-T60 PolarHBondContact O-N 3.33Å; E58-S61 WeakPolarHBondContact O-CB 3.37Å; E58-S61 PolarHBondContact O-N 3.5Å; E58-S61 VanDerWaalsContact O-N 3.11Å; E58-Y62 PolarHBondContact O-N 3.36Å
59W83.8Confident81.8Confident1 Ų172 Ų720%0.00437%0.367CS..Hα-helixtrans-55.9-43.4-174.1-170.3-87.2000113.3R31 V35 L51 S56 L57 S61 Y62 L63R31-W59 HydrophobicContact CB-CZ2 4.02Å; R31-W59 HydrophobicContact CG-CD2 4.32Å; R31-W59 HydrophobicContact CG-CG 4.42Å; R31-W59 HydrophobicContact CG-CZ2 4.22Å; R31-W59 VanDerWaalsContact CG-NE1 3.32Å; R31-W59 VanDerWaalsContact CZ-CD1 3.45Å; V35-W59 HydrophobicContact CG2-CH2 3.33Å; V35-W59 HydrophobicContact CG2-CZ2 4.13Å; V35-W59 HydrophobicContact CG2-CZ3 4.08Å; L51-W59 HydrophobicContact CB-CE3 4.27Å; L51-W59 HydrophobicContact CB-CH2 4.49Å; L51-W59 HydrophobicContact CB-CZ3 3.78Å; L51-W59 HydrophobicContact CD2-CB 4.41Å; L51-W59 HydrophobicContact CD2-CD2 4.16Å; L51-W59 HydrophobicContact CD2-CE3 3.33Å; L51-W59 HydrophobicContact CD2-CZ3 3.75Å; L51-W59 HydrophobicContact CG-CE3 3.79Å; L51-W59 HydrophobicContact CG-CZ3 3.7Å; L51-W59 VanDerWaalsContact O-CH2 3.27Å; L51-W59 WeakPolarHBondContact O-CH2 3.48Å; L51-W59 WeakPolarHBondContact O-CZ3 3.48Å; S56-W59 VanDerWaalsContact O-CB 3.24Å; S56-W59 WeakPolarHBondContact O-CB 3.34Å; S56-W59 PolarHBondContact O-N 3.2Å; L57-W59 PolarHBondContact O-N 2.95Å; W59-S61 VanDerWaalsContact C-N 3.31Å; W59-S61 PolarHBondContact O-N 3.28Å; W59-Y62 HydrophobicContact CE3-CD1 4.5Å; W59-Y62 HydrophobicContact CH2-CD1 4.13Å; W59-Y62 AromaticContact CH2-CE1 3.99Å; W59-Y62 HydrophobicContact CH2-CE1 3.99Å; W59-Y62 HydrophobicContact CZ2-CD1 4.29Å; W59-Y62 HydrophobicContact CZ2-CE1 4.33Å; W59-Y62 HydrophobicContact CZ3-CD1 4.29Å; W59-Y62 HydrophobicContact CZ3-CE1 4.44Å; W59-Y62 PolarHBondContact O-N 3.43Å; W59-L63 VanDerWaalsContact O-CB 3.28Å; W59-L63 WeakPolarHBondContact O-CB 3.28Å; W59-L63 PolarHBondContact O-N 2.97Å
60T82.5Confident82.1Confident61 Ų6169.8 Ų69.837%0.37435%0.349SS..Hα-helixtrans-64.7-36.3-178.6-55.30000112E58 N64 E76E58-T60 VanDerWaalsContact C-N 3.32Å; E58-T60 PolarHBondContact O-N 3.33Å; T60-N64 PolarHBondContact O-N 2.87Å; T60-N64 PolarHBondContact O-ND2 3.38Å; T60-N64 VanDerWaalsContact O-ND2 3.11Å; T60-E76 WeakPolarHBondContact CG2-OE2 3.37Å
61S84.9Confident82.2Confident91 Ų9176 Ų7664%0.63638%0.377SS*.Hα-helixtrans-69.4-45.8175.4-174.50000110.9E58 W59 L63 N64 K65E58-S61 WeakPolarHBondContact O-CB 3.37Å; E58-S61 PolarHBondContact O-N 3.5Å; E58-S61 VanDerWaalsContact O-N 3.11Å; W59-S61 VanDerWaalsContact C-N 3.31Å; W59-S61 PolarHBondContact O-N 3.28Å; S61-L63 PolarHBondContact O-N 3.48Å; S61-N64 PolarHBondContact O-N 3.03Å; S61-K65 PolarHBondContact O-N 2.89Å; S61-K65 VanDerWaalsContact O-N 3.14Å
62Y85.6Confident82.4Confident33 Ų3374.8 Ų74.813%0.12937%0.372CS..Hα-helixtrans-57.4-47.6174.8171.3-104.1000112L45 A49 L51 E58 W59 N64 K65 Y66L45-Y62 HydrophobicContact CD1-CE2 3.63Å; L45-Y62 VanDerWaalsContact CD1-OH 3.25Å; L45-Y62 WeakPolarHBondContact CD1-OH 3.36Å; A49-Y62 WeakPolarHBondContact O-CE2 3.47Å; L51-Y62 HydrophobicContact CB-CD1 3.62Å; L51-Y62 HydrophobicContact CB-CD2 3.85Å; L51-Y62 HydrophobicContact CB-CE1 3.75Å; L51-Y62 HydrophobicContact CB-CE2 4Å; L51-Y62 HydrophobicContact CB-CG 3.66Å; L51-Y62 HydrophobicContact CD2-CD1 4.05Å; L51-Y62 HydrophobicContact CD2-CG 3.91Å; L51-Y62 HydrophobicContact CG-CD1 4.48Å; L51-Y62 HydrophobicContact CG-CG 4.44Å; E58-Y62 PolarHBondContact O-N 3.36Å; W59-Y62 HydrophobicContact CE3-CD1 4.5Å; W59-Y62 HydrophobicContact CH2-CD1 4.13Å; W59-Y62 AromaticContact CH2-CE1 3.99Å; W59-Y62 HydrophobicContact CH2-CE1 3.99Å; W59-Y62 HydrophobicContact CZ2-CD1 4.29Å; W59-Y62 HydrophobicContact CZ2-CE1 4.33Å; W59-Y62 HydrophobicContact CZ3-CD1 4.29Å; W59-Y62 HydrophobicContact CZ3-CE1 4.44Å; W59-Y62 PolarHBondContact O-N 3.43Å; Y62-N64 PolarHBondContact O-N 2.61Å; Y62-K65 PolarHBondContact O-N 2.73Å; Y62-Y66 WeakPolarHBondContact O-CB 3.5Å; Y62-Y66 PolarHBondContact O-N 3.19Å
63L84.7Confident82.5Confident2 Ų272.1 Ų72.11%0.0137%0.374CS..Hα-helixtrans-60-45-179.4-178.264.9000111.4I34 W59 S61 K65 Y66 L67 E76 M82I34-L63 HydrophobicContact CD1-CD1 3.92Å; I34-L63 HydrophobicContact CG2-CD1 4.46Å; W59-L63 VanDerWaalsContact O-CB 3.28Å; W59-L63 WeakPolarHBondContact O-CB 3.28Å; W59-L63 PolarHBondContact O-N 2.97Å; S61-L63 PolarHBondContact O-N 3.48Å; L63-K65 PolarHBondContact O-N 3.29Å; L63-Y66 HydrophobicContact CD1-CD1 4.4Å; L63-Y66 WeakPolarHBondContact O-CB 3.35Å; L63-Y66 PolarHBondContact O-N 3.43Å; L63-L67 HydrophobicContact CD1-CD1 4.16Å; L63-L67 HydrophobicContact CD1-CG 4.16Å; L63-L67 HydrophobicContact CG-CD1 3.86Å; L63-L67 HydrophobicContact CG-CG 4.3Å; L63-L67 WeakPolarHBondContact O-CB 3.38Å; L63-L67 WeakPolarHBondContact O-CG 3.33Å; L63-L67 PolarHBondContact O-N 3.24Å; L63-E76 HydrophobicContact CD2-CB 4.05Å; L63-E76 HydrophobicContact CD2-CG 4.03Å; L63-M82 HydrophobicContact CD1-SD 4.28Å; L63-M82 HydrophobicContact CD2-CE 4.42Å; L63-M82 HydrophobicContact CD2-SD 4.22Å
64N85.5Confident82.8Confident77 Ų7771.6 Ų71.641%0.41237%0.367SS..Hα-helixtrans-62.4-43.1177.5-79.7-43.5000112.1T60 S61 Y62 Y66 L67 Q68T60-N64 PolarHBondContact O-N 2.87Å; T60-N64 PolarHBondContact O-ND2 3.38Å; T60-N64 VanDerWaalsContact O-ND2 3.11Å; S61-N64 PolarHBondContact O-N 3.03Å; Y62-N64 PolarHBondContact O-N 2.61Å; N64-Y66 VanDerWaalsContact C-N 3.33Å; N64-Y66 PolarHBondContact O-N 2.95Å; N64-L67 PolarHBondContact O-N 3.33Å; N64-Q68 WeakPolarHBondContact O-CG 3.33Å; N64-Q68 PolarHBondContact O-N 2.95Å
65K85.5Confident82.9Confident144 Ų14474.4 Ų74.463%0.62638%0.382SS*.Hα-helixtrans-64.3-39.9175.9-169178-177.6179.90111.6S61 Y62 L63 T69S61-K65 PolarHBondContact O-N 2.89Å; S61-K65 VanDerWaalsContact O-N 3.14Å; Y62-K65 PolarHBondContact O-N 2.73Å; L63-K65 PolarHBondContact O-N 3.29Å; K65-T69 PolarHBondContact O-N 3.26Å; K65-T69 PolarHBondContact O-OG1 3.48Å
66Y86.1Confident83.1Confident1 Ų170.4 Ų70.40%0.00436%0.363CS..Hα-helixtrans-61.6-52175.6173.8-114.4000111.4I34 E38 I42 L45 Y62 L63 N64 Q68 T69 V70 L86I34-Y66 HydrophobicContact CG2-CD1 4.17Å; I34-Y66 HydrophobicContact CG2-CE1 3.83Å; E38-Y66 HydrophobicContact CB-CE2 4.36Å; E38-Y66 HydrophobicContact CG-CE2 3.88Å; E38-Y66 WeakPolarHBondContact OE2-CE2 3.5Å; E38-Y66 VanDerWaalsContact OE2-CZ 3.29Å; E38-Y66 PolarHBondContact OE2-OH 2.93Å; I42-Y66 WeakPolarHBondContact CD1-OH 3.37Å; L45-Y66 HydrophobicContact CD1-CD2 3.52Å; L45-Y66 HydrophobicContact CD1-CE2 4.3Å; L45-Y66 HydrophobicContact CD1-CG 4.35Å; L45-Y66 HydrophobicContact CG-CD2 4.04Å; Y62-Y66 WeakPolarHBondContact O-CB 3.5Å; Y62-Y66 PolarHBondContact O-N 3.19Å; L63-Y66 HydrophobicContact CD1-CD1 4.4Å; L63-Y66 WeakPolarHBondContact O-CB 3.35Å; L63-Y66 PolarHBondContact O-N 3.43Å; N64-Y66 VanDerWaalsContact C-N 3.33Å; N64-Y66 PolarHBondContact O-N 2.95Å; Y66-Q68 VanDerWaalsContact C-N 3.3Å; Y66-Q68 PolarHBondContact O-N 3.44Å; Y66-T69 WeakPolarHBondContact O-CA 3.43Å; Y66-T69 WeakPolarHBondContact O-CB 3.37Å; Y66-T69 PolarHBondContact O-N 3.31Å; Y66-V70 HydrophobicContact CD2-CG2 3.78Å; Y66-V70 HydrophobicContact CE1-CG2 4.14Å; Y66-V70 HydrophobicContact CE2-CG2 3.31Å; Y66-V70 HydrophobicContact CG-CG2 4.39Å; Y66-V70 WeakPolarHBondContact O-CG2 3.46Å; Y66-V70 PolarHBondContact O-N 3.48Å; Y66-L86 HydrophobicContact CE1-CD1 4.4Å; Y66-L86 HydrophobicContact CE1-CD2 4.18Å
67L85.9Confident83Confident6 Ų674.4 Ų74.43%0.03139%0.391CS..Hα-helixtrans-60.4-39-179.8-68.4169.3000112L63 N64 V70 K71 C72 M82 L86L63-L67 HydrophobicContact CD1-CD1 4.16Å; L63-L67 HydrophobicContact CD1-CG 4.16Å; L63-L67 HydrophobicContact CG-CD1 3.86Å; L63-L67 HydrophobicContact CG-CG 4.3Å; L63-L67 WeakPolarHBondContact O-CB 3.38Å; L63-L67 WeakPolarHBondContact O-CG 3.33Å; L63-L67 PolarHBondContact O-N 3.24Å; N64-L67 PolarHBondContact O-N 3.33Å; L67-V70 PolarHBondContact O-N 2.96Å; L67-K71 WeakPolarHBondContact O-CA 3.13Å; L67-K71 PolarHBondContact O-N 3.13Å; L67-C72 HydrophobicContact CB-CB 4.17Å; L67-C72 HydrophobicContact CD2-CB 3.59Å; L67-C72 HydrophobicContact CG-CB 4.48Å; L67-C72 PolarHBondContact O-N 2.88Å; L67-M82 HydrophobicContact CD1-CG 4.49Å; L67-M82 HydrophobicContact CD1-SD 3.63Å; L67-M82 HydrophobicContact CD2-CG 3.84Å; L67-M82 HydrophobicContact CD2-SD 3.83Å; L67-M82 HydrophobicContact CG-SD 4.31Å; L67-L86 HydrophobicContact CD2-CD1 4.28Å
68Q85.1Confident83.3Confident156 Ų15668.6 Ų68.673%0.72937%0.366SS*.Hα-helixtrans-61.9-45172.2-76.2-176.5-8.500112.2N64 Y66 V70 K71N64-Q68 WeakPolarHBondContact O-CG 3.33Å; N64-Q68 PolarHBondContact O-N 2.95Å; Y66-Q68 VanDerWaalsContact C-N 3.3Å; Y66-Q68 PolarHBondContact O-N 3.44Å; Q68-V70 VanDerWaalsContact C-N 3.34Å; Q68-V70 PolarHBondContact O-N 3.35Å; Q68-K71 PolarHBondContact O-N 3.29Å; Q68-K71 VanDerWaalsContact O-N 3.08Å
69T84.5Confident83.3Confident68 Ų6863 Ų6342%0.41734%0.342SS..Hα-helixtrans-61.8-43.6178.5-530000111.3L45 K65 Y66 K71L45-T69 HydrophobicContact CD2-CG2 4.22Å; K65-T69 PolarHBondContact O-N 3.26Å; K65-T69 PolarHBondContact O-OG1 3.48Å; Y66-T69 WeakPolarHBondContact O-CA 3.43Å; Y66-T69 WeakPolarHBondContact O-CB 3.37Å; Y66-T69 PolarHBondContact O-N 3.31Å; T69-K71 PolarHBondContact O-N 2.91Å
70V83.2Confident83.4Confident3 Ų366.7 Ų66.72%0.01836%0.356CS..Hα-helixtrans-77.5-8.9178.6-173.40000111.8I42 A44 Y66 L67 Q68 C72 W85 L86 K89I42-V70 HydrophobicContact CG2-CG1 4.37Å; I42-V70 HydrophobicContact CG2-CG2 4.3Å; A44-V70 HydrophobicContact CB-CG2 3.72Å; Y66-V70 HydrophobicContact CD2-CG2 3.78Å; Y66-V70 HydrophobicContact CE1-CG2 4.14Å; Y66-V70 HydrophobicContact CE2-CG2 3.31Å; Y66-V70 HydrophobicContact CG-CG2 4.39Å; Y66-V70 WeakPolarHBondContact O-CG2 3.46Å; Y66-V70 PolarHBondContact O-N 3.48Å; L67-V70 PolarHBondContact O-N 2.96Å; Q68-V70 VanDerWaalsContact C-N 3.34Å; Q68-V70 PolarHBondContact O-N 3.35Å; V70-C72 VanDerWaalsContact C-N 3.33Å; V70-W85 HydrophobicContact CG1-CH2 4.21Å; V70-W85 HydrophobicContact CG1-CZ3 3.82Å; V70-L86 HydrophobicContact CG1-CD2 4.12Å; V70-K89 HydrophobicContact CG1-CD 3.68Å; V70-K89 VanDerWaalsContact CG1-NZ 3.31Å; V70-K89 PolarHBondContact O-NZ 3.34Å
71K83.8Confident83.5Confident177 Ų17764.9 Ų64.977%0.7735%0.348SS*.THydrogen-bonded Turntrans57.840.6-174.4-57-179.2177.5179.90113L67 Q68 T69L67-K71 WeakPolarHBondContact O-CA 3.13Å; L67-K71 PolarHBondContact O-N 3.13Å; Q68-K71 PolarHBondContact O-N 3.29Å; Q68-K71 VanDerWaalsContact O-N 3.08Å; T69-K71 PolarHBondContact O-N 2.91Å
72C81.4Confident83.6Confident15 Ų1560.6 Ų60.610%0.10132%0.317CS..  trans-74.6131.1172.7-174.20000109.8L67 V70 F74 W85L67-C72 HydrophobicContact CB-CB 4.17Å; L67-C72 HydrophobicContact CD2-CB 3.59Å; L67-C72 HydrophobicContact CG-CB 4.48Å; L67-C72 PolarHBondContact O-N 2.88Å; V70-C72 VanDerWaalsContact C-N 3.33Å; C72-F74 VanDerWaalsContact C-N 3.28Å; C72-F74 PolarHBondContact O-N 2.98Å; C72-W85 HydrophobicContact CB-CE3 3.76Å; C72-W85 HydrophobicContact CB-CH2 4.1Å; C72-W85 HydrophobicContact CB-CZ3 3.53Å
73P80.4Confident83.7Confident94 Ų9459 Ų5961%0.6131%0.311SS*.SBendtrans-79.6-7.5179.630.9-33.8000113.9
74F84.7Confident83.8Confident80 Ų8060 Ų6035%0.35132%0.316SS..  trans-106.3159.7-175.3-53.7-68.1000112.1C72 A81 M82 W85C72-F74 VanDerWaalsContact C-N 3.28Å; C72-F74 PolarHBondContact O-N 2.98Å; F74-A81 HydrophobicContact CD1-CB 3.92Å; F74-A81 HydrophobicContact CD2-CB 4.22Å; F74-A81 HydrophobicContact CE1-CB 4.07Å; F74-A81 HydrophobicContact CE2-CB 4.36Å; F74-A81 HydrophobicContact CG-CB 4Å; F74-A81 HydrophobicContact CZ-CB 4.29Å; F74-M82 HydrophobicContact CB-CB 3.95Å; F74-W85 HydrophobicContact CD2-CB 3.88Å; F74-W85 HydrophobicContact CD2-CG 4.17Å; F74-W85 HydrophobicContact CE2-CB 3.88Å; F74-W85 AromaticContact CE2-CD1 3.88Å; F74-W85 HydrophobicContact CE2-CG 4.03Å
