A0A060YQA5_ONCMY Loading...

Intraflagellar transport protein 81 homolog

Component of the intraflagellar transport (IFT) complex B: together with IFT74, forms a tubulin-binding module that specifically mediates transport of tubulin within the cilium. Binds tubulin via its CH (calponin-homology)-like region. Required for ciliogenesis. Required for proper regulation of SHH signaling. Plays an important role during spermatogenesis by modulating the assembly and elongation of the sperm flagella.

AlphaFold DB , UniProt , Accession A0A060YQA5, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene ift81, Length 676 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
1M51.3Low76.8Confident178 Ų17876.7 Ų76.788%0.87738%0.377SS*.  0-64.80-65.9-137.2-77.700113.6E3 Q4 L5M1-E3 PolarHBondContact O-N 2.94Å; M1-Q4 PolarHBondContact O-N 3.22Å; M1-L5 PolarHBondContact O-N 3.37Å
2S65.1Low77.2Confident76 Ų7670.4 Ų70.453%0.53135%0.346SS..Hα-helixtrans-55.5-45.1-176.5-173.70000114L5 K6S2-L5 PolarHBondContact O-N 2.96Å; S2-K6 WeakPolarHBondContact O-CG 3.32Å; S2-K6 PolarHBondContact O-N 3.03Å
3E74.1Confident77.7Confident161 Ų16169 Ų6975%0.75234%0.341SS*.Hα-helixtrans-69.3-35.9178.8-63.7-177.7153.300113.5M1 K6 F7M1-E3 PolarHBondContact O-N 2.94Å; E3-K6 PolarHBondContact O-N 3.08Å; E3-F7 WeakPolarHBondContact O-CB 3.29Å; E3-F7 PolarHBondContact O-N 3.13Å
4Q78.2Confident78Confident77 Ų7770.6 Ų70.636%0.3635%0.345SS..Hα-helixtrans-63.9-42.5175.3-70.3162.3-47.600111.1M1 F7 I8M1-Q4 PolarHBondContact O-N 3.22Å; Q4-F7 PolarHBondContact O-N 2.92Å; Q4-I8 WeakPolarHBondContact O-CD1 3.24Å; Q4-I8 WeakPolarHBondContact O-CG1 3.42Å; Q4-I8 PolarHBondContact O-N 3.29Å
5L79.3Confident77.1Confident30 Ų3073.9 Ų73.916%0.15737%0.365CS..Hα-helixtrans-64.8-44.4174.8-81.5160.6000112M1 S2 F7 I8 V9 L23 F26M1-L5 PolarHBondContact O-N 3.37Å; S2-L5 PolarHBondContact O-N 2.96Å; L5-F7 VanDerWaalsContact C-N 3.34Å; L5-F7 PolarHBondContact O-N 3.45Å; L5-I8 PolarHBondContact O-N 3.09Å; L5-V9 WeakPolarHBondContact O-CB 3.33Å; L5-V9 WeakPolarHBondContact O-CG2 3.3Å; L5-V9 PolarHBondContact O-N 2.98Å; L5-L23 HydrophobicContact CB-CD2 4.19Å; L5-F26 HydrophobicContact CD2-CD1 3.75Å; L5-F26 HydrophobicContact CD2-CE1 3.82Å
6K80.8Confident76.8Confident110 Ų11072.9 Ų72.948%0.47837%0.365SS..Hα-helixtrans-55.8-48.8172.6-74.8173.4179.4-1780111.4S2 E3 I8 V9 E10 L23S2-K6 WeakPolarHBondContact O-CG 3.32Å; S2-K6 PolarHBondContact O-N 3.03Å; E3-K6 PolarHBondContact O-N 3.08Å; K6-I8 PolarHBondContact O-N 3.39Å; K6-V9 PolarHBondContact O-N 3.48Å; K6-E10 WeakPolarHBondContact O-CB 3.39Å; K6-E10 PolarHBondContact O-N 2.95Å; K6-L23 HydrophobicContact CG-CD1 4.07Å; K6-L23 HydrophobicContact CG-CD2 3.88Å
7F83.6Confident76.8Confident54 Ų5470.1 Ų70.124%0.23735%0.35CS..Hα-helixtrans-61.4-44.7179.7-176.1-87.4000112.6E3 Q4 L5 E10 H11 H103 L106 Q107E3-F7 WeakPolarHBondContact O-CB 3.29Å; E3-F7 PolarHBondContact O-N 3.13Å; Q4-F7 PolarHBondContact O-N 2.92Å; L5-F7 VanDerWaalsContact C-N 3.34Å; L5-F7 PolarHBondContact O-N 3.45Å; F7-E10 PolarHBondContact O-N 2.88Å; F7-H11 AromaticContact CD1-ND1 3.87Å; F7-H11 AromaticContact CD2-CE1 3.65Å; F7-H11 AromaticContact CD2-ND1 3.86Å; F7-H11 AromaticContact CE1-CE1 3.96Å; F7-H11 AromaticContact CE1-ND1 3.75Å; F7-H11 AromaticContact CE2-CE1 3.23Å; F7-H11 WeakPolarHBondContact CE2-CE1 3.44Å; F7-H11 AromaticContact CE2-ND1 3.75Å; F7-H11 AromaticContact CE2-NE2 3.96Å; F7-H11 AromaticContact CG-ND1 3.92Å; F7-H11 AromaticContact CZ-CE1 3.4Å; F7-H11 WeakPolarHBondContact CZ-CE1 3.36Å; F7-H11 AromaticContact CZ-ND1 3.68Å; F7-H11 AromaticContact CZ-NE2 3.83Å; F7-H11 PolarHBondContact O-N 3.09Å; F7-H11 VanDerWaalsContact O-N 3.09Å; F7-H11 PolarHBondContact O-ND1 2.75Å; F7-H103 AromaticContact CD1-CE1 3.78Å; F7-H103 AromaticContact CD1-ND1 3.42Å; F7-H103 WeakPolarHBondContact CD1-ND1 3.37Å; F7-H103 AromaticContact CG-CE1 3.98Å; F7-H103 AromaticContact CG-ND1 3.94Å; F7-L106 HydrophobicContact CE1-CB 4.31Å; F7-Q107 HydrophobicContact CE1-CB 4.24Å; F7-Q107 HydrophobicContact CZ-CB 4.23Å; F7-Q107 HydrophobicContact CZ-CG 4.43Å
8I83.3Confident77Confident0 Ų073.2 Ų73.20%036%0.361CS..Hα-helixtrans-61.4-50.8177.5-68.7161000110.4Q4 L5 K6 E10 H11 L12 F26 H99 L102 H103 L106Q4-I8 WeakPolarHBondContact O-CD1 3.24Å; Q4-I8 WeakPolarHBondContact O-CG1 3.42Å; Q4-I8 PolarHBondContact O-N 3.29Å; L5-I8 PolarHBondContact O-N 3.09Å; K6-I8 PolarHBondContact O-N 3.39Å; I8-E10 VanDerWaalsContact C-N 3.34Å; I8-E10 PolarHBondContact O-N 3.33Å; I8-H11 PolarHBondContact O-N 2.98Å; I8-L12 HydrophobicContact CG2-CD1 3.61Å; I8-L12 HydrophobicContact CG2-CG 4.21Å; I8-L12 WeakPolarHBondContact O-CB 3.38Å; I8-L12 VanDerWaalsContact O-CG 3.32Å; I8-L12 WeakPolarHBondContact O-CG 3.45Å; I8-L12 PolarHBondContact O-N 2.86Å; I8-F26 HydrophobicContact CG2-CE1 3.87Å; I8-F26 HydrophobicContact CG2-CE2 4.09Å; I8-F26 HydrophobicContact CG2-CZ 3.51Å; I8-H99 HydrophobicContact CD1-CB 4.28Å; I8-H99 WeakPolarHBondContact CD1-O 3.41Å; I8-L102 HydrophobicContact CD1-CB 4.17Å; I8-L102 HydrophobicContact CG1-CB 4.28Å; I8-L102 HydrophobicContact CG2-CB 4.37Å; I8-L102 HydrophobicContact CG2-CD1 4.36Å; I8-H103 HydrophobicContact CD1-CB 4.16Å; I8-H103 HydrophobicContact CG1-CB 4.2Å; I8-L106 HydrophobicContact CB-CD1 4.27Å; I8-L106 HydrophobicContact CG1-CD1 4.32Å; I8-L106 HydrophobicContact CG2-CD1 3.94Å
9V82.8Confident76.9Confident11 Ų1173.9 Ų73.97%0.06736%0.362CS..Hα-helixtrans-61-43.1-179.8171.60000111.4L5 K6 H11 L12 N13 F21 L23 F26L5-V9 WeakPolarHBondContact O-CB 3.33Å; L5-V9 WeakPolarHBondContact O-CG2 3.3Å; L5-V9 PolarHBondContact O-N 2.98Å; K6-V9 PolarHBondContact O-N 3.48Å; V9-H11 VanDerWaalsContact C-N 3.33Å; V9-H11 PolarHBondContact O-N 3.28Å; V9-L12 PolarHBondContact O-N 2.79Å; V9-N13 WeakPolarHBondContact O-CB 3.4Å; V9-N13 PolarHBondContact O-N 2.73Å; V9-N13 VanDerWaalsContact O-N 3.16Å; V9-N13 PolarHBondContact O-ND2 2.89Å; V9-N13 PolarHBondContact O-OD1 2.87Å; V9-F21 HydrophobicContact CG1-CB 4.32Å; V9-F21 WeakPolarHBondContact CG1-O 3.32Å; V9-L23 HydrophobicContact CG2-CD2 4.44Å; V9-F26 HydrophobicContact CG2-CB 3.63Å; V9-F26 HydrophobicContact CG2-CD1 3.93Å; V9-F26 HydrophobicContact CG2-CD2 4.34Å; V9-F26 HydrophobicContact CG2-CG 3.69Å
10E84.2Confident77Confident101 Ų10176.8 Ų76.847%0.47238%0.379SS..Hα-helixtrans-62-38.6177.7-164-165.7145.500112.5K6 F7 I8 K14K6-E10 WeakPolarHBondContact O-CB 3.39Å; K6-E10 PolarHBondContact O-N 2.95Å; F7-E10 PolarHBondContact O-N 2.88Å; I8-E10 VanDerWaalsContact C-N 3.34Å; I8-E10 PolarHBondContact O-N 3.33Å; E10-K14 WeakPolarHBondContact O-CG 3.38Å; E10-K14 PolarHBondContact O-N 3.32Å; E10-K14 WeakPolarHBondContact OE1-CE 3.06Å; E10-K14 IonicContact OE1-NZ 3.84Å; E10-K14 PolarHBondContact OE1-NZ 3.17Å
11H81.8Confident77.2Confident46 Ų4674.8 Ų74.821%0.21337%0.368CS..Hα-helixtrans-81.5-29.6-179.7-72.676.2000113.6F7 I8 V9 N13 K14 L106F7-H11 AromaticContact CD1-ND1 3.87Å; F7-H11 AromaticContact CD2-CE1 3.65Å; F7-H11 AromaticContact CD2-ND1 3.86Å; F7-H11 AromaticContact CE1-CE1 3.96Å; F7-H11 AromaticContact CE1-ND1 3.75Å; F7-H11 AromaticContact CE2-CE1 3.23Å; F7-H11 WeakPolarHBondContact CE2-CE1 3.44Å; F7-H11 AromaticContact CE2-ND1 3.75Å; F7-H11 AromaticContact CE2-NE2 3.96Å; F7-H11 AromaticContact CG-ND1 3.92Å; F7-H11 AromaticContact CZ-CE1 3.4Å; F7-H11 WeakPolarHBondContact CZ-CE1 3.36Å; F7-H11 AromaticContact CZ-ND1 3.68Å; F7-H11 AromaticContact CZ-NE2 3.83Å; F7-H11 PolarHBondContact O-N 3.09Å; F7-H11 VanDerWaalsContact O-N 3.09Å; F7-H11 PolarHBondContact O-ND1 2.75Å; I8-H11 PolarHBondContact O-N 2.98Å; V9-H11 VanDerWaalsContact C-N 3.33Å; V9-H11 PolarHBondContact O-N 3.28Å; H11-N13 VanDerWaalsContact C-N 3.25Å; H11-N13 PolarHBondContact O-N 3.27Å; H11-K14 PolarHBondContact O-N 3.28Å; H11-L106 HydrophobicContact CB-CB 4.14Å; H11-L106 HydrophobicContact CB-CD1 4.23Å; H11-L106 HydrophobicContact CB-CD2 4.34Å; H11-L106 HydrophobicContact CB-CG 4.47Å
12L82.1Confident78.7Confident1 Ų171.8 Ų71.81%0.00536%0.356CS..Hα-helixtrans-71.7-19.1171.7-69.4175.2000113.2I8 V9 F17 K18 K19 F21 F26 I37 V41 L106I8-L12 HydrophobicContact CG2-CD1 3.61Å; I8-L12 HydrophobicContact CG2-CG 4.21Å; I8-L12 WeakPolarHBondContact O-CB 3.38Å; I8-L12 VanDerWaalsContact O-CG 3.32Å; I8-L12 WeakPolarHBondContact O-CG 3.45Å; I8-L12 PolarHBondContact O-N 2.86Å; V9-L12 PolarHBondContact O-N 2.79Å; L12-F17 HydrophobicContact CD2-CD2 4.3Å; L12-F17 HydrophobicContact CD2-CG 4.37Å; L12-F17 WeakPolarHBondContact O-CB 3.32Å; L12-K18 PolarHBondContact O-N 3.44Å; L12-K19 PolarHBondContact O-N 3.38Å; L12-F21 HydrophobicContact CB-CD2 4.35Å; L12-F21 HydrophobicContact CD1-CD2 4.29Å; L12-F21 HydrophobicContact CD1-CE2 4.4Å; L12-F26 HydrophobicContact CD1-CD2 4.08Å; L12-F26 HydrophobicContact CD1-CE2 3.44Å; L12-F26 VanDerWaalsContact CD1-CE2 3.44Å; L12-F26 HydrophobicContact CD1-CZ 4.13Å; L12-I37 HydrophobicContact CD1-CG2 3.86Å; L12-I37 HydrophobicContact CD2-CG2 4.02Å; L12-V41 HydrophobicContact CD2-CG2 3.78Å; L12-L106 HydrophobicContact CD2-CD1 4.13Å; L12-L106 HydrophobicContact CD2-CD2 4.22Å; L12-L106 HydrophobicContact CG-CD1 4Å
13N83.6Confident79.3Confident52 Ų5272 Ų7228%0.27835%0.351SS..Hα-helixtrans-88.6-18.6175.7-68.8-7.1000113.4V9 H11 N20 F21V9-N13 WeakPolarHBondContact O-CB 3.4Å; V9-N13 PolarHBondContact O-N 2.73Å; V9-N13 VanDerWaalsContact O-N 3.16Å; V9-N13 PolarHBondContact O-ND2 2.89Å; V9-N13 PolarHBondContact O-OD1 2.87Å; H11-N13 VanDerWaalsContact C-N 3.25Å; H11-N13 PolarHBondContact O-N 3.27Å; N13-N20 VanDerWaalsContact OD1-CA 3.29Å; N13-N20 WeakPolarHBondContact OD1-CA 3.31Å; N13-N20 PolarHBondContact OD1-N 3.36Å; N13-N20 VanDerWaalsContact OD1-N 3.08Å; N13-F21 PolarHBondContact ND2-O 3.4Å; N13-F21 PolarHBondContact OD1-N 3.1Å
14K81.3Confident79.5Confident92 Ų9271.2 Ų71.240%0.435%0.35SS..SBendtrans-78.9167174.8-72.5168.9-173.2171.80111.4E10 H11 F17 K18E10-K14 WeakPolarHBondContact O-CG 3.38Å; E10-K14 PolarHBondContact O-N 3.32Å; E10-K14 WeakPolarHBondContact OE1-CE 3.06Å; E10-K14 IonicContact OE1-NZ 3.84Å; E10-K14 PolarHBondContact OE1-NZ 3.17Å; H11-K14 PolarHBondContact O-N 3.28Å; K14-F17 PolarHBondContact O-N 3.14Å; K14-K18 PolarHBondContact O-N 3.49Å
15D65.3Low79.6Confident120 Ų12070.4 Ų70.464%0.64235%0.351SS*.THydrogen-bonded Turntrans-56134.7162.6-79.1-80.3000109.6K18D15-K18 WeakPolarHBondContact OD1-CE 3.46Å; D15-K18 IonicContact OD1-NZ 2.68Å; D15-K18 PolarHBondContact OD1-NZ 3.42Å; D15-K18 WeakPolarHBondContact OD2-CE 3.45Å; D15-K18 IonicContact OD2-NZ 2.77Å
16P71.8Confident79.7Confident58 Ų5869 Ų6938%0.37734%0.343SS..THydrogen-bonded Turncis-94.5-5.511.835.7-34.9000115.7E44P16-E44 HydrophobicContact CG-CG 3.62Å; P16-E44 WeakPolarHBondContact CG-OE1 3.39Å
17F77.8Confident79.8Confident25 Ų2567.3 Ų67.311%0.1134%0.339CS..THydrogen-bonded Turntrans-87.5-35.1-163.4-59.3-68.4000115.6L12 K14 K19 V41 E44 L106 I109L12-F17 HydrophobicContact CD2-CD2 4.3Å; L12-F17 HydrophobicContact CD2-CG 4.37Å; L12-F17 WeakPolarHBondContact O-CB 3.32Å; K14-F17 PolarHBondContact O-N 3.14Å; F17-K19 VanDerWaalsContact C-N 3.27Å; F17-K19 HydrophobicContact CB-CG 4.32Å; F17-K19 WeakPolarHBondContact O-CG 3.34Å; F17-K19 PolarHBondContact O-N 3.16Å; F17-K19 VanDerWaalsContact O-N 3.09Å; F17-V41 HydrophobicContact CD1-CG2 4.45Å; F17-V41 HydrophobicContact CE1-CB 4.36Å; F17-V41 HydrophobicContact CE1-CG2 3.92Å; F17-V41 HydrophobicContact CE2-CG2 4.23Å; F17-V41 HydrophobicContact CZ-CB 4.16Å; F17-V41 HydrophobicContact CZ-CG1 4.25Å; F17-V41 HydrophobicContact CZ-CG2 3.79Å; F17-E44 HydrophobicContact CE1-CB 3.61Å; F17-E44 HydrophobicContact CE1-CG 3.87Å; F17-E44 HydrophobicContact CZ-CB 3.77Å; F17-E44 HydrophobicContact CZ-CG 3.73Å; F17-L106 HydrophobicContact CD2-CD2 4.33Å; F17-L106 HydrophobicContact CE2-CD2 3.78Å; F17-I109 HydrophobicContact CE2-CD1 4.08Å
18K79.1Confident79.8Confident126 Ų12668.8 Ų68.855%0.54836%0.356SS..  trans47.136.1175.2-58.6-172.4-177.6171.30116.4L12 K14 D15 N20L12-K18 PolarHBondContact O-N 3.44Å; K14-K18 PolarHBondContact O-N 3.49Å; D15-K18 WeakPolarHBondContact OD1-CE 3.46Å; D15-K18 IonicContact OD1-NZ 2.68Å; D15-K18 PolarHBondContact OD1-NZ 3.42Å; D15-K18 WeakPolarHBondContact OD2-CE 3.45Å; D15-K18 IonicContact OD2-NZ 2.77Å; K18-N20 VanDerWaalsContact C-N 3.33Å; K18-N20 PolarHBondContact O-N 2.93Å
19K75.3Confident79.7Confident87 Ų8769.9 Ų69.938%0.37836%0.362SS..  trans-80.4-5.7-173-60.6-71.8-175.3159.50115.1L12 F17 F21 D40L12-K19 PolarHBondContact O-N 3.38Å; F17-K19 VanDerWaalsContact C-N 3.27Å; F17-K19 HydrophobicContact CB-CG 4.32Å; F17-K19 WeakPolarHBondContact O-CG 3.34Å; F17-K19 PolarHBondContact O-N 3.16Å; F17-K19 VanDerWaalsContact O-N 3.09Å; K19-F21 VanDerWaalsContact C-N 3.3Å; K19-F21 HydrophobicContact CB-CD2 3.62Å; K19-F21 HydrophobicContact CB-CE2 3.28Å; K19-F21 HydrophobicContact CB-CG 4.38Å; K19-F21 HydrophobicContact CB-CZ 3.78Å; K19-F21 HydrophobicContact CG-CE2 3.9Å; K19-F21 HydrophobicContact CG-CZ 4.37Å; K19-F21 PolarHBondContact O-N 3.42Å; K19-D40 WeakPolarHBondContact CE-OD2 2.82Å; K19-D40 IonicContact NZ-OD2 2.7Å; K19-D40 PolarHBondContact NZ-OD2 2.9Å
20N79.3Confident79.7Confident131 Ų13175 Ų7570%0.70139%0.385SS*.  trans49.140.2174.6-67.5-17.5000115.5N13 K18N13-N20 VanDerWaalsContact OD1-CA 3.29Å; N13-N20 WeakPolarHBondContact OD1-CA 3.31Å; N13-N20 PolarHBondContact OD1-N 3.36Å; N13-N20 VanDerWaalsContact OD1-N 3.08Å; K18-N20 VanDerWaalsContact C-N 3.33Å; K18-N20 PolarHBondContact O-N 2.93Å
21F82.5Confident79.6Confident35 Ų3573.7 Ų73.715%0.15439%0.385CS..  trans-77.7145.3177.1-63.3-55.7000112.6V9 L12 N13 K19 F26 L29 I37V9-F21 HydrophobicContact CG1-CB 4.32Å; V9-F21 WeakPolarHBondContact CG1-O 3.32Å; L12-F21 HydrophobicContact CB-CD2 4.35Å; L12-F21 HydrophobicContact CD1-CD2 4.29Å; L12-F21 HydrophobicContact CD1-CE2 4.4Å; N13-F21 PolarHBondContact ND2-O 3.4Å; N13-F21 PolarHBondContact OD1-N 3.1Å; K19-F21 VanDerWaalsContact C-N 3.3Å; K19-F21 HydrophobicContact CB-CD2 3.62Å; K19-F21 HydrophobicContact CB-CE2 3.28Å; K19-F21 HydrophobicContact CB-CG 4.38Å; K19-F21 HydrophobicContact CB-CZ 3.78Å; K19-F21 HydrophobicContact CG-CE2 3.9Å; K19-F21 HydrophobicContact CG-CZ 4.37Å; K19-F21 PolarHBondContact O-N 3.42Å; F21-F26 HydrophobicContact CB-CB 4.23Å; F21-F26 AromaticContact CD2-CD2 3.94Å; F21-F26 HydrophobicContact CD2-CD2 3.94Å; F21-F26 HydrophobicContact CE2-CD2 4.32Å; F21-F26 HydrophobicContact CG-CD2 4.28Å; F21-L29 HydrophobicContact CE1-CD2 4.42Å; F21-L29 HydrophobicContact CZ-CD1 4.47Å; F21-I37 HydrophobicContact CE2-CD1 3.69Å; F21-I37 HydrophobicContact CE2-CG1 4.4Å; F21-I37 HydrophobicContact CZ-CD1 3.59Å; F21-I37 HydrophobicContact CZ-CG1 4.37Å
22N81.3Confident79.4Confident114 Ų11476.1 Ų76.161%0.6140%0.398SS*.  trans-95.3161.8159.8-71.4-43.3000110.4I24 T25 F26N22-I24 VanDerWaalsContact C-N 3.26Å; N22-I24 PolarHBondContact O-N 2.79Å; N22-T25 HydrophobicContact CB-CG2 4.38Å; N22-T25 PolarHBondContact N-OG1 3.43Å; N22-T25 PolarHBondContact O-N 2.89Å; N22-T25 VanDerWaalsContact O-N 3.17Å; N22-T25 PolarHBondContact O-OG1 2.99Å; N22-F26 WeakPolarHBondContact O-CB 3.46Å; N22-F26 PolarHBondContact O-N 3.18Å
23L78.2Confident79.3Confident81 Ų8180.2 Ų80.242%0.42442%0.417SS..Hα-helixtrans-52.9-42177.1-78.8160.1000113.2L5 K6 V9 D27L5-L23 HydrophobicContact CB-CD2 4.19Å; K6-L23 HydrophobicContact CG-CD1 4.07Å; K6-L23 HydrophobicContact CG-CD2 3.88Å; V9-L23 HydrophobicContact CG2-CD2 4.44Å; L23-D27 PolarHBondContact O-N 3.01Å; L23-D27 VanDerWaalsContact O-N 3.16Å
24I78.8Confident79.3Confident144 Ų14477.8 Ų77.874%0.73840%0.404SS*.Hα-helixtrans-70.3-45.6179.8-58.7171.2000110.5N22 F26 D27 S28N22-I24 VanDerWaalsContact C-N 3.26Å; N22-I24 PolarHBondContact O-N 2.79Å; I24-F26 VanDerWaalsContact C-N 3.29Å; I24-F26 PolarHBondContact O-N 3.1Å; I24-D27 PolarHBondContact O-N 2.79Å; I24-S28 WeakPolarHBondContact O-CB 3.46Å; I24-S28 PolarHBondContact O-N 3.41Å; I24-S28 PolarHBondContact O-OG 3Å
25T79.7Confident79.3Confident61 Ų6174.3 Ų74.337%0.37439%0.39SS..Hα-helixtrans-70.2-25.7-178.158.50000112.9N22 S28 L29N22-T25 HydrophobicContact CB-CG2 4.38Å; N22-T25 PolarHBondContact N-OG1 3.43Å; N22-T25 PolarHBondContact O-N 2.89Å; N22-T25 VanDerWaalsContact O-N 3.17Å; N22-T25 PolarHBondContact O-OG1 2.99Å; T25-S28 WeakPolarHBondContact CA-OG 3.32Å; T25-S28 PolarHBondContact O-OG 3.34Å; T25-S28 VanDerWaalsContact O-OG 3.11Å; T25-L29 WeakPolarHBondContact O-CG 3.44Å
26F82Confident80.1Confident1 Ų170.9 Ų70.90%0.00437%0.37CS..Hα-helixtrans-78.2-40.7174.6-174.5-97.1000111.9L5 I8 V9 L12 F21 N22 I24 S28 L29 L34 I37 H99 L102L5-F26 HydrophobicContact CD2-CD1 3.75Å; L5-F26 HydrophobicContact CD2-CE1 3.82Å; I8-F26 HydrophobicContact CG2-CE1 3.87Å; I8-F26 HydrophobicContact CG2-CE2 4.09Å; I8-F26 HydrophobicContact CG2-CZ 3.51Å; V9-F26 HydrophobicContact CG2-CB 3.63Å; V9-F26 HydrophobicContact CG2-CD1 3.93Å; V9-F26 HydrophobicContact CG2-CD2 4.34Å; V9-F26 HydrophobicContact CG2-CG 3.69Å; L12-F26 HydrophobicContact CD1-CD2 4.08Å; L12-F26 HydrophobicContact CD1-CE2 3.44Å; L12-F26 VanDerWaalsContact CD1-CE2 3.44Å; L12-F26 HydrophobicContact CD1-CZ 4.13Å; F21-F26 HydrophobicContact CB-CB 4.23Å; F21-F26 AromaticContact CD2-CD2 3.94Å; F21-F26 HydrophobicContact CD2-CD2 3.94Å; F21-F26 HydrophobicContact CE2-CD2 4.32Å; F21-F26 HydrophobicContact CG-CD2 4.28Å; N22-F26 WeakPolarHBondContact O-CB 3.46Å; N22-F26 PolarHBondContact O-N 3.18Å; I24-F26 VanDerWaalsContact C-N 3.29Å; I24-F26 PolarHBondContact O-N 3.1Å; F26-S28 VanDerWaalsContact C-N 3.31Å; F26-L29 HydrophobicContact CD2-CD1 3.62Å; F26-L29 HydrophobicContact CE2-CD1 3.93Å; F26-L29 HydrophobicContact CG-CD1 4.23Å; F26-L29 WeakPolarHBondContact O-CB 3.47Å; F26-L29 WeakPolarHBondContact O-CD1 3.34Å; F26-L29 VanDerWaalsContact O-CG 3.25Å; F26-L29 WeakPolarHBondContact O-CG 3.31Å; F26-L29 PolarHBondContact O-N 3.38Å; F26-L34 HydrophobicContact CE2-CD1 4.4Å; F26-L34 HydrophobicContact CZ-CD1 3.94Å; F26-I37 HydrophobicContact CE2-CD1 4.29Å; F26-H99 AromaticContact CE1-NE2 3.98Å; F26-L102 HydrophobicContact CZ-CD1 3.96Å
27D82.4Confident80.6Confident73 Ų7368.7 Ų68.739%0.3936%0.355SS..Hα-helixtrans-74.8-20174.9-166.240.6000112.6L23 I24 L29 K95L23-D27 PolarHBondContact O-N 3.01Å; L23-D27 VanDerWaalsContact O-N 3.16Å; I24-D27 PolarHBondContact O-N 2.79Å; D27-L29 VanDerWaalsContact C-N 3.26Å; D27-L29 PolarHBondContact O-N 2.95Å; D27-K95 WeakPolarHBondContact O-CE 3.46Å; D27-K95 PolarHBondContact O-NZ 2.95Å; D27-K95 IonicContact OD1-NZ 3.94Å; D27-K95 PolarHBondContact OD1-NZ 3.16Å; D27-K95 IonicContact OD2-NZ 2.62Å
28S83.5Confident80.8Confident85 Ų8567.5 Ų67.559%0.59435%0.35SS*.THydrogen-bonded Turntrans-79.71.7172.267.20000114.8I24 T25 F26I24-S28 WeakPolarHBondContact O-CB 3.46Å; I24-S28 PolarHBondContact O-N 3.41Å; I24-S28 PolarHBondContact O-OG 3Å; T25-S28 WeakPolarHBondContact CA-OG 3.32Å; T25-S28 PolarHBondContact O-OG 3.34Å; T25-S28 VanDerWaalsContact O-OG 3.11Å; F26-S28 VanDerWaalsContact C-N 3.31Å
29L82.1Confident81Confident23 Ų2361.7 Ų61.712%0.1232%0.324CS..  trans-69.3139.3-177.3-66.5172.9000112.6F21 T25 F26 D27 Q33 I37F21-L29 HydrophobicContact CE1-CD2 4.42Å; F21-L29 HydrophobicContact CZ-CD1 4.47Å; T25-L29 WeakPolarHBondContact O-CG 3.44Å; F26-L29 HydrophobicContact CD2-CD1 3.62Å; F26-L29 HydrophobicContact CE2-CD1 3.93Å; F26-L29 HydrophobicContact CG-CD1 4.23Å; F26-L29 WeakPolarHBondContact O-CB 3.47Å; F26-L29 WeakPolarHBondContact O-CD1 3.34Å; F26-L29 VanDerWaalsContact O-CG 3.25Å; F26-L29 WeakPolarHBondContact O-CG 3.31Å; F26-L29 PolarHBondContact O-N 3.38Å; D27-L29 VanDerWaalsContact C-N 3.26Å; D27-L29 PolarHBondContact O-N 2.95Å; L29-Q33 HydrophobicContact CD2-CB 4.42Å; L29-I37 HydrophobicContact CD1-CD1 3.36Å
30E82.4Confident81.3Confident119 Ų11959.5 Ų59.556%0.55632%0.317SS*.  trans-71152.7174.1-64.5178.9153.400111.5M32 Q33 L34E30-M32 VanDerWaalsContact C-N 3.25Å; E30-M32 PolarHBondContact O-N 3.43Å; E30-M32 VanDerWaalsContact O-N 3.14Å; E30-Q33 HydrophobicContact CB-CG 4.1Å; E30-Q33 WeakPolarHBondContact O-CB 3.3Å; E30-Q33 PolarHBondContact O-N 2.91Å; E30-Q33 PolarHBondContact OE2-NE2 2.74Å; E30-L34 PolarHBondContact O-N 3.5Å