75N79.7Confident84Confident73 Ų7359.7 Ų59.739%0.3931%0.31SS..  trans-119.6176.917960.322.7000111.7S77 S78N75-S77 PolarHBondContact O-N 3.34Å; N75-S77 VanDerWaalsContact OD1-CB 3.23Å; N75-S77 WeakPolarHBondContact OD1-CB 3.36Å; N75-S77 PolarHBondContact OD1-N 2.97Å; N75-S77 PolarHBondContact OD1-OG 2.74Å; N75-S78 CarbonylContact O-C 3.45Å; N75-S78 PolarHBondContact O-N 3.24Å; N75-S78 PolarHBondContact OD1-N 2.88Å
76E78.6Confident84.2Confident49 Ų4952.9 Ų52.923%0.22928%0.28CS..G310 helixtrans-59.2-29.1179.4-162.9170.7-16400112.6R31 T60 L63 S78 C79R31-E76 IonicContact NH2-OE1 3.67Å; T60-E76 WeakPolarHBondContact CG2-OE2 3.37Å; L63-E76 HydrophobicContact CD2-CB 4.05Å; L63-E76 HydrophobicContact CD2-CG 4.03Å; E76-S78 VanDerWaalsContact C-N 3.25Å; E76-S78 PolarHBondContact O-N 2.89Å; E76-C79 WeakPolarHBondContact O-CB 3.47Å; E76-C79 PolarHBondContact O-N 3.43Å
77S77.8Confident84.3Confident110 Ų11052.9 Ų52.977%0.76928%0.28SS*.G310 helixtrans-62.4-32.1176.1-33.30000112.7N75N75-S77 PolarHBondContact O-N 3.34Å; N75-S77 VanDerWaalsContact OD1-CB 3.23Å; N75-S77 WeakPolarHBondContact OD1-CB 3.36Å; N75-S77 PolarHBondContact OD1-N 2.97Å; N75-S77 PolarHBondContact OD1-OG 2.74Å
78S82.7Confident84.3Confident59 Ų5954.7 Ų54.741%0.41329%0.293SS..G310 helixtrans-104.553.6174.3-60.60000110.5N75 E76 W80 A81 M82N75-S78 CarbonylContact O-C 3.45Å; N75-S78 PolarHBondContact O-N 3.24Å; N75-S78 PolarHBondContact OD1-N 2.88Å; E76-S78 VanDerWaalsContact C-N 3.25Å; E76-S78 PolarHBondContact O-N 2.89Å; S78-W80 VanDerWaalsContact C-N 3.26Å; S78-W80 PolarHBondContact O-N 3.2Å; S78-W80 VanDerWaalsContact O-N 3.13Å; S78-A81 PolarHBondContact O-N 2.85Å; S78-M82 PolarHBondContact O-N 3.44Å
79C83Confident84.3Confident24 Ų2450.3 Ų50.316%0.16227%0.272CS..Hα-helixtrans-50.2-44.3-169.3-147.10000113.5E76 L83E76-C79 WeakPolarHBondContact O-CB 3.47Å; E76-C79 PolarHBondContact O-N 3.43Å; C79-L83 WeakPolarHBondContact O-CB 3.32Å; C79-L83 PolarHBondContact O-N 2.88Å
80W85.8Confident84.5Confident77 Ų7747.1 Ų47.129%0.29225%0.252SS..Hα-helixtrans-61.2-50177.1-174.889.5000112.9A3 L7 I24 S78 M82 L83 D84A3-W80 PolarHBondContact O-NE1 3.45Å; L7-W80 HydrophobicContact CD1-CG 4.22Å; L7-W80 VanDerWaalsContact CD1-NE1 3.34Å; I24-W80 HydrophobicContact CD1-CB 4.24Å; I24-W80 HydrophobicContact CG1-CB 4.16Å; S78-W80 VanDerWaalsContact C-N 3.26Å; S78-W80 PolarHBondContact O-N 3.2Å; S78-W80 VanDerWaalsContact O-N 3.13Å; W80-M82 VanDerWaalsContact C-N 3.33Å; W80-M82 PolarHBondContact O-N 3.47Å; W80-L83 PolarHBondContact O-N 3.24Å; W80-D84 HydrophobicContact CE3-CB 4.41Å; W80-D84 HydrophobicContact CH2-CB 4.17Å; W80-D84 HydrophobicContact CZ2-CB 4.39Å; W80-D84 HydrophobicContact CZ3-CB 4.19Å; W80-D84 WeakPolarHBondContact O-CB 3.47Å; W80-D84 PolarHBondContact O-N 2.79Å
81A84.2Confident84.5Confident24 Ų2449.6 Ų49.620%0.19827%0.265CS..Hα-helixtrans-66.6-38.1-177.300000111.6F74 S78 W85F74-A81 HydrophobicContact CD1-CB 3.92Å; F74-A81 HydrophobicContact CD2-CB 4.22Å; F74-A81 HydrophobicContact CE1-CB 4.07Å; F74-A81 HydrophobicContact CE2-CB 4.36Å; F74-A81 HydrophobicContact CG-CB 4Å; F74-A81 HydrophobicContact CZ-CB 4.29Å; S78-A81 PolarHBondContact O-N 2.85Å; A81-W85 VanDerWaalsContact O-CB 3.25Å; A81-W85 WeakPolarHBondContact O-CB 3.43Å; A81-W85 PolarHBondContact O-N 3.18Å
82M88Confident84.6Confident0 Ų046 Ų460%025%0.253CS..Hα-helixtrans-58.3-51.3173173.7-174.854.900111.2I34 L63 L67 F74 S78 W80 W85 L86I34-M82 HydrophobicContact CD1-CE 4.34Å; L63-M82 HydrophobicContact CD1-SD 4.28Å; L63-M82 HydrophobicContact CD2-CE 4.42Å; L63-M82 HydrophobicContact CD2-SD 4.22Å; L67-M82 HydrophobicContact CD1-CG 4.49Å; L67-M82 HydrophobicContact CD1-SD 3.63Å; L67-M82 HydrophobicContact CD2-CG 3.84Å; L67-M82 HydrophobicContact CD2-SD 3.83Å; L67-M82 HydrophobicContact CG-SD 4.31Å; F74-M82 HydrophobicContact CB-CB 3.95Å; S78-M82 PolarHBondContact O-N 3.44Å; W80-M82 VanDerWaalsContact C-N 3.33Å; W80-M82 PolarHBondContact O-N 3.47Å; M82-W85 PolarHBondContact O-N 2.67Å; M82-L86 HydrophobicContact CG-CD1 4.07Å; M82-L86 WeakPolarHBondContact O-CG 3.42Å; M82-L86 PolarHBondContact O-N 3.43Å
83L87.4Confident84.6Confident0 Ų048.1 Ų48.10%026%0.264CS..Hα-helixtrans-64.5-44.4179.7-111158.9000112.5L7 F22 I24 V30 V33 C79 W80 W85 L86 L87L7-L83 HydrophobicContact CD2-CB 4.41Å; F22-L83 HydrophobicContact CZ-CD1 3.77Å; I24-L83 HydrophobicContact CD1-CB 4.4Å; I24-L83 HydrophobicContact CD1-CD1 3.49Å; I24-L83 VanDerWaalsContact CD1-CD1 3.49Å; V30-L83 HydrophobicContact CB-CD1 3.88Å; V30-L83 HydrophobicContact CG1-CD1 3.46Å; V30-L83 VanDerWaalsContact CG1-CD1 3.46Å; V30-L83 HydrophobicContact CG1-CG 4.25Å; V30-L83 HydrophobicContact CG2-CD1 3.59Å; V33-L83 HydrophobicContact CB-CD2 4.16Å; V33-L83 HydrophobicContact CG1-CD2 3.52Å; C79-L83 WeakPolarHBondContact O-CB 3.32Å; C79-L83 PolarHBondContact O-N 2.88Å; W80-L83 PolarHBondContact O-N 3.24Å; L83-W85 VanDerWaalsContact C-N 3.26Å; L83-W85 PolarHBondContact O-N 2.86Å; L83-L86 PolarHBondContact O-N 3.23Å; L83-L87 HydrophobicContact CD2-CD1 4.21Å; L83-L87 HydrophobicContact CD2-CG 4.49Å; L83-L87 WeakPolarHBondContact O-CB 3.42Å; L83-L87 WeakPolarHBondContact O-CG 3.46Å; L83-L87 PolarHBondContact O-N 2.89Å
84D86.9Confident84.6Confident22 Ų2246.9 Ų46.912%0.11825%0.25CC..Hα-helixtrans-59.7-41178.5-16869.1000111.3L7 K10 W80 S88L7-D84 HydrophobicContact CD2-CB 3.99Å; K10-D84 WeakPolarHBondContact CD-OD1 3.38Å; K10-D84 VanDerWaalsContact CE-OD1 3.24Å; K10-D84 WeakPolarHBondContact CE-OD1 3.48Å; K10-D84 IonicContact NZ-OD1 2.68Å; K10-D84 PolarHBondContact NZ-OD1 2.94Å; K10-D84 IonicContact NZ-OD2 2.88Å; K10-D84 PolarHBondContact NZ-OD2 3.37Å; W80-D84 HydrophobicContact CE3-CB 4.41Å; W80-D84 HydrophobicContact CH2-CB 4.17Å; W80-D84 HydrophobicContact CZ2-CB 4.39Å; W80-D84 HydrophobicContact CZ3-CB 4.19Å; W80-D84 WeakPolarHBondContact O-CB 3.47Å; W80-D84 PolarHBondContact O-N 2.79Å; D84-S88 WeakPolarHBondContact O-CB 3.29Å; D84-S88 PolarHBondContact O-N 2.84Å; D84-S88 PolarHBondContact O-OG 3.36Å
85W90.1Very high84.2Confident72 Ų7248.9 Ų48.927%0.27326%0.256SS..Hα-helixtrans-68.2-45.8177.1-171.792.7000112.1V70 C72 F74 A81 M82 L83 L87 S88 K89V70-W85 HydrophobicContact CG1-CH2 4.21Å; V70-W85 HydrophobicContact CG1-CZ3 3.82Å; C72-W85 HydrophobicContact CB-CE3 3.76Å; C72-W85 HydrophobicContact CB-CH2 4.1Å; C72-W85 HydrophobicContact CB-CZ3 3.53Å; F74-W85 HydrophobicContact CD2-CB 3.88Å; F74-W85 HydrophobicContact CD2-CG 4.17Å; F74-W85 HydrophobicContact CE2-CB 3.88Å; F74-W85 AromaticContact CE2-CD1 3.88Å; F74-W85 HydrophobicContact CE2-CG 4.03Å; A81-W85 VanDerWaalsContact O-CB 3.25Å; A81-W85 WeakPolarHBondContact O-CB 3.43Å; A81-W85 PolarHBondContact O-N 3.18Å; M82-W85 PolarHBondContact O-N 2.67Å; L83-W85 VanDerWaalsContact C-N 3.26Å; L83-W85 PolarHBondContact O-N 2.86Å; W85-L87 PolarHBondContact O-N 3.2Å; W85-S88 PolarHBondContact O-N 3.1Å; W85-K89 HydrophobicContact CH2-CD 3.57Å; W85-K89 HydrophobicContact CZ2-CD 4.37Å; W85-K89 HydrophobicContact CZ3-CB 4.45Å; W85-K89 HydrophobicContact CZ3-CD 3.66Å; W85-K89 WeakPolarHBondContact O-CB 3.46Å; W85-K89 PolarHBondContact O-N 3.45Å
86L88.7Confident83.9Confident1 Ų148.6 Ų48.61%0.00525%0.254CS..Hα-helixtrans-61.2-43.3177.3-74.3171.8000111.8I34 L37 I42 Y66 L67 V70 M82 L83 S88 K89 A90I34-L86 HydrophobicContact CG1-CD1 4.11Å; L37-L86 HydrophobicContact CD1-CB 4.28Å; I42-L86 HydrophobicContact CD1-CD2 4.11Å; Y66-L86 HydrophobicContact CE1-CD1 4.4Å; Y66-L86 HydrophobicContact CE1-CD2 4.18Å; L67-L86 HydrophobicContact CD2-CD1 4.28Å; V70-L86 HydrophobicContact CG1-CD2 4.12Å; M82-L86 HydrophobicContact CG-CD1 4.07Å; M82-L86 WeakPolarHBondContact O-CG 3.42Å; M82-L86 PolarHBondContact O-N 3.43Å; L83-L86 PolarHBondContact O-N 3.23Å; L86-S88 VanDerWaalsContact C-N 3.35Å; L86-S88 PolarHBondContact O-N 3.29Å; L86-K89 PolarHBondContact O-N 2.89Å; L86-A90 WeakPolarHBondContact O-CB 3.21Å; L86-A90 PolarHBondContact O-N 3.4Å
87L88.9Confident83.5Confident0 Ų049.9 Ų49.90%027%0.269CS..Hα-helixtrans-62.9-41.9175.5-75.8165.4000111.9L7 K10 L11 V14 L37 L83 W85 K89 A90 L91L7-L87 HydrophobicContact CD2-CD1 3.74Å; K10-L87 HydrophobicContact CB-CB 4.3Å; K10-L87 HydrophobicContact CB-CD1 4.11Å; K10-L87 HydrophobicContact CD-CB 4.35Å; L11-L87 HydrophobicContact CD2-CD1 4.2Å; L11-L87 HydrophobicContact CD2-CD2 3.63Å; L11-L87 HydrophobicContact CG-CD1 4.05Å; L11-L87 HydrophobicContact CG-CD2 4.16Å; V14-L87 HydrophobicContact CG2-CD2 3.85Å; L37-L87 HydrophobicContact CD1-CD2 3.9Å; L37-L87 HydrophobicContact CD1-CG 4.19Å; L37-L87 HydrophobicContact CD2-CD2 3.99Å; L37-L87 HydrophobicContact CG-CD2 4.46Å; L83-L87 HydrophobicContact CD2-CD1 4.21Å; L83-L87 HydrophobicContact CD2-CG 4.49Å; L83-L87 WeakPolarHBondContact O-CB 3.42Å; L83-L87 WeakPolarHBondContact O-CG 3.46Å; L83-L87 PolarHBondContact O-N 2.89Å; W85-L87 PolarHBondContact O-N 3.2Å; L87-K89 VanDerWaalsContact C-N 3.31Å; L87-K89 PolarHBondContact O-N 2.93Å; L87-A90 PolarHBondContact O-N 3.12Å; L87-L91 WeakPolarHBondContact O-CB 3.5Å; L87-L91 PolarHBondContact O-N 3.35Å
88S85.9Confident82.8Confident45 Ų4548 Ų4832%0.31526%0.256SS..Hα-helixtrans-64.5-38.3177.2-53.70000111.4K10 D84 W85 L86 L92K10-S88 PolarHBondContact NZ-OG 3.36Å; D84-S88 WeakPolarHBondContact O-CB 3.29Å; D84-S88 PolarHBondContact O-N 2.84Å; D84-S88 PolarHBondContact O-OG 3.36Å; W85-S88 PolarHBondContact O-N 3.1Å; L86-S88 VanDerWaalsContact C-N 3.35Å; L86-S88 PolarHBondContact O-N 3.29Å; S88-L92 PolarHBondContact O-N 3.4Å; S88-L92 VanDerWaalsContact O-N 3.08Å
89K85.6Confident81.4Confident64 Ų6451.5 Ų51.528%0.27826%0.26SS..Hα-helixtrans-66.3-41.8173.8-176.3167.3-178.5163.50112V70 W85 L86 L87 L92 L93V70-K89 HydrophobicContact CG1-CD 3.68Å; V70-K89 VanDerWaalsContact CG1-NZ 3.31Å; V70-K89 PolarHBondContact O-NZ 3.34Å; W85-K89 HydrophobicContact CH2-CD 3.57Å; W85-K89 HydrophobicContact CZ2-CD 4.37Å; W85-K89 HydrophobicContact CZ3-CB 4.45Å; W85-K89 HydrophobicContact CZ3-CD 3.66Å; W85-K89 WeakPolarHBondContact O-CB 3.46Å; W85-K89 PolarHBondContact O-N 3.45Å; L86-K89 PolarHBondContact O-N 2.89Å; L87-K89 VanDerWaalsContact C-N 3.31Å; L87-K89 PolarHBondContact O-N 2.93Å; K89-L92 PolarHBondContact O-N 2.93Å; K89-L93 HydrophobicContact CG-CD1 4.44Å; K89-L93 WeakPolarHBondContact O-CG 3.38Å; K89-L93 PolarHBondContact O-N 3.27Å
90A87.1Confident80Confident0 Ų056.1 Ų56.10%028%0.283CS..Hα-helixtrans-61.3-46.3175.700000111.7V14 L37 I41 I42 L86 L87 L92 L93 E94V14-A90 HydrophobicContact CG1-CB 4.42Å; L37-A90 HydrophobicContact CD2-CB 3.73Å; I41-A90 HydrophobicContact CB-CB 4.27Å; I41-A90 HydrophobicContact CD1-CB 4.16Å; I41-A90 HydrophobicContact CG2-CB 3.82Å; I41-A90 WeakPolarHBondContact CG2-O 3.38Å; I42-A90 HydrophobicContact CD1-CB 4.46Å; I42-A90 HydrophobicContact CG1-CB 4.2Å; L86-A90 WeakPolarHBondContact O-CB 3.21Å; L86-A90 PolarHBondContact O-N 3.4Å; L87-A90 PolarHBondContact O-N 3.12Å; A90-L92 VanDerWaalsContact C-N 3.32Å; A90-L92 PolarHBondContact O-N 3.37Å; A90-L93 PolarHBondContact O-N 2.86Å; A90-L93 VanDerWaalsContact O-N 3.1Å; A90-E94 PolarHBondContact O-N 3.42Å
91L84.8Confident78.3Confident55 Ų5557.5 Ų57.529%0.28830%0.3SS..Hα-helixtrans-56.3-44.1174-88.7155.7000112.4K10 V14 L87 L93 E94 Y95K10-L91 HydrophobicContact CG-CD1 4.48Å; V14-L91 HydrophobicContact CG1-CD1 4.36Å; V14-L91 HydrophobicContact CG1-CD2 4.15Å; V14-L91 HydrophobicContact CG1-CG 3.67Å; L87-L91 WeakPolarHBondContact O-CB 3.5Å; L87-L91 PolarHBondContact O-N 3.35Å; L91-L93 VanDerWaalsContact C-N 3.3Å; L91-L93 PolarHBondContact O-N 3.43Å; L91-E94 PolarHBondContact O-N 3.42Å; L91-Y95 WeakPolarHBondContact O-CB 3.3Å; L91-Y95 PolarHBondContact O-N 2.99Å