31P81.2Confident81.5Confident73 Ų7353.3 Ų53.347%0.47428%0.284SS..Hα-helixtrans-53.7-37.3-178.1-28.335.8000114.6L35 T92P31-L35 WeakPolarHBondContact O-CB 3.29Å; P31-L35 WeakPolarHBondContact O-CG 3.47Å; P31-L35 PolarHBondContact O-N 3.42Å; P31-T92 WeakPolarHBondContact CB-O 3.37Å
32M78.4Confident81.4Confident97 Ų9751.6 Ų51.648%0.47828%0.276SS..Hα-helixtrans-69.7-37.1177.4-164.6-178.9-162.900112.4E30 L35 Q36 R54E30-M32 VanDerWaalsContact C-N 3.25Å; E30-M32 PolarHBondContact O-N 3.43Å; E30-M32 VanDerWaalsContact O-N 3.14Å; M32-L35 PolarHBondContact O-N 3.14Å; M32-Q36 PolarHBondContact O-N 2.87Å; M32-R54 HydrophobicContact CE-CG 3.69Å
33Q80.4Confident81.5Confident87 Ų8747 Ų4741%0.40725%0.254SS..Hα-helixtrans-70.6-38.9176.7-58.2174.112.400110.8L29 E30 Q36 I37L29-Q33 HydrophobicContact CD2-CB 4.42Å; E30-Q33 HydrophobicContact CB-CG 4.1Å; E30-Q33 WeakPolarHBondContact O-CB 3.3Å; E30-Q33 PolarHBondContact O-N 2.91Å; E30-Q33 PolarHBondContact OE2-NE2 2.74Å; Q33-Q36 PolarHBondContact O-N 3.27Å; Q33-I37 WeakPolarHBondContact O-CG1 3.49Å; Q33-I37 PolarHBondContact O-N 2.9Å
34L82.1Confident81.6Confident1 Ų146.3 Ų46.31%0.00525%0.249CC..Hα-helixtrans-66.7-37.4175.7-175.161000112F26 E30 I37 L38 K95 I98 L102F26-L34 HydrophobicContact CE2-CD1 4.4Å; F26-L34 HydrophobicContact CZ-CD1 3.94Å; E30-L34 PolarHBondContact O-N 3.5Å; L34-I37 PolarHBondContact O-N 3.41Å; L34-L38 PolarHBondContact O-N 2.84Å; L34-K95 HydrophobicContact CD2-CG 3.92Å; L34-I98 HydrophobicContact CD1-CG2 4.07Å; L34-I98 HydrophobicContact CD2-CB 4.11Å; L34-I98 HydrophobicContact CD2-CD1 4.1Å; L34-I98 HydrophobicContact CD2-CG2 4.25Å; L34-I98 HydrophobicContact CG-CB 4.2Å; L34-I98 HydrophobicContact CG-CD1 3.96Å; L34-I98 HydrophobicContact CG-CG2 3.83Å; L34-L102 HydrophobicContact CD1-CD1 4Å
35L81.4Confident81.7Confident19 Ų1939.8 Ų39.810%0.09922%0.215CC..Hα-helixtrans-64.4-41.4169.4-79.5170.6000112.1P31 M32 I37 L38 N39 I53 L90 I98P31-L35 WeakPolarHBondContact O-CB 3.29Å; P31-L35 WeakPolarHBondContact O-CG 3.47Å; P31-L35 PolarHBondContact O-N 3.42Å; M32-L35 PolarHBondContact O-N 3.14Å; L35-I37 VanDerWaalsContact C-N 3.33Å; L35-I37 PolarHBondContact O-N 2.9Å; L35-L38 WeakPolarHBondContact O-CB 3.4Å; L35-L38 PolarHBondContact O-N 3.26Å; L35-L38 VanDerWaalsContact O-N 3.16Å; L35-N39 PolarHBondContact O-N 2.97Å; L35-I53 HydrophobicContact CB-CD1 3.79Å; L35-I53 VanDerWaalsContact O-CD1 3.31Å; L35-I53 WeakPolarHBondContact O-CD1 3.48Å; L35-L90 HydrophobicContact CD2-CD1 4.23Å; L35-L90 WeakPolarHBondContact CD2-O 3.24Å; L35-I98 HydrophobicContact CD2-CD1 3.61Å; L35-I98 HydrophobicContact CG-CD1 3.84Å
36Q82.6Confident81.7Confident49 Ų4938.3 Ų38.323%0.22921%0.205CC..Hα-helixtrans-61.8-41.6176.1-173.261.242.500111.4M32 Q33 L38 N39 D40 I53M32-Q36 PolarHBondContact O-N 2.87Å; Q33-Q36 PolarHBondContact O-N 3.27Å; Q36-L38 VanDerWaalsContact C-N 3.32Å; Q36-L38 PolarHBondContact O-N 3.44Å; Q36-N39 CarbonylContact O-C 3.54Å; Q36-N39 WeakPolarHBondContact O-CB 3.43Å; Q36-N39 PolarHBondContact O-N 3.4Å; Q36-N39 VanDerWaalsContact O-N 3.16Å; Q36-D40 PolarHBondContact NE2-OD1 2.84Å; Q36-D40 VanDerWaalsContact O-CG 3.3Å; Q36-D40 PolarHBondContact O-N 3.29Å; Q36-I53 HydrophobicContact CB-CD1 4.36Å
37I82.2Confident81.5Confident12 Ų1242.9 Ų42.96%0.06224%0.235CC..Hα-helixtrans-63-39.1174.4-67.7164.7000111.4L12 F21 F26 L29 Q33 L34 L35 N39 D40 V41 L102L12-I37 HydrophobicContact CD1-CG2 3.86Å; L12-I37 HydrophobicContact CD2-CG2 4.02Å; F21-I37 HydrophobicContact CE2-CD1 3.69Å; F21-I37 HydrophobicContact CE2-CG1 4.4Å; F21-I37 HydrophobicContact CZ-CD1 3.59Å; F21-I37 HydrophobicContact CZ-CG1 4.37Å; F26-I37 HydrophobicContact CE2-CD1 4.29Å; L29-I37 HydrophobicContact CD1-CD1 3.36Å; Q33-I37 WeakPolarHBondContact O-CG1 3.49Å; Q33-I37 PolarHBondContact O-N 2.9Å; L34-I37 PolarHBondContact O-N 3.41Å; L35-I37 VanDerWaalsContact C-N 3.33Å; L35-I37 PolarHBondContact O-N 2.9Å; I37-N39 VanDerWaalsContact C-N 3.33Å; I37-D40 PolarHBondContact O-N 2.97Å; I37-V41 VanDerWaalsContact O-CG2 3.29Å; I37-V41 WeakPolarHBondContact O-CG2 3.42Å; I37-V41 PolarHBondContact O-N 3.08Å; I37-L102 HydrophobicContact CG2-CD1 4.45Å; I37-L102 HydrophobicContact CG2-CD2 4.43Å
38L82.9Confident81Confident0 Ų046 Ų460%025%0.245CC..Hα-helixtrans-62.4-40.8173.4176.561.6000111.8L34 L35 Q36 V41 L42 M65 L90 I98 I101 L102 L105L34-L38 PolarHBondContact O-N 2.84Å; L35-L38 WeakPolarHBondContact O-CB 3.4Å; L35-L38 PolarHBondContact O-N 3.26Å; L35-L38 VanDerWaalsContact O-N 3.16Å; Q36-L38 VanDerWaalsContact C-N 3.32Å; Q36-L38 PolarHBondContact O-N 3.44Å; L38-V41 PolarHBondContact O-N 3.04Å; L38-L42 HydrophobicContact CD1-CD1 4.23Å; L38-L42 HydrophobicContact CD1-CG 4.35Å; L38-L42 HydrophobicContact CG-CD1 4.11Å; L38-L42 WeakPolarHBondContact O-CB 3.45Å; L38-L42 VanDerWaalsContact O-CG 3.28Å; L38-L42 WeakPolarHBondContact O-CG 3.42Å; L38-L42 PolarHBondContact O-N 3.43Å; L38-M65 HydrophobicContact CD2-SD 4.27Å; L38-L90 HydrophobicContact CD2-CD1 3.99Å; L38-I98 HydrophobicContact CB-CG2 4.18Å; L38-I98 HydrophobicContact CD2-CG1 4.27Å; L38-I98 HydrophobicContact CD2-CG2 4.19Å; L38-I101 HydrophobicContact CD1-CB 4.41Å; L38-I101 HydrophobicContact CD1-CG2 3.56Å; L38-I101 HydrophobicContact CD2-CG2 4.47Å; L38-L102 HydrophobicContact CB-CD2 4.3Å; L38-L102 HydrophobicContact CD1-CD2 3.94Å; L38-L102 HydrophobicContact CD1-CG 4.36Å; L38-L105 HydrophobicContact CD1-CD1 3.6Å
39N82.6Confident80.2Confident3 Ų342.6 Ų42.62%0.01622%0.22CC..Hα-helixtrans-68.8-41.1176.6-169.367.5000112.4L35 Q36 I37 V41 L42 A43 I51 I53 R64 M65L35-N39 PolarHBondContact O-N 2.97Å; Q36-N39 CarbonylContact O-C 3.54Å; Q36-N39 WeakPolarHBondContact O-CB 3.43Å; Q36-N39 PolarHBondContact O-N 3.4Å; Q36-N39 VanDerWaalsContact O-N 3.16Å; I37-N39 VanDerWaalsContact C-N 3.33Å; N39-V41 VanDerWaalsContact C-N 3.29Å; N39-V41 PolarHBondContact O-N 2.94Å; N39-L42 CarbonylContact O-C 3.59Å; N39-L42 PolarHBondContact O-N 3.29Å; N39-L42 VanDerWaalsContact O-N 3.16Å; N39-A43 VanDerWaalsContact O-CB 3.24Å; N39-A43 WeakPolarHBondContact O-CB 3.49Å; N39-A43 PolarHBondContact O-N 2.99Å; N39-I51 PolarHBondContact ND2-O 3.03Å; N39-I53 HydrophobicContact CB-CD1 3.79Å; N39-I53 HydrophobicContact CB-CG1 4.12Å; N39-R64 PolarHBondContact OD1-NH1 3.41Å; N39-R64 PolarHBondContact OD1-NH2 3.46Å; N39-M65 HydrophobicContact CB-CE 3.52Å
40D81.3Confident79.6Confident42 Ų4246.5 Ų46.523%0.22525%0.245CC..Hα-helixtrans-57.4-43.1172.5-70.75.5000110.7K19 Q36 I37 A43 E44K19-D40 WeakPolarHBondContact CE-OD2 2.82Å; K19-D40 IonicContact NZ-OD2 2.7Å; K19-D40 PolarHBondContact NZ-OD2 2.9Å; Q36-D40 PolarHBondContact NE2-OD1 2.84Å; Q36-D40 VanDerWaalsContact O-CG 3.3Å; Q36-D40 PolarHBondContact O-N 3.29Å; I37-D40 PolarHBondContact O-N 2.97Å; D40-A43 PolarHBondContact O-N 3.22Å; D40-E44 PolarHBondContact O-N 2.96Å; D40-E44 VanDerWaalsContact O-N 3.11Å
41V82.9Confident79Confident0 Ų043.4 Ų43.40%023%0.231CC..Hα-helixtrans-68-36.2176.2173.30000112.3L12 F17 I37 L38 N39 I45 L102 L105 L106L12-V41 HydrophobicContact CD2-CG2 3.78Å; F17-V41 HydrophobicContact CD1-CG2 4.45Å; F17-V41 HydrophobicContact CE1-CB 4.36Å; F17-V41 HydrophobicContact CE1-CG2 3.92Å; F17-V41 HydrophobicContact CE2-CG2 4.23Å; F17-V41 HydrophobicContact CZ-CB 4.16Å; F17-V41 HydrophobicContact CZ-CG1 4.25Å; F17-V41 HydrophobicContact CZ-CG2 3.79Å; I37-V41 VanDerWaalsContact O-CG2 3.29Å; I37-V41 WeakPolarHBondContact O-CG2 3.42Å; I37-V41 PolarHBondContact O-N 3.08Å; L38-V41 PolarHBondContact O-N 3.04Å; N39-V41 VanDerWaalsContact C-N 3.29Å; N39-V41 PolarHBondContact O-N 2.94Å; V41-I45 HydrophobicContact CG1-CD1 4.47Å; V41-I45 WeakPolarHBondContact O-CG1 3.5Å; V41-I45 PolarHBondContact O-N 2.96Å; V41-L102 HydrophobicContact CB-CD2 4.29Å; V41-L102 HydrophobicContact CG2-CD2 4.03Å; V41-L105 HydrophobicContact CG1-CB 3.9Å; V41-L105 HydrophobicContact CG1-CD1 3.99Å; V41-L106 HydrophobicContact CG1-CD2 4.14Å; V41-L106 HydrophobicContact CG2-CD2 4.16Å
42L81.3Confident78.5Confident0 Ų043.1 Ų43.10%023%0.226CC..Hα-helixtrans-74.2-34.2175.7-71.3170.8000112.6L38 N39 I45 D46 M65 L68 L69 L72 L105L38-L42 HydrophobicContact CD1-CD1 4.23Å; L38-L42 HydrophobicContact CD1-CG 4.35Å; L38-L42 HydrophobicContact CG-CD1 4.11Å; L38-L42 WeakPolarHBondContact O-CB 3.45Å; L38-L42 VanDerWaalsContact O-CG 3.28Å; L38-L42 WeakPolarHBondContact O-CG 3.42Å; L38-L42 PolarHBondContact O-N 3.43Å; N39-L42 CarbonylContact O-C 3.59Å; N39-L42 PolarHBondContact O-N 3.29Å; N39-L42 VanDerWaalsContact O-N 3.16Å; L42-I45 WeakPolarHBondContact O-CB 3.42Å; L42-I45 PolarHBondContact O-N 3.24Å; L42-I45 VanDerWaalsContact O-N 3.07Å; L42-D46 PolarHBondContact O-N 3.42Å; L42-M65 HydrophobicContact CD1-CB 4.41Å; L42-M65 HydrophobicContact CD1-CG 4Å; L42-M65 HydrophobicContact CD1-SD 4.5Å; L42-L68 HydrophobicContact CB-CD2 4.09Å; L42-L68 HydrophobicContact CD2-CD2 3.83Å; L42-L68 HydrophobicContact CG-CD2 4.36Å; L42-L69 HydrophobicContact CD2-CD2 4.35Å; L42-L72 HydrophobicContact CD2-CD1 4.35Å; L42-L105 HydrophobicContact CD2-CD1 3.68Å; L42-L105 HydrophobicContact CD2-CD2 4.03Å; L42-L105 HydrophobicContact CG-CD1 4.1Å
43A82.6Confident78Confident16 Ų1639.2 Ų39.213%0.13221%0.207CC..Hα-helixtrans-67.7-34.8176.100000112.3N39 D40 I45 D46 P47 Q49 T50N39-A43 VanDerWaalsContact O-CB 3.24Å; N39-A43 WeakPolarHBondContact O-CB 3.49Å; N39-A43 PolarHBondContact O-N 2.99Å; D40-A43 PolarHBondContact O-N 3.22Å; A43-I45 PolarHBondContact O-N 2.91Å; A43-D46 CarbonylContact O-C 3.54Å; A43-D46 VanDerWaalsContact O-C 3.23Å; A43-P47 WeakPolarHBondContact O-CA 3.33Å; A43-Q49 HydrophobicContact CB-CB 4.45Å; A43-T50 HydrophobicContact CB-CG2 3.86Å
44E81.6Confident77.5Confident68 Ų6844.5 Ų44.532%0.31822%0.223SC..Hα-helixtrans-67-24.4169.8-176.360.8-156.600112.3P16 F17 D40 K113P16-E44 HydrophobicContact CG-CG 3.62Å; P16-E44 WeakPolarHBondContact CG-OE1 3.39Å; F17-E44 HydrophobicContact CE1-CB 3.61Å; F17-E44 HydrophobicContact CE1-CG 3.87Å; F17-E44 HydrophobicContact CZ-CB 3.77Å; F17-E44 HydrophobicContact CZ-CG 3.73Å; D40-E44 PolarHBondContact O-N 2.96Å; D40-E44 VanDerWaalsContact O-N 3.11Å; E44-K113 WeakPolarHBondContact O-CE 3.48Å; E44-K113 WeakPolarHBondContact OE1-CE 3.33Å; E44-K113 IonicContact OE1-NZ 3.89Å; E44-K113 PolarHBondContact OE1-NZ 3.25Å
45I81.1Confident76.9Confident6 Ų652 Ų523%0.03126%0.258CS..Hα-helixtrans-87.2-41.9177.3-69.4167.8000111.9V41 L42 A43 L72 L105 I109 L112 A116V41-I45 HydrophobicContact CG1-CD1 4.47Å; V41-I45 WeakPolarHBondContact O-CG1 3.5Å; V41-I45 PolarHBondContact O-N 2.96Å; L42-I45 WeakPolarHBondContact O-CB 3.42Å; L42-I45 PolarHBondContact O-N 3.24Å; L42-I45 VanDerWaalsContact O-N 3.07Å; A43-I45 PolarHBondContact O-N 2.91Å; I45-L72 HydrophobicContact CG2-CD1 4.29Å; I45-L72 HydrophobicContact CG2-CD2 4.29Å; I45-L105 HydrophobicContact CD1-CB 4.28Å; I45-L105 HydrophobicContact CD1-CD2 3.87Å; I45-I109 HydrophobicContact CG1-CG2 4.5Å; I45-L112 HydrophobicContact CD1-CB 4.16Å; I45-L112 HydrophobicContact CD1-CD1 4.24Å; I45-L112 HydrophobicContact CG1-CB 4.48Å; I45-L112 HydrophobicContact CG2-CB 4.11Å; I45-A116 HydrophobicContact CG2-CB 3.98Å
46D79Confident76.4Confident31 Ų3153.2 Ų53.217%0.16626%0.263CS..  trans-132.8108172.4-179.26.4000110.2L42 A43 K48 Q49 A116L42-D46 PolarHBondContact O-N 3.42Å; A43-D46 CarbonylContact O-C 3.54Å; A43-D46 VanDerWaalsContact O-C 3.23Å; D46-K48 PolarHBondContact O-N 3.25Å; D46-K48 WeakPolarHBondContact OD1-CB 3.27Å; D46-K48 WeakPolarHBondContact OD1-CG 3.42Å; D46-K48 PolarHBondContact OD1-N 2.91Å; D46-K48 VanDerWaalsContact OD1-N 3.13Å; D46-Q49 HydrophobicContact CB-CG 4.22Å; D46-Q49 WeakPolarHBondContact O-CB 3.41Å; D46-Q49 PolarHBondContact O-N 3.48Å; D46-A116 HydrophobicContact CB-CB 4.26Å
47P77.5Confident76.1Confident96 Ų9657.1 Ų57.162%0.62328%0.283SS*.G310 helixtrans-56.7-16-179.7-27.835.7000115A43 Q49 T50A43-P47 WeakPolarHBondContact O-CA 3.33Å; P47-Q49 PolarHBondContact O-N 3.46Å; P47-T50 WeakPolarHBondContact O-CG2 3.38Å; P47-T50 PolarHBondContact O-OG1 3.11Å; P47-T50 VanDerWaalsContact O-OG1 3.06Å
48K72.4Confident75.6Confident138 Ų13860.2 Ų60.260%0.630%0.303SS*.G310 helixtrans-67.8-9.4173.8-65.4-179.7174.6-174.10114.2D46D46-K48 PolarHBondContact O-N 3.25Å; D46-K48 WeakPolarHBondContact OD1-CB 3.27Å; D46-K48 WeakPolarHBondContact OD1-CG 3.42Å; D46-K48 PolarHBondContact OD1-N 2.91Å; D46-K48 VanDerWaalsContact OD1-N 3.13Å
49Q67.3Low75.3Confident15 Ų1565.8 Ų65.87%0.0733%0.333CS..G310 helixtrans-99.47.7-176.6-56-94.1-35.800112.8A43 D46 P47 I51 L68A43-Q49 HydrophobicContact CB-CB 4.45Å; D46-Q49 HydrophobicContact CB-CG 4.22Å; D46-Q49 WeakPolarHBondContact O-CB 3.41Å; D46-Q49 PolarHBondContact O-N 3.48Å; P47-Q49 PolarHBondContact O-N 3.46Å; Q49-I51 VanDerWaalsContact C-N 3.25Å; Q49-I51 PolarHBondContact O-N 3.31Å; Q49-L68 VanDerWaalsContact CD-CD2 3.45Å; Q49-L68 HydrophobicContact CG-CD2 3.67Å
50T67.8Low75Confident105 Ų10571.4 Ų71.464%0.64436%0.359SS*.  trans-71.374.8176.754.70000111.7A43 P47A43-T50 HydrophobicContact CB-CG2 3.86Å; P47-T50 WeakPolarHBondContact O-CG2 3.38Å; P47-T50 PolarHBondContact O-OG1 3.11Å; P47-T50 VanDerWaalsContact O-OG1 3.06Å
51I71.4Confident74.9Confident54 Ų5469.7 Ų69.728%0.27735%0.351SS..  trans-130.9135178.4-52.8176.8000107.5N39 Q49 E56N39-I51 PolarHBondContact ND2-O 3.03Å; Q49-I51 VanDerWaalsContact C-N 3.25Å; Q49-I51 PolarHBondContact O-N 3.31Å; I51-E56 HydrophobicContact CG2-CG 3.97Å
52D69.3Low74.5Confident67 Ų6770.1 Ų70.136%0.35835%0.354SS..  trans-70.4129171.2-171.5-28.2000108.9R54 E55D52-R54 PolarHBondContact O-N 3.45Å; D52-R54 VanDerWaalsContact OD1-CB 3.3Å; D52-R54 WeakPolarHBondContact OD1-CB 3.39Å; D52-R54 VanDerWaalsContact OD1-CG 3.28Å; D52-R54 WeakPolarHBondContact OD1-CG 3.38Å; D52-R54 PolarHBondContact OD1-N 2.86Å; D52-E55 HydrophobicContact CB-CG 4.37Å; D52-E55 PolarHBondContact O-N 3.23Å
53I68Low74.4Confident15 Ų1577.6 Ų77.68%0.07739%0.387CS..G310 helixtrans-60.5-20.1-179.9-62.7-179.7000111.8L35 Q36 N39 E55 T61 M65L35-I53 HydrophobicContact CB-CD1 3.79Å; L35-I53 VanDerWaalsContact O-CD1 3.31Å; L35-I53 WeakPolarHBondContact O-CD1 3.48Å; Q36-I53 HydrophobicContact CB-CD1 4.36Å; N39-I53 HydrophobicContact CB-CD1 3.79Å; N39-I53 HydrophobicContact CB-CG1 4.12Å; I53-E55 PolarHBondContact O-N 2.92Å; I53-T61 HydrophobicContact CD1-CG2 4.47Å; I53-T61 HydrophobicContact CG1-CG2 4.09Å; I53-T61 HydrophobicContact CG2-CG2 4.17Å; I53-M65 HydrophobicContact CD1-CE 3.94Å
54R69.5Low74.4Confident197 Ų19778.6 Ų78.674%0.74339%0.387SS*.G310 helixtrans-68.3-18175.1-65.6169.2173.8-163.8-2.7114.1M32 D52M32-R54 HydrophobicContact CE-CG 3.69Å; D52-R54 PolarHBondContact O-N 3.45Å; D52-R54 VanDerWaalsContact OD1-CB 3.3Å; D52-R54 WeakPolarHBondContact OD1-CB 3.39Å; D52-R54 VanDerWaalsContact OD1-CG 3.28Å; D52-R54 WeakPolarHBondContact OD1-CG 3.38Å; D52-R54 PolarHBondContact OD1-N 2.86Å
55E70.1Confident74.2Confident160 Ų16075.4 Ų75.475%0.74837%0.372SS*.G310 helixtrans-95.6-14.5-178-61.1-175.4157.800113.3D52 I53D52-E55 HydrophobicContact CB-CG 4.37Å; D52-E55 PolarHBondContact O-N 3.23Å; I53-E55 PolarHBondContact O-N 2.92Å
56E71.9Confident74Confident44 Ų4478.2 Ų78.221%0.20638%0.384CS..SBendtrans-106.9150.4179.3-72.1-175.8145.200112.3I51 T61 R64I51-E56 HydrophobicContact CG2-CG 3.97Å; E56-T61 WeakPolarHBondContact CB-OG1 3.5Å; E56-T61 PolarHBondContact OE2-OG1 3.42Å; E56-R64 IonicContact OE1-CZ 3.96Å; E56-R64 IonicContact OE1-NE 2.81Å; E56-R64 PolarHBondContact OE1-NE 2.86Å; E56-R64 VanDerWaalsContact OE1-NE 3.08Å; E56-R64 IonicContact OE1-NH2 2.93Å; E56-R64 IonicContact OE2-CZ 2.61Å; E56-R64 VanDerWaalsContact OE2-CZ 3.28Å; E56-R64 IonicContact OE2-NE 2.62Å; E56-R64 PolarHBondContact OE2-NE 3.4Å; E56-R64 IonicContact OE2-NH2 3.95Å; E56-R64 PolarHBondContact OE2-NH2 2.94Å
57M75.2Confident74Confident131 Ų13180.3 Ų80.365%0.64540%0.398SS*.  trans-68.2136.9168.9-71.3-72175.800110.1D59 Q60 T61M57-D59 VanDerWaalsContact C-N 3.26Å; M57-D59 PolarHBondContact O-N 3.09Å; M57-Q60 HydrophobicContact CB-CB 4.38Å; M57-Q60 HydrophobicContact CB-CG 4.07Å; M57-Q60 WeakPolarHBondContact O-CA 3.35Å; M57-Q60 WeakPolarHBondContact O-CB 3.3Å; M57-Q60 PolarHBondContact O-N 3.42Å; M57-T61 PolarHBondContact O-N 3.18Å; M57-T61 PolarHBondContact O-OG1 3.44Å
58P72.8Confident74Confident76 Ų7675.9 Ų75.949%0.49437%0.37SS..Hα-helixtrans-52.2-37.5-174.4-30.735.7000115.3A62 V91P58-A62 VanDerWaalsContact O-CB 3.3Å; P58-A62 WeakPolarHBondContact O-CB 3.31Å; P58-A62 PolarHBondContact O-N 3.09Å; P58-V91 HydrophobicContact CB-CG1 4.06Å
59D76.1Confident74.3Confident118 Ų11869.6 Ų69.663%0.63134%0.342SS*.Hα-helixtrans-68.6-32.4176.4-68.2-32.1000113M57 K63 V91M57-D59 VanDerWaalsContact C-N 3.26Å; M57-D59 PolarHBondContact O-N 3.09Å; D59-K63 VanDerWaalsContact O-CB 3.26Å; D59-K63 WeakPolarHBondContact O-CB 3.29Å; D59-K63 PolarHBondContact O-N 3.3Å; D59-V91 WeakPolarHBondContact OD1-CG2 3.41Å
60Q77.1Confident74.7Confident120 Ų12070.6 Ų70.656%0.56136%0.357SS*.Hα-helixtrans-73.7-44.7176.2-63.9178.2-7.700110.5M57 A62 K63 R64M57-Q60 HydrophobicContact CB-CB 4.38Å; M57-Q60 HydrophobicContact CB-CG 4.07Å; M57-Q60 WeakPolarHBondContact O-CA 3.35Å; M57-Q60 WeakPolarHBondContact O-CB 3.3Å; M57-Q60 PolarHBondContact O-N 3.42Å; Q60-A62 PolarHBondContact O-N 3.27Å; Q60-K63 PolarHBondContact O-N 3.42Å; Q60-R64 WeakPolarHBondContact O-CB 3.42Å; Q60-R64 PolarHBondContact O-N 2.94Å
61T77.7Confident75.2Confident7 Ų769.4 Ų69.44%0.04335%0.345CS..Hα-helixtrans-58.2-48.3173.6-42.90000111I53 E56 M57 K63 R64 M65I53-T61 HydrophobicContact CD1-CG2 4.47Å; I53-T61 HydrophobicContact CG1-CG2 4.09Å; I53-T61 HydrophobicContact CG2-CG2 4.17Å; E56-T61 WeakPolarHBondContact CB-OG1 3.5Å; E56-T61 PolarHBondContact OE2-OG1 3.42Å; M57-T61 PolarHBondContact O-N 3.18Å; M57-T61 PolarHBondContact O-OG1 3.44Å; T61-K63 VanDerWaalsContact C-N 3.35Å; T61-K63 PolarHBondContact O-N 3.31Å; T61-R64 PolarHBondContact O-N 3.15Å; T61-M65 HydrophobicContact CG2-CE 3.84Å; T61-M65 HydrophobicContact CG2-SD 4.36Å; T61-M65 WeakPolarHBondContact O-CB 3.27Å; T61-M65 WeakPolarHBondContact O-CG 3.44Å; T61-M65 PolarHBondContact O-N 3.42Å
62A76.1Confident75.5Confident9 Ų966.9 Ų66.97%0.07433%0.332CS..Hα-helixtrans-63.4-38.6177.700000112.1P58 Q60 F66 L90 V91P58-A62 VanDerWaalsContact O-CB 3.3Å; P58-A62 WeakPolarHBondContact O-CB 3.31Å; P58-A62 PolarHBondContact O-N 3.09Å; Q60-A62 PolarHBondContact O-N 3.27Å; A62-F66 WeakPolarHBondContact O-CB 3.46Å; A62-F66 PolarHBondContact O-N 2.94Å; A62-L90 HydrophobicContact CB-CB 4.42Å; A62-L90 HydrophobicContact CB-CD2 4.21Å; A62-L90 HydrophobicContact CB-CG 4.15Å; A62-L90 WeakPolarHBondContact O-CD2 3.5Å; A62-V91 HydrophobicContact CB-CB 4.45Å; A62-V91 HydrophobicContact CB-CG2 3.4Å; A62-V91 VanDerWaalsContact CB-CG2 3.4Å
63K79.3Confident75.9Confident156 Ų15670.6 Ų70.668%0.67835%0.345SS*.Hα-helixtrans-64.9-43174.3-172.4178.9179.7-176.20111.9D59 Q60 T61 F66 T67D59-K63 VanDerWaalsContact O-CB 3.26Å; D59-K63 WeakPolarHBondContact O-CB 3.29Å; D59-K63 PolarHBondContact O-N 3.3Å; Q60-K63 PolarHBondContact O-N 3.42Å; T61-K63 VanDerWaalsContact C-N 3.35Å; T61-K63 PolarHBondContact O-N 3.31Å; K63-F66 PolarHBondContact O-N 2.81Å; K63-T67 PolarHBondContact O-N 3.01Å; K63-T67 PolarHBondContact O-OG1 3.43Å
64R81.6Confident76.4Confident38 Ų3871 Ų7114%0.14335%0.346CS..Hα-helixtrans-60-52.2175.6173.5172.862.185.7-12.2111.3N39 E56 Q60 T61 F66 T67 L68N39-R64 PolarHBondContact OD1-NH1 3.41Å; N39-R64 PolarHBondContact OD1-NH2 3.46Å; E56-R64 IonicContact OE1-CZ 3.96Å; E56-R64 IonicContact OE1-NE 2.81Å; E56-R64 PolarHBondContact OE1-NE 2.86Å; E56-R64 VanDerWaalsContact OE1-NE 3.08Å; E56-R64 IonicContact OE1-NH2 2.93Å; E56-R64 IonicContact OE2-CZ 2.61Å; E56-R64 VanDerWaalsContact OE2-CZ 3.28Å; E56-R64 IonicContact OE2-NE 2.62Å; E56-R64 PolarHBondContact OE2-NE 3.4Å; E56-R64 IonicContact OE2-NH2 3.95Å; E56-R64 PolarHBondContact OE2-NH2 2.94Å; Q60-R64 WeakPolarHBondContact O-CB 3.42Å; Q60-R64 PolarHBondContact O-N 2.94Å; T61-R64 PolarHBondContact O-N 3.15Å; R64-F66 PolarHBondContact O-N 3.45Å; R64-T67 PolarHBondContact O-N 3.4Å; R64-L68 PolarHBondContact O-N 3.44Å
65M77.6Confident76.7Confident1 Ų170.3 Ų70.31%0.00535%0.348CS..Hα-helixtrans-62-42.3177.5-71.2-178.9177.100112.1L38 N39 L42 I53 T61 L68 L69 L90L38-M65 HydrophobicContact CD2-SD 4.27Å; N39-M65 HydrophobicContact CB-CE 3.52Å; L42-M65 HydrophobicContact CD1-CB 4.41Å; L42-M65 HydrophobicContact CD1-CG 4Å; L42-M65 HydrophobicContact CD1-SD 4.5Å; I53-M65 HydrophobicContact CD1-CE 3.94Å; T61-M65 HydrophobicContact CG2-CE 3.84Å; T61-M65 HydrophobicContact CG2-SD 4.36Å; T61-M65 WeakPolarHBondContact O-CB 3.27Å; T61-M65 WeakPolarHBondContact O-CG 3.44Å; T61-M65 PolarHBondContact O-N 3.42Å; M65-L68 PolarHBondContact O-N 3.49Å; M65-L69 WeakPolarHBondContact O-CB 3.31Å; M65-L69 VanDerWaalsContact O-CG 3.29Å; M65-L69 WeakPolarHBondContact O-CG 3.49Å; M65-L69 PolarHBondContact O-N 3.4Å; M65-L90 HydrophobicContact CB-CD2 4.01Å; M65-L90 HydrophobicContact SD-CD1 4.32Å
66F77Confident76.7Confident64 Ų6465.4 Ų65.428%0.28133%0.33SS..Hα-helixtrans-62.4-44.1177.5-175.7-89.4000112A62 K63 R64 L69 G70 F86 R87 L90A62-F66 WeakPolarHBondContact O-CB 3.46Å; A62-F66 PolarHBondContact O-N 2.94Å; K63-F66 PolarHBondContact O-N 2.81Å; R64-F66 PolarHBondContact O-N 3.45Å; F66-L69 PolarHBondContact O-N 3.26Å; F66-G70 PolarHBondContact O-N 3.3Å; F66-F86 AromaticContact CD2-CD1 3.79Å; F66-F86 HydrophobicContact CD2-CD1 3.79Å; F66-F86 AromaticContact CD2-CE1 3.79Å; F66-F86 HydrophobicContact CD2-CE1 3.79Å; F66-F86 AromaticContact CE2-CD1 3.72Å; F66-F86 HydrophobicContact CE2-CD1 3.72Å; F66-F86 AromaticContact CE2-CE1 3.99Å; F66-F86 HydrophobicContact CE2-CE1 3.99Å; F66-R87 HydrophobicContact CD2-CG 4.25Å; F66-R87 HydrophobicContact CE2-CG 4.43Å; F66-L90 HydrophobicContact CB-CD2 4.37Å
67T79Confident76.3Confident76 Ų7667.8 Ų67.847%0.46635%0.349SS..Hα-helixtrans-63.1-42.1175.6-650000111.6K63 R64 G70 M71K63-T67 PolarHBondContact O-N 3.01Å; K63-T67 PolarHBondContact O-OG1 3.43Å; R64-T67 PolarHBondContact O-N 3.4Å; T67-G70 PolarHBondContact O-N 3.11Å; T67-M71 HydrophobicContact CG2-CE 4.37Å; T67-M71 WeakPolarHBondContact O-CG 3.34Å; T67-M71 PolarHBondContact O-N 3.47Å
68L77.3Confident75.3Confident3 Ų364.2 Ų64.22%0.01635%0.346CS..Hα-helixtrans-64-47.3175.6179.662.1000112.3L42 Q49 R64 M65 G70 M71 L72L42-L68 HydrophobicContact CB-CD2 4.09Å; L42-L68 HydrophobicContact CD2-CD2 3.83Å; L42-L68 HydrophobicContact CG-CD2 4.36Å; Q49-L68 VanDerWaalsContact CD-CD2 3.45Å; Q49-L68 HydrophobicContact CG-CD2 3.67Å; R64-L68 PolarHBondContact O-N 3.44Å; M65-L68 PolarHBondContact O-N 3.49Å; L68-G70 PolarHBondContact O-N 3.02Å; L68-M71 HydrophobicContact CB-CE 4.42Å; L68-M71 HydrophobicContact CD1-CE 3.89Å; L68-M71 PolarHBondContact O-N 2.62Å; L68-L72 HydrophobicContact CD1-CD1 4.36Å; L68-L72 HydrophobicContact CD1-CG 4.27Å; L68-L72 HydrophobicContact CG-CD1 4.1Å; L68-L72 HydrophobicContact CG-CG 4.43Å; L68-L72 WeakPolarHBondContact O-CG 3.35Å; L68-L72 PolarHBondContact O-N 2.86Å
69L78.1Confident74.2Confident5 Ų568.4 Ų68.43%0.02636%0.364CS..Hα-helixtrans-59.2-34.4175.3-71170.3000111.5L42 M65 F66 L72 K73 Y74 I101 L105L42-L69 HydrophobicContact CD2-CD2 4.35Å; M65-L69 WeakPolarHBondContact O-CB 3.31Å; M65-L69 VanDerWaalsContact O-CG 3.29Å; M65-L69 WeakPolarHBondContact O-CG 3.49Å; M65-L69 PolarHBondContact O-N 3.4Å; F66-L69 PolarHBondContact O-N 3.26Å; L69-L72 PolarHBondContact O-N 3.02Å; L69-K73 PolarHBondContact O-N 2.92Å; L69-K73 VanDerWaalsContact O-N 3.08Å; L69-Y74 HydrophobicContact CD2-CG 4.42Å; L69-Y74 PolarHBondContact O-N 2.83Å; L69-I101 HydrophobicContact CD1-CD1 4.17Å; L69-I101 HydrophobicContact CD1-CG2 4.27Å; L69-I101 HydrophobicContact CD2-CG2 3.92Å; L69-L105 HydrophobicContact CD2-CD2 4.29Å
70G77Confident73.1Confident36 Ų3666.9 Ų66.937%0.37135%0.354SS..Hα-helixtrans-64.5-42.7170.900000114F66 T67 L68 K73F66-G70 PolarHBondContact O-N 3.3Å; T67-G70 PolarHBondContact O-N 3.11Å; L68-G70 PolarHBondContact O-N 3.02Å; G70-K73 WeakPolarHBondContact O-CD 3.27Å; G70-K73 PolarHBondContact O-N 2.69Å; G70-K73 VanDerWaalsContact O-N 3.11Å
71M77.3Confident71.7Confident80 Ų8066.4 Ų66.439%0.39436%0.364SS..Hα-helixtrans-65.8-39.2173.8-69-171.7-68.800112.1T67 L68 K73T67-M71 HydrophobicContact CG2-CE 4.37Å; T67-M71 WeakPolarHBondContact O-CG 3.34Å; T67-M71 PolarHBondContact O-N 3.47Å; L68-M71 HydrophobicContact CB-CE 4.42Å; L68-M71 HydrophobicContact CD1-CE 3.89Å; L68-M71 PolarHBondContact O-N 2.62Å; M71-K73 PolarHBondContact O-N 2.94Å
72L78.7Confident70.8Confident2 Ų271.9 Ų71.91%0.0139%0.389CS..THydrogen-bonded Turntrans-69.4-9.3172.8-64.7175.8000113.1L42 I45 L68 L69 Y74 W104 L105 L112 R115 A116L42-L72 HydrophobicContact CD2-CD1 4.35Å; I45-L72 HydrophobicContact CG2-CD1 4.29Å; I45-L72 HydrophobicContact CG2-CD2 4.29Å; L68-L72 HydrophobicContact CD1-CD1 4.36Å; L68-L72 HydrophobicContact CD1-CG 4.27Å; L68-L72 HydrophobicContact CG-CD1 4.1Å; L68-L72 HydrophobicContact CG-CG 4.43Å; L68-L72 WeakPolarHBondContact O-CG 3.35Å; L68-L72 PolarHBondContact O-N 2.86Å; L69-L72 PolarHBondContact O-N 3.02Å; L72-Y74 VanDerWaalsContact C-N 3.33Å; L72-W104 HydrophobicContact CB-CH2 4.17Å; L72-W104 HydrophobicContact CB-CZ3 4.33Å; L72-L105 HydrophobicContact CD1-CD2 4.2Å; L72-L112 HydrophobicContact CB-CD2 4.3Å; L72-L112 HydrophobicContact CD2-CB 4.44Å; L72-L112 HydrophobicContact CD2-CD2 4.12Å; L72-R115 HydrophobicContact CD2-CB 4.34Å; L72-R115 HydrophobicContact CD2-CG 4.38Å; L72-R115 WeakPolarHBondContact O-CD 3.49Å; L72-R115 PolarHBondContact O-NE 2.85Å; L72-A116 HydrophobicContact CD2-CB 4.29Å
73K77.3Confident70.2Confident145 Ų14575.5 Ų75.563%0.6341%0.412SS*.THydrogen-bonded Turntrans57.538.6-175.5-59.1-67.1-178.3-173.20113.5L69 G70 M71 R115L69-K73 PolarHBondContact O-N 2.92Å; L69-K73 VanDerWaalsContact O-N 3.08Å; G70-K73 WeakPolarHBondContact O-CD 3.27Å; G70-K73 PolarHBondContact O-N 2.69Å; G70-K73 VanDerWaalsContact O-N 3.11Å; M71-K73 PolarHBondContact O-N 2.94Å; K73-R115 VanDerWaalsContact CG-NH2 3.27Å
74Y78.8Confident69.6Low24 Ų2471.8 Ų71.89%0.09441%0.406CS..  trans-60.8136.3167.6-179.1-115.1000110.4L69 L72 P76 P77 F86 I101 W104L69-Y74 HydrophobicContact CD2-CG 4.42Å; L69-Y74 PolarHBondContact O-N 2.83Å; L72-Y74 VanDerWaalsContact C-N 3.33Å; Y74-P76 HydrophobicContact CE1-CB 4.1Å; Y74-P77 VanDerWaalsContact OH-CD 3.28Å; Y74-P77 WeakPolarHBondContact OH-CD 3.3Å; Y74-F86 HydrophobicContact CD1-CZ 4.41Å; Y74-F86 HydrophobicContact CE1-CE2 4.29Å; Y74-F86 HydrophobicContact CE1-CZ 4.1Å; Y74-I101 HydrophobicContact CD1-CG1 4.39Å; Y74-I101 HydrophobicContact CE1-CD1 4.4Å; Y74-I101 HydrophobicContact CE1-CG1 3.57Å; Y74-I101 PolarHBondContact OH-N 2.98Å; Y74-W104 HydrophobicContact CD2-CB 4.29Å; Y74-W104 AromaticContact CD2-CD2 3.47Å; Y74-W104 HydrophobicContact CD2-CD2 3.47Å; Y74-W104 VanDerWaalsContact CD2-CD2 3.47Å; Y74-W104 AromaticContact CD2-CE2 3.94Å; Y74-W104 AromaticContact CD2-CE3 3.45Å; Y74-W104 HydrophobicContact CD2-CE3 3.45Å; Y74-W104 VanDerWaalsContact CD2-CE3 3.45Å; Y74-W104 AromaticContact CD2-CG 3.85Å; Y74-W104 HydrophobicContact CD2-CG 3.85Å; Y74-W104 HydrophobicContact CD2-CH2 4.32Å; Y74-W104 HydrophobicContact CD2-CZ2 4.35Å; Y74-W104 AromaticContact CD2-CZ3 3.9Å; Y74-W104 HydrophobicContact CD2-CZ3 3.9Å; Y74-W104 HydrophobicContact CE2-CB 3.83Å; Y74-W104 AromaticContact CE2-CD2 3.96Å; Y74-W104 HydrophobicContact CE2-CD2 3.96Å; Y74-W104 HydrophobicContact CE2-CE3 4.15Å; Y74-W104 AromaticContact CE2-CG 3.82Å; Y74-W104 HydrophobicContact CE2-CG 3.82Å; Y74-W104 HydrophobicContact CG-CE3 4.24Å; Y74-W104 HydrophobicContact CG-CZ3 4.3Å
75K74.1Confident69Low182 Ų18271.8 Ų71.879%0.79141%0.412SS*.  trans-116.6118.6169.4-70-173.3176.4-174.70107.8
76P71.1Confident68.8Low56 Ų5672.5 Ų72.536%0.36442%0.415SS..  trans-63.2135.3178.725.3-32.7000110.5Y74 G78 F86Y74-P76 HydrophobicContact CE1-CB 4.1Å; P76-G78 PolarHBondContact O-N 2.81Å; P76-F86 HydrophobicContact CB-CD2 3.97Å; P76-F86 HydrophobicContact CB-CE2 3.75Å; P76-F86 HydrophobicContact CG-CD2 4.35Å; P76-F86 HydrophobicContact CG-CE2 4.36Å
77P62.5Low68.5Low94 Ų9475.9 Ų75.961%0.6143%0.426SS*.SBendtrans-77.6114.5-179.528.3-32000111.4Y74 P100Y74-P77 VanDerWaalsContact OH-CD 3.28Å; Y74-P77 WeakPolarHBondContact OH-CD 3.3Å; P77-P100 HydrophobicContact CG-CB 3.76Å; P77-P100 HydrophobicContact CG-CG 4.42Å
78G55.5Low68.4Low56 Ų5678.7 Ų78.758%0.57743%0.434SS*.SBendtrans121.8161.217500000113.3P76 M80P76-G78 PolarHBondContact O-N 2.81Å; G78-M80 PolarHBondContact O-N 3.46Å
79N49Very low68.4Low164 Ų16479 Ų7988%0.87744%0.437SS*.  trans-7457.5177.2-70.4-6.7000111.9S81N79-S81 PolarHBondContact O-N 2.92Å
80M52.7Low68.4Low87 Ų8778.8 Ų78.843%0.42944%0.436SS..  trans-75.977.8162.8-65.7-166.788.800108.1G78 E82G78-M80 PolarHBondContact O-N 3.46Å; M80-E82 PolarHBondContact O-N 2.85Å
81S48.3Very low68.6Low110 Ų11079.2 Ų79.277%0.76943%0.431SS*.  trans-65.83-174.3-57.10000114.9N79N79-S81 PolarHBondContact O-N 2.92Å
82E57.7Low68.6Low121 Ų12179.3 Ų79.357%0.56544%0.436SS*.  trans-125.8114.5176.9-68.2-166.7-177.500111.9M80 S84 S85M80-E82 PolarHBondContact O-N 2.85Å; E82-S84 PolarHBondContact O-N 2.94Å; E82-S84 VanDerWaalsContact O-N 3.1Å; E82-S85 PolarHBondContact O-N 3.24Å; E82-S85 PolarHBondContact O-OG 3.43Å
83P64Low68.6Low85 Ų8579.2 Ų79.255%0.55244%0.436SS*.Hα-helixtrans-54.1-27.3169.5-26.335.3000113.3R87P83-R87 WeakPolarHBondContact O-CB 3.22Å; P83-R87 VanDerWaalsContact O-CG 3.27Å; P83-R87 WeakPolarHBondContact O-CG 3.38Å; P83-R87 PolarHBondContact O-N 2.8Å
84S66.5Low68.8Low79 Ų7973.7 Ų73.755%0.55242%0.416SS*.Hα-helixtrans-59.8-48174.6-49.50000112.2E82 F86 R87 Q88E82-S84 PolarHBondContact O-N 2.94Å; E82-S84 VanDerWaalsContact O-N 3.1Å; S84-F86 PolarHBondContact O-N 3.44Å; S84-R87 PolarHBondContact O-N 3.49Å; S84-Q88 WeakPolarHBondContact O-CB 3.37Å; S84-Q88 PolarHBondContact O-N 3.21Å
85S70.1Confident68.9Low38 Ų3876.1 Ų76.127%0.26643%0.427SS..Hα-helixtrans-64.9-39-179.568.80000112.6E82 Q88 G89E82-S85 PolarHBondContact O-N 3.24Å; E82-S85 PolarHBondContact O-OG 3.43Å; S85-Q88 PolarHBondContact O-N 3.02Å; S85-G89 PolarHBondContact O-N 2.9Å
86F72.5Confident69.2Low15 Ų1572.5 Ų72.57%0.06642%0.422CS..Hα-helixtrans-68.3-40.8175.6-176.5-95.2000111.9F66 Y74 P76 S84 G89 L90 V97 I101F66-F86 AromaticContact CD2-CD1 3.79Å; F66-F86 HydrophobicContact CD2-CD1 3.79Å; F66-F86 AromaticContact CD2-CE1 3.79Å; F66-F86 HydrophobicContact CD2-CE1 3.79Å; F66-F86 AromaticContact CE2-CD1 3.72Å; F66-F86 HydrophobicContact CE2-CD1 3.72Å; F66-F86 AromaticContact CE2-CE1 3.99Å; F66-F86 HydrophobicContact CE2-CE1 3.99Å; Y74-F86 HydrophobicContact CD1-CZ 4.41Å; Y74-F86 HydrophobicContact CE1-CE2 4.29Å; Y74-F86 HydrophobicContact CE1-CZ 4.1Å; P76-F86 HydrophobicContact CB-CD2 3.97Å; P76-F86 HydrophobicContact CB-CE2 3.75Å; P76-F86 HydrophobicContact CG-CD2 4.35Å; P76-F86 HydrophobicContact CG-CE2 4.36Å; S84-F86 PolarHBondContact O-N 3.44Å; F86-G89 PolarHBondContact O-N 3.02Å; F86-L90 PolarHBondContact O-N 3.25Å; F86-V97 HydrophobicContact CD2-CG1 3.91Å; F86-V97 HydrophobicContact CE2-CG1 3.63Å; F86-V97 HydrophobicContact CZ-CG1 4.27Å; F86-I101 HydrophobicContact CE2-CD1 4.23Å; F86-I101 HydrophobicContact CZ-CD1 3.9Å
87R71.9Confident69.6Low135 Ų13570.4 Ų70.451%0.50941%0.408SS..Hα-helixtrans-62.1-46.9173.4-74.5171.8-179.8-1721.8111.5F66 P83 S84 G89 L90 V91F66-R87 HydrophobicContact CD2-CG 4.25Å; F66-R87 HydrophobicContact CE2-CG 4.43Å; P83-R87 WeakPolarHBondContact O-CB 3.22Å; P83-R87 VanDerWaalsContact O-CG 3.27Å; P83-R87 WeakPolarHBondContact O-CG 3.38Å; P83-R87 PolarHBondContact O-N 2.8Å; S84-R87 PolarHBondContact O-N 3.49Å; R87-G89 VanDerWaalsContact C-N 3.32Å; R87-G89 PolarHBondContact O-N 3.16Å; R87-L90 PolarHBondContact O-N 3.09Å; R87-L90 VanDerWaalsContact O-N 3.11Å; R87-V91 WeakPolarHBondContact O-CG2 3.49Å; R87-V91 PolarHBondContact O-N 3.12Å
88Q76.9Confident70.5Confident136 Ų13665.9 Ų65.964%0.63638%0.379SS*.Hα-helixtrans-61.3-40.3176.4-169.7178.614.100111.8S84 S85 L90 V91 T92S84-Q88 WeakPolarHBondContact O-CB 3.37Å; S84-Q88 PolarHBondContact O-N 3.21Å; S85-Q88 PolarHBondContact O-N 3.02Å; Q88-L90 VanDerWaalsContact C-N 3.27Å; Q88-L90 PolarHBondContact O-N 3.27Å; Q88-V91 PolarHBondContact O-N 3.41Å; Q88-T92 HydrophobicContact CG-CG2 4.49Å; Q88-T92 WeakPolarHBondContact O-CB 3.4Å; Q88-T92 WeakPolarHBondContact O-CG2 3.38Å; Q88-T92 PolarHBondContact O-N 2.84Å; Q88-T92 PolarHBondContact O-OG1 2.92Å
89G75.9Confident71.9Confident8 Ų864.3 Ų64.38%0.08236%0.356CS..Hα-helixtrans-65.9-24.7175.100000114.6S85 F86 R87 G93 S94S85-G89 PolarHBondContact O-N 2.9Å; F86-G89 PolarHBondContact O-N 3.02Å; R87-G89 VanDerWaalsContact C-N 3.32Å; R87-G89 PolarHBondContact O-N 3.16Å; G89-G93 PolarHBondContact O-N 3.17Å; G89-S94 WeakPolarHBondContact CA-OG 3.44Å; G89-S94 PolarHBondContact O-N 3.46Å; G89-S94 PolarHBondContact O-OG 3.22Å
90L79Confident73.5Confident2 Ų258 Ų581%0.0132%0.324CS..Hα-helixtrans-84.1-39.9173.9-169.562.7000112L35 L38 A62 M65 F66 F86 R87 Q88 T92 G93L35-L90 HydrophobicContact CD2-CD1 4.23Å; L35-L90 WeakPolarHBondContact CD2-O 3.24Å; L38-L90 HydrophobicContact CD2-CD1 3.99Å; A62-L90 HydrophobicContact CB-CB 4.42Å; A62-L90 HydrophobicContact CB-CD2 4.21Å; A62-L90 HydrophobicContact CB-CG 4.15Å; A62-L90 WeakPolarHBondContact O-CD2 3.5Å; M65-L90 HydrophobicContact CB-CD2 4.01Å; M65-L90 HydrophobicContact SD-CD1 4.32Å; F66-L90 HydrophobicContact CB-CD2 4.37Å; F86-L90 PolarHBondContact O-N 3.25Å; R87-L90 PolarHBondContact O-N 3.09Å; R87-L90 VanDerWaalsContact O-N 3.11Å; Q88-L90 VanDerWaalsContact C-N 3.27Å; Q88-L90 PolarHBondContact O-N 3.27Å; L90-T92 VanDerWaalsContact C-N 3.34Å; L90-G93 PolarHBondContact O-N 3.1Å
91V80Confident74.9Confident45 Ų4553.8 Ų53.827%0.27330%0.303SS..Hα-helixtrans-63.2-39.4173.1172.70000111.6P58 D59 A62 R87 Q88P58-V91 HydrophobicContact CB-CG1 4.06Å; D59-V91 WeakPolarHBondContact OD1-CG2 3.41Å; A62-V91 HydrophobicContact CB-CB 4.45Å; A62-V91 HydrophobicContact CB-CG2 3.4Å; A62-V91 VanDerWaalsContact CB-CG2 3.4Å; R87-V91 WeakPolarHBondContact O-CG2 3.49Å; R87-V91 PolarHBondContact O-N 3.12Å; Q88-V91 PolarHBondContact O-N 3.41Å
92T79.3Confident76.5Confident81 Ų8148.6 Ų48.650%0.49727%0.267SS..THydrogen-bonded Turntrans-85.1-3.7-178.454.30000114.6P31 Q88 L90P31-T92 WeakPolarHBondContact CB-O 3.37Å; Q88-T92 HydrophobicContact CG-CG2 4.49Å; Q88-T92 WeakPolarHBondContact O-CB 3.4Å; Q88-T92 WeakPolarHBondContact O-CG2 3.38Å; Q88-T92 PolarHBondContact O-N 2.84Å; Q88-T92 PolarHBondContact O-OG1 2.92Å; L90-T92 VanDerWaalsContact C-N 3.34Å
93G77.5Confident77.8Confident1 Ų144.9 Ų44.91%0.0125%0.249CC..THydrogen-bonded Turntrans68.332.2179.600000114.9G89 L90 K95G89-G93 PolarHBondContact O-N 3.17Å; L90-G93 PolarHBondContact O-N 3.1Å; G93-K95 PolarHBondContact O-N 2.85Å
94S81.9Confident78.8Confident29 Ų2943.4 Ų43.420%0.20323%0.233CC..  trans-71.9125.2-168.867.50000113.5G89 P96 V97 I98G89-S94 WeakPolarHBondContact CA-OG 3.44Å; G89-S94 PolarHBondContact O-N 3.46Å; G89-S94 PolarHBondContact O-OG 3.22Å; S94-P96 VanDerWaalsContact C-CD 3.46Å; S94-V97 PolarHBondContact O-N 3.3Å; S94-V97 WeakPolarHBondContact OG-CB 3.3Å; S94-V97 WeakPolarHBondContact OG-CG2 3.46Å; S94-I98 PolarHBondContact O-N 2.72Å
95K80.8Confident79.6Confident75 Ų7539.6 Ų39.633%0.32621%0.207SC..Hα-helixtrans-45-48.1175.2-68.3-176.4175.9-172.90115.5D27 L34 G93 V97 I98 H99D27-K95 WeakPolarHBondContact O-CE 3.46Å; D27-K95 PolarHBondContact O-NZ 2.95Å; D27-K95 IonicContact OD1-NZ 3.94Å; D27-K95 PolarHBondContact OD1-NZ 3.16Å; D27-K95 IonicContact OD2-NZ 2.62Å; L34-K95 HydrophobicContact CD2-CG 3.92Å; G93-K95 PolarHBondContact O-N 2.85Å; K95-V97 PolarHBondContact O-N 2.72Å; K95-I98 PolarHBondContact O-N 3.46Å; K95-H99 WeakPolarHBondContact O-CB 3.5Å; K95-H99 VanDerWaalsContact O-CG 3.31Å; K95-H99 PolarHBondContact O-N 3.22Å
96P79.3Confident80.3Confident105 Ų10538 Ų3868%0.68220%0.195SC*.Hα-helixtrans-66.2-18.9-17926.6-36.3000113.9S94 P100S94-P96 VanDerWaalsContact C-CD 3.46Å; P96-P100 WeakPolarHBondContact O-CD 3.25Å; P96-P100 VanDerWaalsContact O-CG 3.28Å; P96-P100 WeakPolarHBondContact O-CG 3.46Å
97V80.6Confident80.9Confident12 Ų1242.6 Ų42.67%0.07322%0.216CC..Hα-helixtrans-92-43174.8176.20000111F86 S94 K95 P100 I101F86-V97 HydrophobicContact CD2-CG1 3.91Å; F86-V97 HydrophobicContact CE2-CG1 3.63Å; F86-V97 HydrophobicContact CZ-CG1 4.27Å; S94-V97 PolarHBondContact O-N 3.3Å; S94-V97 WeakPolarHBondContact OG-CB 3.3Å; S94-V97 WeakPolarHBondContact OG-CG2 3.46Å; K95-V97 PolarHBondContact O-N 2.72Å; V97-P100 WeakPolarHBondContact O-CD 3.49Å; V97-I101 HydrophobicContact CG1-CD1 3.91Å; V97-I101 VanDerWaalsContact O-CD1 3.27Å; V97-I101 WeakPolarHBondContact O-CD1 3.43Å; V97-I101 VanDerWaalsContact O-CG1 3.25Å; V97-I101 WeakPolarHBondContact O-CG1 3.41Å
98I81.9Confident81.4Confident0 Ų041.1 Ų41.10%021%0.211CC..Hα-helixtrans-76-39.6-175.6-61.3174.8000112.8L34 L35 L38 S94 K95 I101 L102L34-I98 HydrophobicContact CD1-CG2 4.07Å; L34-I98 HydrophobicContact CD2-CB 4.11Å; L34-I98 HydrophobicContact CD2-CD1 4.1Å; L34-I98 HydrophobicContact CD2-CG2 4.25Å; L34-I98 HydrophobicContact CG-CB 4.2Å; L34-I98 HydrophobicContact CG-CD1 3.96Å; L34-I98 HydrophobicContact CG-CG2 3.83Å; L35-I98 HydrophobicContact CD2-CD1 3.61Å; L35-I98 HydrophobicContact CG-CD1 3.84Å; L38-I98 HydrophobicContact CB-CG2 4.18Å; L38-I98 HydrophobicContact CD2-CG1 4.27Å; L38-I98 HydrophobicContact CD2-CG2 4.19Å; S94-I98 PolarHBondContact O-N 2.72Å; K95-I98 PolarHBondContact O-N 3.46Å; I98-I101 PolarHBondContact O-N 3.37Å; I98-I101 VanDerWaalsContact O-N 3.1Å; I98-L102 HydrophobicContact CG2-CD1 3.72Å; I98-L102 HydrophobicContact CG2-CG 3.84Å; I98-L102 PolarHBondContact O-N 3.5Å
99H83.7Confident81.6Confident23 Ų2336.1 Ų36.111%0.10619%0.188CC..Hα-helixtrans-60.5-43-177.9-64.4174.7000112.8I8 F26 K95 I101 H103I8-H99 HydrophobicContact CD1-CB 4.28Å; I8-H99 WeakPolarHBondContact CD1-O 3.41Å; F26-H99 AromaticContact CE1-NE2 3.98Å; K95-H99 WeakPolarHBondContact O-CB 3.5Å; K95-H99 VanDerWaalsContact O-CG 3.31Å; K95-H99 PolarHBondContact O-N 3.22Å; H99-I101 PolarHBondContact O-N 3.4Å; H99-H103 WeakPolarHBondContact O-CB 3.39Å; H99-H103 PolarHBondContact O-N 3.34Å
100P84.1Confident81.9Confident30 Ų3040.7 Ų40.720%0.19522%0.215CC..Hα-helixtrans-63.8-35.2172.3-24.635.9000114.3P77 P96 V97 W104P77-P100 HydrophobicContact CG-CB 3.76Å; P77-P100 HydrophobicContact CG-CG 4.42Å; P96-P100 WeakPolarHBondContact O-CD 3.25Å; P96-P100 VanDerWaalsContact O-CG 3.28Å; P96-P100 WeakPolarHBondContact O-CG 3.46Å; V97-P100 WeakPolarHBondContact O-CD 3.49Å; P100-W104 WeakPolarHBondContact O-CB 3.33Å; P100-W104 PolarHBondContact O-N 3.2Å; P100-W104 VanDerWaalsContact O-N 3.08Å
101I81.3Confident82Confident0 Ų045.7 Ų45.70%024%0.238CC..Hα-helixtrans-65.8-52.2176.1-63.7164.9000109.8L38 L69 Y74 F86 V97 I98 H99 H103 W104 L105L38-I101 HydrophobicContact CD1-CB 4.41Å; L38-I101 HydrophobicContact CD1-CG2 3.56Å; L38-I101 HydrophobicContact CD2-CG2 4.47Å; L69-I101 HydrophobicContact CD1-CD1 4.17Å; L69-I101 HydrophobicContact CD1-CG2 4.27Å; L69-I101 HydrophobicContact CD2-CG2 3.92Å; Y74-I101 HydrophobicContact CD1-CG1 4.39Å; Y74-I101 HydrophobicContact CE1-CD1 4.4Å; Y74-I101 HydrophobicContact CE1-CG1 3.57Å; Y74-I101 PolarHBondContact OH-N 2.98Å; F86-I101 HydrophobicContact CE2-CD1 4.23Å; F86-I101 HydrophobicContact CZ-CD1 3.9Å; V97-I101 HydrophobicContact CG1-CD1 3.91Å; V97-I101 VanDerWaalsContact O-CD1 3.27Å; V97-I101 WeakPolarHBondContact O-CD1 3.43Å; V97-I101 VanDerWaalsContact O-CG1 3.25Å; V97-I101 WeakPolarHBondContact O-CG1 3.41Å; I98-I101 PolarHBondContact O-N 3.37Å; I98-I101 VanDerWaalsContact O-N 3.1Å; H99-I101 PolarHBondContact O-N 3.4Å; I101-H103 VanDerWaalsContact C-N 3.33Å; I101-H103 PolarHBondContact O-N 2.9Å; I101-W104 PolarHBondContact O-N 3.23Å; I101-L105 HydrophobicContact CG2-CD1 3.7Å; I101-L105 HydrophobicContact CG2-CG 4.11Å; I101-L105 VanDerWaalsContact O-CG 3.3Å; I101-L105 WeakPolarHBondContact O-CG 3.11Å; I101-L105 PolarHBondContact O-N 3.28Å
102L82.2Confident82.1Confident0 Ų043.8 Ų43.80%023%0.226CC..Hα-helixtrans-57.3-44.6177.3-75.6176.3000111.7I8 F26 L34 I37 L38 V41 I98 W104 L105 L106I8-L102 HydrophobicContact CD1-CB 4.17Å; I8-L102 HydrophobicContact CG1-CB 4.28Å; I8-L102 HydrophobicContact CG2-CB 4.37Å; I8-L102 HydrophobicContact CG2-CD1 4.36Å; F26-L102 HydrophobicContact CZ-CD1 3.96Å; L34-L102 HydrophobicContact CD1-CD1 4Å; I37-L102 HydrophobicContact CG2-CD1 4.45Å; I37-L102 HydrophobicContact CG2-CD2 4.43Å; L38-L102 HydrophobicContact CB-CD2 4.3Å; L38-L102 HydrophobicContact CD1-CD2 3.94Å; L38-L102 HydrophobicContact CD1-CG 4.36Å; V41-L102 HydrophobicContact CB-CD2 4.29Å; V41-L102 HydrophobicContact CG2-CD2 4.03Å; I98-L102 HydrophobicContact CG2-CD1 3.72Å; I98-L102 HydrophobicContact CG2-CG 3.84Å; I98-L102 PolarHBondContact O-N 3.5Å; L102-W104 VanDerWaalsContact C-N 3.34Å; L102-W104 PolarHBondContact O-N 3.38Å; L102-L105 PolarHBondContact O-N 2.86Å; L102-L106 VanDerWaalsContact O-CB 3.25Å; L102-L106 WeakPolarHBondContact O-CB 3.19Å; L102-L106 WeakPolarHBondContact O-CG 3.22Å; L102-L106 PolarHBondContact O-N 3.29Å