92L84.2Confident76.5Confident101 Ų10162.6 Ų62.653%0.52932%0.32SS..Hα-helixtrans-62.5-38.9177.1-175.266.8000111.8S88 K89 A90 N96S88-L92 PolarHBondContact O-N 3.4Å; S88-L92 VanDerWaalsContact O-N 3.08Å; K89-L92 PolarHBondContact O-N 2.93Å; A90-L92 VanDerWaalsContact C-N 3.32Å; A90-L92 PolarHBondContact O-N 3.37Å; L92-N96 WeakPolarHBondContact O-CB 3.38Å; L92-N96 PolarHBondContact O-N 3.14Å; L92-N96 PolarHBondContact O-ND2 2.98Å
93L82.5Confident74.3Confident60 Ų6069.7 Ų69.731%0.31435%0.353SS..Hα-helixtrans-70.5-39.5178.2-72.1172.3000112.7I41 I42 K89 A90 L91 N96 S97I41-L93 HydrophobicContact CG2-CB 4.16Å; I42-L93 HydrophobicContact CB-CD1 4.45Å; I42-L93 HydrophobicContact CG1-CD1 4.31Å; K89-L93 HydrophobicContact CG-CD1 4.44Å; K89-L93 WeakPolarHBondContact O-CG 3.38Å; K89-L93 PolarHBondContact O-N 3.27Å; A90-L93 PolarHBondContact O-N 2.86Å; A90-L93 VanDerWaalsContact O-N 3.1Å; L91-L93 VanDerWaalsContact C-N 3.3Å; L91-L93 PolarHBondContact O-N 3.43Å; L93-N96 PolarHBondContact O-N 3.27Å; L93-S97 WeakPolarHBondContact O-CB 3.5Å; L93-S97 PolarHBondContact O-N 3.43Å; L93-S97 PolarHBondContact O-OG 3.24Å; L93-S97 VanDerWaalsContact O-OG 3.09Å
94E80.5Confident72.2Confident69 Ų6977.2 Ų77.232%0.32239%0.393SS..Hα-helixtrans-63.7-44172.6-88.1-155.8142.700111.7I41 A90 L91 N96 S97 S98I41-E94 HydrophobicContact CD1-CG 4.23Å; I41-E94 HydrophobicContact CG1-CG 4.44Å; I41-E94 HydrophobicContact CG2-CG 4.05Å; A90-E94 PolarHBondContact O-N 3.42Å; L91-E94 PolarHBondContact O-N 3.42Å; E94-N96 VanDerWaalsContact C-N 3.33Å; E94-N96 PolarHBondContact O-N 3.27Å; E94-S97 PolarHBondContact O-N 2.83Å; E94-S98 WeakPolarHBondContact O-CB 3.44Å; E94-S98 PolarHBondContact O-N 2.8Å; E94-S98 PolarHBondContact O-OG 3.33Å
95Y76.7Confident69.8Low121 Ų12180 Ų8048%0.47541%0.414SS..Hα-helixtrans-59.7-45.3176.7-177.7-104000111.3L91 S98 R99L91-Y95 WeakPolarHBondContact O-CB 3.3Å; L91-Y95 PolarHBondContact O-N 2.99Å; Y95-S98 PolarHBondContact O-N 3.06Å; Y95-R99 WeakPolarHBondContact O-CG 3.48Å; Y95-R99 PolarHBondContact O-N 3.14Å
96N73.7Confident67.2Low67 Ų6784.4 Ų84.436%0.35844%0.441SS..Hα-helixtrans-69.4-38.6178.7-69.8-23.3000112.8L92 L93 E94 S98 R99 N100L92-N96 WeakPolarHBondContact O-CB 3.38Å; L92-N96 PolarHBondContact O-N 3.14Å; L92-N96 PolarHBondContact O-ND2 2.98Å; L93-N96 PolarHBondContact O-N 3.27Å; E94-N96 VanDerWaalsContact C-N 3.33Å; E94-N96 PolarHBondContact O-N 3.27Å; N96-S98 VanDerWaalsContact C-N 3.3Å; N96-S98 PolarHBondContact O-N 3.44Å; N96-R99 PolarHBondContact O-N 3.07Å; N96-N100 PolarHBondContact O-N 2.93Å; N96-N100 VanDerWaalsContact O-N 3.11Å
97S68.9Low64.7Low76 Ų7689.4 Ų89.453%0.53148%0.476SS..Hα-helixtrans-62.6-38.8175.3-710000111.9L93 E94 R99 N100 T101L93-S97 WeakPolarHBondContact O-CB 3.5Å; L93-S97 PolarHBondContact O-N 3.43Å; L93-S97 PolarHBondContact O-OG 3.24Å; L93-S97 VanDerWaalsContact O-OG 3.09Å; E94-S97 PolarHBondContact O-N 2.83Å; S97-R99 VanDerWaalsContact C-N 3.3Å; S97-R99 PolarHBondContact O-N 3.45Å; S97-N100 PolarHBondContact O-N 3Å; S97-T101 PolarHBondContact O-N 2.84Å; S97-T101 PolarHBondContact O-OG1 3.41Å
98S62.5Low62.1Low72 Ų7298.3 Ų98.350%0.50352%0.518SS..Hα-helixtrans-67.8-28.3177.5-56.40000112.9E94 Y95 N96 T101E94-S98 WeakPolarHBondContact O-CB 3.44Å; E94-S98 PolarHBondContact O-N 2.8Å; E94-S98 PolarHBondContact O-OG 3.33Å; Y95-S98 PolarHBondContact O-N 3.06Å; N96-S98 VanDerWaalsContact C-N 3.3Å; N96-S98 PolarHBondContact O-N 3.44Å; S98-T101 PolarHBondContact O-OG1 3.25Å; S98-T101 VanDerWaalsContact O-OG1 3.08Å
99R54.8Low59.5Low132 Ų132103.2 Ų103.250%0.49854%0.541SS..Hα-helixtrans-77.2-34.8174-68.9-175.980.2-172.57.3112.8Y95 N96 S97 T101 Q102 H103Y95-R99 WeakPolarHBondContact O-CG 3.48Å; Y95-R99 PolarHBondContact O-N 3.14Å; N96-R99 PolarHBondContact O-N 3.07Å; S97-R99 VanDerWaalsContact C-N 3.3Å; S97-R99 PolarHBondContact O-N 3.45Å; R99-T101 VanDerWaalsContact C-N 3.35Å; R99-Q102 PolarHBondContact O-N 2.89Å; R99-H103 PolarHBondContact O-N 2.89Å
100N52.9Low57Low121 Ų121105.8 Ų105.865%0.64757%0.566SS**Hα-helixtrans-70.8-28.9-179.7-78.7-11.5000113N96 S97N96-N100 PolarHBondContact O-N 2.93Å; N96-N100 VanDerWaalsContact O-N 3.11Å; S97-N100 PolarHBondContact O-N 3Å
101T51.2Low54.5Low105 Ų105111.2 Ų111.264%0.64460%0.6SS**Hα-helixtrans-73-30.9172.844.30000112.9S97 S98 R99S97-T101 PolarHBondContact O-N 2.84Å; S97-T101 PolarHBondContact O-OG1 3.41Å; S98-T101 PolarHBondContact O-OG1 3.25Å; S98-T101 VanDerWaalsContact O-OG1 3.08Å; R99-T101 VanDerWaalsContact C-N 3.35Å
102Q44.9Very low52.4Low131 Ų131114.4 Ų114.461%0.61262%0.616SS**Hα-helixtrans-76.5-23178.2-73.7-169.2-8.500114R99 N104 S105R99-Q102 PolarHBondContact O-N 2.89Å; Q102-N104 VanDerWaalsContact C-N 3.33Å; Q102-N104 PolarHBondContact O-N 3.41Å; Q102-S105 PolarHBondContact O-OG 2.83Å
103H43Very low50.5Low150 Ų150113 Ų11369%0.69462%0.615SS**THydrogen-bonded Turntrans-78.1-11.3-178-108.5-73.5000115.1R99R99-H103 PolarHBondContact O-N 2.89Å
104N42Very low48.8Very low157 Ų157116 Ų11684%0.8464%0.636SS**THydrogen-bonded Turntrans-90.8-5.6176.9-87-3.4000114.4Q102Q102-N104 VanDerWaalsContact C-N 3.33Å; Q102-N104 PolarHBondContact O-N 3.41Å
105S36.7Very low47.5Very low82 Ų82116.3 Ų116.357%0.57364%0.64SS**  trans-110.585.9173.551.90000109.4Q102 S107Q102-S105 PolarHBondContact O-OG 2.83Å; S105-S107 VanDerWaalsContact C-N 3.29Å; S105-S107 PolarHBondContact O-N 2.95Å
106I36.5Very low46.6Very low163 Ų163114.8 Ų114.884%0.83665%0.653SS**  trans-64.996.6160.4-61.5168.4000106.4
107S36Very low46.1Very low106 Ų106118.1 Ų118.174%0.74166%0.664SS**  trans-152.7108.5156.6-820000107.8S105 N109S105-S107 VanDerWaalsContact C-N 3.29Å; S105-S107 PolarHBondContact O-N 2.95Å; S107-N109 PolarHBondContact O-N 2.91Å
108E34.2Very low45.9Very low188 Ų188119 Ų11988%0.87966%0.663SS**  trans-23.5100.9153-61.6172.5166.600111.2
109N30.5Very low46.2Very low148 Ų148123.2 Ų123.279%0.79168%0.68SS**  trans-167.8120.1146.6-89.6-31.3000109.5S107 T111S107-N109 PolarHBondContact O-N 2.91Å; N109-T111 PolarHBondContact O-N 3Å
110S34.3Very low47Very low117 Ų117120.2 Ų120.282%0.81867%0.673SS**  trans-52.695.1169.651.50000112.4
111T33.2Very low48.2Very low114 Ų114118.8 Ų118.870%0.69967%0.665SS**  trans-165.5131.5160.636.50000112.5N109N109-T111 PolarHBondContact O-N 3Å
112L41.3Very low49.4Very low122 Ų122115.5 Ų115.564%0.63965%0.645SS**  trans80.255.1157.6-56.6144.5000116.3T114L112-T114 PolarHBondContact O-N 3.41Å
113S44.7Very low51Low72 Ų72113.9 Ų113.950%0.50364%0.641SS.*  trans-53.5128.7131.4174.60000106.5N115S113-N115 WeakPolarHBondContact CB-OD1 3.5Å; S113-N115 PolarHBondContact O-N 3.08Å; S113-N115 PolarHBondContact OG-OD1 3.23Å
114T47Very low53Low122 Ų122108.3 Ų108.375%0.74862%0.618SS**  trans-62.263.1164.345.60000108.7L112 A116L112-T114 PolarHBondContact O-N 3.41Å; T114-A116 PolarHBondContact O-N 3.22Å
115N51.6Low55.1Low77 Ų77106.7 Ų106.741%0.41261%0.61SS.*  trans-66.8117.6178-70.1-31.5000104.9S113 F117 N118S113-N115 WeakPolarHBondContact CB-OD1 3.5Å; S113-N115 PolarHBondContact O-N 3.08Å; S113-N115 PolarHBondContact OG-OD1 3.23Å; N115-F117 HydrophobicContact CB-CB 4.45Å; N115-F117 PolarHBondContact O-N 3.43Å; N115-N118 PolarHBondContact O-N 2.87Å
116A59.6Low57.5Low89 Ų89109.6 Ų109.674%0.73661%0.614SS**THydrogen-bonded Turntrans-49.4-12.1168.100000113T114T114-A116 PolarHBondContact O-N 3.22Å
117F61.6Low60Low137 Ų137103 Ų10360%0.60158%0.58SS**THydrogen-bonded Turntrans-93.3-7.2178.2-53.7-74.1000115.4N115 N119 I120N115-F117 HydrophobicContact CB-CB 4.45Å; N115-F117 PolarHBondContact O-N 3.43Å; F117-N119 PolarHBondContact O-N 3.33Å; F117-I120 HydrophobicContact CD1-CD1 3.57Å; F117-I120 HydrophobicContact CE1-CD1 4.22Å; F117-I120 HydrophobicContact CG-CD1 4.49Å; F117-I120 WeakPolarHBondContact O-CB 3.44Å; F117-I120 PolarHBondContact O-N 2.81Å
118N65.6Low62.5Low93 Ų93101.5 Ų101.550%0.49756%0.56SS.*THydrogen-bonded Turntrans-65.4-25.5-179-79.3-4.2000112.9N115 I120N115-N118 PolarHBondContact O-N 2.87Å; N118-I120 VanDerWaalsContact C-N 3.35Å
119N68.4Low65.2Low161 Ų16197.7 Ų97.786%0.86154%0.542SS*.THydrogen-bonded Turntrans-88.9-1.5174.1-69.9-9.5000113F117 D121F117-N119 PolarHBondContact O-N 3.33Å; N119-D121 PolarHBondContact O-N 3.42Å
120I71.7Confident68Low70 Ų7094 Ų9436%0.35952%0.522SS..  trans-89.6107-179.7-59.5-174.6000108.4F117 N118 V122 F127F117-I120 HydrophobicContact CD1-CD1 3.57Å; F117-I120 HydrophobicContact CE1-CD1 4.22Å; F117-I120 HydrophobicContact CG-CD1 4.49Å; F117-I120 WeakPolarHBondContact O-CB 3.44Å; F117-I120 PolarHBondContact O-N 2.81Å; N118-I120 VanDerWaalsContact C-N 3.35Å; I120-V122 PolarHBondContact O-N 2.95Å; I120-F127 HydrophobicContact CG2-CD2 3.55Å; I120-F127 HydrophobicContact CG2-CE2 3.99Å; I120-F127 HydrophobicContact CG2-CG 4.36Å
121D77.6Confident70.7Confident91 Ų9188.5 Ų88.549%0.48748%0.484SS..  trans-74106.1167.7-17911.4000109.6N119 N123 S124 F127N119-D121 PolarHBondContact O-N 3.42Å; D121-N123 PolarHBondContact O-N 2.94Å; D121-N123 WeakPolarHBondContact OD1-CB 3.03Å; D121-N123 PolarHBondContact OD1-N 3.32Å; D121-S124 VanDerWaalsContact O-CB 3.3Å; D121-S124 WeakPolarHBondContact O-CB 3.49Å; D121-S124 PolarHBondContact O-N 2.96Å; D121-S124 VanDerWaalsContact O-N 3.08Å; D121-S124 PolarHBondContact O-OG 3.44Å; D121-F127 WeakPolarHBondContact O-CB 3.27Å
122V77.1Confident73.4Confident35 Ų3586.5 Ų86.521%0.21247%0.468CS..THydrogen-bonded Turntrans-63.4-19.5178.8-172.60000112.2I120 F127 R147I120-V122 PolarHBondContact O-N 2.95Å; V122-F127 HydrophobicContact CB-CE1 4.47Å; V122-F127 HydrophobicContact CG1-CD1 4.06Å; V122-F127 HydrophobicContact CG1-CE1 3.69Å; V122-F127 HydrophobicContact CG1-CZ 4.29Å; V122-F127 WeakPolarHBondContact O-CD1 3.3Å; V122-R147 HydrophobicContact CG1-CG 3.75Å; V122-R147 VanDerWaalsContact CG1-CZ 3.47Å
123N78.2Confident75.8Confident98 Ų9886 Ų8652%0.52446%0.461SS..THydrogen-bonded Turntrans-94.4-8178.1-59-35.1000113.1D121 K128 R147D121-N123 PolarHBondContact O-N 2.94Å; D121-N123 WeakPolarHBondContact OD1-CB 3.03Å; D121-N123 PolarHBondContact OD1-N 3.32Å; N123-K128 VanDerWaalsContact O-CE 3.29Å; N123-K128 WeakPolarHBondContact O-CE 3.46Å; N123-K128 PolarHBondContact O-NZ 3.39Å; N123-K128 VanDerWaalsContact O-NZ 3.1Å; N123-R147 PolarHBondContact OD1-NH2 3.03Å
124S85.4Confident78Confident33 Ų3385.8 Ų85.823%0.23145%0.453CS..SBendtrans-61.4146.6176.468.50000111.5D121 E126 F127 K128D121-S124 VanDerWaalsContact O-CB 3.3Å; D121-S124 WeakPolarHBondContact O-CB 3.49Å; D121-S124 PolarHBondContact O-N 2.96Å; D121-S124 VanDerWaalsContact O-N 3.08Å; D121-S124 PolarHBondContact O-OG 3.44Å; S124-E126 PolarHBondContact O-N 3.38Å; S124-F127 PolarHBondContact O-N 3.38Å; S124-F127 VanDerWaalsContact OG-CB 3.29Å; S124-F127 WeakPolarHBondContact OG-CB 3.3Å; S124-F127 PolarHBondContact OG-N 3.12Å; S124-K128 PolarHBondContact O-N 3.17Å
125D85.8Confident80Confident122 Ų12280 Ų8065%0.65242%0.418SS*.Hα-helixtrans-67.4-30.4177.6-67.3-31.5000111.6K128 E129D125-K128 PolarHBondContact O-N 3.24Å; D125-K128 IonicContact OD1-NZ 3.24Å; D125-K128 PolarHBondContact OD1-NZ 3.09Å; D125-E129 WeakPolarHBondContact O-CB 3.46Å; D125-E129 PolarHBondContact O-N 2.86Å
126E87.1Confident81.9Confident143 Ų14384.8 Ų84.867%0.66844%0.435SS*.Hα-helixtrans-61.3-46.3173.6-173.5-179.5-179.500111.8S124 K128 E129 N130S124-E126 PolarHBondContact O-N 3.38Å; E126-K128 PolarHBondContact O-N 3.41Å; E126-E129 PolarHBondContact O-N 3.32Å; E126-N130 WeakPolarHBondContact O-CB 3.44Å; E126-N130 VanDerWaalsContact O-CG 3.28Å; E126-N130 PolarHBondContact O-N 3.42Å; E126-N130 PolarHBondContact O-ND2 3.34Å