103H84.5Confident82.2Confident43 Ų4343.5 Ų43.520%0.19922%0.218CC..Hα-helixtrans-58.1-45176.9-175.967.1000112F7 I8 H99 I101 Q107F7-H103 AromaticContact CD1-CE1 3.78Å; F7-H103 AromaticContact CD1-ND1 3.42Å; F7-H103 WeakPolarHBondContact CD1-ND1 3.37Å; F7-H103 AromaticContact CG-CE1 3.98Å; F7-H103 AromaticContact CG-ND1 3.94Å; I8-H103 HydrophobicContact CD1-CB 4.16Å; I8-H103 HydrophobicContact CG1-CB 4.2Å; H99-H103 WeakPolarHBondContact O-CB 3.39Å; H99-H103 PolarHBondContact O-N 3.34Å; I101-H103 VanDerWaalsContact C-N 3.33Å; I101-H103 PolarHBondContact O-N 2.9Å; H103-Q107 WeakPolarHBondContact O-CB 3.34Å; H103-Q107 PolarHBondContact O-N 2.84Å; H103-Q107 VanDerWaalsContact O-N 3.1Å
104W85.8Confident82.5Confident54 Ų5447.9 Ų47.921%0.20524%0.237CC..Hα-helixtrans-70.1-41.9179.3-177.583.9000113.3L72 Y74 P100 I101 L102 L112L72-W104 HydrophobicContact CB-CH2 4.17Å; L72-W104 HydrophobicContact CB-CZ3 4.33Å; Y74-W104 HydrophobicContact CD2-CB 4.29Å; Y74-W104 AromaticContact CD2-CD2 3.47Å; Y74-W104 HydrophobicContact CD2-CD2 3.47Å; Y74-W104 VanDerWaalsContact CD2-CD2 3.47Å; Y74-W104 AromaticContact CD2-CE2 3.94Å; Y74-W104 AromaticContact CD2-CE3 3.45Å; Y74-W104 HydrophobicContact CD2-CE3 3.45Å; Y74-W104 VanDerWaalsContact CD2-CE3 3.45Å; Y74-W104 AromaticContact CD2-CG 3.85Å; Y74-W104 HydrophobicContact CD2-CG 3.85Å; Y74-W104 HydrophobicContact CD2-CH2 4.32Å; Y74-W104 HydrophobicContact CD2-CZ2 4.35Å; Y74-W104 AromaticContact CD2-CZ3 3.9Å; Y74-W104 HydrophobicContact CD2-CZ3 3.9Å; Y74-W104 HydrophobicContact CE2-CB 3.83Å; Y74-W104 AromaticContact CE2-CD2 3.96Å; Y74-W104 HydrophobicContact CE2-CD2 3.96Å; Y74-W104 HydrophobicContact CE2-CE3 4.15Å; Y74-W104 AromaticContact CE2-CG 3.82Å; Y74-W104 HydrophobicContact CE2-CG 3.82Å; Y74-W104 HydrophobicContact CG-CE3 4.24Å; Y74-W104 HydrophobicContact CG-CZ3 4.3Å; P100-W104 WeakPolarHBondContact O-CB 3.33Å; P100-W104 PolarHBondContact O-N 3.2Å; P100-W104 VanDerWaalsContact O-N 3.08Å; I101-W104 PolarHBondContact O-N 3.23Å; L102-W104 VanDerWaalsContact C-N 3.34Å; L102-W104 PolarHBondContact O-N 3.38Å; W104-L112 HydrophobicContact CE3-CD1 4.17Å; W104-L112 HydrophobicContact CH2-CD1 4.42Å; W104-L112 HydrophobicContact CH2-CD2 3.46Å; W104-L112 VanDerWaalsContact CH2-CD2 3.46Å; W104-L112 HydrophobicContact CZ2-CD2 4.14Å; W104-L112 HydrophobicContact CZ3-CD1 3.96Å; W104-L112 HydrophobicContact CZ3-CD2 3.74Å
105L83.6Confident82.4Confident0 Ų052 Ų520%025%0.248CC..Hα-helixtrans-62.8-48.8176.7-67.1174.6000110.9L38 V41 L42 I45 L69 L72 I101 L102 Q107 R108 I109 L112L38-L105 HydrophobicContact CD1-CD1 3.6Å; V41-L105 HydrophobicContact CG1-CB 3.9Å; V41-L105 HydrophobicContact CG1-CD1 3.99Å; L42-L105 HydrophobicContact CD2-CD1 3.68Å; L42-L105 HydrophobicContact CD2-CD2 4.03Å; L42-L105 HydrophobicContact CG-CD1 4.1Å; I45-L105 HydrophobicContact CD1-CB 4.28Å; I45-L105 HydrophobicContact CD1-CD2 3.87Å; L69-L105 HydrophobicContact CD2-CD2 4.29Å; L72-L105 HydrophobicContact CD1-CD2 4.2Å; I101-L105 HydrophobicContact CG2-CD1 3.7Å; I101-L105 HydrophobicContact CG2-CG 4.11Å; I101-L105 VanDerWaalsContact O-CG 3.3Å; I101-L105 WeakPolarHBondContact O-CG 3.11Å; I101-L105 PolarHBondContact O-N 3.28Å; L102-L105 PolarHBondContact O-N 2.86Å; L105-Q107 VanDerWaalsContact C-N 3.32Å; L105-Q107 PolarHBondContact O-N 2.75Å; L105-R108 CarbonylContact O-C 3.58Å; L105-R108 PolarHBondContact O-N 3.48Å; L105-I109 VanDerWaalsContact O-CG1 3.3Å; L105-I109 WeakPolarHBondContact O-CG1 3.46Å; L105-I109 PolarHBondContact O-N 2.91Å; L105-I109 VanDerWaalsContact O-N 3.17Å; L105-L112 HydrophobicContact CB-CD1 4.46Å; L105-L112 HydrophobicContact CD2-CD1 3.84Å
106L82.9Confident82.5Confident5 Ų549 Ų493%0.02624%0.237CC..Hα-helixtrans-68.8-27.9-177.6-65.9171000113F7 I8 H11 L12 F17 V41 L102 R108 I109F7-L106 HydrophobicContact CE1-CB 4.31Å; I8-L106 HydrophobicContact CB-CD1 4.27Å; I8-L106 HydrophobicContact CG1-CD1 4.32Å; I8-L106 HydrophobicContact CG2-CD1 3.94Å; H11-L106 HydrophobicContact CB-CB 4.14Å; H11-L106 HydrophobicContact CB-CD1 4.23Å; H11-L106 HydrophobicContact CB-CD2 4.34Å; H11-L106 HydrophobicContact CB-CG 4.47Å; L12-L106 HydrophobicContact CD2-CD1 4.13Å; L12-L106 HydrophobicContact CD2-CD2 4.22Å; L12-L106 HydrophobicContact CG-CD1 4Å; F17-L106 HydrophobicContact CD2-CD2 4.33Å; F17-L106 HydrophobicContact CE2-CD2 3.78Å; V41-L106 HydrophobicContact CG1-CD2 4.14Å; V41-L106 HydrophobicContact CG2-CD2 4.16Å; L102-L106 VanDerWaalsContact O-CB 3.25Å; L102-L106 WeakPolarHBondContact O-CB 3.19Å; L102-L106 WeakPolarHBondContact O-CG 3.22Å; L102-L106 PolarHBondContact O-N 3.29Å; L106-R108 VanDerWaalsContact C-N 3.27Å; L106-R108 PolarHBondContact O-N 3.12Å; L106-I109 HydrophobicContact CD2-CD1 3.93Å
107Q85.3Confident82.6Confident110 Ų11049.8 Ų49.851%0.51423%0.228SC..Hα-helixtrans-67.6-25.7174.7-169.5-178.136.400113F7 H103 L105F7-Q107 HydrophobicContact CE1-CB 4.24Å; F7-Q107 HydrophobicContact CZ-CB 4.23Å; F7-Q107 HydrophobicContact CZ-CG 4.43Å; H103-Q107 WeakPolarHBondContact O-CB 3.34Å; H103-Q107 PolarHBondContact O-N 2.84Å; H103-Q107 VanDerWaalsContact O-N 3.1Å; L105-Q107 VanDerWaalsContact C-N 3.32Å; L105-Q107 PolarHBondContact O-N 2.75Å
108R82.8Confident82.7Confident105 Ų10551.3 Ų51.340%0.39624%0.235SC..SBendtrans-134.225.9-166.6-64.9178.9-178-118.26114.3L105 L106 T110 E111 L112L105-R108 CarbonylContact O-C 3.58Å; L105-R108 PolarHBondContact O-N 3.48Å; L106-R108 VanDerWaalsContact C-N 3.27Å; L106-R108 PolarHBondContact O-N 3.12Å; R108-T110 PolarHBondContact O-N 2.88Å; R108-T110 VanDerWaalsContact O-N 3.08Å; R108-E111 HydrophobicContact CB-CB 4.34Å; R108-E111 WeakPolarHBondContact CD-OE2 3.37Å; R108-E111 IonicContact CZ-OE2 3.28Å; R108-E111 IonicContact NE-OE2 3.01Å; R108-E111 IonicContact NH1-OE2 3.91Å; R108-E111 PolarHBondContact NH1-OE2 3.02Å; R108-E111 PolarHBondContact O-N 3.4Å; R108-L112 HydrophobicContact CB-CD1 3.95Å; R108-L112 HydrophobicContact CB-CG 4.02Å; R108-L112 WeakPolarHBondContact O-CB 3.25Å; R108-L112 VanDerWaalsContact O-CG 3.29Å; R108-L112 WeakPolarHBondContact O-CG 3.49Å; R108-L112 PolarHBondContact O-N 2.71Å
109I81.8Confident82.7Confident30 Ų3052.3 Ų52.315%0.15424%0.243CC..Hα-helixtrans-49-43.5-173.5-55.1170.9000112.3F17 I45 L105 L106 L112 K113F17-I109 HydrophobicContact CE2-CD1 4.08Å; I45-I109 HydrophobicContact CG1-CG2 4.5Å; L105-I109 VanDerWaalsContact O-CG1 3.3Å; L105-I109 WeakPolarHBondContact O-CG1 3.46Å; L105-I109 PolarHBondContact O-N 2.91Å; L105-I109 VanDerWaalsContact O-N 3.17Å; L106-I109 HydrophobicContact CD2-CD1 3.93Å; I109-L112 PolarHBondContact O-N 2.84Å; I109-K113 HydrophobicContact CG2-CD 4.11Å; I109-K113 HydrophobicContact CG2-CG 4.43Å; I109-K113 WeakPolarHBondContact O-CB 3.41Å; I109-K113 VanDerWaalsContact O-CG 3.3Å; I109-K113 WeakPolarHBondContact O-CG 3.48Å; I109-K113 PolarHBondContact O-N 3.44Å
110T80.8Confident82.4Confident104 Ų10459.4 Ų59.464%0.63827%0.269SS*.Hα-helixtrans-68.9-42-179.450.40000113.3R108 K114R108-T110 PolarHBondContact O-N 2.88Å; R108-T110 VanDerWaalsContact O-N 3.08Å; T110-K114 WeakPolarHBondContact O-CG 3.24Å; T110-K114 PolarHBondContact O-N 2.92Å
111E81.7Confident82.1Confident107 Ų10761.5 Ų61.550%0.528%0.275SS..Hα-helixtrans-64.6-41.1173.2-60.6-176.8168.500111.1R108 K114 R115R108-E111 HydrophobicContact CB-CB 4.34Å; R108-E111 WeakPolarHBondContact CD-OE2 3.37Å; R108-E111 IonicContact CZ-OE2 3.28Å; R108-E111 IonicContact NE-OE2 3.01Å; R108-E111 IonicContact NH1-OE2 3.91Å; R108-E111 PolarHBondContact NH1-OE2 3.02Å; R108-E111 PolarHBondContact O-N 3.4Å; E111-K114 PolarHBondContact O-N 3.5Å; E111-R115 WeakPolarHBondContact O-CB 3.46Å; E111-R115 PolarHBondContact O-N 3.32Å
112L82.4Confident82Confident5 Ų564.3 Ų64.33%0.02629%0.29CS..Hα-helixtrans-73-37.4-177-65.8170.8000112.2I45 L72 W104 L105 R108 I109 R115 A116I45-L112 HydrophobicContact CD1-CB 4.16Å; I45-L112 HydrophobicContact CD1-CD1 4.24Å; I45-L112 HydrophobicContact CG1-CB 4.48Å; I45-L112 HydrophobicContact CG2-CB 4.11Å; L72-L112 HydrophobicContact CB-CD2 4.3Å; L72-L112 HydrophobicContact CD2-CB 4.44Å; L72-L112 HydrophobicContact CD2-CD2 4.12Å; W104-L112 HydrophobicContact CE3-CD1 4.17Å; W104-L112 HydrophobicContact CH2-CD1 4.42Å; W104-L112 HydrophobicContact CH2-CD2 3.46Å; W104-L112 VanDerWaalsContact CH2-CD2 3.46Å; W104-L112 HydrophobicContact CZ2-CD2 4.14Å; W104-L112 HydrophobicContact CZ3-CD1 3.96Å; W104-L112 HydrophobicContact CZ3-CD2 3.74Å; L105-L112 HydrophobicContact CB-CD1 4.46Å; L105-L112 HydrophobicContact CD2-CD1 3.84Å; R108-L112 HydrophobicContact CB-CD1 3.95Å; R108-L112 HydrophobicContact CB-CG 4.02Å; R108-L112 WeakPolarHBondContact O-CB 3.25Å; R108-L112 VanDerWaalsContact O-CG 3.29Å; R108-L112 WeakPolarHBondContact O-CG 3.49Å; R108-L112 PolarHBondContact O-N 2.71Å; I109-L112 PolarHBondContact O-N 2.84Å; L112-R115 CarbonylContact O-C 3.55Å; L112-R115 PolarHBondContact O-N 3.41Å; L112-A116 WeakPolarHBondContact O-CB 3.29Å; L112-A116 PolarHBondContact O-N 2.99Å
113K82.3Confident81.8Confident76 Ų7668.6 Ų68.633%0.3332%0.316SS..Hα-helixtrans-57.4-49.1167.7-81.7176167.5-1770111.5E44 I109 R115 A116 Y117E44-K113 WeakPolarHBondContact O-CE 3.48Å; E44-K113 WeakPolarHBondContact OE1-CE 3.33Å; E44-K113 IonicContact OE1-NZ 3.89Å; E44-K113 PolarHBondContact OE1-NZ 3.25Å; I109-K113 HydrophobicContact CG2-CD 4.11Å; I109-K113 HydrophobicContact CG2-CG 4.43Å; I109-K113 WeakPolarHBondContact O-CB 3.41Å; I109-K113 VanDerWaalsContact O-CG 3.3Å; I109-K113 WeakPolarHBondContact O-CG 3.48Å; I109-K113 PolarHBondContact O-N 3.44Å; K113-R115 VanDerWaalsContact C-N 3.29Å; K113-R115 PolarHBondContact O-N 3.18Å; K113-A116 PolarHBondContact O-N 3.07Å; K113-Y117 WeakPolarHBondContact O-CB 3.31Å; K113-Y117 PolarHBondContact O-N 3.33Å
114K81.9Confident81.3Confident93 Ų9371.6 Ų71.640%0.40433%0.328SS..Hα-helixtrans-59.7-40.4174.2-72.2177.2-178.7-178.80111.4T110 E111 L118 E159T110-K114 WeakPolarHBondContact O-CG 3.24Å; T110-K114 PolarHBondContact O-N 2.92Å; E111-K114 PolarHBondContact O-N 3.5Å; K114-L118 WeakPolarHBondContact O-CB 3.46Å; K114-L118 VanDerWaalsContact O-CG 3.26Å; K114-L118 WeakPolarHBondContact O-CG 2.95Å; K114-L118 PolarHBondContact O-N 3.08Å; K114-E159 WeakPolarHBondContact CE-OE1 3.49Å; K114-E159 WeakPolarHBondContact CE-OE2 3.26Å; K114-E159 IonicContact NZ-OE1 2.72Å; K114-E159 IonicContact NZ-OE2 2.67Å; K114-E159 PolarHBondContact NZ-OE2 2.86Å
115R81.8Confident80.8Confident114 Ų11474.8 Ų74.843%0.4335%0.349SS..Hα-helixtrans-67.6-42.2178.7-169.2175-167.6121.822.7113.2L72 K73 E111 L112 K113 L118 A119L72-R115 HydrophobicContact CD2-CB 4.34Å; L72-R115 HydrophobicContact CD2-CG 4.38Å; L72-R115 WeakPolarHBondContact O-CD 3.49Å; L72-R115 PolarHBondContact O-NE 2.85Å; K73-R115 VanDerWaalsContact CG-NH2 3.27Å; E111-R115 WeakPolarHBondContact O-CB 3.46Å; E111-R115 PolarHBondContact O-N 3.32Å; L112-R115 CarbonylContact O-C 3.55Å; L112-R115 PolarHBondContact O-N 3.41Å; K113-R115 VanDerWaalsContact C-N 3.29Å; K113-R115 PolarHBondContact O-N 3.18Å; R115-L118 PolarHBondContact O-N 3Å; R115-A119 VanDerWaalsContact O-CB 3.3Å; R115-A119 WeakPolarHBondContact O-CB 3.5Å; R115-A119 PolarHBondContact O-N 3.17Å
116A81.3Confident80.1Confident12 Ų1284 Ų8410%0.09939%0.392CS..Hα-helixtrans-64.5-44.5175.300000111.1I45 D46 L72 L112 K113 L118 A119 R120I45-A116 HydrophobicContact CG2-CB 3.98Å; D46-A116 HydrophobicContact CB-CB 4.26Å; L72-A116 HydrophobicContact CD2-CB 4.29Å; L112-A116 WeakPolarHBondContact O-CB 3.29Å; L112-A116 PolarHBondContact O-N 2.99Å; K113-A116 PolarHBondContact O-N 3.07Å; A116-L118 PolarHBondContact O-N 3.23Å; A116-A119 PolarHBondContact O-N 2.82Å; A116-R120 PolarHBondContact O-N 2.96Å
117Y83Confident79.7Confident123 Ų12386 Ų8648%0.48240%0.404SS..Hα-helixtrans-57.1-49.1172.6178.8-98.2000112K113 R120 F121 F151 H155K113-Y117 WeakPolarHBondContact O-CB 3.31Å; K113-Y117 PolarHBondContact O-N 3.33Å; Y117-R120 WeakPolarHBondContact O-CB 3.49Å; Y117-R120 PolarHBondContact O-N 3.19Å; Y117-F121 HydrophobicContact CD2-CE2 4.26Å; Y117-F121 HydrophobicContact CE1-CD2 4.46Å; Y117-F121 HydrophobicContact CE1-CE2 4.26Å; Y117-F121 AromaticContact CE2-CE2 3.79Å; Y117-F121 HydrophobicContact CE2-CE2 3.79Å; Y117-F121 AromaticContact CZ-CE2 3.78Å; Y117-F121 VanDerWaalsContact O-CD2 3.26Å; Y117-F121 WeakPolarHBondContact O-CD2 3.4Å; Y117-F151 HydrophobicContact CE1-CZ 4.18Å; Y117-H155 AromaticContact CD1-NE2 3.97Å; Y117-H155 AromaticContact CE1-NE2 3.86Å
118L82.6Confident79.3Confident44 Ų4484.3 Ų84.323%0.2340%0.403CS..Hα-helixtrans-66.4-36.4177.5-73.4174.7000112.8K114 R115 A116 R120 F121 L122 F151K114-L118 WeakPolarHBondContact O-CB 3.46Å; K114-L118 VanDerWaalsContact O-CG 3.26Å; K114-L118 WeakPolarHBondContact O-CG 2.95Å; K114-L118 PolarHBondContact O-N 3.08Å; R115-L118 PolarHBondContact O-N 3Å; A116-L118 PolarHBondContact O-N 3.23Å; L118-R120 PolarHBondContact O-N 3.4Å; L118-F121 PolarHBondContact O-N 3.13Å; L118-L122 HydrophobicContact CB-CD1 4.07Å; L118-L122 HydrophobicContact CB-CG 4.49Å; L118-L122 HydrophobicContact CD2-CD1 4.19Å; L118-L122 WeakPolarHBondContact O-CB 3.44Å; L118-L122 WeakPolarHBondContact O-CG 3.5Å; L118-L122 PolarHBondContact O-N 2.94Å; L118-F151 HydrophobicContact CD2-CE1 3.79Å; L118-F151 HydrophobicContact CD2-CZ 4.23Å
119A80.1Confident78.7Confident21 Ų2183 Ų8317%0.17441%0.414CS..Hα-helixtrans-60-33.2178.600000112.3R115 A116 F121 V123R115-A119 VanDerWaalsContact O-CB 3.3Å; R115-A119 WeakPolarHBondContact O-CB 3.5Å; R115-A119 PolarHBondContact O-N 3.17Å; A116-A119 PolarHBondContact O-N 2.82Å; A119-F121 PolarHBondContact O-N 3.48Å; A119-V123 HydrophobicContact CB-CG2 4.33Å; A119-V123 WeakPolarHBondContact O-CB 3.49Å; A119-V123 VanDerWaalsContact O-CG2 3.24Å; A119-V123 WeakPolarHBondContact O-CG2 3.46Å; A119-V123 PolarHBondContact O-N 3.19Å
120R78.2Confident78.3Confident171 Ų17188.9 Ų88.965%0.64544%0.441SS*.Hα-helixtrans-58.4-28.5173.9179.8178174.5166.9-1.8113.7A116 Y117 L118A116-R120 PolarHBondContact O-N 2.96Å; Y117-R120 WeakPolarHBondContact O-CB 3.49Å; Y117-R120 PolarHBondContact O-N 3.19Å; L118-R120 PolarHBondContact O-N 3.4Å
121F78.9Confident77.6Confident74 Ų7489.6 Ų89.633%0.32544%0.436SS..Hα-helixtrans-115.5-17.8-173.6-57.6-72.2000113.9Y117 L118 A119 F151Y117-F121 HydrophobicContact CD2-CE2 4.26Å; Y117-F121 HydrophobicContact CE1-CD2 4.46Å; Y117-F121 HydrophobicContact CE1-CE2 4.26Å; Y117-F121 AromaticContact CE2-CE2 3.79Å; Y117-F121 HydrophobicContact CE2-CE2 3.79Å; Y117-F121 AromaticContact CZ-CE2 3.78Å; Y117-F121 VanDerWaalsContact O-CD2 3.26Å; Y117-F121 WeakPolarHBondContact O-CD2 3.4Å; L118-F121 PolarHBondContact O-N 3.13Å; A119-F121 PolarHBondContact O-N 3.48Å; F121-F151 HydrophobicContact CB-CD1 4.22Å; F121-F151 HydrophobicContact CB-CE1 3.76Å; F121-F151 HydrophobicContact CB-CZ 4.16Å; F121-F151 HydrophobicContact CD2-CE1 4.32Å; F121-F151 AromaticContact CD2-CZ 3.93Å; F121-F151 HydrophobicContact CD2-CZ 3.93Å; F121-F151 HydrophobicContact CG-CE1 4.3Å; F121-F151 HydrophobicContact CG-CZ 4.19Å
122L78.4Confident76.9Confident60 Ų6087.5 Ų87.531%0.31443%0.427SS..Hα-helixtrans-107.6-10.8-177-60.8-173.4000114.4L118 K124 V148 F151 K152L118-L122 HydrophobicContact CB-CD1 4.07Å; L118-L122 HydrophobicContact CB-CG 4.49Å; L118-L122 HydrophobicContact CD2-CD1 4.19Å; L118-L122 WeakPolarHBondContact O-CB 3.44Å; L118-L122 WeakPolarHBondContact O-CG 3.5Å; L118-L122 PolarHBondContact O-N 2.94Å; L122-K124 PolarHBondContact O-N 2.81Å; L122-V148 HydrophobicContact CD2-CG1 3.89Å; L122-F151 HydrophobicContact CD2-CD1 4.02Å; L122-F151 HydrophobicContact CD2-CE1 4.38Å; L122-K152 HydrophobicContact CD2-CG 3.82Å
123V78.7Confident76.3Confident89 Ų8995 Ų9554%0.53946%0.462SS..SBendtrans-74.4110.4167.9173.10000107.4A119A119-V123 HydrophobicContact CB-CG2 4.33Å; A119-V123 WeakPolarHBondContact O-CB 3.49Å; A119-V123 VanDerWaalsContact O-CG2 3.24Å; A119-V123 WeakPolarHBondContact O-CG2 3.46Å; A119-V123 PolarHBondContact O-N 3.19Å
124K73.4Confident76.2Confident106 Ų10695.1 Ų95.146%0.46147%0.467SS..  trans-61.3142.8177.7-65.2-170.7174.2-169.30110.2L122 E126 E145L122-K124 PolarHBondContact O-N 2.81Å; K124-E126 PolarHBondContact O-N 3.15Å; K124-E145 WeakPolarHBondContact CE-OE1 3.44Å; K124-E145 VanDerWaalsContact NZ-CD 3.33Å; K124-E145 IonicContact NZ-OE1 2.68Å; K124-E145 PolarHBondContact NZ-OE1 2.89Å; K124-E145 IonicContact NZ-OE2 2.76Å
125L75.3Confident76Confident121 Ų12196.9 Ų96.963%0.63448%0.48SS*.  trans-70.8117.3164.8-72.8154.5000107.9V127L125-V127 PolarHBondContact O-N 2.98Å
126E68.9Low76Confident194 Ų19496.1 Ų96.191%0.90749%0.488SS*.  trans-73.292.8174.6-70-176.9168.900109.4K124K124-E126 PolarHBondContact O-N 3.15Å
127V73.7Confident76Confident48 Ų4898.4 Ų98.429%0.29150%0.498SS..  trans-77.4122.6171.1-176.50000108.3L125 F131 L132 I137 Y141L125-V127 PolarHBondContact O-N 2.98Å; V127-F131 HydrophobicContact CG1-CB 4.04Å; V127-L132 HydrophobicContact CB-CD1 4.22Å; V127-L132 HydrophobicContact CB-CG 4.38Å; V127-L132 HydrophobicContact CG1-CD1 4.27Å; V127-L132 HydrophobicContact CG1-CG 3.97Å; V127-I137 HydrophobicContact CG1-CG2 4.49Å; V127-Y141 HydrophobicContact CG2-CD2 3.85Å; V127-Y141 HydrophobicContact CG2-CE2 4Å
128P78Confident76Confident73 Ų7394.1 Ų94.147%0.47449%0.485SS..  trans-62143.2178.2-21.432.5000111.7E130 F131P128-E130 PolarHBondContact O-N 2.92Å; P128-F131 HydrophobicContact CB-CD2 4.14Å; P128-F131 HydrophobicContact CG-CD2 4.19Å; P128-F131 PolarHBondContact O-N 2.84Å
129A69.4Low76Confident78 Ų7896.8 Ų96.865%0.64550%0.5SS*.THydrogen-bonded Turntrans-59.6-16.5-17600000114.6
130E72.7Confident76.3Confident153 Ų15399.7 Ų99.772%0.71552%0.515SS*.THydrogen-bonded Turntrans-70-32.9174.1-64.1170-175.500112.5P128P128-E130 PolarHBondContact O-N 2.92Å
131F67.8Low76.5Confident120 Ų12093.7 Ų93.753%0.52649%0.493SS..G310 helixtrans-89.4-15.5178.4-65.7-81.6000113.1V127 P128 Q133 I137V127-F131 HydrophobicContact CG1-CB 4.04Å; P128-F131 HydrophobicContact CB-CD2 4.14Å; P128-F131 HydrophobicContact CG-CD2 4.19Å; P128-F131 PolarHBondContact O-N 2.84Å; F131-Q133 PolarHBondContact O-N 3.39Å; F131-I137 HydrophobicContact CB-CD1 4.39Å
132L66.2Low76.8Confident62 Ų6295.1 Ų95.133%0.32550%0.5SS..G310 helixtrans-80.513.9172.8-76.7157.1000113.1V127 T138 Y141V127-L132 HydrophobicContact CB-CD1 4.22Å; V127-L132 HydrophobicContact CB-CG 4.38Å; V127-L132 HydrophobicContact CG1-CD1 4.27Å; V127-L132 HydrophobicContact CG1-CG 3.97Å; L132-T138 PolarHBondContact O-OG1 3.35Å; L132-Y141 HydrophobicContact CD2-CD1 4.38Å; L132-Y141 HydrophobicContact CD2-CG 4.36Å
133Q69.4Low77.2Confident162 Ų16297.8 Ų97.876%0.75751%0.511SS*.G310 helixtrans-94.6-10.5170.5-62-175.88.400112.7F131F131-Q133 PolarHBondContact O-N 3.39Å
134D80.7Confident77.5Confident80 Ų8096.8 Ų96.843%0.42850%0.498SS..SBendtrans-88.5122.5172.7-173.1-27.2000109V136 I137 T138D134-V136 PolarHBondContact O-N 3.3Å; D134-V136 WeakPolarHBondContact OD1-CB 3.26Å; D134-V136 PolarHBondContact OD1-N 2.92Å; D134-I137 HydrophobicContact CB-CB 4.15Å; D134-I137 HydrophobicContact CB-CD1 3.93Å; D134-I137 HydrophobicContact CB-CG1 3.93Å; D134-I137 PolarHBondContact O-N 3.44Å; D134-T138 PolarHBondContact O-N 2.93Å; D134-T138 PolarHBondContact O-OG1 3.19Å
135D76.8Confident78Confident129 Ų12994.2 Ų94.269%0.6949%0.488SS*.Hα-helixtrans-57.1-37.3-179.6-65.8-33.3000111.5I137 T138 D139D135-I137 PolarHBondContact O-N 3.38Å; D135-T138 PolarHBondContact O-N 3Å; D135-D139 PolarHBondContact O-N 3.32Å
136V82.6Confident78.6Confident98 Ų9895.3 Ų95.359%0.59449%0.49SS*.Hα-helixtrans-68.8-38.5-178.7-1770000111.4D134 T138 T140D134-V136 PolarHBondContact O-N 3.3Å; D134-V136 WeakPolarHBondContact OD1-CB 3.26Å; D134-V136 PolarHBondContact OD1-N 2.92Å; V136-T138 VanDerWaalsContact C-N 3.34Å; V136-T140 WeakPolarHBondContact O-CB 3.45Å; V136-T140 PolarHBondContact O-N 3.42Å; V136-T140 VanDerWaalsContact O-N 3.08Å; V136-T140 PolarHBondContact O-OG1 3.39Å
137I81.8Confident79.5Confident60 Ų6092.4 Ų92.431%0.30848%0.48SS..Hα-helixtrans-69.5-38.3176.6-61.7-178.1000109.8V127 F131 D134 D135 T140 Y141V127-I137 HydrophobicContact CG1-CG2 4.49Å; F131-I137 HydrophobicContact CB-CD1 4.39Å; D134-I137 HydrophobicContact CB-CB 4.15Å; D134-I137 HydrophobicContact CB-CD1 3.93Å; D134-I137 HydrophobicContact CB-CG1 3.93Å; D134-I137 PolarHBondContact O-N 3.44Å; D135-I137 PolarHBondContact O-N 3.38Å; I137-T140 PolarHBondContact O-N 3.33Å; I137-Y141 VanDerWaalsContact O-CB 3.23Å; I137-Y141 WeakPolarHBondContact O-CB 3.26Å; I137-Y141 PolarHBondContact O-N 3.04Å
138T81.6Confident80.1Confident33 Ų3390.9 Ų90.920%0.20247%0.471CS..Hα-helixtrans-66.4-48.2178.9-55.70000111.8L132 D134 D135 V136 T140 Y141 H142L132-T138 PolarHBondContact O-OG1 3.35Å; D134-T138 PolarHBondContact O-N 2.93Å; D134-T138 PolarHBondContact O-OG1 3.19Å; D135-T138 PolarHBondContact O-N 3Å; V136-T138 VanDerWaalsContact C-N 3.34Å; T138-T140 PolarHBondContact O-N 3.5Å; T138-Y141 PolarHBondContact O-N 2.88Å; T138-H142 PolarHBondContact O-CD2 3.38Å; T138-H142 VanDerWaalsContact O-CD2 3.27Å; T138-H142 PolarHBondContact O-N 2.94Å
139D84.4Confident80.5Confident101 Ų10193 Ų9354%0.5447%0.474SS..Hα-helixtrans-60.6-43.2174.6-80.7-11.6000112D135 Y141 H142 Q143D135-D139 PolarHBondContact O-N 3.32Å; D139-Y141 VanDerWaalsContact C-N 3.32Å; D139-Y141 PolarHBondContact O-N 3.1Å; D139-H142 PolarHBondContact O-N 2.95Å; D139-Q143 WeakPolarHBondContact O-CG 3.38Å; D139-Q143 PolarHBondContact O-N 3.39Å
140T84.6Confident81.3Confident82 Ų8290.4 Ų90.450%0.50345%0.454SS..Hα-helixtrans-64.9-37.5177.1-55.70000111.5V136 I137 T138 Q143 Y144V136-T140 WeakPolarHBondContact O-CB 3.45Å; V136-T140 PolarHBondContact O-N 3.42Å; V136-T140 VanDerWaalsContact O-N 3.08Å; V136-T140 PolarHBondContact O-OG1 3.39Å; I137-T140 PolarHBondContact O-N 3.33Å; T138-T140 PolarHBondContact O-N 3.5Å; T140-Q143 PolarHBondContact O-N 3.18Å; T140-Y144 WeakPolarHBondContact O-CB 3.43Å; T140-Y144 PolarHBondContact O-N 3.43Å
141Y84.1Confident82.1Confident45 Ų4585.9 Ų85.918%0.17643%0.432CS..Hα-helixtrans-69.1-38.1176.3-174.3-92.7000111.7V127 L132 I137 T138 D139 Y144 E145V127-Y141 HydrophobicContact CG2-CD2 3.85Å; V127-Y141 HydrophobicContact CG2-CE2 4Å; L132-Y141 HydrophobicContact CD2-CD1 4.38Å; L132-Y141 HydrophobicContact CD2-CG 4.36Å; I137-Y141 VanDerWaalsContact O-CB 3.23Å; I137-Y141 WeakPolarHBondContact O-CB 3.26Å; I137-Y141 PolarHBondContact O-N 3.04Å; T138-Y141 PolarHBondContact O-N 2.88Å; D139-Y141 VanDerWaalsContact C-N 3.32Å; D139-Y141 PolarHBondContact O-N 3.1Å; Y141-Y144 HydrophobicContact CD2-CD1 4.48Å; Y141-Y144 HydrophobicContact CE2-CD1 4.39Å; Y141-Y144 WeakPolarHBondContact O-CB 3.34Å; Y141-Y144 PolarHBondContact O-N 2.96Å; Y141-E145 HydrophobicContact CD1-CG 4.27Å; Y141-E145 VanDerWaalsContact CE1-CD 3.47Å; Y141-E145 HydrophobicContact CE1-CG 3.82Å; Y141-E145 WeakPolarHBondContact CE1-OE1 3.33Å; Y141-E145 VanDerWaalsContact CZ-OE1 3.24Å; Y141-E145 WeakPolarHBondContact O-CG 3.32Å; Y141-E145 PolarHBondContact O-N 3.2Å; Y141-E145 PolarHBondContact OH-OE1 3.25Å
142H84.8Confident83Confident103 Ų10383.3 Ų83.348%0.47742%0.421SS..Hα-helixtrans-62.3-46.4171.5-79-55.5000112.6T138 D139 Y144 E145 E146T138-H142 PolarHBondContact O-CD2 3.38Å; T138-H142 VanDerWaalsContact O-CD2 3.27Å; T138-H142 PolarHBondContact O-N 2.94Å; D139-H142 PolarHBondContact O-N 2.95Å; H142-Y144 VanDerWaalsContact C-N 3.27Å; H142-Y144 PolarHBondContact O-N 2.75Å; H142-E145 PolarHBondContact O-N 2.85Å; H142-E145 VanDerWaalsContact O-N 3.08Å; H142-E146 PolarHBondContact O-N 3.39Å
143Q85.3Confident84Confident116 Ų11683.8 Ų83.854%0.54243%0.427SS..Hα-helixtrans-59.5-37.7174.3-69.417424.100112D139 T140 L147D139-Q143 WeakPolarHBondContact O-CG 3.38Å; D139-Q143 PolarHBondContact O-N 3.39Å; T140-Q143 PolarHBondContact O-N 3.18Å; Q143-L147 WeakPolarHBondContact O-CB 3.09Å; Q143-L147 VanDerWaalsContact O-CG 3.29Å; Q143-L147 WeakPolarHBondContact O-CG 2.9Å; Q143-L147 PolarHBondContact O-N 3.2Å
144Y85.6Confident84.8Confident69 Ų6983.5 Ų83.527%0.27142%0.42SS..Hα-helixtrans-63.5-42.9172.7168.2-102.2000112.3T140 Y141 H142 L147 V148T140-Y144 WeakPolarHBondContact O-CB 3.43Å; T140-Y144 PolarHBondContact O-N 3.43Å; Y141-Y144 HydrophobicContact CD2-CD1 4.48Å; Y141-Y144 HydrophobicContact CE2-CD1 4.39Å; Y141-Y144 WeakPolarHBondContact O-CB 3.34Å; Y141-Y144 PolarHBondContact O-N 2.96Å; H142-Y144 VanDerWaalsContact C-N 3.27Å; H142-Y144 PolarHBondContact O-N 2.75Å; Y144-L147 PolarHBondContact O-N 3.26Å; Y144-V148 HydrophobicContact CD2-CG2 4.24Å; Y144-V148 HydrophobicContact CE1-CG2 4.2Å; Y144-V148 HydrophobicContact CE2-CG2 3.8Å; Y144-V148 WeakPolarHBondContact O-CB 3.42Å; Y144-V148 VanDerWaalsContact O-CG2 3.29Å; Y144-V148 WeakPolarHBondContact O-CG2 3.16Å; Y144-V148 PolarHBondContact O-N 3.27Å
145E84.3Confident85.2Confident52 Ų5281.5 Ų81.524%0.24341%0.408CS..Hα-helixtrans-64.8-41.9176.4-66.8-156.1157.500112.3K124 Y141 H142 V148 E149K124-E145 WeakPolarHBondContact CE-OE1 3.44Å; K124-E145 VanDerWaalsContact NZ-CD 3.33Å; K124-E145 IonicContact NZ-OE1 2.68Å; K124-E145 PolarHBondContact NZ-OE1 2.89Å; K124-E145 IonicContact NZ-OE2 2.76Å; Y141-E145 HydrophobicContact CD1-CG 4.27Å; Y141-E145 VanDerWaalsContact CE1-CD 3.47Å; Y141-E145 HydrophobicContact CE1-CG 3.82Å; Y141-E145 WeakPolarHBondContact CE1-OE1 3.33Å; Y141-E145 VanDerWaalsContact CZ-OE1 3.24Å; Y141-E145 WeakPolarHBondContact O-CG 3.32Å; Y141-E145 PolarHBondContact O-N 3.2Å; Y141-E145 PolarHBondContact OH-OE1 3.25Å; H142-E145 PolarHBondContact O-N 2.85Å; H142-E145 VanDerWaalsContact O-N 3.08Å; E145-V148 PolarHBondContact O-N 3.06Å; E145-E149 WeakPolarHBondContact O-CG 3.46Å; E145-E149 PolarHBondContact O-N 3.42Å
146E87.2Confident85.6Confident144 Ų14482.5 Ų82.567%0.67341%0.406SS*.Hα-helixtrans-60.2-44.5174.1-71.1-174.4168.200112.3H142 V148 E149 G150H142-E146 PolarHBondContact O-N 3.39Å; E146-V148 VanDerWaalsContact C-N 3.32Å; E146-V148 PolarHBondContact O-N 2.9Å; E146-E149 WeakPolarHBondContact O-CB 3.24Å; E146-E149 PolarHBondContact O-N 3.37Å; E146-E149 VanDerWaalsContact O-N 3.17Å; E146-G150 PolarHBondContact O-N 3.48Å
147L87.6Confident85.7Confident133 Ų13382.8 Ų82.870%0.69640%0.401SS*.Hα-helixtrans-64.4-36.3176-73.1171.1000112.2Q143 Y144 E149 F151Q143-L147 WeakPolarHBondContact O-CB 3.09Å; Q143-L147 VanDerWaalsContact O-CG 3.29Å; Q143-L147 WeakPolarHBondContact O-CG 2.9Å; Q143-L147 PolarHBondContact O-N 3.2Å; Y144-L147 PolarHBondContact O-N 3.26Å; L147-E149 VanDerWaalsContact C-N 3.35Å; L147-F151 WeakPolarHBondContact O-CB 3.13Å; L147-F151 PolarHBondContact O-N 2.83Å
148V87Confident85.8Confident16 Ų1683.2 Ų83.210%0.09741%0.408CS..Hα-helixtrans-68.1-34.1173.6167.40000111.5L122 Y144 E145 E146 K152L122-V148 HydrophobicContact CD2-CG1 3.89Å; Y144-V148 HydrophobicContact CD2-CG2 4.24Å; Y144-V148 HydrophobicContact CE1-CG2 4.2Å; Y144-V148 HydrophobicContact CE2-CG2 3.8Å; Y144-V148 WeakPolarHBondContact O-CB 3.42Å; Y144-V148 VanDerWaalsContact O-CG2 3.29Å; Y144-V148 WeakPolarHBondContact O-CG2 3.16Å; Y144-V148 PolarHBondContact O-N 3.27Å; E145-V148 PolarHBondContact O-N 3.06Å; E146-V148 VanDerWaalsContact C-N 3.32Å; E146-V148 PolarHBondContact O-N 2.9Å; V148-K152 WeakPolarHBondContact O-CG 3.39Å; V148-K152 PolarHBondContact O-N 3.09Å
149E85.7Confident85.8Confident118 Ų11884 Ų8455%0.55141%0.41SS*.Hα-helixtrans-68.3-47.2173.1-61.6-107110.100111.6E145 E146 L147 F151 K152 T153E145-E149 WeakPolarHBondContact O-CG 3.46Å; E145-E149 PolarHBondContact O-N 3.42Å; E146-E149 WeakPolarHBondContact O-CB 3.24Å; E146-E149 PolarHBondContact O-N 3.37Å; E146-E149 VanDerWaalsContact O-N 3.17Å; L147-E149 VanDerWaalsContact C-N 3.35Å; E149-F151 VanDerWaalsContact C-N 3.31Å; E149-F151 PolarHBondContact O-N 2.82Å; E149-K152 WeakPolarHBondContact O-CB 3.47Å; E149-K152 PolarHBondContact O-N 2.97Å; E149-K152 IonicContact OE1-NZ 3.41Å; E149-K152 PolarHBondContact OE1-NZ 2.92Å; E149-T153 PolarHBondContact O-N 2.91Å
150G87.3Confident85.7Confident22 Ų2285.7 Ų85.723%0.22741%0.414CS..Hα-helixtrans-59.8-38.617400000112.8E146 K152 T153 Y154E146-G150 PolarHBondContact O-N 3.48Å; G150-K152 VanDerWaalsContact C-N 3.31Å; G150-K152 PolarHBondContact O-N 2.85Å; G150-T153 PolarHBondContact O-N 3.38Å; G150-T153 PolarHBondContact O-OG1 3.27Å; G150-Y154 WeakPolarHBondContact O-CD2 3.41Å; G150-Y154 PolarHBondContact O-N 2.75Å; G150-Y154 VanDerWaalsContact O-N 3.09Å
151F89.1Confident85.4Confident58 Ų5888.1 Ų88.125%0.25442%0.423SS..Hα-helixtrans-60.8-38.5172.6176.7-103000112.4Y117 L118 F121 L122 L147 E149 H155Y117-F151 HydrophobicContact CE1-CZ 4.18Å; L118-F151 HydrophobicContact CD2-CE1 3.79Å; L118-F151 HydrophobicContact CD2-CZ 4.23Å; F121-F151 HydrophobicContact CB-CD1 4.22Å; F121-F151 HydrophobicContact CB-CE1 3.76Å; F121-F151 HydrophobicContact CB-CZ 4.16Å; F121-F151 HydrophobicContact CD2-CE1 4.32Å; F121-F151 AromaticContact CD2-CZ 3.93Å; F121-F151 HydrophobicContact CD2-CZ 3.93Å; F121-F151 HydrophobicContact CG-CE1 4.3Å; F121-F151 HydrophobicContact CG-CZ 4.19Å; L122-F151 HydrophobicContact CD2-CD1 4.02Å; L122-F151 HydrophobicContact CD2-CE1 4.38Å; L147-F151 WeakPolarHBondContact O-CB 3.13Å; L147-F151 PolarHBondContact O-N 2.83Å; E149-F151 VanDerWaalsContact C-N 3.31Å; E149-F151 PolarHBondContact O-N 2.82Å; F151-H155 AromaticContact CZ-CD2 3.95Å; F151-H155 WeakPolarHBondContact O-CB 3.14Å; F151-H155 PolarHBondContact O-N 3.42Å
152K86.7Confident85.1Confident67 Ų6793.6 Ų93.629%0.29145%0.448SS..Hα-helixtrans-64.9-38.2176.6-65162.3-162.7153.80112.1L122 V148 E149 G150 K156L122-K152 HydrophobicContact CD2-CG 3.82Å; V148-K152 WeakPolarHBondContact O-CG 3.39Å; V148-K152 PolarHBondContact O-N 3.09Å; E149-K152 WeakPolarHBondContact O-CB 3.47Å; E149-K152 PolarHBondContact O-N 2.97Å; E149-K152 IonicContact OE1-NZ 3.41Å; E149-K152 PolarHBondContact OE1-NZ 2.92Å; G150-K152 VanDerWaalsContact C-N 3.31Å; G150-K152 PolarHBondContact O-N 2.85Å; K152-K156 VanDerWaalsContact O-CG 3.24Å; K152-K156 WeakPolarHBondContact O-CG 3.39Å; K152-K156 PolarHBondContact O-N 2.67Å
153T87.3Confident84.5Confident71 Ų7193 Ų9344%0.43646%0.455SS..Hα-helixtrans-70.9-54.318054.20000110.6E149 G150 H155 K156 E157E149-T153 PolarHBondContact O-N 2.91Å; G150-T153 PolarHBondContact O-N 3.38Å; G150-T153 PolarHBondContact O-OG1 3.27Å; T153-H155 VanDerWaalsContact C-N 3.29Å; T153-H155 PolarHBondContact O-N 3.14Å; T153-K156 WeakPolarHBondContact O-CB 3.1Å; T153-K156 PolarHBondContact O-N 2.95Å; T153-E157 PolarHBondContact O-N 3.02Å
154Y87.4Confident83.9Confident156 Ų15691 Ų9161%0.61245%0.454SS*.Hα-helixtrans-59.4-37.3178.5-67-55.3000112.9G150 E157 C158G150-Y154 WeakPolarHBondContact O-CD2 3.41Å; G150-Y154 PolarHBondContact O-N 2.75Å; G150-Y154 VanDerWaalsContact O-N 3.09Å; Y154-E157 PolarHBondContact O-N 3.48Å; Y154-C158 WeakPolarHBondContact O-CB 3.41Å; Y154-C158 PolarHBondContact O-N 2.99Å; Y154-C158 PolarHBondContact O-SG 3.41Å
155H87.3Confident82.8Confident38 Ų3890.7 Ų90.718%0.17647%0.472CS..Hα-helixtrans-67.3-37175.7-170.8-62.3000112.4Y117 F151 T153 E159Y117-H155 AromaticContact CD1-NE2 3.97Å; Y117-H155 AromaticContact CE1-NE2 3.86Å; F151-H155 AromaticContact CZ-CD2 3.95Å; F151-H155 WeakPolarHBondContact O-CB 3.14Å; F151-H155 PolarHBondContact O-N 3.42Å; T153-H155 VanDerWaalsContact C-N 3.29Å; T153-H155 PolarHBondContact O-N 3.14Å; H155-E159 WeakPolarHBondContact O-CB 2.96Å; H155-E159 WeakPolarHBondContact O-CG 3.25Å; H155-E159 PolarHBondContact O-N 2.87Å
156K86.1Confident81.7Confident151 Ų15196.3 Ų96.366%0.65750%0.496SS*.Hα-helixtrans-65.1-45.2175.1-77.4170.8-179.3179.20111.3K152 T153 E159 Q160K152-K156 VanDerWaalsContact O-CG 3.24Å; K152-K156 WeakPolarHBondContact O-CG 3.39Å; K152-K156 PolarHBondContact O-N 2.67Å; T153-K156 WeakPolarHBondContact O-CB 3.1Å; T153-K156 PolarHBondContact O-N 2.95Å; K156-E159 PolarHBondContact O-N 3.39Å; K156-Q160 WeakPolarHBondContact O-CB 3.28Å; K156-Q160 PolarHBondContact O-N 2.9Å
157E85.4Confident80.7Confident104 Ų10492 Ų9249%0.48648%0.482SS..Hα-helixtrans-61.9-46.3177-69170.5-173.300111.5T153 Y154 E159 Q160 L161T153-E157 PolarHBondContact O-N 3.02Å; Y154-E157 PolarHBondContact O-N 3.48Å; E157-E159 VanDerWaalsContact C-N 3.33Å; E157-E159 PolarHBondContact O-N 3.47Å; E157-Q160 PolarHBondContact O-N 3.49Å; E157-L161 WeakPolarHBondContact O-CG 3.42Å; E157-L161 PolarHBondContact O-N 2.96Å
158C83.3Confident80.1Confident69 Ų6989.7 Ų89.747%0.46647%0.473SS..Hα-helixtrans-60.7-38.6175.7-72.80000113Y154 K162Y154-C158 WeakPolarHBondContact O-CB 3.41Å; Y154-C158 PolarHBondContact O-N 2.99Å; Y154-C158 PolarHBondContact O-SG 3.41Å; C158-K162 WeakPolarHBondContact O-CB 3.34Å; C158-K162 VanDerWaalsContact O-CG 3.28Å; C158-K162 WeakPolarHBondContact O-CG 3.49Å; C158-K162 PolarHBondContact O-N 3.48Å
159E82.2Confident79.8Confident49 Ų4991.7 Ų91.723%0.22949%0.492CS..Hα-helixtrans-69.6-40.3175-82.9-73.6135.700112K114 H155 K156 E157 L161 K162 S163K114-E159 WeakPolarHBondContact CE-OE1 3.49Å; K114-E159 WeakPolarHBondContact CE-OE2 3.26Å; K114-E159 IonicContact NZ-OE1 2.72Å; K114-E159 IonicContact NZ-OE2 2.67Å; K114-E159 PolarHBondContact NZ-OE2 2.86Å; H155-E159 WeakPolarHBondContact O-CB 2.96Å; H155-E159 WeakPolarHBondContact O-CG 3.25Å; H155-E159 PolarHBondContact O-N 2.87Å; K156-E159 PolarHBondContact O-N 3.39Å; E157-E159 VanDerWaalsContact C-N 3.33Å; E157-E159 PolarHBondContact O-N 3.47Å; E159-L161 PolarHBondContact O-N 3.49Å; E159-K162 PolarHBondContact O-N 3.48Å; E159-S163 WeakPolarHBondContact O-CB 3.42Å; E159-S163 PolarHBondContact O-N 3.32Å; E159-S163 PolarHBondContact O-OG 3.45Å
160Q82.1Confident79.6Confident137 Ų13792.1 Ų92.164%0.6449%0.494SS*.Hα-helixtrans-61.7-44.2176-172.6172.4-5.100111.2K156 E157 K162 S163 S164K156-Q160 WeakPolarHBondContact O-CB 3.28Å; K156-Q160 PolarHBondContact O-N 2.9Å; E157-Q160 PolarHBondContact O-N 3.49Å; Q160-K162 VanDerWaalsContact C-N 3.33Å; Q160-K162 PolarHBondContact O-N 2.92Å; Q160-S163 WeakPolarHBondContact CA-OG 3.25Å; Q160-S163 PolarHBondContact O-N 3.36Å; Q160-S163 PolarHBondContact O-OG 3Å; Q160-S164 PolarHBondContact O-N 3.45Å
161L78.6Confident79.5Confident132 Ų13295 Ų9569%0.69150%0.503SS*.Hα-helixtrans-67.4-27.6174.7-69.1172.3000113.7E157 E159 S164E157-L161 WeakPolarHBondContact O-CG 3.42Å; E157-L161 PolarHBondContact O-N 2.96Å; E159-L161 PolarHBondContact O-N 3.49Å; L161-S164 PolarHBondContact O-OG 2.89Å
162K76.1Confident79.4Confident161 Ų161100.2 Ų100.270%0.752%0.521SS*.Hα-helixtrans-76.3-32.6171.1-76.6169.8179.51750112.4C158 E159 Q160C158-K162 WeakPolarHBondContact O-CB 3.34Å; C158-K162 VanDerWaalsContact O-CG 3.28Å; C158-K162 WeakPolarHBondContact O-CG 3.49Å; C158-K162 PolarHBondContact O-N 3.48Å; E159-K162 PolarHBondContact O-N 3.48Å; Q160-K162 VanDerWaalsContact C-N 3.33Å; Q160-K162 PolarHBondContact O-N 2.92Å
163S73.6Confident79.6Confident89 Ų89104.6 Ų104.662%0.62254%0.54SS*.Hα-helixtrans-81.4-16177.768.50000114.5E159 Q160 G165E159-S163 WeakPolarHBondContact O-CB 3.42Å; E159-S163 PolarHBondContact O-N 3.32Å; E159-S163 PolarHBondContact O-OG 3.45Å; Q160-S163 WeakPolarHBondContact CA-OG 3.25Å; Q160-S163 PolarHBondContact O-N 3.36Å; Q160-S163 PolarHBondContact O-OG 3Å; S163-G165 PolarHBondContact O-N 2.91Å
164S72.4Confident79.7Confident75 Ų75105.8 Ų105.852%0.52454%0.544SS..THydrogen-bonded Turntrans-72.39.2-178.360.60000115Q160 L161 F166Q160-S164 PolarHBondContact O-N 3.45Å; L161-S164 PolarHBondContact O-OG 2.89Å; S164-F166 PolarHBondContact O-N 3.42Å
165G62.8Low79.9Confident62 Ų62101.9 Ų101.964%0.63953%0.533SS*.  trans85.916.4132.700000118.6S163S163-G165 PolarHBondContact O-N 2.91Å
166F59.9Low80.2Confident171 Ų171101.2 Ų101.275%0.7554%0.536SS*.  trans-106.3109.5166.1-66.7-71.5000110.9S164 T168 I171S164-F166 PolarHBondContact O-N 3.42Å; F166-T168 VanDerWaalsContact C-N 3.35Å; F166-T168 PolarHBondContact O-N 3.29Å; F166-I171 HydrophobicContact CB-CD1 4.29Å; F166-I171 HydrophobicContact CD1-CD1 4.44Å
167S66Low80.6Confident53 Ų5396.1 Ų96.137%0.37152%0.522SS..  trans-66.795.2168.9-175.40000108.9A169 E170 I171S167-A169 PolarHBondContact O-N 3Å; S167-E170 WeakPolarHBondContact CB-OE2 3.39Å; S167-E170 PolarHBondContact O-N 3.47Å; S167-I171 PolarHBondContact O-N 2.89Å
168T75.9Confident81Confident84 Ų8496.6 Ų96.652%0.51553%0.525SS..Hα-helixtrans-59.7-14.1175.860.90000112.7F166 R172F166-T168 VanDerWaalsContact C-N 3.35Å; F166-T168 PolarHBondContact O-N 3.29Å; T168-R172 VanDerWaalsContact O-CB 3.3Å; T168-R172 WeakPolarHBondContact O-CB 3.29Å; T168-R172 VanDerWaalsContact O-CG 3.27Å; T168-R172 WeakPolarHBondContact O-CG 3.48Å; T168-R172 PolarHBondContact O-N 3.36Å; T168-R172 PolarHBondContact O-NE 2.89Å; T168-R172 PolarHBondContact OG1-NH2 2.89Å
169A81Confident81.5Confident59 Ų5999 Ų9949%0.48853%0.53SS..Hα-helixtrans-74-39.8171.600000112.4S167 K173S167-A169 PolarHBondContact O-N 3Å; A169-K173 WeakPolarHBondContact O-CB 3.32Å; A169-K173 PolarHBondContact O-N 3.07Å
170E81.8Confident82.1Confident127 Ų127102.9 Ų102.959%0.59355%0.548SS*.Hα-helixtrans-67.8-49.6176.9-70.3167.9-179.800110.4S167 R172 K173 D174S167-E170 WeakPolarHBondContact CB-OE2 3.39Å; S167-E170 PolarHBondContact O-N 3.47Å; E170-R172 VanDerWaalsContact C-N 3.29Å; E170-R172 PolarHBondContact O-N 3.36Å; E170-K173 WeakPolarHBondContact O-CA 3.3Å; E170-K173 WeakPolarHBondContact O-CB 3.37Å; E170-K173 PolarHBondContact O-N 2.76Å; E170-D174 PolarHBondContact O-N 2.58Å
171I84.3Confident82.7Confident83 Ų83102.2 Ų102.243%0.42655%0.545SS..Hα-helixtrans-58.3-40.4176.5-60.9172.8000111.4F166 S167 D174 I175F166-I171 HydrophobicContact CB-CD1 4.29Å; F166-I171 HydrophobicContact CD1-CD1 4.44Å; S167-I171 PolarHBondContact O-N 2.89Å; I171-D174 PolarHBondContact O-N 2.78Å; I171-I175 HydrophobicContact CG2-CD1 3.87Å; I171-I175 WeakPolarHBondContact O-CB 3.35Å; I171-I175 WeakPolarHBondContact O-CD1 3.26Å; I171-I175 WeakPolarHBondContact O-CG1 3.28Å; I171-I175 PolarHBondContact O-N 3.47Å
172R87.1Confident83.5Confident167 Ų167102.1 Ų102.163%0.6354%0.539SS*.Hα-helixtrans-67.5-35.1175-82.3179.8-73.2-170.3-3.4113.1T168 E170 G176T168-R172 VanDerWaalsContact O-CB 3.3Å; T168-R172 WeakPolarHBondContact O-CB 3.29Å; T168-R172 VanDerWaalsContact O-CG 3.27Å; T168-R172 WeakPolarHBondContact O-CG 3.48Å; T168-R172 PolarHBondContact O-N 3.36Å; T168-R172 PolarHBondContact O-NE 2.89Å; T168-R172 PolarHBondContact OG1-NH2 2.89Å; E170-R172 VanDerWaalsContact C-N 3.29Å; E170-R172 PolarHBondContact O-N 3.36Å; R172-G176 PolarHBondContact O-N 2.81Å
173K90.6Very high84.4Confident159 Ų15998 Ų9869%0.69153%0.525SS*.Hα-helixtrans-67.3-43.5175.2-174.8-172.1174.2-1670111.1A169 E170 G176 A177A169-K173 WeakPolarHBondContact O-CB 3.32Å; A169-K173 PolarHBondContact O-N 3.07Å; E170-K173 WeakPolarHBondContact O-CA 3.3Å; E170-K173 WeakPolarHBondContact O-CB 3.37Å; E170-K173 PolarHBondContact O-N 2.76Å; K173-G176 PolarHBondContact O-N 3.45Å; K173-A177 PolarHBondContact O-N 2.86Å
174D89.4Confident85.3Confident95 Ų9599.7 Ų99.751%0.50852%0.523SS..Hα-helixtrans-67.8-39.4178.8-65.3-11.6000111.3E170 I171 A177 M178E170-D174 PolarHBondContact O-N 2.58Å; I171-D174 PolarHBondContact O-N 2.78Å; D174-A177 PolarHBondContact O-N 3.44Å; D174-M178 WeakPolarHBondContact O-CG 3.34Å; D174-M178 PolarHBondContact O-N 3.41Å
175I91.3Very high86.4Confident75 Ų75101.2 Ų101.239%0.38553%0.525SS..Hα-helixtrans-59.5-48.7170.3-71.1166.4000110.6I171 A177 M178 E179I171-I175 HydrophobicContact CG2-CD1 3.87Å; I171-I175 WeakPolarHBondContact O-CB 3.35Å; I171-I175 WeakPolarHBondContact O-CD1 3.26Å; I171-I175 WeakPolarHBondContact O-CG1 3.28Å; I171-I175 PolarHBondContact O-N 3.47Å; I175-A177 VanDerWaalsContact C-N 3.33Å; I175-A177 PolarHBondContact O-N 3.32Å; I175-M178 HydrophobicContact CG1-CE 4.28Å; I175-M178 PolarHBondContact O-N 2.65Å; I175-E179 HydrophobicContact CG2-CG 4.35Å; I175-E179 WeakPolarHBondContact O-CB 3.45Å; I175-E179 WeakPolarHBondContact O-CG 3.27Å; I175-E179 PolarHBondContact O-N 2.68Å