127F88.4Confident83.3Confident26 Ų2687.5 Ų87.511%0.11444%0.436CS..Hα-helixtrans-60.9-46.3176.5-178.5-97.3000111I120 D121 V122 S124 E129 N130 V131 I146 F150I120-F127 HydrophobicContact CG2-CD2 3.55Å; I120-F127 HydrophobicContact CG2-CE2 3.99Å; I120-F127 HydrophobicContact CG2-CG 4.36Å; D121-F127 WeakPolarHBondContact O-CB 3.27Å; V122-F127 HydrophobicContact CB-CE1 4.47Å; V122-F127 HydrophobicContact CG1-CD1 4.06Å; V122-F127 HydrophobicContact CG1-CE1 3.69Å; V122-F127 HydrophobicContact CG1-CZ 4.29Å; V122-F127 WeakPolarHBondContact O-CD1 3.3Å; S124-F127 PolarHBondContact O-N 3.38Å; S124-F127 VanDerWaalsContact OG-CB 3.29Å; S124-F127 WeakPolarHBondContact OG-CB 3.3Å; S124-F127 PolarHBondContact OG-N 3.12Å; F127-E129 PolarHBondContact O-N 3.32Å; F127-N130 PolarHBondContact O-N 2.97Å; F127-V131 HydrophobicContact CD1-CG2 4.02Å; F127-V131 HydrophobicContact CD2-CG2 4.34Å; F127-V131 HydrophobicContact CE1-CG2 3.59Å; F127-V131 HydrophobicContact CE2-CG2 3.96Å; F127-V131 HydrophobicContact CG-CG2 4.38Å; F127-V131 HydrophobicContact CZ-CG2 3.56Å; F127-V131 VanDerWaalsContact O-CG2 3.29Å; F127-V131 WeakPolarHBondContact O-CG2 3.5Å; F127-V131 PolarHBondContact O-N 2.94Å; F127-I146 HydrophobicContact CD1-CG1 4.3Å; F127-I146 HydrophobicContact CE1-CG1 4.19Å; F127-I146 HydrophobicContact CE1-CG2 4.44Å; F127-F150 HydrophobicContact CE2-CE2 4.46Å; F127-F150 HydrophobicContact CZ-CB 4.23Å; F127-F150 HydrophobicContact CZ-CD1 4.08Å; F127-F150 HydrophobicContact CZ-CD2 4.02Å; F127-F150 HydrophobicContact CZ-CE1 4.45Å; F127-F150 HydrophobicContact CZ-CE2 4.38Å; F127-F150 AromaticContact CZ-CG 3.84Å; F127-F150 HydrophobicContact CZ-CG 3.84Å
128K89Confident84.5Confident74 Ų7483.5 Ų83.532%0.32242%0.421SS..Hα-helixtrans-60-46.1178.8-66.9171.2-165.9154.60112.1N123 S124 D125 E126 N130 V131 L132 I146N123-K128 VanDerWaalsContact O-CE 3.29Å; N123-K128 WeakPolarHBondContact O-CE 3.46Å; N123-K128 PolarHBondContact O-NZ 3.39Å; N123-K128 VanDerWaalsContact O-NZ 3.1Å; S124-K128 PolarHBondContact O-N 3.17Å; D125-K128 PolarHBondContact O-N 3.24Å; D125-K128 IonicContact OD1-NZ 3.24Å; D125-K128 PolarHBondContact OD1-NZ 3.09Å; E126-K128 PolarHBondContact O-N 3.41Å; K128-N130 VanDerWaalsContact C-N 3.34Å; K128-N130 PolarHBondContact O-N 3.43Å; K128-V131 PolarHBondContact O-N 2.9Å; K128-L132 WeakPolarHBondContact O-CB 3.47Å; K128-L132 VanDerWaalsContact O-CG 3.27Å; K128-L132 WeakPolarHBondContact O-CG 3.43Å; K128-L132 PolarHBondContact O-N 2.82Å; K128-I146 HydrophobicContact CB-CD1 4.17Å; K128-I146 HydrophobicContact CB-CG1 4.28Å; K128-I146 HydrophobicContact CG-CB 4.33Å; K128-I146 HydrophobicContact CG-CD1 4.29Å; K128-I146 HydrophobicContact CG-CG1 3.95Å; K128-I146 HydrophobicContact CG-CG2 4.4Å
129E90.5Very high85.6Confident107 Ų10787.5 Ų87.550%0.544%0.437SS..Hα-helixtrans-64.5-41-178.6-151-163.814600111.3D125 E126 F127 L132 K133D125-E129 WeakPolarHBondContact O-CB 3.46Å; D125-E129 PolarHBondContact O-N 2.86Å; E126-E129 PolarHBondContact O-N 3.32Å; F127-E129 PolarHBondContact O-N 3.32Å; E129-L132 PolarHBondContact O-N 3.11Å; E129-K133 WeakPolarHBondContact O-CG 3.17Å; E129-K133 PolarHBondContact O-N 3.44Å; E129-K133 WeakPolarHBondContact OE1-CE 3.36Å; E129-K133 IonicContact OE1-NZ 2.76Å; E129-K133 PolarHBondContact OE1-NZ 2.97Å
130N89.7Confident86.4Confident70 Ų7081.1 Ų81.137%0.37440%0.402SS..Hα-helixtrans-66.7-43.9177.1-73.7-27.7000112.2E126 F127 K128 L132 K133 I134E126-N130 WeakPolarHBondContact O-CB 3.44Å; E126-N130 VanDerWaalsContact O-CG 3.28Å; E126-N130 PolarHBondContact O-N 3.42Å; E126-N130 PolarHBondContact O-ND2 3.34Å; F127-N130 PolarHBondContact O-N 2.97Å; K128-N130 VanDerWaalsContact C-N 3.34Å; K128-N130 PolarHBondContact O-N 3.43Å; N130-L132 VanDerWaalsContact C-N 3.32Å; N130-L132 PolarHBondContact O-N 3.44Å; N130-K133 PolarHBondContact O-N 2.74Å; N130-I134 WeakPolarHBondContact O-CG1 3.37Å; N130-I134 PolarHBondContact O-N 2.99Å
131V90.8Very high86.9Confident3 Ų383.1 Ų83.12%0.01842%0.42CS..Hα-helixtrans-62.8-40175.7172.80000111.1F127 K128 I134 A135 I146 L149 F150F127-V131 HydrophobicContact CD1-CG2 4.02Å; F127-V131 HydrophobicContact CD2-CG2 4.34Å; F127-V131 HydrophobicContact CE1-CG2 3.59Å; F127-V131 HydrophobicContact CE2-CG2 3.96Å; F127-V131 HydrophobicContact CG-CG2 4.38Å; F127-V131 HydrophobicContact CZ-CG2 3.56Å; F127-V131 VanDerWaalsContact O-CG2 3.29Å; F127-V131 WeakPolarHBondContact O-CG2 3.5Å; F127-V131 PolarHBondContact O-N 2.94Å; K128-V131 PolarHBondContact O-N 2.9Å; V131-I134 PolarHBondContact O-N 3.49Å; V131-A135 VanDerWaalsContact O-CB 3.3Å; V131-A135 WeakPolarHBondContact O-CB 3.36Å; V131-A135 PolarHBondContact O-N 2.88Å; V131-I146 HydrophobicContact CB-CD1 3.78Å; V131-I146 HydrophobicContact CB-CG1 4.06Å; V131-I146 HydrophobicContact CG1-CD1 3.67Å; V131-I146 HydrophobicContact CG1-CG1 4.03Å; V131-I146 HydrophobicContact CG2-CG1 4.43Å; V131-L149 HydrophobicContact CG1-CB 4.2Å; V131-L149 HydrophobicContact CG1-CD2 4.05Å; V131-L149 HydrophobicContact CG1-CG 3.95Å; V131-F150 HydrophobicContact CG1-CB 3.99Å; V131-F150 HydrophobicContact CG1-CD2 4.41Å; V131-F150 HydrophobicContact CG2-CB 4.13Å; V131-F150 HydrophobicContact CG2-CD2 3.6Å; V131-F150 HydrophobicContact CG2-CE2 4.39Å; V131-F150 HydrophobicContact CG2-CG 4.18Å
132L90.2Very high87.2Confident71 Ų7184 Ų8437%0.37243%0.428SS..Hα-helixtrans-64.9-40.7174.9-73.9168.4000112.5K128 E129 N130 A135 K136 V142 I146 L149K128-L132 WeakPolarHBondContact O-CB 3.47Å; K128-L132 VanDerWaalsContact O-CG 3.27Å; K128-L132 WeakPolarHBondContact O-CG 3.43Å; K128-L132 PolarHBondContact O-N 2.82Å; E129-L132 PolarHBondContact O-N 3.11Å; N130-L132 VanDerWaalsContact C-N 3.32Å; N130-L132 PolarHBondContact O-N 3.44Å; L132-A135 PolarHBondContact O-N 3.45Å; L132-K136 WeakPolarHBondContact O-CB 3.45Å; L132-K136 PolarHBondContact O-N 2.98Å; L132-V142 HydrophobicContact CD2-CG1 3.59Å; L132-V142 HydrophobicContact CD2-CG2 4.32Å; L132-I146 HydrophobicContact CG-CD1 4.39Å; L132-L149 HydrophobicContact CD2-CD2 3.76Å; L132-L149 HydrophobicContact CG-CD2 4.5Å
133K91.4Very high87.4Confident113 Ų11386.1 Ų86.149%0.49144%0.436SS..Hα-helixtrans-60-46.2174.5-77.9169.9-174160.10111.2E129 N130 K136 L137E129-K133 WeakPolarHBondContact O-CG 3.17Å; E129-K133 PolarHBondContact O-N 3.44Å; E129-K133 WeakPolarHBondContact OE1-CE 3.36Å; E129-K133 IonicContact OE1-NZ 2.76Å; E129-K133 PolarHBondContact OE1-NZ 2.97Å; N130-K133 PolarHBondContact O-N 2.74Å; K133-K136 PolarHBondContact O-N 2.77Å; K133-L137 PolarHBondContact O-N 3.42Å
134I90.8Very high87.6Confident67 Ų6787.7 Ų87.734%0.34445%0.451SS..Hα-helixtrans-66.9-43.1178.4-61.4165.3000110.8N130 V131 K136 L137 L138 V153 I157N130-I134 WeakPolarHBondContact O-CG1 3.37Å; N130-I134 PolarHBondContact O-N 2.99Å; V131-I134 PolarHBondContact O-N 3.49Å; I134-K136 VanDerWaalsContact C-N 3.31Å; I134-K136 PolarHBondContact O-N 3.28Å; I134-L137 WeakPolarHBondContact O-CB 3.1Å; I134-L137 PolarHBondContact O-N 3.31Å; I134-L138 HydrophobicContact CG2-CD1 3.73Å; I134-L138 HydrophobicContact CG2-CG 4.31Å; I134-L138 WeakPolarHBondContact O-CB 3.3Å; I134-L138 WeakPolarHBondContact O-CG 3.27Å; I134-L138 PolarHBondContact O-N 2.85Å; I134-V153 HydrophobicContact CB-CG1 4.31Å; I134-V153 HydrophobicContact CG2-CB 4.46Å; I134-V153 HydrophobicContact CG2-CG1 3.39Å; I134-V153 HydrophobicContact CG2-CG2 4.2Å; I134-I157 HydrophobicContact CG2-CD1 4.49Å
135A90.5Very high87.6Confident0 Ų089.3 Ų89.30%046%0.457CS..Hα-helixtrans-59.3-42.1176.200000111.9V131 L132 L138 Q139 I140 L149 V153V131-A135 VanDerWaalsContact O-CB 3.3Å; V131-A135 WeakPolarHBondContact O-CB 3.36Å; V131-A135 PolarHBondContact O-N 2.88Å; L132-A135 PolarHBondContact O-N 3.45Å; A135-L138 CarbonylContact O-C 3.51Å; A135-L138 PolarHBondContact O-N 3.28Å; A135-Q139 PolarHBondContact O-N 2.77Å; A135-I140 HydrophobicContact CB-CB 4.29Å; A135-I140 PolarHBondContact O-N 3.47Å; A135-L149 HydrophobicContact CB-CD1 3.81Å; A135-L149 HydrophobicContact CB-CD2 3.89Å; A135-L149 HydrophobicContact CB-CG 3.97Å; A135-V153 HydrophobicContact CB-CG2 4.09Å
136K90.3Very high87.6Confident177 Ų17784.6 Ų84.677%0.7743%0.432SS*.Hα-helixtrans-64.4-40.9175.8-167.6177-176.4179.70111.9L132 K133 I134 L138 Q139L132-K136 WeakPolarHBondContact O-CB 3.45Å; L132-K136 PolarHBondContact O-N 2.98Å; K133-K136 PolarHBondContact O-N 2.77Å; I134-K136 VanDerWaalsContact C-N 3.31Å; I134-K136 PolarHBondContact O-N 3.28Å; K136-L138 VanDerWaalsContact C-N 3.34Å; K136-Q139 PolarHBondContact O-N 2.95Å
137L89.2Confident87.6Confident147 Ų14783.9 Ų83.977%0.7742%0.423SS*.Hα-helixtrans-63.5-41176.5-167.477.3000111.7K133 I134 Q139K133-L137 PolarHBondContact O-N 3.42Å; I134-L137 WeakPolarHBondContact O-CB 3.1Å; I134-L137 PolarHBondContact O-N 3.31Å; L137-Q139 VanDerWaalsContact C-N 3.27Å; L137-Q139 PolarHBondContact O-N 2.92Å
138L86.5Confident87.5Confident52 Ų5286.9 Ų86.927%0.27244%0.439SS..THydrogen-bonded Turntrans-83.82.1178.6-66.8172.4000113.7I134 A135 K136 I140 V153 V156 I157I134-L138 HydrophobicContact CG2-CD1 3.73Å; I134-L138 HydrophobicContact CG2-CG 4.31Å; I134-L138 WeakPolarHBondContact O-CB 3.3Å; I134-L138 WeakPolarHBondContact O-CG 3.27Å; I134-L138 PolarHBondContact O-N 2.85Å; A135-L138 CarbonylContact O-C 3.51Å; A135-L138 PolarHBondContact O-N 3.28Å; K136-L138 VanDerWaalsContact C-N 3.34Å; L138-I140 VanDerWaalsContact C-N 3.28Å; L138-I140 HydrophobicContact CB-CD1 3.94Å; L138-I140 HydrophobicContact CB-CG1 3.93Å; L138-I140 HydrophobicContact CD1-CD1 4.2Å; L138-I140 PolarHBondContact O-N 3.43Å; L138-V153 HydrophobicContact CD1-CB 4.44Å; L138-V153 HydrophobicContact CD1-CG1 3.93Å; L138-V153 HydrophobicContact CD1-CG2 4.43Å; L138-V156 HydrophobicContact CB-CG1 4.5Å; L138-V156 HydrophobicContact CD1-CG1 4.46Å; L138-V156 HydrophobicContact CD2-CG1 4.36Å; L138-I157 HydrophobicContact CD1-CD1 4.03Å; L138-I157 HydrophobicContact CD1-CG1 3.69Å
139Q88.4Confident87.6Confident178 Ų17883.4 Ų83.483%0.83242%0.424SS*.THydrogen-bonded Turntrans56.836.6-178-54.3-179.17.300113.9A135 K136 L137A135-Q139 PolarHBondContact O-N 2.77Å; K136-Q139 PolarHBondContact O-N 2.95Å; L137-Q139 VanDerWaalsContact C-N 3.27Å; L137-Q139 PolarHBondContact O-N 2.92Å
140I86.6Confident87.6Confident27 Ų2781.6 Ų81.614%0.13842%0.415CS..PPolyproline II helixtrans-87.8132.2177.1-57175000109.2A135 L138 L149 A152 V153 V156A135-I140 HydrophobicContact CB-CB 4.29Å; A135-I140 PolarHBondContact O-N 3.47Å; L138-I140 VanDerWaalsContact C-N 3.28Å; L138-I140 HydrophobicContact CB-CD1 3.94Å; L138-I140 HydrophobicContact CB-CG1 3.93Å; L138-I140 HydrophobicContact CD1-CD1 4.2Å; L138-I140 PolarHBondContact O-N 3.43Å; I140-L149 HydrophobicContact CG2-CD1 3.86Å; I140-A152 HydrophobicContact CG2-CB 4.27Å; I140-V153 HydrophobicContact CD1-CB 4.34Å; I140-V153 HydrophobicContact CD1-CG2 3.8Å; I140-V156 HydrophobicContact CD1-CB 4.05Å; I140-V156 HydrophobicContact CD1-CG1 4.49Å; I140-V156 HydrophobicContact CD1-CG2 3.78Å; I140-V156 HydrophobicContact CG1-CG2 4.27Å
141P81.5Confident87.5Confident111 Ų11185 Ų8572%0.72143%0.426SS*.PPolyproline II helixtrans-57.6138.5173.4-22.331.8000111.9L149P141-L149 WeakPolarHBondContact O-CD1 3.39Å
142V83.4Confident87.3Confident110 Ų11086.3 Ų86.367%0.66744%0.437SS*.PPolyproline II helixtrans-70133.8-178.5-173.60000109.9L132L132-V142 HydrophobicContact CD2-CG1 3.59Å; L132-V142 HydrophobicContact CD2-CG2 4.32Å