176G94.2Very high87.9Confident23 Ų23101.8 Ų101.824%0.23751%0.512CS..Hα-helixtrans-58.8-42.5177.100000112.9R172 K173 E179 E180R172-G176 PolarHBondContact O-N 2.81Å; K173-G176 PolarHBondContact O-N 3.45Å; G176-E179 PolarHBondContact O-N 3.1Å; G176-E180 WeakPolarHBondContact O-CG 3.37Å; G176-E180 PolarHBondContact O-N 3.16Å
177A93.8Very high89.6Confident45 Ų4598.5 Ų98.537%0.37250%0.498SS..Hα-helixtrans-63-44.6175.300000112.3K173 D174 I175 E179 E180 E181K173-A177 PolarHBondContact O-N 2.86Å; D174-A177 PolarHBondContact O-N 3.44Å; I175-A177 VanDerWaalsContact C-N 3.33Å; I175-A177 PolarHBondContact O-N 3.32Å; A177-E179 VanDerWaalsContact C-N 3.33Å; A177-E179 PolarHBondContact O-N 3.06Å; A177-E180 PolarHBondContact O-N 3.35Å; A177-E181 WeakPolarHBondContact O-CG 3.47Å; A177-E181 PolarHBondContact O-N 3.4Å
178M94.3Very high90.9Very high113 Ų113104.5 Ų104.556%0.55751%0.512SS*.Hα-helixtrans-64.8-34.7175.1-73.2-173.4-69.200112.7D174 I175 K182D174-M178 WeakPolarHBondContact O-CG 3.34Å; D174-M178 PolarHBondContact O-N 3.41Å; I175-M178 HydrophobicContact CG1-CE 4.28Å; I175-M178 PolarHBondContact O-N 2.65Å; M178-K182 WeakPolarHBondContact O-CB 3.36Å; M178-K182 PolarHBondContact O-N 3.27Å
179E94.6Very high91.6Very high119 Ų119103.9 Ų103.956%0.55651%0.508SS*.Hα-helixtrans-67.4-43.6173.9-74.6179.5161.200111.4I175 G176 A177 K182 D183I175-E179 HydrophobicContact CG2-CG 4.35Å; I175-E179 WeakPolarHBondContact O-CB 3.45Å; I175-E179 WeakPolarHBondContact O-CG 3.27Å; I175-E179 PolarHBondContact O-N 2.68Å; G176-E179 PolarHBondContact O-N 3.1Å; A177-E179 VanDerWaalsContact C-N 3.33Å; A177-E179 PolarHBondContact O-N 3.06Å; E179-K182 PolarHBondContact O-N 2.82Å; E179-D183 WeakPolarHBondContact O-CB 3.33Å; E179-D183 PolarHBondContact O-N 3.15Å
180E94.9Very high92.1Very high132 Ų132105.8 Ų105.862%0.61751%0.507SS*.Hα-helixtrans-62.1-45.3173.8-74.8-179.2-165.100112.4G176 A177 D183 Q184G176-E180 WeakPolarHBondContact O-CG 3.37Å; G176-E180 PolarHBondContact O-N 3.16Å; A177-E180 PolarHBondContact O-N 3.35Å; E180-D183 PolarHBondContact O-N 2.65Å; E180-Q184 VanDerWaalsContact O-CG 3.29Å; E180-Q184 WeakPolarHBondContact O-CG 3.25Å; E180-Q184 PolarHBondContact O-N 2.92Å
181E94.4Very high92.6Very high123 Ų123108.6 Ų108.658%0.57551%0.512SS*.Hα-helixtrans-61.6-44.7175.7-76.7-173.2176.100111.9A177 D183 Q184 L185A177-E181 WeakPolarHBondContact O-CG 3.47Å; A177-E181 PolarHBondContact O-N 3.4Å; E181-D183 VanDerWaalsContact C-N 3.32Å; E181-D183 PolarHBondContact O-N 2.89Å; E181-Q184 PolarHBondContact O-N 2.85Å; E181-L185 WeakPolarHBondContact O-CB 3.46Å; E181-L185 WeakPolarHBondContact O-CG 3.46Å; E181-L185 PolarHBondContact O-N 2.81Å
182K95.2Very high92.8Very high130 Ų130108.8 Ų108.857%0.56551%0.513SS*.Hα-helixtrans-57.7-45.2174.5175.4-169172.2-165.40111.1M178 E179 L185 I186M178-K182 WeakPolarHBondContact O-CB 3.36Å; M178-K182 PolarHBondContact O-N 3.27Å; E179-K182 PolarHBondContact O-N 2.82Å; K182-L185 PolarHBondContact O-N 3.24Å; K182-I186 HydrophobicContact CG-CD1 3.95Å; K182-I186 VanDerWaalsContact O-CG1 3.28Å; K182-I186 WeakPolarHBondContact O-CG1 3.35Å; K182-I186 PolarHBondContact O-N 2.88Å
183D94.6Very high92.7Very high74 Ų74106.5 Ų106.540%0.39651%0.508SS..Hα-helixtrans-64.4-40.7178.3-115.339.5000112.5E179 E180 E181 I186 K187E179-D183 WeakPolarHBondContact O-CB 3.33Å; E179-D183 PolarHBondContact O-N 3.15Å; E180-D183 PolarHBondContact O-N 2.65Å; E181-D183 VanDerWaalsContact C-N 3.32Å; E181-D183 PolarHBondContact O-N 2.89Å; D183-I186 PolarHBondContact O-N 3.27Å; D183-K187 WeakPolarHBondContact O-CB 3.47Å; D183-K187 WeakPolarHBondContact O-CD 3.29Å; D183-K187 VanDerWaalsContact O-CG 3.25Å; D183-K187 WeakPolarHBondContact O-CG 3.39Å; D183-K187 PolarHBondContact O-N 2.84Å; D183-K187 IonicContact OD2-NZ 3.89Å; D183-K187 PolarHBondContact OD2-NZ 2.91Å
184Q93.8Very high92.6Very high125 Ų125106 Ų10658%0.58451%0.506SS*.Hα-helixtrans-63.4-43.1173.8-71.3177.645.100111.5E180 E181 K187 R188E180-Q184 VanDerWaalsContact O-CG 3.29Å; E180-Q184 WeakPolarHBondContact O-CG 3.25Å; E180-Q184 PolarHBondContact O-N 2.92Å; E181-Q184 PolarHBondContact O-N 2.85Å; Q184-K187 PolarHBondContact O-N 2.94Å; Q184-R188 WeakPolarHBondContact O-CB 3.37Å; Q184-R188 PolarHBondContact O-N 3.09Å
185L94.1Very high92.5Very high107 Ų107110.6 Ų110.656%0.5652%0.516SS*.Hα-helixtrans-63.5-44.7175.8-74.3170.1000111.7E181 K182 R188 V189E181-L185 WeakPolarHBondContact O-CB 3.46Å; E181-L185 WeakPolarHBondContact O-CG 3.46Å; E181-L185 PolarHBondContact O-N 2.81Å; K182-L185 PolarHBondContact O-N 3.24Å; L185-R188 PolarHBondContact O-N 2.99Å; L185-V189 WeakPolarHBondContact O-CB 3.45Å; L185-V189 VanDerWaalsContact O-CG2 3.28Å; L185-V189 WeakPolarHBondContact O-CG2 3.21Å; L185-V189 PolarHBondContact O-N 3.28Å
186I94.8Very high92.2Very high73 Ų73109.2 Ų109.237%0.37451%0.511SS..Hα-helixtrans-58.5-51.5175.3-70.8166000110.2K182 D183 R188 V189 E190K182-I186 HydrophobicContact CG-CD1 3.95Å; K182-I186 VanDerWaalsContact O-CG1 3.28Å; K182-I186 WeakPolarHBondContact O-CG1 3.35Å; K182-I186 PolarHBondContact O-N 2.88Å; D183-I186 PolarHBondContact O-N 3.27Å; I186-R188 VanDerWaalsContact C-N 3.26Å; I186-R188 PolarHBondContact O-N 2.86Å; I186-V189 PolarHBondContact O-N 2.81Å; I186-V189 VanDerWaalsContact O-N 3.11Å; I186-E190 HydrophobicContact CG2-CG 4.49Å; I186-E190 WeakPolarHBondContact O-CG 3.45Å; I186-E190 PolarHBondContact O-N 3.15Å
187K94.6Very high91.8Very high103 Ų103113.3 Ų113.345%0.44852%0.524SS..Hα-helixtrans-58.9-36.4177.8-71160.9-169.9151.70112D183 Q184 R191D183-K187 WeakPolarHBondContact O-CB 3.47Å; D183-K187 WeakPolarHBondContact O-CD 3.29Å; D183-K187 VanDerWaalsContact O-CG 3.25Å; D183-K187 WeakPolarHBondContact O-CG 3.39Å; D183-K187 PolarHBondContact O-N 2.84Å; D183-K187 IonicContact OD2-NZ 3.89Å; D183-K187 PolarHBondContact OD2-NZ 2.91Å; Q184-K187 PolarHBondContact O-N 2.94Å; K187-R191 VanDerWaalsContact O-CG 3.26Å; K187-R191 WeakPolarHBondContact O-CG 3.45Å; K187-R191 PolarHBondContact O-N 2.89Å; K187-R191 VanDerWaalsContact O-N 3.17Å
188R94.5Very high91.4Very high178 Ų178116 Ų11667%0.67254%0.54SS*.Hα-helixtrans-70.6-41.1175.6-170.5173.3-178.1167.4-0.5112.2Q184 L185 I186 R191 L192Q184-R188 WeakPolarHBondContact O-CB 3.37Å; Q184-R188 PolarHBondContact O-N 3.09Å; L185-R188 PolarHBondContact O-N 2.99Å; I186-R188 VanDerWaalsContact C-N 3.26Å; I186-R188 PolarHBondContact O-N 2.86Å; R188-R191 PolarHBondContact O-N 3.49Å; R188-L192 HydrophobicContact CG-CD1 4.44Å; R188-L192 PolarHBondContact O-N 2.81Å
189V91.3Very high90.9Very high72 Ų72113.8 Ų113.844%0.43653%0.533SS..Hα-helixtrans-65-42.1175.51690000111.1L185 I186 L192 K193L185-V189 WeakPolarHBondContact O-CB 3.45Å; L185-V189 VanDerWaalsContact O-CG2 3.28Å; L185-V189 WeakPolarHBondContact O-CG2 3.21Å; L185-V189 PolarHBondContact O-N 3.28Å; I186-V189 PolarHBondContact O-N 2.81Å; I186-V189 VanDerWaalsContact O-N 3.11Å; V189-L192 PolarHBondContact O-N 3.48Å; V189-K193 HydrophobicContact CG1-CD 4.28Å; V189-K193 HydrophobicContact CG1-CG 4.38Å; V189-K193 WeakPolarHBondContact O-CG 3.08Å; V189-K193 PolarHBondContact O-N 3.12Å
190E91.5Very high90.3Very high98 Ų98112.6 Ų112.646%0.45854%0.538SS..Hα-helixtrans-62.3-44.4175.2-73.6-178.5175.700112.5I186 L192 K193 K194I186-E190 HydrophobicContact CG2-CG 4.49Å; I186-E190 WeakPolarHBondContact O-CG 3.45Å; I186-E190 PolarHBondContact O-N 3.15Å; E190-L192 VanDerWaalsContact C-N 3.27Å; E190-L192 PolarHBondContact O-N 2.94Å; E190-K193 PolarHBondContact O-N 3.47Å; E190-K194 WeakPolarHBondContact O-CG 3.42Å; E190-K194 PolarHBondContact O-N 3.42Å
191R91.5Very high89.7Confident187 Ų187112.4 Ų112.471%0.70654%0.541SS*.Hα-helixtrans-60.4-37.2174-72172.1-173-171.13.5111.8K187 R188 R195K187-R191 VanDerWaalsContact O-CG 3.26Å; K187-R191 WeakPolarHBondContact O-CG 3.45Å; K187-R191 PolarHBondContact O-N 2.89Å; K187-R191 VanDerWaalsContact O-N 3.17Å; R188-R191 PolarHBondContact O-N 3.49Å; R191-R195 WeakPolarHBondContact O-CG 3.08Å; R191-R195 PolarHBondContact O-N 3.47Å
192L87.6Confident89.4Confident87 Ų87108.8 Ų108.846%0.45552%0.524SS..Hα-helixtrans-69.8-45.6174.7-84161000112.1R188 V189 E190 K194 R195 V196R188-L192 HydrophobicContact CG-CD1 4.44Å; R188-L192 PolarHBondContact O-N 2.81Å; V189-L192 PolarHBondContact O-N 3.48Å; E190-L192 VanDerWaalsContact C-N 3.27Å; E190-L192 PolarHBondContact O-N 2.94Å; L192-K194 PolarHBondContact O-N 3.36Å; L192-R195 WeakPolarHBondContact O-CB 3.11Å; L192-R195 PolarHBondContact O-N 3.01Å; L192-R195 VanDerWaalsContact O-N 3.13Å; L192-V196 WeakPolarHBondContact O-CG2 3.03Å; L192-V196 PolarHBondContact O-N 2.88Å
193K86.3Confident88.9Confident119 Ų119109.8 Ų109.852%0.51753%0.53SS..Hα-helixtrans-56-51.1176.3-77.9-179.3175.7-176.90111.6V189 E190 R195 V196 E197V189-K193 HydrophobicContact CG1-CD 4.28Å; V189-K193 HydrophobicContact CG1-CG 4.38Å; V189-K193 WeakPolarHBondContact O-CG 3.08Å; V189-K193 PolarHBondContact O-N 3.12Å; E190-K193 PolarHBondContact O-N 3.47Å; K193-R195 PolarHBondContact O-N 3.42Å; K193-R195 VanDerWaalsContact O-N 3.16Å; K193-V196 CarbonylContact O-C 3.58Å; K193-V196 PolarHBondContact O-N 3.13Å; K193-E197 VanDerWaalsContact O-CG 3.32Å; K193-E197 WeakPolarHBondContact O-CG 3.44Å; K193-E197 PolarHBondContact O-N 2.82Å
194K88.2Confident88.6Confident149 Ų149115.1 Ų115.165%0.64855%0.545SS*.Hα-helixtrans-56.8-32.2176.7-71.9178.1178.9178.70113.7E190 L192E190-K194 WeakPolarHBondContact O-CG 3.42Å; E190-K194 PolarHBondContact O-N 3.42Å; L192-K194 PolarHBondContact O-N 3.36Å
195R86.8Confident88.3Confident190 Ų190113.7 Ų113.772%0.71754%0.539SS*.Hα-helixtrans-76.7-29.3174.4-73.6177.264.7-167.2-0.2113.3R191 L192 K193 S198R191-R195 WeakPolarHBondContact O-CG 3.08Å; R191-R195 PolarHBondContact O-N 3.47Å; L192-R195 WeakPolarHBondContact O-CB 3.11Å; L192-R195 PolarHBondContact O-N 3.01Å; L192-R195 VanDerWaalsContact O-N 3.13Å; K193-R195 PolarHBondContact O-N 3.42Å; K193-R195 VanDerWaalsContact O-N 3.16Å; R195-S198 PolarHBondContact O-OG 2.94Å
196V85.8Confident88Confident47 Ų47112.9 Ų112.929%0.28554%0.535SS..Hα-helixtrans-87.5-30.1-178170.20000111.6L192 K193 S198 V199 H202 L206L192-V196 WeakPolarHBondContact O-CG2 3.03Å; L192-V196 PolarHBondContact O-N 2.88Å; K193-V196 CarbonylContact O-C 3.58Å; K193-V196 PolarHBondContact O-N 3.13Å; V196-S198 PolarHBondContact O-N 3.39Å; V196-V199 WeakPolarHBondContact O-CB 3.27Å; V196-V199 PolarHBondContact O-N 3.4Å; V196-H202 HydrophobicContact CG1-CB 3.87Å; V196-H202 VanDerWaalsContact O-CB 3.23Å; V196-H202 WeakPolarHBondContact O-CB 3.1Å; V196-L206 HydrophobicContact CG1-CD1 3.85Å; V196-L206 HydrophobicContact CG1-CD2 4.08Å; V196-L206 HydrophobicContact CG1-CG 3.92Å
197E85.8Confident87.8Confident108 Ų108115.2 Ų115.251%0.50555%0.545SS..THydrogen-bonded Turntrans-58.3-26.4174.4-77.6159.5-162.300113.4K193 V199K193-E197 VanDerWaalsContact O-CG 3.32Å; K193-E197 WeakPolarHBondContact O-CG 3.44Å; K193-E197 PolarHBondContact O-N 2.82Å; E197-V199 PolarHBondContact O-N 3.39Å
198S84.3Confident87.6Confident102 Ų102114.8 Ų114.871%0.71355%0.547SS*.THydrogen-bonded Turntrans-71.3-9.717567.60000114.1R195 V196R195-S198 PolarHBondContact O-OG 2.94Å; V196-S198 PolarHBondContact O-N 3.39Å
199V84.2Confident87.5Confident66 Ų66108.9 Ų108.940%0.454%0.536SS..SBendtrans-93.1133.4-179.7-169.20000110.2V196 E197 H202 M205V196-V199 WeakPolarHBondContact O-CB 3.27Å; V196-V199 PolarHBondContact O-N 3.4Å; E197-V199 PolarHBondContact O-N 3.39Å; V199-H202 HydrophobicContact CB-CB 4.44Å; V199-H202 WeakPolarHBondContact O-CB 3.38Å; V199-H202 PolarHBondContact O-N 2.96Å; V199-H202 PolarHBondContact O-ND1 3.34Å; V199-M205 HydrophobicContact CG1-CE 3.53Å
200S81.4Confident87.5Confident94 Ų94114.1 Ų114.166%0.65755%0.548SS*.THydrogen-bonded Turntrans-61.3141.1173.454.10000111H202 M205S200-H202 PolarHBondContact O-N 3.5Å; S200-M205 WeakPolarHBondContact O-CE 3.44Å
201N83.8Confident87.6Confident128 Ų128114.7 Ų114.768%0.68455%0.551SS**THydrogen-bonded Turntrans56.725.6-176.4-60.6-31.7000115.4Q203 R204 M205N201-Q203 VanDerWaalsContact C-N 3.27Å; N201-Q203 PolarHBondContact O-N 2.9Å; N201-Q203 VanDerWaalsContact O-N 3.15Å; N201-R204 PolarHBondContact O-N 3.32Å; N201-R204 VanDerWaalsContact O-N 3.17Å; N201-M205 PolarHBondContact O-N 2.92Å; N201-M205 VanDerWaalsContact O-N 3.11Å
202H86.3Confident87.8Confident48 Ų48110.9 Ų110.922%0.22254%0.543CS..Hα-helixtrans-53.9-35.9-176.962.9-96.9000114.6V196 V199 S200 M205 L206V196-H202 HydrophobicContact CG1-CB 3.87Å; V196-H202 VanDerWaalsContact O-CB 3.23Å; V196-H202 WeakPolarHBondContact O-CB 3.1Å; V199-H202 HydrophobicContact CB-CB 4.44Å; V199-H202 WeakPolarHBondContact O-CB 3.38Å; V199-H202 PolarHBondContact O-N 2.96Å; V199-H202 PolarHBondContact O-ND1 3.34Å; S200-H202 PolarHBondContact O-N 3.5Å; H202-M205 PolarHBondContact O-N 3.48Å; H202-L206 WeakPolarHBondContact O-CB 3.35Å; H202-L206 WeakPolarHBondContact O-CG 3.41Å; H202-L206 PolarHBondContact O-N 3.41Å
203Q86.1Confident88.2Confident150 Ų150113.6 Ų113.670%0.70155%0.548SS*.Hα-helixtrans-60.9-49.6178.8-66.4-179.4-11.100111.6N201 M205 L206 E207N201-Q203 VanDerWaalsContact C-N 3.27Å; N201-Q203 PolarHBondContact O-N 2.9Å; N201-Q203 VanDerWaalsContact O-N 3.15Å; Q203-M205 PolarHBondContact O-N 3.5Å; Q203-L206 PolarHBondContact O-N 2.92Å; Q203-E207 PolarHBondContact O-N 3.32Å
204R88.2Confident88.6Confident186 Ų186111 Ų11170%0.70254%0.542SS*.Hα-helixtrans-66.3-36.6178.2-171.2175.5-179.5-178-0.2111.9N201 E207 L208N201-R204 PolarHBondContact O-N 3.32Å; N201-R204 VanDerWaalsContact O-N 3.17Å; R204-E207 PolarHBondContact O-N 2.9Å; R204-L208 HydrophobicContact CG-CD1 4.41Å; R204-L208 WeakPolarHBondContact O-CG 3.43Å; R204-L208 PolarHBondContact O-N 3.49Å
205M86.9Confident88.8Confident95 Ų95108.8 Ų108.847%0.46853%0.534SS..Hα-helixtrans-69.3-37.1174.8-82-167.8-82.800113.1V199 S200 N201 H202 Q203 E207 A209V199-M205 HydrophobicContact CG1-CE 3.53Å; S200-M205 WeakPolarHBondContact O-CE 3.44Å; N201-M205 PolarHBondContact O-N 2.92Å; N201-M205 VanDerWaalsContact O-N 3.11Å; H202-M205 PolarHBondContact O-N 3.48Å; Q203-M205 PolarHBondContact O-N 3.5Å; M205-E207 VanDerWaalsContact C-N 3.33Å; M205-A209 WeakPolarHBondContact O-CB 3.3Å; M205-A209 PolarHBondContact O-N 2.79Å
206L88.9Confident89.1Confident90 Ų90105.6 Ų105.647%0.47153%0.525SS..Hα-helixtrans-65.4-36.9173.4-78.6171.9000111.9V196 H202 Q203 R210V196-L206 HydrophobicContact CG1-CD1 3.85Å; V196-L206 HydrophobicContact CG1-CD2 4.08Å; V196-L206 HydrophobicContact CG1-CG 3.92Å; H202-L206 WeakPolarHBondContact O-CB 3.35Å; H202-L206 WeakPolarHBondContact O-CG 3.41Å; H202-L206 PolarHBondContact O-N 3.41Å; Q203-L206 PolarHBondContact O-N 2.92Å; L206-R210 WeakPolarHBondContact O-CB 3.49Å; L206-R210 PolarHBondContact O-N 2.82Å
207E90.6Very high89.4Confident122 Ų122107.8 Ų107.857%0.5753%0.532SS*.Hα-helixtrans-68-46176.2-171.9159.7-140.800112Q203 R204 M205 A209 R210 Q211Q203-E207 PolarHBondContact O-N 3.32Å; R204-E207 PolarHBondContact O-N 2.9Å; M205-E207 VanDerWaalsContact C-N 3.33Å; E207-A209 PolarHBondContact O-N 3.31Å; E207-R210 WeakPolarHBondContact O-CB 3.4Å; E207-R210 PolarHBondContact O-N 3.23Å; E207-Q211 WeakPolarHBondContact O-CG 3.45Å; E207-Q211 PolarHBondContact O-N 3.38Å
208L90.8Very high89.8Confident95 Ų95109.4 Ų109.450%0.49753%0.534SS..Hα-helixtrans-61.7-41.1172.5-70.6170.3000112.1R204 R210 Q211 L212R204-L208 HydrophobicContact CG-CD1 4.41Å; R204-L208 WeakPolarHBondContact O-CG 3.43Å; R204-L208 PolarHBondContact O-N 3.49Å; L208-R210 VanDerWaalsContact C-N 3.33Å; L208-R210 PolarHBondContact O-N 3.37Å; L208-Q211 PolarHBondContact O-N 2.99Å; L208-L212 WeakPolarHBondContact O-CB 3.28Å; L208-L212 PolarHBondContact O-N 2.86Å
209A90.6Very high90.2Very high53 Ų53110.8 Ų110.844%0.43853%0.529SS..Hα-helixtrans-65.5-36175.900000112.1M205 E207 R213M205-A209 WeakPolarHBondContact O-CB 3.3Å; M205-A209 PolarHBondContact O-N 2.79Å; E207-A209 PolarHBondContact O-N 3.31Å; A209-R213 WeakPolarHBondContact O-CB 3.4Å; A209-R213 PolarHBondContact O-N 2.94Å
210R92.4Very high90.7Very high182 Ų182113.4 Ų113.469%0.68754%0.537SS*.Hα-helixtrans-65.7-44.8173.2-177.6-178179.2-175.80111.4L206 E207 L208 R213 V214L206-R210 WeakPolarHBondContact O-CB 3.49Å; L206-R210 PolarHBondContact O-N 2.82Å; E207-R210 WeakPolarHBondContact O-CB 3.4Å; E207-R210 PolarHBondContact O-N 3.23Å; L208-R210 VanDerWaalsContact C-N 3.33Å; L208-R210 PolarHBondContact O-N 3.37Å; R210-R213 PolarHBondContact O-N 3.41Å; R210-V214 WeakPolarHBondContact O-CG2 3.5Å; R210-V214 PolarHBondContact O-N 3.2Å
211Q94.3Very high91.2Very high111 Ų111111.9 Ų111.952%0.51953%0.526SS..Hα-helixtrans-60-48.9175.4-71.7172.7-2.800111E207 L208 R213 V214 E215E207-Q211 WeakPolarHBondContact O-CG 3.45Å; E207-Q211 PolarHBondContact O-N 3.38Å; L208-Q211 PolarHBondContact O-N 2.99Å; Q211-R213 VanDerWaalsContact C-N 3.3Å; Q211-R213 PolarHBondContact O-N 3.47Å; Q211-V214 PolarHBondContact O-N 3.28Å; Q211-E215 PolarHBondContact O-N 3.22Å
212L94.5Very high91.8Very high106 Ų106110 Ų11056%0.55552%0.516SS*.Hα-helixtrans-59.3-38.4176-17963000112.6L208 K216L208-L212 WeakPolarHBondContact O-CB 3.28Å; L208-L212 PolarHBondContact O-N 2.86Å; L212-K216 WeakPolarHBondContact O-CB 3.28Å; L212-K216 WeakPolarHBondContact O-CG 3.33Å; L212-K216 PolarHBondContact O-N 2.92Å
213R95.3Very high92Very high145 Ų145110.5 Ų110.555%0.54753%0.527SS..Hα-helixtrans-65.4-44.9176.8-158.4-16181.5-169.68.6111.6A209 R210 Q211 K216 E217A209-R213 WeakPolarHBondContact O-CB 3.4Å; A209-R213 PolarHBondContact O-N 2.94Å; R210-R213 PolarHBondContact O-N 3.41Å; Q211-R213 VanDerWaalsContact C-N 3.3Å; Q211-R213 PolarHBondContact O-N 3.47Å; R213-K216 PolarHBondContact O-N 2.93Å; R213-E217 IonicContact CZ-OE1 2.65Å; R213-E217 IonicContact NE-OE1 3.41Å; R213-E217 PolarHBondContact NE-OE1 2.97Å; R213-E217 IonicContact NE-OE2 3.09Å; R213-E217 IonicContact NH2-OE1 3.64Å; R213-E217 PolarHBondContact NH2-OE1 3.02Å; R213-E217 IonicContact NH2-OE2 3.91Å; R213-E217 PolarHBondContact NH2-OE2 2.86Å; R213-E217 WeakPolarHBondContact O-CG 3.34Å; R213-E217 PolarHBondContact O-N 3.42Å
214V95.6Very high92.3Very high65 Ų65108.4 Ų108.439%0.39452%0.518SS..Hα-helixtrans-64.8-43.2178170.60000111.2R210 Q211 K216 E217 R218R210-V214 WeakPolarHBondContact O-CG2 3.5Å; R210-V214 PolarHBondContact O-N 3.2Å; Q211-V214 PolarHBondContact O-N 3.28Å; V214-K216 VanDerWaalsContact C-N 3.32Å; V214-K216 PolarHBondContact O-N 3.43Å; V214-E217 PolarHBondContact O-N 3.16Å; V214-R218 WeakPolarHBondContact O-CB 3.42Å; V214-R218 PolarHBondContact O-N 3.13Å
215E92.8Very high92.6Very high101 Ų101104.1 Ų104.147%0.47251%0.506SS..Hα-helixtrans-68.3-30.4176.5-67.7-56.1145.100112.4Q211 R218 E219Q211-E215 PolarHBondContact O-N 3.22Å; E215-R218 WeakPolarHBondContact O-CB 3.45Å; E215-R218 PolarHBondContact O-N 3.1Å; E215-R218 IonicContact OE1-NH1 3.45Å; E215-R218 WeakPolarHBondContact OE2-CD 3.39Å; E215-R218 IonicContact OE2-NH1 2.58Å; E215-E219 WeakPolarHBondContact O-CB 3.25Å; E215-E219 PolarHBondContact O-N 2.97Å
216K92.9Very high92.9Very high123 Ų123105.9 Ų105.954%0.53551%0.511SS..Hα-helixtrans-70.1-43170.5-78.9-170.7171.6-1630113.6L212 R213 V214 R218 E219 E220L212-K216 WeakPolarHBondContact O-CB 3.28Å; L212-K216 WeakPolarHBondContact O-CG 3.33Å; L212-K216 PolarHBondContact O-N 2.92Å; R213-K216 PolarHBondContact O-N 2.93Å; V214-K216 VanDerWaalsContact C-N 3.32Å; V214-K216 PolarHBondContact O-N 3.43Å; K216-R218 PolarHBondContact O-N 3.33Å; K216-E219 PolarHBondContact O-N 3.39Å; K216-E220 WeakPolarHBondContact O-CB 3.42Å; K216-E220 PolarHBondContact O-N 2.89Å
217E92.6Very high93Very high93 Ų93106.2 Ų106.244%0.43551%0.51SS..Hα-helixtrans-57.6-39171.7-73.7164.4-169.200110.4R213 V214 S221R213-E217 IonicContact CZ-OE1 2.65Å; R213-E217 IonicContact NE-OE1 3.41Å; R213-E217 PolarHBondContact NE-OE1 2.97Å; R213-E217 IonicContact NE-OE2 3.09Å; R213-E217 IonicContact NH2-OE1 3.64Å; R213-E217 PolarHBondContact NH2-OE1 3.02Å; R213-E217 IonicContact NH2-OE2 3.91Å; R213-E217 PolarHBondContact NH2-OE2 2.86Å; R213-E217 WeakPolarHBondContact O-CG 3.34Å; R213-E217 PolarHBondContact O-N 3.42Å; V214-E217 PolarHBondContact O-N 3.16Å; E217-S221 WeakPolarHBondContact O-CB 3.47Å; E217-S221 PolarHBondContact O-N 3.2Å; E217-S221 PolarHBondContact O-OG 3.05Å