143H82.5Confident87.4Confident80 Ų8083 Ų8337%0.3742%0.42SS..  trans-114.3142.9177.3-170.8-89.7000110.3D145 L149H143-D145 VanDerWaalsContact C-N 3.29Å; H143-D145 WeakPolarHBondContact ND1-CB 3.38Å; H143-D145 PolarHBondContact ND1-N 3.32Å; H143-D145 PolarHBondContact ND1-O 3.34Å; H143-D145 PolarHBondContact O-N 3.12Å; H143-L149 HydrophobicContact CB-CB 4.34Å
144P81Confident87.3Confident131 Ų13179.6 Ų79.685%0.85141%0.41SS*.SBendtrans-59.9-37.2179.7-23.332.4000113.5
145D86.2Confident87.1Confident66 Ų6680.4 Ų80.435%0.35341%0.414SS..SBendtrans-86.1115.3173.1-173-13000110.9H143 R147 I148 L149H143-D145 VanDerWaalsContact C-N 3.29Å; H143-D145 WeakPolarHBondContact ND1-CB 3.38Å; H143-D145 PolarHBondContact ND1-N 3.32Å; H143-D145 PolarHBondContact ND1-O 3.34Å; H143-D145 PolarHBondContact O-N 3.12Å; D145-R147 VanDerWaalsContact C-N 3.28Å; D145-R147 PolarHBondContact O-N 3.3Å; D145-R147 WeakPolarHBondContact OD1-CB 3.24Å; D145-R147 PolarHBondContact OD1-N 3.4Å; D145-I148 HydrophobicContact CB-CB 4.27Å; D145-I148 HydrophobicContact CB-CD1 4.05Å; D145-I148 HydrophobicContact CB-CG1 4.05Å; D145-I148 PolarHBondContact O-N 2.81Å; D145-L149 PolarHBondContact O-N 3.1Å; D145-L149 VanDerWaalsContact O-N 3.12Å
146I86.9Confident86.8Confident23 Ų2382.2 Ų82.212%0.11843%0.425CS..Hα-helixtrans-65.2-29.6-179.9-160.168.5000113F127 K128 V131 L132 L149 F150F127-I146 HydrophobicContact CD1-CG1 4.3Å; F127-I146 HydrophobicContact CE1-CG1 4.19Å; F127-I146 HydrophobicContact CE1-CG2 4.44Å; K128-I146 HydrophobicContact CB-CD1 4.17Å; K128-I146 HydrophobicContact CB-CG1 4.28Å; K128-I146 HydrophobicContact CG-CB 4.33Å; K128-I146 HydrophobicContact CG-CD1 4.29Å; K128-I146 HydrophobicContact CG-CG1 3.95Å; K128-I146 HydrophobicContact CG-CG2 4.4Å; V131-I146 HydrophobicContact CB-CD1 3.78Å; V131-I146 HydrophobicContact CB-CG1 4.06Å; V131-I146 HydrophobicContact CG1-CD1 3.67Å; V131-I146 HydrophobicContact CG1-CG1 4.03Å; V131-I146 HydrophobicContact CG2-CG1 4.43Å; L132-I146 HydrophobicContact CG-CD1 4.39Å; I146-L149 HydrophobicContact CD1-CD2 4.22Å; I146-L149 PolarHBondContact O-N 3.2Å; I146-F150 WeakPolarHBondContact O-CB 3.28Å; I146-F150 PolarHBondContact O-N 2.92Å
147R86.3Confident86.7Confident129 Ų12976.9 Ų76.949%0.48741%0.405SS..Hα-helixtrans-69.9-39.9-179.9-63.2179.1-173.9-99.8-4.1110.4V122 N123 D145 F150 K151V122-R147 HydrophobicContact CG1-CG 3.75Å; V122-R147 VanDerWaalsContact CG1-CZ 3.47Å; N123-R147 PolarHBondContact OD1-NH2 3.03Å; D145-R147 VanDerWaalsContact C-N 3.28Å; D145-R147 PolarHBondContact O-N 3.3Å; D145-R147 WeakPolarHBondContact OD1-CB 3.24Å; D145-R147 PolarHBondContact OD1-N 3.4Å; R147-F150 PolarHBondContact O-N 2.68Å; R147-K151 WeakPolarHBondContact O-CB 3.36Å; R147-K151 PolarHBondContact O-N 3.46Å
148I87.1Confident86.4Confident88 Ų8875.2 Ų75.245%0.45139%0.393SS..Hα-helixtrans-66.4-42.9174.6-61.9-177.2000109.8D145 F150 K151 A152D145-I148 HydrophobicContact CB-CB 4.27Å; D145-I148 HydrophobicContact CB-CD1 4.05Å; D145-I148 HydrophobicContact CB-CG1 4.05Å; D145-I148 PolarHBondContact O-N 2.81Å; I148-F150 PolarHBondContact O-N 2.88Å; I148-K151 PolarHBondContact O-N 2.97Å; I148-A152 WeakPolarHBondContact O-CB 3.4Å; I148-A152 PolarHBondContact O-N 2.93Å
149L89.3Confident86Confident2 Ų278 Ų781%0.0140%0.404CS..Hα-helixtrans-61.4-44.4175.9-172.759.4000111.8V131 L132 A135 I140 P141 H143 D145 I146 K151 A152 V153V131-L149 HydrophobicContact CG1-CB 4.2Å; V131-L149 HydrophobicContact CG1-CD2 4.05Å; V131-L149 HydrophobicContact CG1-CG 3.95Å; L132-L149 HydrophobicContact CD2-CD2 3.76Å; L132-L149 HydrophobicContact CG-CD2 4.5Å; A135-L149 HydrophobicContact CB-CD1 3.81Å; A135-L149 HydrophobicContact CB-CD2 3.89Å; A135-L149 HydrophobicContact CB-CG 3.97Å; I140-L149 HydrophobicContact CG2-CD1 3.86Å; P141-L149 WeakPolarHBondContact O-CD1 3.39Å; H143-L149 HydrophobicContact CB-CB 4.34Å; D145-L149 PolarHBondContact O-N 3.1Å; D145-L149 VanDerWaalsContact O-N 3.12Å; I146-L149 HydrophobicContact CD1-CD2 4.22Å; I146-L149 PolarHBondContact O-N 3.2Å; L149-K151 PolarHBondContact O-N 3.39Å; L149-A152 WeakPolarHBondContact O-CB 3.26Å; L149-A152 PolarHBondContact O-N 2.93Å; L149-V153 WeakPolarHBondContact O-CG2 3.37Å; L149-V153 PolarHBondContact O-N 2.88Å
150F90.8Very high85.6Confident68 Ų6875.8 Ų75.830%0.29839%0.392SS..Hα-helixtrans-63.2-42.2176.6-175.9-115.1000111.9F127 V131 I146 R147 I148 A152 V153 C154F127-F150 HydrophobicContact CE2-CE2 4.46Å; F127-F150 HydrophobicContact CZ-CB 4.23Å; F127-F150 HydrophobicContact CZ-CD1 4.08Å; F127-F150 HydrophobicContact CZ-CD2 4.02Å; F127-F150 HydrophobicContact CZ-CE1 4.45Å; F127-F150 HydrophobicContact CZ-CE2 4.38Å; F127-F150 AromaticContact CZ-CG 3.84Å; F127-F150 HydrophobicContact CZ-CG 3.84Å; V131-F150 HydrophobicContact CG1-CB 3.99Å; V131-F150 HydrophobicContact CG1-CD2 4.41Å; V131-F150 HydrophobicContact CG2-CB 4.13Å; V131-F150 HydrophobicContact CG2-CD2 3.6Å; V131-F150 HydrophobicContact CG2-CE2 4.39Å; V131-F150 HydrophobicContact CG2-CG 4.18Å; I146-F150 WeakPolarHBondContact O-CB 3.28Å; I146-F150 PolarHBondContact O-N 2.92Å; R147-F150 PolarHBondContact O-N 2.68Å; I148-F150 PolarHBondContact O-N 2.88Å; F150-A152 VanDerWaalsContact C-N 3.31Å; F150-A152 PolarHBondContact O-N 3.1Å; F150-V153 WeakPolarHBondContact O-CB 3.15Å; F150-V153 PolarHBondContact O-N 3.27Å; F150-C154 PolarHBondContact O-N 3.1Å; F150-C154 PolarHBondContact O-SG 2.9Å; F150-C154 VanDerWaalsContact O-SG 3.36Å
151K89Confident85.2Confident142 Ų14279 Ų7962%0.61741%0.409SS*.Hα-helixtrans-60.9-41.1174.2-173.1171.6-176.8175.90111.7R147 I148 L149 C154 L155R147-K151 WeakPolarHBondContact O-CB 3.36Å; R147-K151 PolarHBondContact O-N 3.46Å; I148-K151 PolarHBondContact O-N 2.97Å; L149-K151 PolarHBondContact O-N 3.39Å; K151-C154 PolarHBondContact O-N 3.41Å; K151-L155 HydrophobicContact CG-CD1 4.3Å; K151-L155 WeakPolarHBondContact O-CG 3.24Å; K151-L155 PolarHBondContact O-N 3.16Å
152A86.4Confident84.7Confident30 Ų3079.1 Ų79.125%0.24840%0.4CS..Hα-helixtrans-63.3-43.1175.100000111.6I140 I148 L149 F150 C154 L155 V156I140-A152 HydrophobicContact CG2-CB 4.27Å; I148-A152 WeakPolarHBondContact O-CB 3.4Å; I148-A152 PolarHBondContact O-N 2.93Å; L149-A152 WeakPolarHBondContact O-CB 3.26Å; L149-A152 PolarHBondContact O-N 2.93Å; F150-A152 VanDerWaalsContact C-N 3.31Å; F150-A152 PolarHBondContact O-N 3.1Å; A152-C154 PolarHBondContact O-N 2.91Å; A152-L155 PolarHBondContact O-N 3.05Å; A152-V156 WeakPolarHBondContact O-CG2 3.36Å; A152-V156 PolarHBondContact O-N 3.38Å
153V91.3Very high84Confident2 Ų277.5 Ų77.51%0.01239%0.39CS..Hα-helixtrans-55.2-51.6172.81630000111I134 A135 L138 I140 L149 F150 L155 V156 I157I134-V153 HydrophobicContact CB-CG1 4.31Å; I134-V153 HydrophobicContact CG2-CB 4.46Å; I134-V153 HydrophobicContact CG2-CG1 3.39Å; I134-V153 HydrophobicContact CG2-CG2 4.2Å; A135-V153 HydrophobicContact CB-CG2 4.09Å; L138-V153 HydrophobicContact CD1-CB 4.44Å; L138-V153 HydrophobicContact CD1-CG1 3.93Å; L138-V153 HydrophobicContact CD1-CG2 4.43Å; I140-V153 HydrophobicContact CD1-CB 4.34Å; I140-V153 HydrophobicContact CD1-CG2 3.8Å; L149-V153 WeakPolarHBondContact O-CG2 3.37Å; L149-V153 PolarHBondContact O-N 2.88Å; F150-V153 WeakPolarHBondContact O-CB 3.15Å; F150-V153 PolarHBondContact O-N 3.27Å; V153-L155 PolarHBondContact O-N 3.31Å; V153-V156 PolarHBondContact O-N 3.08Å; V153-I157 HydrophobicContact CG1-CD1 3.67Å; V153-I157 HydrophobicContact CG1-CG1 4.46Å; V153-I157 VanDerWaalsContact O-CG1 3.28Å; V153-I157 WeakPolarHBondContact O-CG1 3.5Å; V153-I157 PolarHBondContact O-N 2.9Å
154C89.3Confident83.3Confident41 Ų4177.7 Ų77.728%0.27739%0.394SS..Hα-helixtrans-58-47.5178.6-67.60000111.9F150 K151 A152 V156 I157 E158F150-C154 PolarHBondContact O-N 3.1Å; F150-C154 PolarHBondContact O-SG 2.9Å; F150-C154 VanDerWaalsContact O-SG 3.36Å; K151-C154 PolarHBondContact O-N 3.41Å; A152-C154 PolarHBondContact O-N 2.91Å; C154-V156 VanDerWaalsContact C-N 3.33Å; C154-V156 PolarHBondContact O-N 3.15Å; C154-I157 PolarHBondContact O-N 3.17Å; C154-E158 WeakPolarHBondContact O-CB 3.4Å; C154-E158 WeakPolarHBondContact O-CG 3.37Å; C154-E158 PolarHBondContact O-N 3.4Å
155L85.8Confident82.3Confident84 Ų8476.7 Ų76.744%0.4438%0.38SS..Hα-helixtrans-60.8-40.7179.5-74.2169.2000112.5K151 A152 V153 Q159K151-L155 HydrophobicContact CG-CD1 4.3Å; K151-L155 WeakPolarHBondContact O-CG 3.24Å; K151-L155 PolarHBondContact O-N 3.16Å; A152-L155 PolarHBondContact O-N 3.05Å; V153-L155 PolarHBondContact O-N 3.31Å; L155-Q159 WeakPolarHBondContact O-CB 3.5Å; L155-Q159 WeakPolarHBondContact O-CG 3.41Å; L155-Q159 PolarHBondContact O-N 3.44Å
156V86Confident81.2Confident38 Ų3878.7 Ų78.723%0.2339%0.39CS..Hα-helixtrans-68.9-40.9178.1171.90000110.9L138 I140 A152 V153 C154 Q159 K160L138-V156 HydrophobicContact CB-CG1 4.5Å; L138-V156 HydrophobicContact CD1-CG1 4.46Å; L138-V156 HydrophobicContact CD2-CG1 4.36Å; I140-V156 HydrophobicContact CD1-CB 4.05Å; I140-V156 HydrophobicContact CD1-CG1 4.49Å; I140-V156 HydrophobicContact CD1-CG2 3.78Å; I140-V156 HydrophobicContact CG1-CG2 4.27Å; A152-V156 WeakPolarHBondContact O-CG2 3.36Å; A152-V156 PolarHBondContact O-N 3.38Å; V153-V156 PolarHBondContact O-N 3.08Å; C154-V156 VanDerWaalsContact C-N 3.33Å; C154-V156 PolarHBondContact O-N 3.15Å; V156-Q159 PolarHBondContact O-N 2.94Å; V156-K160 HydrophobicContact CG1-CG 4.3Å; V156-K160 WeakPolarHBondContact O-CB 3.49Å; V156-K160 WeakPolarHBondContact O-CG 3.36Å; V156-K160 PolarHBondContact O-N 3.46Å
157I87.5Confident80.2Confident65 Ų6581.6 Ų81.633%0.33341%0.406SS..Hα-helixtrans-61.4-48.7176.3-71.3171.2000110.2I134 L138 V153 C154 Q159 K160 L161I134-I157 HydrophobicContact CG2-CD1 4.49Å; L138-I157 HydrophobicContact CD1-CD1 4.03Å; L138-I157 HydrophobicContact CD1-CG1 3.69Å; V153-I157 HydrophobicContact CG1-CD1 3.67Å; V153-I157 HydrophobicContact CG1-CG1 4.46Å; V153-I157 VanDerWaalsContact O-CG1 3.28Å; V153-I157 WeakPolarHBondContact O-CG1 3.5Å; V153-I157 PolarHBondContact O-N 2.9Å; C154-I157 PolarHBondContact O-N 3.17Å; I157-Q159 PolarHBondContact O-N 2.89Å; I157-K160 PolarHBondContact O-N 2.83Å; I157-L161 HydrophobicContact CG2-CD1 3.53Å; I157-L161 WeakPolarHBondContact O-CB 3.39Å; I157-L161 PolarHBondContact O-N 2.92Å
158E83.1Confident79.3Confident112 Ų11280 Ų8052%0.52341%0.407SS..Hα-helixtrans-56.8-48.7177.2-75.1171.9-178.100111.2C154 K160 L161 E162C154-E158 WeakPolarHBondContact O-CB 3.4Å; C154-E158 WeakPolarHBondContact O-CG 3.37Å; C154-E158 PolarHBondContact O-N 3.4Å; E158-K160 PolarHBondContact O-N 3.38Å; E158-L161 PolarHBondContact O-N 2.9Å; E158-E162 WeakPolarHBondContact O-CG 3.48Å; E158-E162 PolarHBondContact O-N 2.73Å
159Q78.5Confident78Confident110 Ų11077.6 Ų77.651%0.51440%0.401SS..Hα-helixtrans-60.6-41.9176.8-76.2178.72.300112.9L155 V156 I157 V163L155-Q159 WeakPolarHBondContact O-CB 3.5Å; L155-Q159 WeakPolarHBondContact O-CG 3.41Å; L155-Q159 PolarHBondContact O-N 3.44Å; V156-Q159 PolarHBondContact O-N 2.94Å; I157-Q159 PolarHBondContact O-N 2.89Å; Q159-V163 VanDerWaalsContact O-CG2 3.29Å; Q159-V163 WeakPolarHBondContact O-CG2 3.42Å; Q159-V163 PolarHBondContact O-N 2.89Å; Q159-V163 VanDerWaalsContact O-N 3.12Å
160K80.3Confident76.8Confident133 Ų13380.2 Ų80.258%0.57841%0.414SS*.Hα-helixtrans-67.3-39179-71.4-77.6-179.3178.20111.7V156 I157 E158 N164V156-K160 HydrophobicContact CG1-CG 4.3Å; V156-K160 WeakPolarHBondContact O-CB 3.49Å; V156-K160 WeakPolarHBondContact O-CG 3.36Å; V156-K160 PolarHBondContact O-N 3.46Å; I157-K160 PolarHBondContact O-N 2.83Å; E158-K160 PolarHBondContact O-N 3.38Å; K160-N164 PolarHBondContact O-N 3.19Å; K160-N164 PolarHBondContact O-ND2 3.38Å
161L77.7Confident75.8Confident95 Ų9585.2 Ų85.250%0.49744%0.436SS..Hα-helixtrans-68.3-42.5176.1-93.7139.5000112I157 E158 V163 N164 I165I157-L161 HydrophobicContact CG2-CD1 3.53Å; I157-L161 WeakPolarHBondContact O-CB 3.39Å; I157-L161 PolarHBondContact O-N 2.92Å; E158-L161 PolarHBondContact O-N 2.9Å; L161-V163 VanDerWaalsContact C-N 3.3Å; L161-V163 PolarHBondContact O-N 3.37Å; L161-N164 PolarHBondContact O-N 3.1Å; L161-N164 VanDerWaalsContact O-N 3.14Å; L161-I165 VanDerWaalsContact O-CG1 3.27Å; L161-I165 WeakPolarHBondContact O-CG1 3.4Å; L161-I165 PolarHBondContact O-N 3.47Å
162E70.7Confident74.7Confident112 Ų11284.4 Ų84.452%0.52344%0.438SS..Hα-helixtrans-57.9-44174.2-76.5-177.7172.400111.6E158 N164 I165 L166E158-E162 WeakPolarHBondContact O-CG 3.48Å; E158-E162 PolarHBondContact O-N 2.73Å; E162-N164 VanDerWaalsContact C-N 3.32Å; E162-N164 PolarHBondContact O-N 3.43Å; E162-I165 PolarHBondContact O-N 3.25Å; E162-L166 WeakPolarHBondContact O-CB 3.28Å; E162-L166 VanDerWaalsContact O-CG 3.3Å; E162-L166 WeakPolarHBondContact O-CG 3.39Å; E162-L166 PolarHBondContact O-N 3.35Å
163V68.5Low73.5Confident76 Ų7692.5 Ų92.546%0.46146%0.464SS..Hα-helixtrans-63.7-38.7176.51730000111.5Q159 L161 L166 N167Q159-V163 VanDerWaalsContact O-CG2 3.29Å; Q159-V163 WeakPolarHBondContact O-CG2 3.42Å; Q159-V163 PolarHBondContact O-N 2.89Å; Q159-V163 VanDerWaalsContact O-N 3.12Å; L161-V163 VanDerWaalsContact C-N 3.3Å; L161-V163 PolarHBondContact O-N 3.37Å; V163-L166 PolarHBondContact O-N 3.49Å; V163-N167 WeakPolarHBondContact O-CB 3.36Å; V163-N167 PolarHBondContact O-N 3.14Å; V163-N167 PolarHBondContact O-ND2 3.11Å
164N66.8Low71.6Confident84 Ų8494.6 Ų94.645%0.44949%0.485SS..Hα-helixtrans-67-43.9176.9-69.4-19.9000112K160 L161 E162 L166 N167 D168K160-N164 PolarHBondContact O-N 3.19Å; K160-N164 PolarHBondContact O-ND2 3.38Å; L161-N164 PolarHBondContact O-N 3.1Å; L161-N164 VanDerWaalsContact O-N 3.14Å; E162-N164 VanDerWaalsContact C-N 3.32Å; E162-N164 PolarHBondContact O-N 3.43Å; N164-L166 VanDerWaalsContact C-N 3.27Å; N164-L166 PolarHBondContact O-N 2.88Å; N164-N167 PolarHBondContact O-N 2.84Å; N164-N167 VanDerWaalsContact O-N 3.12Å; N164-D168 PolarHBondContact O-N 3.28Å
165I61.8Low69.7Low110 Ų11097.2 Ų97.256%0.56450%0.5SS*.Hα-helixtrans-60.6-40.6175.7-63.8162.4000110.3L161 E162 A169L161-I165 VanDerWaalsContact O-CG1 3.27Å; L161-I165 WeakPolarHBondContact O-CG1 3.4Å; L161-I165 PolarHBondContact O-N 3.47Å; E162-I165 PolarHBondContact O-N 3.25Å; I165-A169 VanDerWaalsContact O-CB 3.27Å; I165-A169 WeakPolarHBondContact O-CB 3.37Å; I165-A169 PolarHBondContact O-N 2.89Å
166L61.9Low67.9Low108 Ų10898.3 Ų98.357%0.56552%0.515SS*.Hα-helixtrans-64.1-43.5174.2-73.6168.9000111.7E162 V163 N164 A169 I170E162-L166 WeakPolarHBondContact O-CB 3.28Å; E162-L166 VanDerWaalsContact O-CG 3.3Å; E162-L166 WeakPolarHBondContact O-CG 3.39Å; E162-L166 PolarHBondContact O-N 3.35Å; V163-L166 PolarHBondContact O-N 3.49Å; N164-L166 VanDerWaalsContact C-N 3.27Å; N164-L166 PolarHBondContact O-N 2.88Å; L166-A169 PolarHBondContact O-N 3.47Å; L166-I170 VanDerWaalsContact O-CB 3.3Å; L166-I170 WeakPolarHBondContact O-CB 3.43Å; L166-I170 WeakPolarHBondContact O-CD1 3.38Å; L166-I170 WeakPolarHBondContact O-CG1 3.43Å; L166-I170 PolarHBondContact O-N 2.86Å
167N66.6Low66.2Low85 Ų85105 Ų10546%0.45554%0.541SS..Hα-helixtrans-64.3-40.4177.9-73-26.9000112.4V163 N164 I170 K171V163-N167 WeakPolarHBondContact O-CB 3.36Å; V163-N167 PolarHBondContact O-N 3.14Å; V163-N167 PolarHBondContact O-ND2 3.11Å; N164-N167 PolarHBondContact O-N 2.84Å; N164-N167 VanDerWaalsContact O-N 3.12Å; N167-I170 PolarHBondContact O-N 3.28Å; N167-K171 WeakPolarHBondContact O-CB 3.49Å; N167-K171 PolarHBondContact O-N 3.5Å
168D67Low64.5Low94 Ų94108.3 Ų108.350%0.50356%0.558SS.*Hα-helixtrans-68-42.7176.3-70.6-25.3000110.8N164 I170 K171 D172N164-D168 PolarHBondContact O-N 3.28Å; D168-I170 VanDerWaalsContact C-N 3.32Å; D168-I170 PolarHBondContact O-N 3.37Å; D168-K171 WeakPolarHBondContact O-CB 3.34Å; D168-K171 PolarHBondContact O-N 2.64Å; D168-K171 VanDerWaalsContact O-N 3.1Å; D168-D172 WeakPolarHBondContact O-CB 3.36Å; D168-D172 PolarHBondContact O-N 3.23Å
169A59.1Low63.2Low38 Ų38109.2 Ų109.231%0.31457%0.567SS.*Hα-helixtrans-62.3-39173.200000112.3I165 L166 K171 D172 Y173I165-A169 VanDerWaalsContact O-CB 3.27Å; I165-A169 WeakPolarHBondContact O-CB 3.37Å; I165-A169 PolarHBondContact O-N 2.89Å; L166-A169 PolarHBondContact O-N 3.47Å; A169-K171 VanDerWaalsContact C-N 3.28Å; A169-K171 PolarHBondContact O-N 2.89Å; A169-D172 PolarHBondContact O-N 3.4Å; A169-Y173 HydrophobicContact CB-CD2 4.3Å; A169-Y173 WeakPolarHBondContact O-CB 3.34Å; A169-Y173 VanDerWaalsContact O-CD2 3.28Å; A169-Y173 WeakPolarHBondContact O-CD2 3.29Å; A169-Y173 PolarHBondContact O-N 2.98Å
170I65.3Low62.1Low57 Ų57112.5 Ų112.529%0.29258%0.584SS.*Hα-helixtrans-62.6-38.1174.3-75.5164.5000111L166 N167 D168 G174 T175 I178L166-I170 VanDerWaalsContact O-CB 3.3Å; L166-I170 WeakPolarHBondContact O-CB 3.43Å; L166-I170 WeakPolarHBondContact O-CD1 3.38Å; L166-I170 WeakPolarHBondContact O-CG1 3.43Å; L166-I170 PolarHBondContact O-N 2.86Å; N167-I170 PolarHBondContact O-N 3.28Å; D168-I170 VanDerWaalsContact C-N 3.32Å; D168-I170 PolarHBondContact O-N 3.37Å; I170-G174 CarbonylContact O-C 3.4Å; I170-G174 WeakPolarHBondContact O-CA 3.41Å; I170-G174 PolarHBondContact O-N 3.01Å; I170-G174 VanDerWaalsContact O-N 3.15Å; I170-T175 HydrophobicContact CG2-CG2 3.22Å; I170-T175 PolarHBondContact O-N 2.96Å; I170-I178 HydrophobicContact CD1-CD1 4.24Å
171K69Low61.3Low173 Ų173111.9 Ų111.975%0.75259%0.586SS**Hα-helixtrans-70.3-39.3178.7-163.7-177.4-179.6-172.80112.1N167 D168 A169N167-K171 WeakPolarHBondContact O-CB 3.49Å; N167-K171 PolarHBondContact O-N 3.5Å; D168-K171 WeakPolarHBondContact O-CB 3.34Å; D168-K171 PolarHBondContact O-N 2.64Å; D168-K171 VanDerWaalsContact O-N 3.1Å; A169-K171 VanDerWaalsContact C-N 3.28Å; A169-K171 PolarHBondContact O-N 2.89Å
172D67.1Low60.9Low125 Ų125114.1 Ų114.167%0.66859%0.592SS**Hα-helixtrans-83.9-34.1-175.3-71.2-14.9000113.4D168 A169D168-D172 WeakPolarHBondContact O-CB 3.36Å; D168-D172 PolarHBondContact O-N 3.23Å; A169-D172 PolarHBondContact O-N 3.4Å
173Y59.4Low60.9Low201 Ų201113.1 Ų113.179%0.78859%0.59SS**Hα-helixtrans-104.7-0.6-176.4-62.2-74.6000114.2A169A169-Y173 HydrophobicContact CB-CD2 4.3Å; A169-Y173 WeakPolarHBondContact O-CB 3.34Å; A169-Y173 VanDerWaalsContact O-CD2 3.28Å; A169-Y173 WeakPolarHBondContact O-CD2 3.29Å; A169-Y173 PolarHBondContact O-N 2.98Å
174G52.2Low61Low45 Ų45116.5 Ų116.546%0.46461%0.605SS.*  trans75.4134.5-176.900000111.7I170 S176I170-G174 CarbonylContact O-C 3.4Å; I170-G174 WeakPolarHBondContact O-CA 3.41Å; I170-G174 PolarHBondContact O-N 3.01Å; I170-G174 VanDerWaalsContact O-N 3.15Å; G174-S176 PolarHBondContact O-N 2.99Å
175T49.2Very low61.5Low96 Ų96117.5 Ų117.559%0.58961%0.611SS**  trans-57.598.7168.744.10000109.1I170 K177I170-T175 HydrophobicContact CG2-CG2 3.22Å; I170-T175 PolarHBondContact O-N 2.96Å; T175-K177 PolarHBondContact O-N 3.44Å
176S49.2Very low62.1Low108 Ų108113.2 Ų113.276%0.75559%0.589SS**  trans-53108.8136.3-68.70000103.6G174 I178G174-S176 PolarHBondContact O-N 2.99Å; S176-I178 VanDerWaalsContact C-N 3.34Å; S176-I178 PolarHBondContact O-N 3.18Å
177K49.6Very low63Low178 Ų178113 Ų11377%0.77460%0.596SS**  trans-48104.2-176.8-77.3178.8175.8179.20107.1T175 D179T175-K177 PolarHBondContact O-N 3.44Å; K177-D179 PolarHBondContact O-N 2.91Å
178I52.5Low63.6Low134 Ų134109.9 Ų109.969%0.68758%0.579SS**  trans-70.991.9164-58.3170.1000101.1I170 S176 M180I170-I178 HydrophobicContact CD1-CD1 4.24Å; S176-I178 VanDerWaalsContact C-N 3.34Å; S176-I178 PolarHBondContact O-N 3.18Å; I178-M180 PolarHBondContact O-N 3.05Å
179D55.3Low64.3Low132 Ų132109 Ų10971%0.70659%0.592SS**  trans-50.9113.6173.2-85.7-27.5000105.5K177 L181K177-D179 PolarHBondContact O-N 2.91Å; D179-L181 VanDerWaalsContact C-N 3.34Å; D179-L181 PolarHBondContact O-N 2.84Å
180M55.4Low65.5Low179 Ų179113.1 Ų113.188%0.88260%0.603SS**  trans-56.8106.6175.1-91.7179.616800105.8I178 K182I178-M180 PolarHBondContact O-N 3.05Å; M180-K182 PolarHBondContact O-N 3.38Å
181L63.5Low66.2Low119 Ų119116.2 Ų116.262%0.62363%0.63SS**  trans-51.3114.6177.4-82.7159.6000107.5D179 D185D179-L181 VanDerWaalsContact C-N 3.34Å; D179-L181 PolarHBondContact O-N 2.84Å; L181-D185 HydrophobicContact CD2-CB 4.19Å
182K69.8Low66.9Low143 Ų143109.3 Ų109.362%0.62260%0.602SS**  trans-71.7151.6171.6-61.9178.8-179.51760107.3M180 D184 D185M180-K182 PolarHBondContact O-N 3.38Å; K182-D184 PolarHBondContact O-N 2.92Å; K182-D184 VanDerWaalsContact O-N 3.13Å; K182-D185 WeakPolarHBondContact CB-OD2 3.3Å; K182-D185 PolarHBondContact N-OD2 3.33Å; K182-D185 VanDerWaalsContact N-OD2 3.1Å; K182-D185 WeakPolarHBondContact O-CB 3.37Å; K182-D185 PolarHBondContact O-N 3.32Å
183L69.3Low67.6Low91 Ų91113.4 Ų113.448%0.47661%0.614SS.*G310 helixtrans-52.5-38.6-179.9-129.670.9000111.1D185 V186 A199 V202L183-D185 VanDerWaalsContact C-N 3.26Å; L183-D185 PolarHBondContact O-N 3.03Å; L183-V186 PolarHBondContact O-N 3.32Å; L183-A199 HydrophobicContact CD2-CB 3.76Å; L183-V202 HydrophobicContact CD1-CG1 3.95Å; L183-V202 HydrophobicContact CG-CB 4.25Å; L183-V202 HydrophobicContact CG-CG1 4.01Å; L183-V202 HydrophobicContact CG-CG2 4.29Å
184D70.8Confident69.1Low147 Ų147107.5 Ų107.579%0.78660%0.596SS**G310 helixtrans-68.2-21.9-178.3-42.1-19.1000113.4K182 V186K182-D184 PolarHBondContact O-N 2.92Å; K182-D184 VanDerWaalsContact O-N 3.13Å; D184-V186 VanDerWaalsContact C-N 3.31Å
185D76.8Confident70.7Confident104 Ų104109.9 Ų109.956%0.55660%0.603SS**G310 helixtrans-81.2-15.3179.6-59.4-35.5000111.8L181 K182 L183 C187L181-D185 HydrophobicContact CD2-CB 4.19Å; K182-D185 WeakPolarHBondContact CB-OD2 3.3Å; K182-D185 PolarHBondContact N-OD2 3.33Å; K182-D185 VanDerWaalsContact N-OD2 3.1Å; K182-D185 WeakPolarHBondContact O-CB 3.37Å; K182-D185 PolarHBondContact O-N 3.32Å; L183-D185 VanDerWaalsContact C-N 3.26Å; L183-D185 PolarHBondContact O-N 3.03Å; D185-C187 PolarHBondContact O-N 3.2Å
186V75.8Confident72.5Confident20 Ų20110.6 Ų110.612%0.12161%0.608CS.*SBendtrans-88.3102.9-175-174.10000110.4L183 D184 L188 V202 R205 L206L183-V186 PolarHBondContact O-N 3.32Å; D184-V186 VanDerWaalsContact C-N 3.31Å; V186-L188 PolarHBondContact O-N 2.79Å; V186-L188 VanDerWaalsContact O-N 3.08Å; V186-V202 HydrophobicContact CB-CG1 3.83Å; V186-V202 HydrophobicContact CB-CG2 4.47Å; V186-V202 HydrophobicContact CG1-CG1 4Å; V186-V202 HydrophobicContact CG2-CG1 3.96Å; V186-R205 HydrophobicContact CG1-CG 4.28Å; V186-L206 HydrophobicContact CG1-CD2 4.18Å; V186-L206 HydrophobicContact CG1-CG 4.37Å; V186-L206 HydrophobicContact CG2-CD1 4.49Å; V186-L206 HydrophobicContact CG2-CD2 4.12Å
187C79.7Confident74.4Confident104 Ų104109 Ų10970%0.70359%0.593SS**  trans-65.5109.8177.3-175.40000112.1D185D185-C187 PolarHBondContact O-N 3.2Å
188L79.7Confident76.2Confident20 Ų20104.5 Ų104.511%0.10558%0.575CS.*  trans-77.2-29.8174.7-75.6172.1000113.3V186 F190 E198 A201 V202 R205V186-L188 PolarHBondContact O-N 2.79Å; V186-L188 VanDerWaalsContact O-N 3.08Å; L188-F190 HydrophobicContact CB-CD1 4.36Å; L188-F190 HydrophobicContact CB-CE1 4.23Å; L188-F190 HydrophobicContact CB-CZ 4.36Å; L188-F190 HydrophobicContact CD2-CE1 4.4Å; L188-F190 HydrophobicContact CD2-CZ 4.08Å; L188-F190 WeakPolarHBondContact O-CD1 3.47Å; L188-F190 WeakPolarHBondContact O-CE1 3.45Å; L188-F190 PolarHBondContact O-N 3.06Å; L188-E198 HydrophobicContact CD1-CG 3.97Å; L188-A201 HydrophobicContact CD1-CB 4.08Å; L188-A201 VanDerWaalsContact CD2-C 3.48Å; L188-A201 HydrophobicContact CD2-CB 3.78Å; L188-A201 WeakPolarHBondContact CD2-O 3.38Å; L188-V202 HydrophobicContact CD1-CG2 3.83Å; L188-V202 HydrophobicContact CD2-CG2 4Å; L188-V202 HydrophobicContact CG-CG2 3.93Å; L188-R205 HydrophobicContact CD2-CB 4.12Å