218R94.4Very high93Very high142 Ų142105.8 Ų105.854%0.53651%0.508SS..Hα-helixtrans-69.2-44.8175.2-168.7-177.4-174.7-175.81.6112.9V214 E215 K216 E220 S221 L222V214-R218 WeakPolarHBondContact O-CB 3.42Å; V214-R218 PolarHBondContact O-N 3.13Å; E215-R218 WeakPolarHBondContact O-CB 3.45Å; E215-R218 PolarHBondContact O-N 3.1Å; E215-R218 IonicContact OE1-NH1 3.45Å; E215-R218 WeakPolarHBondContact OE2-CD 3.39Å; E215-R218 IonicContact OE2-NH1 2.58Å; K216-R218 PolarHBondContact O-N 3.33Å; R218-E220 VanDerWaalsContact C-N 3.34Å; R218-E220 PolarHBondContact O-N 3.48Å; R218-S221 WeakPolarHBondContact CA-OG 3.29Å; R218-S221 PolarHBondContact O-N 3.46Å; R218-S221 PolarHBondContact O-OG 3.04Å; R218-L222 HydrophobicContact CG-CD1 4.1Å; R218-L222 WeakPolarHBondContact O-CB 3.37Å; R218-L222 VanDerWaalsContact O-CG 3.28Å; R218-L222 WeakPolarHBondContact O-CG 3.4Å; R218-L222 PolarHBondContact O-N 3.35Å
219E92.7Very high93.1Very high132 Ų132106.4 Ų106.462%0.61751%0.508SS*.Hα-helixtrans-57.2-47174.5-176.4-176-175.100111E215 K216 L222 A223E215-E219 WeakPolarHBondContact O-CB 3.25Å; E215-E219 PolarHBondContact O-N 2.97Å; K216-E219 PolarHBondContact O-N 3.39Å; E219-L222 PolarHBondContact O-N 3.42Å; E219-A223 WeakPolarHBondContact O-CB 3.28Å; E219-A223 PolarHBondContact O-N 3.09Å
220E93.3Very high93.2Very high121 Ų121109.6 Ų109.657%0.56551%0.512SS*.Hα-helixtrans-64.3-46.9179.1-169.8179.1170.200112K216 R218 L222 A223 Q224K216-E220 WeakPolarHBondContact O-CB 3.42Å; K216-E220 PolarHBondContact O-N 2.89Å; R218-E220 VanDerWaalsContact C-N 3.34Å; R218-E220 PolarHBondContact O-N 3.48Å; E220-L222 VanDerWaalsContact C-N 3.35Å; E220-L222 PolarHBondContact O-N 2.85Å; E220-A223 WeakPolarHBondContact O-CB 3.49Å; E220-A223 PolarHBondContact O-N 3.26Å; E220-A223 VanDerWaalsContact O-N 3.15Å; E220-Q224 WeakPolarHBondContact O-CG 3.31Å; E220-Q224 PolarHBondContact O-N 3.02Å; E220-Q224 PolarHBondContact OE1-NE2 2.9Å
221S93.2Very high93.1Very high61 Ų61104.7 Ų104.743%0.42750%0.5SS..Hα-helixtrans-62.6-38.4176.656.50000113E217 R218 Q224 Q225E217-S221 WeakPolarHBondContact O-CB 3.47Å; E217-S221 PolarHBondContact O-N 3.2Å; E217-S221 PolarHBondContact O-OG 3.05Å; R218-S221 WeakPolarHBondContact CA-OG 3.29Å; R218-S221 PolarHBondContact O-N 3.46Å; R218-S221 PolarHBondContact O-OG 3.04Å; S221-Q224 PolarHBondContact O-N 2.92Å; S221-Q225 WeakPolarHBondContact O-CB 3.34Å; S221-Q225 PolarHBondContact O-N 3.49Å
222L94.7Very high92.9Very high90 Ų90105.3 Ų105.347%0.47150%0.502SS..Hα-helixtrans-67.7-36172.8-72.3171.3000112.1R218 E219 E220 K226R218-L222 HydrophobicContact CG-CD1 4.1Å; R218-L222 WeakPolarHBondContact O-CB 3.37Å; R218-L222 VanDerWaalsContact O-CG 3.28Å; R218-L222 WeakPolarHBondContact O-CG 3.4Å; R218-L222 PolarHBondContact O-N 3.35Å; E219-L222 PolarHBondContact O-N 3.42Å; E220-L222 VanDerWaalsContact C-N 3.35Å; E220-L222 PolarHBondContact O-N 2.85Å; L222-K226 WeakPolarHBondContact O-CB 3.46Å; L222-K226 PolarHBondContact O-N 3.04Å
223A92.1Very high92.8Very high57 Ų57105.3 Ų105.347%0.47150%0.502SS..Hα-helixtrans-66.4-43.617500000111.8E219 E220 K226 Q227E219-A223 WeakPolarHBondContact O-CB 3.28Å; E219-A223 PolarHBondContact O-N 3.09Å; E220-A223 WeakPolarHBondContact O-CB 3.49Å; E220-A223 PolarHBondContact O-N 3.26Å; E220-A223 VanDerWaalsContact O-N 3.15Å; A223-K226 PolarHBondContact O-N 3.35Å; A223-Q227 PolarHBondContact O-N 2.85Å
224Q91.3Very high92.5Very high107 Ų107104.4 Ų104.450%0.550%0.503SS..Hα-helixtrans-60.5-51.7173.1-69.4177.414.800110.7E220 S221 K226 Q227 E228E220-Q224 WeakPolarHBondContact O-CG 3.31Å; E220-Q224 PolarHBondContact O-N 3.02Å; E220-Q224 PolarHBondContact OE1-NE2 2.9Å; S221-Q224 PolarHBondContact O-N 2.92Å; Q224-K226 VanDerWaalsContact C-N 3.33Å; Q224-K226 PolarHBondContact O-N 2.87Å; Q224-Q227 PolarHBondContact O-N 3.36Å; Q224-E228 PolarHBondContact O-N 3.04Å
225Q94Very high92.3Very high96 Ų96105.9 Ų105.945%0.44951%0.505SS..Hα-helixtrans-58.8-41.5178.2-170.7-177.429.600112.3S221 Q227 E228 Q229S221-Q225 WeakPolarHBondContact O-CB 3.34Å; S221-Q225 PolarHBondContact O-N 3.49Å; Q225-Q227 VanDerWaalsContact C-N 3.33Å; Q225-Q227 PolarHBondContact O-N 3.08Å; Q225-E228 PolarHBondContact O-N 3.4Å; Q225-Q229 WeakPolarHBondContact O-CB 3.48Å; Q225-Q229 WeakPolarHBondContact O-CG 3.32Å; Q225-Q229 PolarHBondContact O-N 3.45Å
226K93.6Very high92.1Very high132 Ų132103.8 Ų103.857%0.57451%0.505SS*.Hα-helixtrans-62.8-38175.4-179.7179.4-178.1177.80112L222 A223 Q224 K230L222-K226 WeakPolarHBondContact O-CB 3.46Å; L222-K226 PolarHBondContact O-N 3.04Å; A223-K226 PolarHBondContact O-N 3.35Å; Q224-K226 VanDerWaalsContact C-N 3.33Å; Q224-K226 PolarHBondContact O-N 2.87Å; K226-K230 WeakPolarHBondContact O-CB 3.49Å; K226-K230 WeakPolarHBondContact O-CG 3.25Å; K226-K230 PolarHBondContact O-N 3.42Å
227Q91.4Very high91.7Very high96 Ų96103 Ų10345%0.44950%0.504SS..Hα-helixtrans-71.4-40.2176.1-171.558.438.600111.7A223 Q224 Q225 K230 N231A223-Q227 PolarHBondContact O-N 2.85Å; Q224-Q227 PolarHBondContact O-N 3.36Å; Q225-Q227 VanDerWaalsContact C-N 3.33Å; Q225-Q227 PolarHBondContact O-N 3.08Å; Q227-K230 PolarHBondContact O-N 3.35Å; Q227-N231 PolarHBondContact NE2-OD1 3.25Å; Q227-N231 WeakPolarHBondContact O-CB 3.43Å; Q227-N231 PolarHBondContact O-N 2.94Å; Q227-N231 PolarHBondContact O-ND2 2.84Å; Q227-N231 PolarHBondContact O-OD1 2.94Å
228E91Very high91.3Very high113 Ų113102.8 Ų102.853%0.52850%0.503SS..Hα-helixtrans-60.8-47.6173-71.3-177.1170.200112Q224 Q225 K230 N231 Q232Q224-E228 PolarHBondContact O-N 3.04Å; Q225-E228 PolarHBondContact O-N 3.4Å; E228-K230 PolarHBondContact O-N 3.39Å; E228-N231 WeakPolarHBondContact O-CB 3.28Å; E228-N231 PolarHBondContact O-N 2.99Å; E228-N231 VanDerWaalsContact O-N 3.16Å; E228-Q232 VanDerWaalsContact O-CG 3.32Å; E228-Q232 WeakPolarHBondContact O-CG 3.47Å; E228-Q232 PolarHBondContact O-N 2.93Å
229Q92.9Very high90.9Very high108 Ų108103 Ų10351%0.50550%0.504SS..Hα-helixtrans-61.5-41.8176.9-74.5176.6-3.900112.1Q225 N231 Q232 L233Q225-Q229 WeakPolarHBondContact O-CB 3.48Å; Q225-Q229 WeakPolarHBondContact O-CG 3.32Å; Q225-Q229 PolarHBondContact O-N 3.45Å; Q229-N231 PolarHBondContact O-N 3.48Å; Q229-Q232 PolarHBondContact O-N 3.21Å; Q229-L233 WeakPolarHBondContact O-CB 3.37Å; Q229-L233 PolarHBondContact O-N 3.41Å
230K93.2Very high90.5Very high121 Ų121101.6 Ų101.653%0.52650%0.499SS..Hα-helixtrans-59.7-44.5172-81.5-177.6171.6-167.60112.2K226 Q227 E228 Q232 L233 F234K226-K230 WeakPolarHBondContact O-CB 3.49Å; K226-K230 WeakPolarHBondContact O-CG 3.25Å; K226-K230 PolarHBondContact O-N 3.42Å; Q227-K230 PolarHBondContact O-N 3.35Å; E228-K230 PolarHBondContact O-N 3.39Å; K230-Q232 VanDerWaalsContact C-N 3.34Å; K230-L233 PolarHBondContact O-N 3.37Å; K230-F234 WeakPolarHBondContact O-CB 3.31Å; K230-F234 PolarHBondContact O-N 3.42Å
231N88.7Confident90Very high79 Ų7998.2 Ų98.242%0.42248%0.484SS..Hα-helixtrans-64.3-39.3177.9-67.5-14.4000111.5Q227 E228 Q229 Q235Q227-N231 PolarHBondContact NE2-OD1 3.25Å; Q227-N231 WeakPolarHBondContact O-CB 3.43Å; Q227-N231 PolarHBondContact O-N 2.94Å; Q227-N231 PolarHBondContact O-ND2 2.84Å; Q227-N231 PolarHBondContact O-OD1 2.94Å; E228-N231 WeakPolarHBondContact O-CB 3.28Å; E228-N231 PolarHBondContact O-N 2.99Å; E228-N231 VanDerWaalsContact O-N 3.16Å; Q229-N231 PolarHBondContact O-N 3.48Å; N231-Q235 VanDerWaalsContact O-CG 3.31Å; N231-Q235 WeakPolarHBondContact O-CG 3.2Å; N231-Q235 PolarHBondContact O-N 3.44Å
232Q91.1Very high89.5Confident123 Ų123101.7 Ų101.758%0.57549%0.488SS*.Hα-helixtrans-66.4-44.9175.8-71.517418.500112E228 Q229 K230 Q235 A236E228-Q232 VanDerWaalsContact O-CG 3.32Å; E228-Q232 WeakPolarHBondContact O-CG 3.47Å; E228-Q232 PolarHBondContact O-N 2.93Å; Q229-Q232 PolarHBondContact O-N 3.21Å; K230-Q232 VanDerWaalsContact C-N 3.34Å; Q232-Q235 PolarHBondContact O-N 3.3Å; Q232-A236 PolarHBondContact O-N 3.03Å
233L91.8Very high88.8Confident106 Ų106100.7 Ų100.756%0.55549%0.488SS*.Hα-helixtrans-58.3-51.6175.1-174.1105.9000110.8Q229 K230 Q235 A236 E237Q229-L233 WeakPolarHBondContact O-CB 3.37Å; Q229-L233 PolarHBondContact O-N 3.41Å; K230-L233 PolarHBondContact O-N 3.37Å; L233-Q235 VanDerWaalsContact C-N 3.31Å; L233-Q235 PolarHBondContact O-N 3.03Å; L233-A236 WeakPolarHBondContact O-CA 3.39Å; L233-A236 WeakPolarHBondContact O-CB 3.36Å; L233-A236 PolarHBondContact O-N 2.87Å; L233-E237 WeakPolarHBondContact CD2-OE1 3.38Å; L233-E237 WeakPolarHBondContact O-CG 3.34Å; L233-E237 PolarHBondContact O-N 3.49Å
234F89.9Confident88.4Confident127 Ų127102.5 Ų102.556%0.55749%0.487SS*.Hα-helixtrans-57.4-41.8177.3177.5-100.5000112.5K230 A236 E237 Q238K230-F234 WeakPolarHBondContact O-CB 3.31Å; K230-F234 PolarHBondContact O-N 3.42Å; F234-A236 VanDerWaalsContact C-N 3.35Å; F234-A236 PolarHBondContact O-N 3.28Å; F234-E237 PolarHBondContact O-N 2.86Å; F234-Q238 WeakPolarHBondContact O-CB 3.42Å; F234-Q238 PolarHBondContact O-N 2.98Å
235Q90.7Very high87.9Confident95 Ų95100.4 Ų100.444%0.44448%0.477SS..Hα-helixtrans-64.7-36.5174.1-75.9-178.934.500112.9N231 Q232 L233 R239N231-Q235 VanDerWaalsContact O-CG 3.31Å; N231-Q235 WeakPolarHBondContact O-CG 3.2Å; N231-Q235 PolarHBondContact O-N 3.44Å; Q232-Q235 PolarHBondContact O-N 3.3Å; L233-Q235 VanDerWaalsContact C-N 3.31Å; L233-Q235 PolarHBondContact O-N 3.03Å; Q235-R239 VanDerWaalsContact O-CG 3.26Å; Q235-R239 WeakPolarHBondContact O-CG 3.37Å; Q235-R239 PolarHBondContact O-N 2.99Å
236A87.9Confident87.3Confident57 Ų57101.6 Ų101.647%0.47148%0.482SS..Hα-helixtrans-69.3-44.817700000111.4Q232 L233 F234 Q238 R239 L240Q232-A236 PolarHBondContact O-N 3.03Å; L233-A236 WeakPolarHBondContact O-CA 3.39Å; L233-A236 WeakPolarHBondContact O-CB 3.36Å; L233-A236 PolarHBondContact O-N 2.87Å; F234-A236 VanDerWaalsContact C-N 3.35Å; F234-A236 PolarHBondContact O-N 3.28Å; A236-Q238 PolarHBondContact O-N 2.94Å; A236-R239 WeakPolarHBondContact O-CB 3.49Å; A236-R239 PolarHBondContact O-N 3.1Å; A236-R239 VanDerWaalsContact O-N 3.16Å; A236-L240 PolarHBondContact O-N 3.49Å
237E86Confident86.6Confident107 Ų10799.4 Ų99.450%0.548%0.477SS..Hα-helixtrans-58.8-44.5173.1-70.2174.4161.100111.5L233 F234 R239 L240 Q241L233-E237 WeakPolarHBondContact CD2-OE1 3.38Å; L233-E237 WeakPolarHBondContact O-CG 3.34Å; L233-E237 PolarHBondContact O-N 3.49Å; F234-E237 PolarHBondContact O-N 2.86Å; E237-R239 VanDerWaalsContact C-N 3.32Å; E237-R239 PolarHBondContact O-N 3.46Å; E237-L240 PolarHBondContact O-N 2.86Å; E237-Q241 WeakPolarHBondContact O-CB 3.32Å; E237-Q241 PolarHBondContact O-N 2.89Å
238Q83.2Confident86.1Confident89 Ų8998 Ų9842%0.41647%0.469SS..Hα-helixtrans-68.7-27.4176.9-161.7-165.444.800113F234 A236 R242F234-Q238 WeakPolarHBondContact O-CB 3.42Å; F234-Q238 PolarHBondContact O-N 2.98Å; A236-Q238 PolarHBondContact O-N 2.94Å; Q238-R242 WeakPolarHBondContact O-CG 3.31Å; Q238-R242 PolarHBondContact O-N 3.43Å; Q238-R242 PolarHBondContact O-NE 3.34Å
239R87.2Confident85.5Confident147 Ų14795.2 Ų95.256%0.55546%0.457SS*.Hα-helixtrans-70.6-47169.2-73.5172.7-154.4-162.97.6110.5Q235 A236 E237 Q241 R242 S243Q235-R239 VanDerWaalsContact O-CG 3.26Å; Q235-R239 WeakPolarHBondContact O-CG 3.37Å; Q235-R239 PolarHBondContact O-N 2.99Å; A236-R239 WeakPolarHBondContact O-CB 3.49Å; A236-R239 PolarHBondContact O-N 3.1Å; A236-R239 VanDerWaalsContact O-N 3.16Å; E237-R239 VanDerWaalsContact C-N 3.32Å; E237-R239 PolarHBondContact O-N 3.46Å; R239-Q241 PolarHBondContact O-N 3.41Å; R239-R242 PolarHBondContact O-N 2.73Å; R239-S243 PolarHBondContact O-N 3.04Å; R239-S243 PolarHBondContact O-OG 3.37Å
240L83.2Confident84.8Confident101 Ų10196.1 Ų96.153%0.52947%0.465SS..Hα-helixtrans-58.1-47177.5-179.563.8000111.4A236 E237 R242 S243 Q244A236-L240 PolarHBondContact O-N 3.49Å; E237-L240 PolarHBondContact O-N 2.86Å; L240-R242 VanDerWaalsContact C-N 3.32Å; L240-R242 PolarHBondContact O-N 3.01Å; L240-S243 PolarHBondContact O-N 3.4Å; L240-Q244 HydrophobicContact CD1-CG 4.42Å; L240-Q244 WeakPolarHBondContact O-CB 3.42Å; L240-Q244 WeakPolarHBondContact O-CG 3.39Å; L240-Q244 PolarHBondContact O-N 3.29Å
241Q83.2Confident84.1Confident50 Ų5099 Ų9923%0.23447%0.473CS..Hα-helixtrans-60.7-40.2177.4-170.4172.414.500111.8E237 R239 Q244 Q245E237-Q241 WeakPolarHBondContact O-CB 3.32Å; E237-Q241 PolarHBondContact O-N 2.89Å; R239-Q241 PolarHBondContact O-N 3.41Å; Q241-Q244 PolarHBondContact O-N 2.8Å; Q241-Q245 WeakPolarHBondContact O-CB 3.35Å; Q241-Q245 PolarHBondContact O-N 3.3Å
242R82.2Confident83.4Confident135 Ų135100.3 Ų100.351%0.50948%0.476SS..Hα-helixtrans-64.7-43.4174.5-79-179.2-72.1174.8-7.5112.7Q238 R239 L240 Q244 Q245 Q246Q238-R242 WeakPolarHBondContact O-CG 3.31Å; Q238-R242 PolarHBondContact O-N 3.43Å; Q238-R242 PolarHBondContact O-NE 3.34Å; R239-R242 PolarHBondContact O-N 2.73Å; L240-R242 VanDerWaalsContact C-N 3.32Å; L240-R242 PolarHBondContact O-N 3.01Å; R242-Q244 VanDerWaalsContact C-N 3.34Å; R242-Q245 PolarHBondContact O-N 2.75Å; R242-Q246 WeakPolarHBondContact O-CG 3.49Å; R242-Q246 PolarHBondContact O-N 2.85Å
243S81.1Confident82.2Confident68 Ų6895.9 Ų95.948%0.47646%0.461SS..Hα-helixtrans-67.2-34.7176.4-63.80000112.5R239 L240 L247R239-S243 PolarHBondContact O-N 3.04Å; R239-S243 PolarHBondContact O-OG 3.37Å; L240-S243 PolarHBondContact O-N 3.4Å; S243-L247 VanDerWaalsContact O-CB 3.25Å; S243-L247 WeakPolarHBondContact O-CB 3.08Å; S243-L247 PolarHBondContact O-N 2.86Å
244Q82.1Confident81.2Confident96 Ų9695.1 Ų95.145%0.44947%0.47SS..Hα-helixtrans-65.3-43.2171.9-74.4174.2-9.300111.7L240 Q241 R242 L247 K248L240-Q244 HydrophobicContact CD1-CG 4.42Å; L240-Q244 WeakPolarHBondContact O-CB 3.42Å; L240-Q244 WeakPolarHBondContact O-CG 3.39Å; L240-Q244 PolarHBondContact O-N 3.29Å; Q241-Q244 PolarHBondContact O-N 2.8Å; R242-Q244 VanDerWaalsContact C-N 3.34Å; Q244-L247 PolarHBondContact O-N 3.36Å; Q244-K248 WeakPolarHBondContact O-CB 3.4Å; Q244-K248 PolarHBondContact O-N 2.97Å
245Q81.2Confident80.2Confident63 Ų6392.8 Ų92.829%0.29447%0.474SS..Hα-helixtrans-61.7-51.8175.3-173.259.84000111Q241 R242 L247 K248 D249Q241-Q245 WeakPolarHBondContact O-CB 3.35Å; Q241-Q245 PolarHBondContact O-N 3.3Å; R242-Q245 PolarHBondContact O-N 2.75Å; Q245-L247 PolarHBondContact O-N 2.8Å; Q245-K248 CarbonylContact O-C 3.55Å; Q245-K248 WeakPolarHBondContact O-CA 3.48Å; Q245-K248 WeakPolarHBondContact O-CB 3.05Å; Q245-K248 PolarHBondContact O-N 2.81Å; Q245-D249 WeakPolarHBondContact CG-OD2 3.22Å; Q245-D249 PolarHBondContact NE2-OD1 2.79Å; Q245-D249 PolarHBondContact O-N 3.15Å; Q245-D249 VanDerWaalsContact O-OD2 3.1Å
246Q81.6Confident78.5Confident121 Ų12193.9 Ų93.957%0.56548%0.483SS*.Hα-helixtrans-53.9-39.6175.4-74.2175.1-25.900112.6R242 D249 L250R242-Q246 WeakPolarHBondContact O-CG 3.49Å; R242-Q246 PolarHBondContact O-N 2.85Å; Q246-D249 PolarHBondContact O-N 3.39Å; Q246-L250 VanDerWaalsContact O-CB 3.32Å; Q246-L250 WeakPolarHBondContact O-CB 3.38Å; Q246-L250 WeakPolarHBondContact O-CG 3.36Å; Q246-L250 PolarHBondContact O-N 3.37Å
247L80.3Confident77.2Confident86 Ų8694.7 Ų94.745%0.4549%0.49SS..Hα-helixtrans-71.2-33.1177.3-173.8150.4000112.4S243 Q244 Q245 R251S243-L247 VanDerWaalsContact O-CB 3.25Å; S243-L247 WeakPolarHBondContact O-CB 3.08Å; S243-L247 PolarHBondContact O-N 2.86Å; Q244-L247 PolarHBondContact O-N 3.36Å; Q245-L247 PolarHBondContact O-N 2.8Å; L247-R251 VanDerWaalsContact CD2-CZ 3.43Å; L247-R251 WeakPolarHBondContact O-CB 3.23Å; L247-R251 VanDerWaalsContact O-CG 3.27Å; L247-R251 WeakPolarHBondContact O-CG 3.16Å; L247-R251 PolarHBondContact O-N 3.09Å
248K80.9Confident76.5Confident66 Ų6697.1 Ų97.129%0.28750%0.499SS..Hα-helixtrans-68.7-44.4171.5-176.2179.3171.7-176.60111.1Q244 Q245 R251 Q252 D373Q244-K248 WeakPolarHBondContact O-CB 3.4Å; Q244-K248 PolarHBondContact O-N 2.97Å; Q245-K248 CarbonylContact O-C 3.55Å; Q245-K248 WeakPolarHBondContact O-CA 3.48Å; Q245-K248 WeakPolarHBondContact O-CB 3.05Å; Q245-K248 PolarHBondContact O-N 2.81Å; K248-R251 PolarHBondContact O-N 3.1Å; K248-Q252 PolarHBondContact O-N 2.69Å; K248-D373 IonicContact NZ-OD1 2.94Å; K248-D373 PolarHBondContact NZ-OD1 2.92Å; K248-D373 IonicContact NZ-OD2 2.62Å; K248-D373 PolarHBondContact NZ-OD2 3.22Å
249D77Confident76.1Confident54 Ų5497.4 Ų97.429%0.28951%0.508SS..Hα-helixtrans-63.3-43.8177-57.8-32000111Q245 Q246 R251 Q252 A253Q245-D249 WeakPolarHBondContact CG-OD2 3.22Å; Q245-D249 PolarHBondContact NE2-OD1 2.79Å; Q245-D249 PolarHBondContact O-N 3.15Å; Q245-D249 VanDerWaalsContact O-OD2 3.1Å; Q246-D249 PolarHBondContact O-N 3.39Å; D249-R251 VanDerWaalsContact C-N 3.34Å; D249-R251 PolarHBondContact O-N 3.15Å; D249-Q252 PolarHBondContact O-N 2.86Å; D249-A253 VanDerWaalsContact O-CB 3.25Å; D249-A253 WeakPolarHBondContact O-CB 3.36Å; D249-A253 PolarHBondContact O-N 2.96Å
250L77.6Confident75.7Confident128 Ų12897.3 Ų97.367%0.6751%0.514SS*.Hα-helixtrans-62.5-38.2173.4-75.9168.4000112.4Q246 A254Q246-L250 VanDerWaalsContact O-CB 3.32Å; Q246-L250 WeakPolarHBondContact O-CB 3.38Å; Q246-L250 WeakPolarHBondContact O-CG 3.36Å; Q246-L250 PolarHBondContact O-N 3.37Å; L250-A254 WeakPolarHBondContact O-CB 3.23Å; L250-A254 PolarHBondContact O-N 3.1Å
251R78.9Confident75.5Confident180 Ų18094.5 Ų94.568%0.67950%0.503SS*.Hα-helixtrans-68.6-38.3174.4-78.6175.2176.1174.50.3112.4L247 K248 D249 A254 A255L247-R251 VanDerWaalsContact CD2-CZ 3.43Å; L247-R251 WeakPolarHBondContact O-CB 3.23Å; L247-R251 VanDerWaalsContact O-CG 3.27Å; L247-R251 WeakPolarHBondContact O-CG 3.16Å; L247-R251 PolarHBondContact O-N 3.09Å; K248-R251 PolarHBondContact O-N 3.1Å; D249-R251 VanDerWaalsContact C-N 3.34Å; D249-R251 PolarHBondContact O-N 3.15Å; R251-A254 PolarHBondContact O-N 2.79Å; R251-A255 PolarHBondContact O-N 3.39Å; R251-A255 VanDerWaalsContact O-N 3.15Å
252Q73.7Confident75.2Confident107 Ų10795.6 Ų95.650%0.551%0.51SS..Hα-helixtrans-69.5-40.8174-76.4-173.1-21.700111.7K248 D249 A254 A255 D256K248-Q252 PolarHBondContact O-N 2.69Å; D249-Q252 PolarHBondContact O-N 2.86Å; Q252-A254 VanDerWaalsContact C-N 3.27Å; Q252-A254 PolarHBondContact O-N 3.36Å; Q252-A255 PolarHBondContact O-N 2.79Å; Q252-D256 PolarHBondContact O-N 3.46Å
253A67.6Low75.2Confident30 Ų3094.9 Ų94.925%0.24851%0.514CS..Hα-helixtrans-63.7-30173.700000113.2D249 L262D249-A253 VanDerWaalsContact O-CB 3.25Å; D249-A253 WeakPolarHBondContact O-CB 3.36Å; D249-A253 PolarHBondContact O-N 2.96Å; A253-L262 HydrophobicContact CB-CD1 3.64Å
254A69Low75.3Confident91 Ų9198.1 Ų98.175%0.75252%0.519SS*.Hα-helixtrans-77.4-22.5172.300000113.4L250 R251 Q252L250-A254 WeakPolarHBondContact O-CB 3.23Å; L250-A254 PolarHBondContact O-N 3.1Å; R251-A254 PolarHBondContact O-N 2.79Å; Q252-A254 VanDerWaalsContact C-N 3.27Å; Q252-A254 PolarHBondContact O-N 3.36Å
255A69.1Low75.3Confident78 Ų78100.3 Ų100.365%0.64552%0.523SS*.Hα-helixtrans-89.2-38.4178.500000112.6R251 Q252R251-A255 PolarHBondContact O-N 3.39Å; R251-A255 VanDerWaalsContact O-N 3.15Å; Q252-A255 PolarHBondContact O-N 2.79Å
256D55.4Low75.3Confident118 Ų118101.2 Ų101.263%0.63153%0.53SS*.SBendtrans-125.5116.1-175.7-88.3-44.9000113.7Q252Q252-D256 PolarHBondContact O-N 3.46Å
257A60Low75.6Confident74 Ų74100.1 Ų100.161%0.61253%0.525SS*.  trans85.9166.6144.700000120.9S261A257-S261 WeakPolarHBondContact CB-OG 3.13Å
258K72.6Confident75.9Confident158 Ų158102 Ų10269%0.68753%0.531SS*.  trans-67.2149.9-163.4-59.5168.2-178.5176.40112.1E260 S261 L262K258-E260 PolarHBondContact O-N 3.42Å; K258-S261 PolarHBondContact N-OG 2.95Å; K258-S261 PolarHBondContact O-N 3.31Å; K258-S261 PolarHBondContact O-OG 3.49Å; K258-L262 PolarHBondContact O-N 2.92Å
259P74.4Confident76Confident94 Ų94102.4 Ų102.461%0.6153%0.534SS*.Hα-helixtrans-50.4-37-179.4-29.435.3000115S261 L262 M263P259-S261 VanDerWaalsContact C-N 3.3Å; P259-S261 PolarHBondContact O-N 2.97Å; P259-L262 WeakPolarHBondContact O-CB 3.4Å; P259-L262 PolarHBondContact O-N 3.12Å; P259-M263 WeakPolarHBondContact O-CG 3.24Å; P259-M263 PolarHBondContact O-N 3.41Å
260E79.9Confident76.5Confident146 Ų146105.2 Ų105.268%0.68255%0.548SS*.Hα-helixtrans-60.3-36.4177.1-61.7176.216900113.4K258 K264K258-E260 PolarHBondContact O-N 3.42Å; E260-K264 WeakPolarHBondContact O-CG 3.48Å; E260-K264 PolarHBondContact O-N 3.49Å; E260-K264 VanDerWaalsContact O-N 3.14Å