189G81.9Confident77.8Confident75 Ų7599.9 Ų99.977%0.77356%0.556SS**SBendtrans75.20.6-174.500000114.6
190F84.3Confident79.4Confident124 Ų12496 Ų9654%0.54454%0.543SS..SBendtrans-141.4155.6171.155.2-89.1000109.5L188 V192 A201L188-F190 HydrophobicContact CB-CD1 4.36Å; L188-F190 HydrophobicContact CB-CE1 4.23Å; L188-F190 HydrophobicContact CB-CZ 4.36Å; L188-F190 HydrophobicContact CD2-CE1 4.4Å; L188-F190 HydrophobicContact CD2-CZ 4.08Å; L188-F190 WeakPolarHBondContact O-CD1 3.47Å; L188-F190 WeakPolarHBondContact O-CE1 3.45Å; L188-F190 PolarHBondContact O-N 3.06Å; F190-V192 HydrophobicContact CD2-CG2 3.58Å; F190-V192 HydrophobicContact CE2-CG2 3.44Å; F190-V192 VanDerWaalsContact CE2-CG2 3.44Å; F190-A201 HydrophobicContact CE2-CB 4Å; F190-A201 HydrophobicContact CZ-CB 3.9Å
191S80.6Confident80.9Confident122 Ų12288.1 Ų88.185%0.85351%0.506SS*.  trans-97.4129.8-179.8-173.50000110.4
192V83.2Confident82.1Confident29 Ų2982.5 Ų82.518%0.17648%0.477CS..  trans-115.6134.4175.9-175.80000107.9F190 V197 E198F190-V192 HydrophobicContact CD2-CG2 3.58Å; F190-V192 HydrophobicContact CE2-CG2 3.44Å; F190-V192 VanDerWaalsContact CE2-CG2 3.44Å; V192-V197 HydrophobicContact CG1-CB 3.68Å; V192-V197 HydrophobicContact CG1-CG1 3.67Å; V192-E198 HydrophobicContact CB-CB 4.12Å; V192-E198 HydrophobicContact CG1-CB 4.27Å
193K82.3Confident82.9Confident210 Ų21078 Ų7891%0.91347%0.466SS*.SBendtrans-86.1-27.7-177.5-65.7-175.6-179.7-178.80113.6
194D89.7Confident83.8Confident77 Ų7779.4 Ų79.441%0.41247%0.473SS..SBendtrans-93.1120.5-178.2-176-24.6000109.7V196 V197 E198D194-V196 PolarHBondContact O-N 3.29Å; D194-V196 WeakPolarHBondContact OD1-CB 3.25Å; D194-V196 PolarHBondContact OD1-N 2.99Å; D194-V197 HydrophobicContact CB-CB 4.03Å; D194-V197 HydrophobicContact CB-CG2 3.81Å; D194-V197 PolarHBondContact O-N 3.31Å; D194-V197 VanDerWaalsContact O-N 3.15Å; D194-E198 WeakPolarHBondContact O-CB 3.49Å; D194-E198 PolarHBondContact O-N 3.06Å
195P85.6Confident84.6Confident95 Ų9577.8 Ų77.862%0.61746%0.457SS*.Hα-helixtrans-57.5-33179.8-23.132.1000114.1A199P195-A199 WeakPolarHBondContact O-CB 3.5Å; P195-A199 PolarHBondContact O-N 3.39Å
196V87.4Confident85.1Confident112 Ų11276.1 Ų76.168%0.67945%0.447SS*.Hα-helixtrans-71.4-41.2179.7-179.10000110.1D194 E198 A199 A200D194-V196 PolarHBondContact O-N 3.29Å; D194-V196 WeakPolarHBondContact OD1-CB 3.25Å; D194-V196 PolarHBondContact OD1-N 2.99Å; V196-E198 VanDerWaalsContact C-N 3.35Å; V196-A199 PolarHBondContact O-N 3.27Å; V196-A200 PolarHBondContact O-N 2.97Å
197V89.4Confident85.6Confident75 Ų7580.7 Ų80.746%0.45547%0.47SS..Hα-helixtrans-70.8-35.5177.3-176.80000110.6V192 D194 A200 A201V192-V197 HydrophobicContact CG1-CB 3.68Å; V192-V197 HydrophobicContact CG1-CG1 3.67Å; D194-V197 HydrophobicContact CB-CB 4.03Å; D194-V197 HydrophobicContact CB-CG2 3.81Å; D194-V197 PolarHBondContact O-N 3.31Å; D194-V197 VanDerWaalsContact O-N 3.15Å; V197-A200 PolarHBondContact O-N 3.4Å; V197-A201 VanDerWaalsContact O-CB 3.32Å; V197-A201 WeakPolarHBondContact O-CB 3.32Å; V197-A201 PolarHBondContact O-N 2.88Å
198E87Confident86.1Confident83 Ų8379.2 Ų79.239%0.38846%0.456SS..Hα-helixtrans-61.1-48.7173.4-175.1170.9-154.600110.9L188 V192 D194 V196 A200 A201 V202L188-E198 HydrophobicContact CD1-CG 3.97Å; V192-E198 HydrophobicContact CB-CB 4.12Å; V192-E198 HydrophobicContact CG1-CB 4.27Å; D194-E198 WeakPolarHBondContact O-CB 3.49Å; D194-E198 PolarHBondContact O-N 3.06Å; V196-E198 VanDerWaalsContact C-N 3.35Å; E198-A200 VanDerWaalsContact C-N 3.33Å; E198-A200 PolarHBondContact O-N 3.42Å; E198-A201 WeakPolarHBondContact O-CB 3.16Å; E198-A201 PolarHBondContact O-N 3.47Å; E198-A201 VanDerWaalsContact O-N 3.14Å; E198-V202 WeakPolarHBondContact O-CG2 3.37Å; E198-V202 PolarHBondContact O-N 2.99Å
199A86.1Confident86.5Confident36 Ų3680.9 Ų80.930%0.29846%0.464SS..Hα-helixtrans-59.2-42.6175.800000112.5L183 P195 V196 V202 A203L183-A199 HydrophobicContact CD2-CB 3.76Å; P195-A199 WeakPolarHBondContact O-CB 3.5Å; P195-A199 PolarHBondContact O-N 3.39Å; V196-A199 PolarHBondContact O-N 3.27Å; A199-V202 PolarHBondContact O-N 2.99Å; A199-A203 PolarHBondContact O-N 3.13Å
200A88.7Confident86.7Confident51 Ų5180.3 Ų80.342%0.42144%0.443SS..Hα-helixtrans-64-41175.600000112V196 V197 E198 A203 L204V196-A200 PolarHBondContact O-N 2.97Å; V197-A200 PolarHBondContact O-N 3.4Å; E198-A200 VanDerWaalsContact C-N 3.33Å; E198-A200 PolarHBondContact O-N 3.42Å; A200-A203 PolarHBondContact O-N 3.05Å; A200-L204 WeakPolarHBondContact O-CG 3.34Å; A200-L204 PolarHBondContact O-N 3.3Å
201A88.4Confident86.7Confident13 Ų1383.4 Ų83.411%0.10745%0.451CS..Hα-helixtrans-63.1-41.8175.500000111.6L188 F190 V197 E198 L204 R205L188-A201 HydrophobicContact CD1-CB 4.08Å; L188-A201 VanDerWaalsContact CD2-C 3.48Å; L188-A201 HydrophobicContact CD2-CB 3.78Å; L188-A201 WeakPolarHBondContact CD2-O 3.38Å; F190-A201 HydrophobicContact CE2-CB 4Å; F190-A201 HydrophobicContact CZ-CB 3.9Å; V197-A201 VanDerWaalsContact O-CB 3.32Å; V197-A201 WeakPolarHBondContact O-CB 3.32Å; V197-A201 PolarHBondContact O-N 2.88Å; E198-A201 WeakPolarHBondContact O-CB 3.16Å; E198-A201 PolarHBondContact O-N 3.47Å; E198-A201 VanDerWaalsContact O-N 3.14Å; A201-L204 PolarHBondContact O-N 2.92Å; A201-R205 WeakPolarHBondContact O-CB 3.25Å; A201-R205 PolarHBondContact O-N 2.95Å
202V88.2Confident87.1Confident2 Ų282.2 Ų82.21%0.01244%0.435CS..Hα-helixtrans-62.4-46.7176.2169.80000110.1L183 V186 L188 E198 A199 L204 R205 L206L183-V202 HydrophobicContact CD1-CG1 3.95Å; L183-V202 HydrophobicContact CG-CB 4.25Å; L183-V202 HydrophobicContact CG-CG1 4.01Å; L183-V202 HydrophobicContact CG-CG2 4.29Å; V186-V202 HydrophobicContact CB-CG1 3.83Å; V186-V202 HydrophobicContact CB-CG2 4.47Å; V186-V202 HydrophobicContact CG1-CG1 4Å; V186-V202 HydrophobicContact CG2-CG1 3.96Å; L188-V202 HydrophobicContact CD1-CG2 3.83Å; L188-V202 HydrophobicContact CD2-CG2 4Å; L188-V202 HydrophobicContact CG-CG2 3.93Å; E198-V202 WeakPolarHBondContact O-CG2 3.37Å; E198-V202 PolarHBondContact O-N 2.99Å; A199-V202 PolarHBondContact O-N 2.99Å; V202-L204 PolarHBondContact O-N 3.14Å; V202-R205 WeakPolarHBondContact O-CB 3.01Å; V202-R205 PolarHBondContact O-N 3.41Å; V202-R205 VanDerWaalsContact O-N 3.16Å; V202-L206 HydrophobicContact CG1-CD1 4.01Å; V202-L206 HydrophobicContact CG1-CG 4.39Å; V202-L206 WeakPolarHBondContact O-CG 3.34Å; V202-L206 PolarHBondContact O-N 3.02Å
203A86.1Confident87.4Confident48 Ų4887.1 Ų87.140%0.39745%0.45SS..Hα-helixtrans-58.7-46.5176.700000111.8A199 A200 R205 L206 L207A199-A203 PolarHBondContact O-N 3.13Å; A200-A203 PolarHBondContact O-N 3.05Å; A203-R205 VanDerWaalsContact C-N 3.31Å; A203-R205 PolarHBondContact O-N 2.96Å; A203-L206 PolarHBondContact O-N 3.39Å; A203-L207 WeakPolarHBondContact O-CB 3.32Å; A203-L207 VanDerWaalsContact O-CG 3.31Å; A203-L207 WeakPolarHBondContact O-CG 3.35Å; A203-L207 PolarHBondContact O-N 3.45Å
204L88.1Confident87.4Confident120 Ų12081.5 Ų81.563%0.62843%0.425SS*.Hα-helixtrans-61.1-39.5176-73.9171.9000112.2A200 A201 V202 L207 N208A200-L204 WeakPolarHBondContact O-CG 3.34Å; A200-L204 PolarHBondContact O-N 3.3Å; A201-L204 PolarHBondContact O-N 2.92Å; V202-L204 PolarHBondContact O-N 3.14Å; L204-L207 PolarHBondContact O-N 2.86Å; L204-N208 WeakPolarHBondContact O-CB 3.25Å; L204-N208 PolarHBondContact O-N 3.43Å
205R88.4Confident87.3Confident114 Ų11482.8 Ų82.843%0.4343%0.432SS..Hα-helixtrans-63.7-46.3176.8-17862.3175.5-172.82.6111.4V186 L188 A201 V202 A203 N208 I209V186-R205 HydrophobicContact CG1-CG 4.28Å; L188-R205 HydrophobicContact CD2-CB 4.12Å; A201-R205 WeakPolarHBondContact O-CB 3.25Å; A201-R205 PolarHBondContact O-N 2.95Å; V202-R205 WeakPolarHBondContact O-CB 3.01Å; V202-R205 PolarHBondContact O-N 3.41Å; V202-R205 VanDerWaalsContact O-N 3.16Å; A203-R205 VanDerWaalsContact C-N 3.31Å; A203-R205 PolarHBondContact O-N 2.96Å; R205-N208 PolarHBondContact O-N 2.8Å; R205-I209 HydrophobicContact CG-CD1 4.07Å; R205-I209 WeakPolarHBondContact O-CG1 3.04Å; R205-I209 PolarHBondContact O-N 3.01Å
206L87.2Confident87.4Confident69 Ų6983.8 Ų83.836%0.36143%0.428SS..Hα-helixtrans-62.7-44.3177.6-69.8172.8000111.6V186 V202 A203 N208 I209 D210V186-L206 HydrophobicContact CG1-CD2 4.18Å; V186-L206 HydrophobicContact CG1-CG 4.37Å; V186-L206 HydrophobicContact CG2-CD1 4.49Å; V186-L206 HydrophobicContact CG2-CD2 4.12Å; V202-L206 HydrophobicContact CG1-CD1 4.01Å; V202-L206 HydrophobicContact CG1-CG 4.39Å; V202-L206 WeakPolarHBondContact O-CG 3.34Å; V202-L206 PolarHBondContact O-N 3.02Å; A203-L206 PolarHBondContact O-N 3.39Å; L206-N208 VanDerWaalsContact C-N 3.3Å; L206-N208 PolarHBondContact O-N 3.03Å; L206-I209 PolarHBondContact O-N 3.06Å; L206-D210 PolarHBondContact O-N 2.75Å
207L86.6Confident87.2Confident115 Ų11583 Ų8360%0.60242%0.42SS*.Hα-helixtrans-60-40.4174.6-73.2170.2000112A203 L204 D210 R211A203-L207 WeakPolarHBondContact O-CB 3.32Å; A203-L207 VanDerWaalsContact O-CG 3.31Å; A203-L207 WeakPolarHBondContact O-CG 3.35Å; A203-L207 PolarHBondContact O-N 3.45Å; L204-L207 PolarHBondContact O-N 2.86Å; L207-D210 PolarHBondContact O-N 2.72Å; L207-R211 PolarHBondContact O-N 3.46Å
208N90.1Very high87Confident74 Ų7485.3 Ų85.340%0.39643%0.426SS..Hα-helixtrans-66.3-41.6176.8-172.547.4000111.9L204 R205 L206 R211 L212L204-N208 WeakPolarHBondContact O-CB 3.25Å; L204-N208 PolarHBondContact O-N 3.43Å; R205-N208 PolarHBondContact O-N 2.8Å; L206-N208 VanDerWaalsContact C-N 3.3Å; L206-N208 PolarHBondContact O-N 3.03Å; N208-R211 PolarHBondContact O-N 3.33Å; N208-L212 WeakPolarHBondContact O-CG 3.45Å; N208-L212 PolarHBondContact O-N 3.15Å
209I87.6Confident87Confident54 Ų5483.6 Ų83.628%0.27743%0.426SS..Hα-helixtrans-62.7-43.1176.3-70.1166.5000111R205 L206 R211 L212 R213R205-I209 HydrophobicContact CG-CD1 4.07Å; R205-I209 WeakPolarHBondContact O-CG1 3.04Å; R205-I209 PolarHBondContact O-N 3.01Å; L206-I209 PolarHBondContact O-N 3.06Å; I209-R211 VanDerWaalsContact C-N 3.33Å; I209-R211 PolarHBondContact O-N 3.41Å; I209-L212 PolarHBondContact O-N 3.12Å; I209-R213 PolarHBondContact O-N 3.03Å
210D85.2Confident86.9Confident63 Ų6385.6 Ų85.634%0.33743%0.432SS..Hα-helixtrans-58.5-46.3174.6179.260.1000111.4L206 L207 L212 R213 K214L206-D210 PolarHBondContact O-N 2.75Å; L207-D210 PolarHBondContact O-N 2.72Å; D210-L212 PolarHBondContact O-N 2.8Å; D210-R213 PolarHBondContact O-N 2.71Å; D210-K214 PolarHBondContact O-N 3.03Å; D210-K214 IonicContact OD1-NZ 3.78Å; D210-K214 WeakPolarHBondContact OD2-CE 3.49Å; D210-K214 IonicContact OD2-NZ 2.73Å; D210-K214 PolarHBondContact OD2-NZ 3.22Å
211R83.9Confident86.5Confident190 Ų19085.6 Ų85.672%0.71743%0.432SS*.Hα-helixtrans-61-43.2177.3-172.1175.7-179.2174.6-0112.4L207 N208 I209 R213 K214 L215L207-R211 PolarHBondContact O-N 3.46Å; N208-R211 PolarHBondContact O-N 3.33Å; I209-R211 VanDerWaalsContact C-N 3.33Å; I209-R211 PolarHBondContact O-N 3.41Å; R211-R213 VanDerWaalsContact C-N 3.31Å; R211-R213 PolarHBondContact O-N 3.5Å; R211-K214 PolarHBondContact O-N 3.04Å; R211-L215 PolarHBondContact O-N 2.89Å
212L90.3Very high86.3Confident97 Ų9788.3 Ų88.351%0.50845%0.45SS..Hα-helixtrans-62.8-38.9176.5-73173.1000111.7N208 I209 D210 L215 Q216N208-L212 WeakPolarHBondContact O-CG 3.45Å; N208-L212 PolarHBondContact O-N 3.15Å; I209-L212 PolarHBondContact O-N 3.12Å; D210-L212 PolarHBondContact O-N 2.8Å; L212-L215 PolarHBondContact O-N 3.32Å; L212-Q216 WeakPolarHBondContact O-CB 3.18Å; L212-Q216 PolarHBondContact O-N 3.39Å
213R88.3Confident86.1Confident132 Ų13292.5 Ų92.550%0.49847%0.472SS..Hα-helixtrans-66.2-42.7176.6-166.4170.1-58.6120.33.8112.2I209 D210 R211 L215 Q216 N217I209-R213 PolarHBondContact O-N 3.03Å; D210-R213 PolarHBondContact O-N 2.71Å; R211-R213 VanDerWaalsContact C-N 3.31Å; R211-R213 PolarHBondContact O-N 3.5Å; R213-L215 VanDerWaalsContact C-N 3.33Å; R213-L215 PolarHBondContact O-N 3.22Å; R213-Q216 PolarHBondContact O-N 3.22Å; R213-N217 VanDerWaalsContact O-CG 3.31Å; R213-N217 PolarHBondContact O-N 3.17Å
214K82.7Confident86Confident91 Ų9194.4 Ų94.440%0.39648%0.478SS..Hα-helixtrans-60.5-43.3173.4-74.6172.2176.5160.20111.6D210 R211 N217 Q218D210-K214 PolarHBondContact O-N 3.03Å; D210-K214 IonicContact OD1-NZ 3.78Å; D210-K214 WeakPolarHBondContact OD2-CE 3.49Å; D210-K214 IonicContact OD2-NZ 2.73Å; D210-K214 PolarHBondContact OD2-NZ 3.22Å; R211-K214 PolarHBondContact O-N 3.04Å; K214-N217 PolarHBondContact O-N 3.05Å; K214-Q218 WeakPolarHBondContact O-CG 3.42Å; K214-Q218 PolarHBondContact O-N 3.36Å
215L88.2Confident85.7Confident104 Ų10494.7 Ų94.755%0.54548%0.476SS..Hα-helixtrans-62.8-43.4175.8-178.962.9000111.8R211 L212 R213 N217 Q218 A219R211-L215 PolarHBondContact O-N 2.89Å; L212-L215 PolarHBondContact O-N 3.32Å; R213-L215 VanDerWaalsContact C-N 3.33Å; R213-L215 PolarHBondContact O-N 3.22Å; L215-N217 VanDerWaalsContact C-N 3.35Å; L215-N217 PolarHBondContact O-N 3.46Å; L215-Q218 PolarHBondContact O-N 3.48Å; L215-A219 WeakPolarHBondContact O-CB 3.14Å; L215-A219 PolarHBondContact O-N 3.24Å
216Q87.7Confident85.4Confident116 Ų11693.2 Ų93.254%0.54248%0.479SS..Hα-helixtrans-60.5-44.6175.4-174.7-176.29.300111.4L212 R213 Q218 A219 N220L212-Q216 WeakPolarHBondContact O-CB 3.18Å; L212-Q216 PolarHBondContact O-N 3.39Å; R213-Q216 PolarHBondContact O-N 3.22Å; Q216-Q218 VanDerWaalsContact C-N 3.32Å; Q216-Q218 PolarHBondContact O-N 2.81Å; Q216-A219 PolarHBondContact O-N 3.03Å; Q216-N220 WeakPolarHBondContact O-CB 3.17Å; Q216-N220 VanDerWaalsContact O-CG 3.27Å; Q216-N220 PolarHBondContact O-N 3.44Å
217N82.8Confident84.9Confident95 Ų9595.3 Ų95.351%0.50849%0.487SS..Hα-helixtrans-61.3-41.5176.5-71.7-11.5000111.6R213 K214 L215 N220 A221R213-N217 VanDerWaalsContact O-CG 3.31Å; R213-N217 PolarHBondContact O-N 3.17Å; K214-N217 PolarHBondContact O-N 3.05Å; L215-N217 VanDerWaalsContact C-N 3.35Å; L215-N217 PolarHBondContact O-N 3.46Å; N217-N220 PolarHBondContact O-N 3.46Å; N217-A221 VanDerWaalsContact O-CB 3.3Å; N217-A221 WeakPolarHBondContact O-CB 3.14Å; N217-A221 PolarHBondContact O-N 3.45Å
218Q84.9Confident84.5Confident124 Ų12497.7 Ų97.758%0.57949%0.493SS*.Hα-helixtrans-64.6-41.6175.1-74.3175.8-14.700112.2K214 L215 Q216 A221 S222K214-Q218 WeakPolarHBondContact O-CG 3.42Å; K214-Q218 PolarHBondContact O-N 3.36Å; L215-Q218 PolarHBondContact O-N 3.48Å; Q216-Q218 VanDerWaalsContact C-N 3.32Å; Q216-Q218 PolarHBondContact O-N 2.81Å; Q218-A221 PolarHBondContact O-N 3.49Å; Q218-S222 WeakPolarHBondContact O-CB 3.34Å; Q218-S222 PolarHBondContact O-N 3.46Å; Q218-S222 PolarHBondContact O-OG 3.08Å
219A87.1Confident83.9Confident47 Ų47101.5 Ų101.539%0.38851%0.512SS..Hα-helixtrans-62.9-47.1175.300000111.1L215 Q216 A221 S222 I223L215-A219 WeakPolarHBondContact O-CB 3.14Å; L215-A219 PolarHBondContact O-N 3.24Å; Q216-A219 PolarHBondContact O-N 3.03Å; A219-A221 PolarHBondContact O-N 3.33Å; A219-S222 WeakPolarHBondContact O-CB 3.42Å; A219-S222 PolarHBondContact O-N 2.76Å; A219-I223 VanDerWaalsContact O-CG1 3.32Å; A219-I223 WeakPolarHBondContact O-CG1 3.27Å; A219-I223 PolarHBondContact O-N 2.83Å
220N84.1Confident83.3Confident78 Ų78103.9 Ų103.942%0.41753%0.53SS..Hα-helixtrans-59.9-45.9176.1-71.9-14.2000111.7Q216 N217 S222 I223 V224Q216-N220 WeakPolarHBondContact O-CB 3.17Å; Q216-N220 VanDerWaalsContact O-CG 3.27Å; Q216-N220 PolarHBondContact O-N 3.44Å; N217-N220 PolarHBondContact O-N 3.46Å; N220-S222 VanDerWaalsContact C-N 3.31Å; N220-S222 PolarHBondContact O-N 3.36Å; N220-I223 PolarHBondContact O-N 2.88Å; N220-V224 WeakPolarHBondContact O-CG2 3.25Å; N220-V224 PolarHBondContact O-N 2.91Å
221A81.1Confident81.8Confident51 Ų51103.8 Ų103.842%0.42154%0.538SS..Hα-helixtrans-61.4-40.4176.400000111.8N217 Q218 A219 V224 H225N217-A221 VanDerWaalsContact O-CB 3.3Å; N217-A221 WeakPolarHBondContact O-CB 3.14Å; N217-A221 PolarHBondContact O-N 3.45Å; Q218-A221 PolarHBondContact O-N 3.49Å; A219-A221 PolarHBondContact O-N 3.33Å; A221-V224 PolarHBondContact O-N 2.88Å; A221-H225 WeakPolarHBondContact O-CB 3.39Å; A221-H225 PolarHBondContact O-CD2 3.05Å; A221-H225 PolarHBondContact O-N 3.32Å
222S83.4Confident80.4Confident70 Ų70100.5 Ų100.549%0.4953%0.534SS..Hα-helixtrans-64.6-42.4176.4-57.70000111.6Q218 A219 N220 H225 V226Q218-S222 WeakPolarHBondContact O-CB 3.34Å; Q218-S222 PolarHBondContact O-N 3.46Å; Q218-S222 PolarHBondContact O-OG 3.08Å; A219-S222 WeakPolarHBondContact O-CB 3.42Å; A219-S222 PolarHBondContact O-N 2.76Å; N220-S222 VanDerWaalsContact C-N 3.31Å; N220-S222 PolarHBondContact O-N 3.36Å; S222-H225 PolarHBondContact O-N 3.03Å; S222-V226 WeakPolarHBondContact O-CG2 3.19Å; S222-V226 PolarHBondContact O-N 3.03Å
223I85.7Confident78.5Confident91 Ų91101.5 Ų101.547%0.46755%0.547SS..Hα-helixtrans-59.5-47.9174.9-69.8164.7000110.4A219 N220 H225 V226 Q227A219-I223 VanDerWaalsContact O-CG1 3.32Å; A219-I223 WeakPolarHBondContact O-CG1 3.27Å; A219-I223 PolarHBondContact O-N 2.83Å; N220-I223 PolarHBondContact O-N 2.88Å; I223-H225 VanDerWaalsContact C-N 3.3Å; I223-H225 PolarHBondContact O-N 3.49Å; I223-V226 PolarHBondContact O-N 3.34Å; I223-Q227 HydrophobicContact CG2-CG 4.35Å; I223-Q227 WeakPolarHBondContact O-CB 3.23Å; I223-Q227 VanDerWaalsContact O-CG 3.3Å; I223-Q227 WeakPolarHBondContact O-CG 3.42Å; I223-Q227 PolarHBondContact O-N 3.23Å
224V83.2Confident76.7Confident88 Ų88103.3 Ų103.353%0.53356%0.558SS.*Hα-helixtrans-61-40.2177.71720000111.3N220 A221 Q227 K228N220-V224 WeakPolarHBondContact O-CG2 3.25Å; N220-V224 PolarHBondContact O-N 2.91Å; A221-V224 PolarHBondContact O-N 2.88Å; V224-Q227 PolarHBondContact O-N 3.19Å; V224-K228 WeakPolarHBondContact O-CB 3.45Å; V224-K228 PolarHBondContact O-N 3.19Å
225H81Confident75.1Confident126 Ų126104.3 Ų104.358%0.58357%0.572SS**Hα-helixtrans-63.9-44.4175.4-96.5-73.5000112.8A221 S222 I223 K228 L229A221-H225 WeakPolarHBondContact O-CB 3.39Å; A221-H225 PolarHBondContact O-CD2 3.05Å; A221-H225 PolarHBondContact O-N 3.32Å; S222-H225 PolarHBondContact O-N 3.03Å; I223-H225 VanDerWaalsContact C-N 3.3Å; I223-H225 PolarHBondContact O-N 3.49Å; H225-K228 WeakPolarHBondContact O-CB 3.5Å; H225-K228 PolarHBondContact O-N 3.4Å; H225-L229 WeakPolarHBondContact O-CG 3.28Å; H225-L229 PolarHBondContact O-N 3.11Å; H225-L229 VanDerWaalsContact O-N 3.14Å
226V82.5Confident72.8Confident83 Ų83103.7 Ų103.750%0.50357%0.569SS.*Hα-helixtrans-62-47.2175.2171.20000110S222 I223 K228 L229 T230S222-V226 WeakPolarHBondContact O-CG2 3.19Å; S222-V226 PolarHBondContact O-N 3.03Å; I223-V226 PolarHBondContact O-N 3.34Å; V226-K228 PolarHBondContact O-N 3.29Å; V226-L229 PolarHBondContact O-N 3.19Å; V226-T230 HydrophobicContact CG1-CG2 4.02Å; V226-T230 WeakPolarHBondContact O-CG2 3.47Å; V226-T230 PolarHBondContact O-N 2.88Å; V226-T230 PolarHBondContact O-OG1 3.32Å
227Q76.9Confident71.2Confident112 Ų112107 Ų10752%0.52359%0.585SS.*Hα-helixtrans-55.7-40.8175.9-75.5174.6-22.200111.8I223 V224 L229 T230 A231I223-Q227 HydrophobicContact CG2-CG 4.35Å; I223-Q227 WeakPolarHBondContact O-CB 3.23Å; I223-Q227 VanDerWaalsContact O-CG 3.3Å; I223-Q227 WeakPolarHBondContact O-CG 3.42Å; I223-Q227 PolarHBondContact O-N 3.23Å; V224-Q227 PolarHBondContact O-N 3.19Å; Q227-L229 VanDerWaalsContact C-N 3.3Å; Q227-L229 PolarHBondContact O-N 3.25Å; Q227-T230 PolarHBondContact O-N 3.39Å; Q227-A231 WeakPolarHBondContact O-CA 3.46Å; Q227-A231 WeakPolarHBondContact O-CB 3.24Å; Q227-A231 PolarHBondContact O-N 3.29Å
228K77.9Confident69.8Low165 Ų165113.2 Ų113.272%0.71760%0.601SS**Hα-helixtrans-65.3-31.9176.9-169.7176.7-178.3179.20113.2V224 H225 V226V224-K228 WeakPolarHBondContact O-CB 3.45Å; V224-K228 PolarHBondContact O-N 3.19Å; H225-K228 WeakPolarHBondContact O-CB 3.5Å; H225-K228 PolarHBondContact O-N 3.4Å; V226-K228 PolarHBondContact O-N 3.29Å
229L77.8Confident67.8Low155 Ų155113.6 Ų113.681%0.81261%0.606SS**Hα-helixtrans-81.9-35.1177.3-70170.6000112.5H225 V226 Q227H225-L229 WeakPolarHBondContact O-CG 3.28Å; H225-L229 PolarHBondContact O-N 3.11Å; H225-L229 VanDerWaalsContact O-N 3.14Å; V226-L229 PolarHBondContact O-N 3.19Å; Q227-L229 VanDerWaalsContact C-N 3.3Å; Q227-L229 PolarHBondContact O-N 3.25Å
230T75.2Confident65.8Low104 Ų104115.3 Ų115.364%0.63863%0.629SS**Hα-helixtrans-91.2-16.8-177.359.20000113.5V226 Q227 D232V226-T230 HydrophobicContact CG1-CG2 4.02Å; V226-T230 WeakPolarHBondContact O-CG2 3.47Å; V226-T230 PolarHBondContact O-N 2.88Å; V226-T230 PolarHBondContact O-OG1 3.32Å; Q227-T230 PolarHBondContact O-N 3.39Å; T230-D232 PolarHBondContact O-N 2.79Å
231A53.4Low63.8Low61 Ų61120.6 Ų120.650%0.50465%0.648SS.*  trans-69.9101.417100000108.3Q227 P233Q227-A231 WeakPolarHBondContact O-CA 3.46Å; Q227-A231 WeakPolarHBondContact O-CB 3.24Å; Q227-A231 PolarHBondContact O-N 3.29Å; A231-P233 WeakPolarHBondContact O-CD 3.39Å
232D54.5Low62.5Low120 Ų120124.6 Ų124.664%0.64267%0.667SS**  trans-64.1109.2163.6-169.52.2000107.2T230 K234T230-D232 PolarHBondContact O-N 2.79Å; D232-K234 PolarHBondContact O-N 3.46Å
233P51.3Low61.2Low119 Ų119124.5 Ų124.577%0.77368%0.676SS**  trans-79.855.5179.935.7-31.5000108.8A231A231-P233 WeakPolarHBondContact O-CD 3.39Å
234K49.2Very low58.9Low169 Ų169134 Ų13474%0.73572%0.715SS**  trans-102.764.6162.8-78-175.9178.3174.90108.2D232 D236D232-K234 PolarHBondContact O-N 3.46Å; K234-D236 PolarHBondContact O-N 3.22Å
235T48.8Very low57.7Low112 Ų112136.3 Ų136.369%0.68772%0.724SS**  trans-66.395.4150.3-50.70000105.4E237T235-E237 VanDerWaalsContact C-N 3.32Å; T235-E237 PolarHBondContact O-N 3.43Å
236D41.2Very low56.5Low91 Ų91136.8 Ų136.849%0.48773%0.732SS.*  trans-63.396.5170.7-166.6-7.5000107.1K234 R238 L239K234-D236 PolarHBondContact O-N 3.22Å; D236-R238 PolarHBondContact O-N 3.14Å; D236-R238 WeakPolarHBondContact OD1-CB 3.49Å; D236-R238 PolarHBondContact OD1-N 3.37Å; D236-L239 PolarHBondContact O-N 2.99Å
237E52.9Low55Low187 Ų187139.8 Ų139.887%0.87474%0.744SS**THydrogen-bonded Turntrans-56.4-10.1178.5-69-168.1169.100112.7T235 L239T235-E237 VanDerWaalsContact C-N 3.32Å; T235-E237 PolarHBondContact O-N 3.43Å; E237-L239 VanDerWaalsContact C-N 3.3Å
238R52.9Low53.8Low224 Ų224141.5 Ų141.585%0.84576%0.757SS**THydrogen-bonded Turntrans-72.4-19.4171.9-64.8-179.671.3144.5-0.2113.8D236D236-R238 PolarHBondContact O-N 3.14Å; D236-R238 WeakPolarHBondContact OD1-CB 3.49Å; D236-R238 PolarHBondContact OD1-N 3.37Å
239L44.6Very low52.2Low133 Ų133140 Ų14070%0.69676%0.76SS**SBendtrans-104.685.2176.9-74.5164.1000108.8D236 E237 K241D236-L239 PolarHBondContact O-N 2.99Å; E237-L239 VanDerWaalsContact C-N 3.3Å; L239-K241 PolarHBondContact O-N 3.11Å
240G43.8Very low50.5Low83 Ų83139 Ų13986%0.85676%0.756SS**  trans-65.648174.100000114.5
241K42.9Very low48.8Very low189 Ų189141.5 Ų141.582%0.82277%0.765SS**  trans-152.2105.1169.6-107-172.6176.1-173.40109L239L239-K241 PolarHBondContact O-N 3.11Å
242V53.1Low48.4Very low135 Ų135147.7 Ų147.782%0.81879%0.785SS**  trans-78.7116.1151.7-810000106.7
243G56.1Low47.9Very low67 Ų67150 Ų15069%0.69180%0.797SS**  trans-71153.3173.700000110.9
244F38.4Very low47.6Very low291 Ų291152.8 Ų152.8100%1.27680%0.799SS**  cis-114.4017-77.4-97.8000113.3

Retrieved 244 of 244 residues in 70.8 ms (Link to these results)

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