261S78.6Confident77Confident41 Ų41105.2 Ų105.229%0.28754%0.542SS..Hα-helixtrans-75-32.4178.8650000112.1A257 K258 P259 R265A257-S261 WeakPolarHBondContact CB-OG 3.13Å; K258-S261 PolarHBondContact N-OG 2.95Å; K258-S261 PolarHBondContact O-N 3.31Å; K258-S261 PolarHBondContact O-OG 3.49Å; P259-S261 VanDerWaalsContact C-N 3.3Å; P259-S261 PolarHBondContact O-N 2.97Å; S261-R265 PolarHBondContact O-N 3.04Å
262L76.5Confident77.2Confident74 Ų7498.4 Ų98.439%0.38752%0.518SS..Hα-helixtrans-67.4-47172-175.367.2000111.1A253 K258 P259 K264 R265 L266A253-L262 HydrophobicContact CB-CD1 3.64Å; K258-L262 PolarHBondContact O-N 2.92Å; P259-L262 WeakPolarHBondContact O-CB 3.4Å; P259-L262 PolarHBondContact O-N 3.12Å; L262-K264 VanDerWaalsContact C-N 3.35Å; L262-K264 PolarHBondContact O-N 2.81Å; L262-R265 PolarHBondContact O-N 3.18Å; L262-L266 HydrophobicContact CG-CD1 4.09Å; L262-L266 WeakPolarHBondContact O-CG 3.4Å; L262-L266 PolarHBondContact O-N 3.32Å
263M81.1Confident77.8Confident119 Ų11996.9 Ų96.959%0.58651%0.513SS*.Hα-helixtrans-58.9-44177.4-70.3-173.6-161.400111.9P259 R265 L266 E267P259-M263 WeakPolarHBondContact O-CG 3.24Å; P259-M263 PolarHBondContact O-N 3.41Å; M263-R265 PolarHBondContact O-N 2.86Å; M263-L266 PolarHBondContact O-N 2.92Å; M263-E267 WeakPolarHBondContact O-CB 2.86Å; M263-E267 WeakPolarHBondContact O-CG 3.46Å; M263-E267 PolarHBondContact O-N 3.34Å
264K85Confident78.8Confident136 Ų13698.9 Ų98.959%0.59153%0.525SS*.Hα-helixtrans-60.1-44.8177.5-76.4179.7178.9-179.60113E260 L262 E267 E268E260-K264 WeakPolarHBondContact O-CG 3.48Å; E260-K264 PolarHBondContact O-N 3.49Å; E260-K264 VanDerWaalsContact O-N 3.14Å; L262-K264 VanDerWaalsContact C-N 3.35Å; L262-K264 PolarHBondContact O-N 2.81Å; K264-E267 PolarHBondContact O-N 3.44Å; K264-E268 WeakPolarHBondContact O-CG 3.47Å; K264-E268 PolarHBondContact O-N 2.93Å
265R81.6Confident79.7Confident142 Ų14295.7 Ų95.754%0.53649%0.494SS..Hα-helixtrans-61.6-46.8175.4-71.9179.2-179.4166.51.4111.7S261 L262 M263 E267 E268 E269S261-R265 PolarHBondContact O-N 3.04Å; L262-R265 PolarHBondContact O-N 3.18Å; M263-R265 PolarHBondContact O-N 2.86Å; R265-E267 VanDerWaalsContact C-N 3.34Å; R265-E267 PolarHBondContact O-N 3.33Å; R265-E268 PolarHBondContact O-N 2.96Å; R265-E269 WeakPolarHBondContact O-CG 3.23Å; R265-E269 PolarHBondContact O-N 3.29Å
266L81.4Confident80.4Confident82 Ų8293.1 Ų93.143%0.42947%0.469SS..Hα-helixtrans-62.9-38.9177.8-71.1172.1000112.2L262 M263 E269 I270L262-L266 HydrophobicContact CG-CD1 4.09Å; L262-L266 WeakPolarHBondContact O-CG 3.4Å; L262-L266 PolarHBondContact O-N 3.32Å; M263-L266 PolarHBondContact O-N 2.92Å; L266-E269 PolarHBondContact O-N 2.88Å; L266-I270 WeakPolarHBondContact O-CB 3.4Å; L266-I270 WeakPolarHBondContact O-CD1 3.37Å; L266-I270 WeakPolarHBondContact O-CG1 3.49Å; L266-I270 PolarHBondContact O-N 3.46Å
267E87.7Confident81.9Confident99 Ų9992.4 Ų92.446%0.46347%0.469SS..Hα-helixtrans-62.8-42173.4-81.9-173-148.600112.7M263 K264 R265 I270 K271M263-E267 WeakPolarHBondContact O-CB 2.86Å; M263-E267 WeakPolarHBondContact O-CG 3.46Å; M263-E267 PolarHBondContact O-N 3.34Å; K264-E267 PolarHBondContact O-N 3.44Å; R265-E267 VanDerWaalsContact C-N 3.34Å; R265-E267 PolarHBondContact O-N 3.33Å; E267-I270 PolarHBondContact O-N 2.94Å; E267-K271 WeakPolarHBondContact O-CB 3.34Å; E267-K271 VanDerWaalsContact O-CD 3.28Å; E267-K271 WeakPolarHBondContact O-CD 3.46Å; E267-K271 WeakPolarHBondContact O-CG 3.41Å; E267-K271 PolarHBondContact O-N 2.91Å; E267-K271 IonicContact OE2-NZ 2.66Å; E267-K271 PolarHBondContact OE2-NZ 2.83Å
268E85.7Confident83.3Confident126 Ų12692.8 Ų92.859%0.58947%0.467SS*.Hα-helixtrans-64.1-43.3176.5-74.1167.3-171.800111.2K264 R265 K271 F272K264-E268 WeakPolarHBondContact O-CG 3.47Å; K264-E268 PolarHBondContact O-N 2.93Å; R265-E268 PolarHBondContact O-N 2.96Å; E268-K271 PolarHBondContact O-N 2.77Å; E268-F272 WeakPolarHBondContact O-CB 3.35Å; E268-F272 PolarHBondContact O-N 3.03Å
269E82.8Confident83.8Confident73 Ų7387.6 Ų87.634%0.34145%0.447SS..Hα-helixtrans-64.8-42174.1-71.5-168.5155.300113.1R265 L266 F272 N273 R366R265-E269 WeakPolarHBondContact O-CG 3.23Å; R265-E269 PolarHBondContact O-N 3.29Å; L266-E269 PolarHBondContact O-N 2.88Å; E269-F272 PolarHBondContact O-N 2.94Å; E269-N273 VanDerWaalsContact O-CB 3.26Å; E269-N273 WeakPolarHBondContact O-CB 3.28Å; E269-N273 PolarHBondContact O-N 3.23Å; E269-N273 PolarHBondContact O-ND2 3.49Å; E269-R366 IonicContact OE1-NH2 2.69Å
270I88.6Confident84.3Confident114 Ų11483.9 Ų83.959%0.58542%0.421SS*.Hα-helixtrans-63.6-42.7175.7-71.8164.6000110.4L266 E267 S274L266-I270 WeakPolarHBondContact O-CB 3.4Å; L266-I270 WeakPolarHBondContact O-CD1 3.37Å; L266-I270 WeakPolarHBondContact O-CG1 3.49Å; L266-I270 PolarHBondContact O-N 3.46Å; E267-I270 PolarHBondContact O-N 2.94Å; I270-S274 WeakPolarHBondContact O-CB 3.47Å; I270-S274 PolarHBondContact O-N 2.94Å
271K87.9Confident84.6Confident127 Ų12780.8 Ų80.855%0.55241%0.409SS*.Hα-helixtrans-62.1-43175.7-72.4160.5-164.3161.80111.3E267 E268 Y275E267-K271 WeakPolarHBondContact O-CB 3.34Å; E267-K271 VanDerWaalsContact O-CD 3.28Å; E267-K271 WeakPolarHBondContact O-CD 3.46Å; E267-K271 WeakPolarHBondContact O-CG 3.41Å; E267-K271 PolarHBondContact O-N 2.91Å; E267-K271 IonicContact OE2-NZ 2.66Å; E267-K271 PolarHBondContact OE2-NZ 2.83Å; E268-K271 PolarHBondContact O-N 2.77Å; K271-Y275 PolarHBondContact O-N 3.49Å; K271-Y275 VanDerWaalsContact O-N 3.15Å
272F83.8Confident85.2Confident37 Ų3781 Ų8116%0.16241%0.409CS..Hα-helixtrans-66.3-50.9176.1178.5-96.9000112.4E268 E269 S274 Y275 M276 A359 L362 R366E268-F272 WeakPolarHBondContact O-CB 3.35Å; E268-F272 PolarHBondContact O-N 3.03Å; E269-F272 PolarHBondContact O-N 2.94Å; F272-S274 VanDerWaalsContact C-N 3.28Å; F272-S274 PolarHBondContact O-N 3.36Å; F272-Y275 WeakPolarHBondContact O-CB 3.49Å; F272-Y275 PolarHBondContact O-N 3.44Å; F272-Y275 VanDerWaalsContact O-N 3.08Å; F272-M276 HydrophobicContact CD1-CG 3.98Å; F272-M276 HydrophobicContact CE1-CG 3.45Å; F272-M276 VanDerWaalsContact CE1-CG 3.45Å; F272-M276 HydrophobicContact CE1-SD 4.15Å; F272-M276 HydrophobicContact CE2-CG 4.14Å; F272-M276 HydrophobicContact CE2-SD 4.16Å; F272-M276 HydrophobicContact CZ-CG 3.55Å; F272-M276 HydrophobicContact CZ-SD 3.64Å; F272-M276 WeakPolarHBondContact O-CG 3.4Å; F272-M276 PolarHBondContact O-N 3.09Å; F272-A359 HydrophobicContact CE2-CB 4.39Å; F272-L362 HydrophobicContact CD2-CD2 3.78Å; F272-L362 HydrophobicContact CE2-CD2 3.68Å; F272-L362 HydrophobicContact CG-CD2 4.38Å; F272-L362 HydrophobicContact CZ-CD2 4.18Å; F272-R366 VanDerWaalsContact CE1-NH1 3.34Å
273N85.5Confident85.7Confident76 Ų7682.8 Ų82.841%0.40641%0.414SS..Hα-helixtrans-62.2-37.5-179.9-69.8-24.4000111.4E269 M276 V277E269-N273 VanDerWaalsContact O-CB 3.26Å; E269-N273 WeakPolarHBondContact O-CB 3.28Å; E269-N273 PolarHBondContact O-N 3.23Å; E269-N273 PolarHBondContact O-ND2 3.49Å; N273-M276 PolarHBondContact O-N 3.3Å; N273-V277 WeakPolarHBondContact O-CB 3.43Å; N273-V277 WeakPolarHBondContact O-CG2 3.45Å; N273-V277 PolarHBondContact O-N 3.3Å
274S89.1Confident86Confident71 Ų7181.3 Ų81.350%0.49741%0.405SS..Hα-helixtrans-59.7-45.6172.1-178.90000111.7I270 F272 V277 S278I270-S274 WeakPolarHBondContact O-CB 3.47Å; I270-S274 PolarHBondContact O-N 2.94Å; F272-S274 VanDerWaalsContact C-N 3.28Å; F272-S274 PolarHBondContact O-N 3.36Å; S274-V277 PolarHBondContact O-N 2.82Å; S274-S278 VanDerWaalsContact O-CB 3.26Å; S274-S278 WeakPolarHBondContact O-CB 3.5Å; S274-S278 PolarHBondContact O-N 3.46Å; S274-S278 PolarHBondContact O-OG 2.75Å
275Y86.4Confident86.1Confident24 Ų2479 Ų799%0.09440%0.399CS..Hα-helixtrans-63.4-42.7174.6168.6-121000112.8K271 F272 V277 D279 K280 K355 A359K271-Y275 PolarHBondContact O-N 3.49Å; K271-Y275 VanDerWaalsContact O-N 3.15Å; F272-Y275 WeakPolarHBondContact O-CB 3.49Å; F272-Y275 PolarHBondContact O-N 3.44Å; F272-Y275 VanDerWaalsContact O-N 3.08Å; Y275-V277 PolarHBondContact O-N 3.43Å; Y275-D279 HydrophobicContact CD2-CB 3.66Å; Y275-D279 HydrophobicContact CE2-CB 3.65Å; Y275-D279 VanDerWaalsContact CE2-OD2 3.31Å; Y275-D279 WeakPolarHBondContact CE2-OD2 3.36Å; Y275-D279 WeakPolarHBondContact O-CB 3.47Å; Y275-D279 PolarHBondContact O-N 2.82Å; Y275-K280 PolarHBondContact O-N 3.15Å; Y275-K355 HydrophobicContact CD2-CD 4.41Å; Y275-K355 VanDerWaalsContact CD2-CE 3.46Å; Y275-K355 HydrophobicContact CE1-CD 4.22Å; Y275-K355 HydrophobicContact CE1-CG 4.1Å; Y275-K355 HydrophobicContact CE2-CD 3.82Å; Y275-A359 HydrophobicContact CE1-CB 4.01Å
276M83.8Confident86.5Confident24 Ų2475.5 Ų75.512%0.11839%0.391CS..Iπ-helixtrans-60.4-45.1176.7-69.4-62.6-69.500111.9F272 N273 K280 L281F272-M276 HydrophobicContact CD1-CG 3.98Å; F272-M276 HydrophobicContact CE1-CG 3.45Å; F272-M276 VanDerWaalsContact CE1-CG 3.45Å; F272-M276 HydrophobicContact CE1-SD 4.15Å; F272-M276 HydrophobicContact CE2-CG 4.14Å; F272-M276 HydrophobicContact CE2-SD 4.16Å; F272-M276 HydrophobicContact CZ-CG 3.55Å; F272-M276 HydrophobicContact CZ-SD 3.64Å; F272-M276 WeakPolarHBondContact O-CG 3.4Å; F272-M276 PolarHBondContact O-N 3.09Å; N273-M276 PolarHBondContact O-N 3.3Å; M276-K280 HydrophobicContact CE-CD 4.01Å; M276-K280 HydrophobicContact SD-CB 4.14Å; M276-K280 HydrophobicContact SD-CD 3.83Å; M276-K280 HydrophobicContact SD-CG 4.44Å; M276-L281 HydrophobicContact CB-CD1 4.25Å; M276-L281 HydrophobicContact CE-CD2 4.22Å; M276-L281 HydrophobicContact CE-CG 4.2Å; M276-L281 VanDerWaalsContact O-CB 3.24Å; M276-L281 WeakPolarHBondContact O-CB 3.31Å; M276-L281 VanDerWaalsContact O-CG 3.31Å; M276-L281 WeakPolarHBondContact O-CG 3.16Å; M276-L281 PolarHBondContact O-N 3.44Å
277V88.6Confident86.9Confident104 Ų10474.7 Ų74.763%0.6339%0.392SS*.Iπ-helixtrans-77.2-34.2-177.2172.60000112.9N273 S274 Y275 P282N273-V277 WeakPolarHBondContact O-CB 3.43Å; N273-V277 WeakPolarHBondContact O-CG2 3.45Å; N273-V277 PolarHBondContact O-N 3.3Å; S274-V277 PolarHBondContact O-N 2.82Å; Y275-V277 PolarHBondContact O-N 3.43Å; V277-P282 WeakPolarHBondContact O-CD 3.25Å; V277-P282 WeakPolarHBondContact O-CG 3.38Å
278S88.3Confident87Confident82 Ų8277.3 Ų77.357%0.57340%0.402SS*.Iπ-helixtrans-87-26.5-177.459.40000114.5S274S274-S278 VanDerWaalsContact O-CB 3.26Å; S274-S278 WeakPolarHBondContact O-CB 3.5Å; S274-S278 PolarHBondContact O-N 3.46Å; S274-S278 PolarHBondContact O-OG 2.75Å
279D83.9Confident87.2Confident48 Ų4877.9 Ų77.926%0.25740%0.399SS..Iπ-helixtrans-129.3-61.7-167.3-1584.9000113Y275 K283Y275-D279 HydrophobicContact CD2-CB 3.66Å; Y275-D279 HydrophobicContact CE2-CB 3.65Å; Y275-D279 VanDerWaalsContact CE2-OD2 3.31Å; Y275-D279 WeakPolarHBondContact CE2-OD2 3.36Å; Y275-D279 WeakPolarHBondContact O-CB 3.47Å; Y275-D279 PolarHBondContact O-N 2.82Å; D279-K283 WeakPolarHBondContact O-CB 3.34Å; D279-K283 WeakPolarHBondContact O-CD 3.41Å; D279-K283 VanDerWaalsContact O-CG 3.27Å; D279-K283 WeakPolarHBondContact O-CG 3.46Å; D279-K283 PolarHBondContact O-N 3.5Å; D279-K283 WeakPolarHBondContact OD1-CE 3.5Å; D279-K283 IonicContact OD1-NZ 3.93Å; D279-K283 PolarHBondContact OD1-NZ 3.08Å; D279-K283 IonicContact OD2-NZ 3.21Å
280K83.8Confident87.7Confident16 Ų1680.6 Ų80.67%0.0741%0.406CS..Iπ-helixtrans-68.2-58.7-173.4-171.8173.2176.7-176.50112.7Y275 M276 K283 E284Y275-K280 PolarHBondContact O-N 3.15Å; M276-K280 HydrophobicContact CE-CD 4.01Å; M276-K280 HydrophobicContact SD-CB 4.14Å; M276-K280 HydrophobicContact SD-CD 3.83Å; M276-K280 HydrophobicContact SD-CG 4.44Å; K280-K283 PolarHBondContact O-N 2.71Å; K280-E284 WeakPolarHBondContact CE-OE1 3.34Å; K280-E284 VanDerWaalsContact CG-OE1 3.31Å; K280-E284 WeakPolarHBondContact CG-OE1 3.48Å; K280-E284 PolarHBondContact O-N 3.2Å; K280-E284 VanDerWaalsContact O-N 3.1Å
281L85.6Confident87.8Confident82 Ų8280.5 Ų80.543%0.42940%0.404SS..Hα-helixtrans-64.1-40.7-174.6-64.4171.4000113.8M276 K283 E284 L285M276-L281 HydrophobicContact CB-CD1 4.25Å; M276-L281 HydrophobicContact CE-CD2 4.22Å; M276-L281 HydrophobicContact CE-CG 4.2Å; M276-L281 VanDerWaalsContact O-CB 3.24Å; M276-L281 WeakPolarHBondContact O-CB 3.31Å; M276-L281 VanDerWaalsContact O-CG 3.31Å; M276-L281 WeakPolarHBondContact O-CG 3.16Å; M276-L281 PolarHBondContact O-N 3.44Å; L281-K283 PolarHBondContact O-N 2.99Å; L281-E284 PolarHBondContact O-N 2.91Å; L281-L285 WeakPolarHBondContact O-CB 3.44Å; L281-L285 PolarHBondContact O-N 2.87Å
282P91.8Very high87.7Confident45 Ų4578.2 Ų78.229%0.29240%0.401SS..Hα-helixtrans-61.7-42.6175.5-24.835.4000112.8V277 E284 L285 D286V277-P282 WeakPolarHBondContact O-CD 3.25Å; V277-P282 WeakPolarHBondContact O-CG 3.38Å; P282-E284 PolarHBondContact O-N 2.88Å; P282-L285 PolarHBondContact O-N 2.83Å; P282-D286 WeakPolarHBondContact O-CB 3.32Å; P282-D286 PolarHBondContact O-N 2.62Å
283K88.2Confident88.1Confident111 Ų11181.6 Ų81.648%0.48342%0.417SS..Hα-helixtrans-62.4-43.7177.7-76.3173.5174.2167.80112.1D279 K280 L281 S287D279-K283 WeakPolarHBondContact O-CB 3.34Å; D279-K283 WeakPolarHBondContact O-CD 3.41Å; D279-K283 VanDerWaalsContact O-CG 3.27Å; D279-K283 WeakPolarHBondContact O-CG 3.46Å; D279-K283 PolarHBondContact O-N 3.5Å; D279-K283 WeakPolarHBondContact OD1-CE 3.5Å; D279-K283 IonicContact OD1-NZ 3.93Å; D279-K283 PolarHBondContact OD1-NZ 3.08Å; D279-K283 IonicContact OD2-NZ 3.21Å; K280-K283 PolarHBondContact O-N 2.71Å; L281-K283 PolarHBondContact O-N 2.99Å; K283-S287 VanDerWaalsContact O-CB 3.3Å; K283-S287 WeakPolarHBondContact O-CB 3.26Å; K283-S287 PolarHBondContact O-N 3.35Å
284E86.3Confident88.1Confident88 Ų8884.5 Ų84.541%0.41142%0.423SS..Hα-helixtrans-65.1-45.9175.3-72.6174.9-17200111.7K280 L281 P282 D286 S287 K288K280-E284 WeakPolarHBondContact CE-OE1 3.34Å; K280-E284 VanDerWaalsContact CG-OE1 3.31Å; K280-E284 WeakPolarHBondContact CG-OE1 3.48Å; K280-E284 PolarHBondContact O-N 3.2Å; K280-E284 VanDerWaalsContact O-N 3.1Å; L281-E284 PolarHBondContact O-N 2.91Å; P282-E284 PolarHBondContact O-N 2.88Å; E284-D286 PolarHBondContact O-N 3.4Å; E284-S287 WeakPolarHBondContact O-CB 3.4Å; E284-S287 PolarHBondContact O-N 3.15Å; E284-K288 WeakPolarHBondContact O-CG 3.44Å; E284-K288 PolarHBondContact O-N 3.31Å
285L86.7Confident87.8Confident88 Ų8886 Ų8646%0.46143%0.425SS..Hα-helixtrans-59-47.1177.9-171.582.3000111.3L281 P282 S287 K288 R289L281-L285 WeakPolarHBondContact O-CB 3.44Å; L281-L285 PolarHBondContact O-N 2.87Å; P282-L285 PolarHBondContact O-N 2.83Å; L285-S287 VanDerWaalsContact C-N 3.33Å; L285-K288 PolarHBondContact O-N 2.83Å; L285-R289 VanDerWaalsContact CD2-CZ 3.46Å; L285-R289 WeakPolarHBondContact O-CB 3.08Å; L285-R289 VanDerWaalsContact O-CG 3.25Å; L285-R289 WeakPolarHBondContact O-CG 3.18Å; L285-R289 PolarHBondContact O-N 3.48Å
286D91.4Very high87.6Confident69 Ų6991 Ų9137%0.36945%0.449SS..Hα-helixtrans-74-24.2179.4-71.7-19.2000112.7P282 E284 R289 R290P282-D286 WeakPolarHBondContact O-CB 3.32Å; P282-D286 PolarHBondContact O-N 2.62Å; E284-D286 PolarHBondContact O-N 3.4Å; D286-R289 WeakPolarHBondContact OD1-CD 3.47Å; D286-R289 IonicContact OD1-CZ 2.75Å; D286-R289 IonicContact OD1-NH1 3.17Å; D286-R289 PolarHBondContact OD1-NH1 3.19Å; D286-R290 WeakPolarHBondContact O-CB 3.39Å; D286-R290 VanDerWaalsContact O-CG 3.31Å; D286-R290 WeakPolarHBondContact O-CG 3.35Å; D286-R290 PolarHBondContact O-N 3.11Å; D286-R290 VanDerWaalsContact O-N 3.11Å; D286-R290 PolarHBondContact O-NE 3.18Å
287S89.9Confident87.7Confident65 Ų6595.7 Ų95.746%0.45547%0.469SS..Hα-helixtrans-66.5-49.8166.5-174.90000111.1K283 E284 L285 R289 R290 M291K283-S287 VanDerWaalsContact O-CB 3.3Å; K283-S287 WeakPolarHBondContact O-CB 3.26Å; K283-S287 PolarHBondContact O-N 3.35Å; E284-S287 WeakPolarHBondContact O-CB 3.4Å; E284-S287 PolarHBondContact O-N 3.15Å; L285-S287 VanDerWaalsContact C-N 3.33Å; S287-R289 PolarHBondContact O-N 3.36Å; S287-R290 PolarHBondContact O-N 3.45Å; S287-M291 PolarHBondContact O-N 3.03Å
288K89.1Confident87.3Confident154 Ų15495.4 Ų95.467%0.6747%0.467SS*.Hα-helixtrans-64.3-40.1177.1-65.5-64.4-175.7-178.70112.4E284 L285 M291 V292E284-K288 WeakPolarHBondContact O-CG 3.44Å; E284-K288 PolarHBondContact O-N 3.31Å; L285-K288 PolarHBondContact O-N 2.83Å; K288-M291 WeakPolarHBondContact O-CB 3.3Å; K288-M291 PolarHBondContact O-N 2.85Å; K288-V292 WeakPolarHBondContact O-CG2 3.46Å; K288-V292 PolarHBondContact O-N 3.33Å
289R90.4Very high86.8Confident138 Ų13897.6 Ų97.652%0.52148%0.477SS..Hα-helixtrans-60.2-45.7173.7-77.1166.2165.8179.5-6.5112L285 D286 S287 M291 V292 Q293L285-R289 VanDerWaalsContact CD2-CZ 3.46Å; L285-R289 WeakPolarHBondContact O-CB 3.08Å; L285-R289 VanDerWaalsContact O-CG 3.25Å; L285-R289 WeakPolarHBondContact O-CG 3.18Å; L285-R289 PolarHBondContact O-N 3.48Å; D286-R289 WeakPolarHBondContact OD1-CD 3.47Å; D286-R289 IonicContact OD1-CZ 2.75Å; D286-R289 IonicContact OD1-NH1 3.17Å; D286-R289 PolarHBondContact OD1-NH1 3.19Å; S287-R289 PolarHBondContact O-N 3.36Å; R289-M291 VanDerWaalsContact C-N 3.34Å; R289-M291 PolarHBondContact O-N 3.48Å; R289-V292 PolarHBondContact O-N 3.48Å; R289-Q293 WeakPolarHBondContact O-CG 3.24Å; R289-Q293 PolarHBondContact O-N 2.9Å
290R92.5Very high86.7Confident129 Ų12999.7 Ų99.749%0.48750%0.495SS..Hα-helixtrans-60.7-42.9174.1-79.7177.5-73.7175.7-3.6111.6D286 S287 V292 Q293 Y294D286-R290 WeakPolarHBondContact O-CB 3.39Å; D286-R290 VanDerWaalsContact O-CG 3.31Å; D286-R290 WeakPolarHBondContact O-CG 3.35Å; D286-R290 PolarHBondContact O-N 3.11Å; D286-R290 VanDerWaalsContact O-N 3.11Å; D286-R290 PolarHBondContact O-NE 3.18Å; S287-R290 PolarHBondContact O-N 3.45Å; R290-V292 PolarHBondContact O-N 3.02Å; R290-Q293 PolarHBondContact O-N 3.17Å; R290-Y294 HydrophobicContact CB-CE2 4.11Å; R290-Y294 WeakPolarHBondContact O-CD2 3.34Å; R290-Y294 VanDerWaalsContact O-CG 3.31Å; R290-Y294 PolarHBondContact O-N 2.93Å
291M90.5Very high86.4Confident113 Ų113103.4 Ų103.456%0.55751%0.513SS*.Hα-helixtrans-59.5-45.3175.2-169.262.3136.900112.3S287 K288 R289 Y294 L295S287-M291 PolarHBondContact O-N 3.03Å; K288-M291 WeakPolarHBondContact O-CB 3.3Å; K288-M291 PolarHBondContact O-N 2.85Å; R289-M291 VanDerWaalsContact C-N 3.34Å; R289-M291 PolarHBondContact O-N 3.48Å; M291-Y294 PolarHBondContact O-N 3.22Å; M291-L295 HydrophobicContact CG-CD1 4.37Å; M291-L295 WeakPolarHBondContact O-CG 3.35Å; M291-L295 PolarHBondContact O-N 3.46Å
292V86.1Confident85.9Confident79 Ų79104.9 Ų104.948%0.47953%0.527SS..Hα-helixtrans-62.6-42.5175.21720000111.3K288 R289 R290 Y294 L295 Q296K288-V292 WeakPolarHBondContact O-CG2 3.46Å; K288-V292 PolarHBondContact O-N 3.33Å; R289-V292 PolarHBondContact O-N 3.48Å; R290-V292 PolarHBondContact O-N 3.02Å; V292-Y294 VanDerWaalsContact C-N 3.34Å; V292-Y294 PolarHBondContact O-N 2.97Å; V292-L295 PolarHBondContact O-N 3.38Å; V292-Q296 HydrophobicContact CG1-CG 4.35Å; V292-Q296 WeakPolarHBondContact O-CB 3.09Å; V292-Q296 VanDerWaalsContact O-CG 3.32Å; V292-Q296 WeakPolarHBondContact O-CG 3.35Å; V292-Q296 PolarHBondContact O-N 2.77Å
293Q91.8Very high84.6Confident107 Ų107107.9 Ų107.950%0.556%0.556SS.*Hα-helixtrans-62.3-38.9175.6-73.2170.9-6.800112.4R289 R290 K297R289-Q293 WeakPolarHBondContact O-CG 3.24Å; R289-Q293 PolarHBondContact O-N 2.9Å; R290-Q293 PolarHBondContact O-N 3.17Å; Q293-K297 WeakPolarHBondContact O-CG 3.4Å; Q293-K297 PolarHBondContact O-N 2.78Å
294Y85.9Confident83.6Confident138 Ų138106 Ų10654%0.54155%0.55SS..Hα-helixtrans-66.4-45.3174.5-64.7-46.4000111.6R290 M291 V292 Q296 K297 V298R290-Y294 HydrophobicContact CB-CE2 4.11Å; R290-Y294 WeakPolarHBondContact O-CD2 3.34Å; R290-Y294 VanDerWaalsContact O-CG 3.31Å; R290-Y294 PolarHBondContact O-N 2.93Å; M291-Y294 PolarHBondContact O-N 3.22Å; V292-Y294 VanDerWaalsContact C-N 3.34Å; V292-Y294 PolarHBondContact O-N 2.97Å; Y294-Q296 VanDerWaalsContact C-N 3.33Å; Y294-Q296 PolarHBondContact O-N 3.17Å; Y294-K297 WeakPolarHBondContact O-CB 3.23Å; Y294-K297 PolarHBondContact O-N 3.42Å; Y294-V298 WeakPolarHBondContact O-CG2 2.94Å; Y294-V298 PolarHBondContact O-N 2.81Å
295L83.5Confident83.1Confident103 Ų103103.5 Ų103.554%0.53955%0.548SS..Hα-helixtrans-62.6-39.6176.2-68.5171.6000112M291 V292 V298 V299M291-L295 HydrophobicContact CG-CD1 4.37Å; M291-L295 WeakPolarHBondContact O-CG 3.35Å; M291-L295 PolarHBondContact O-N 3.46Å; V292-L295 PolarHBondContact O-N 3.38Å; L295-V298 PolarHBondContact O-N 2.97Å; L295-V299 VanDerWaalsContact O-CG2 3.32Å; L295-V299 WeakPolarHBondContact O-CG2 3.33Å; L295-V299 PolarHBondContact O-N 3.24Å
296Q82.5Confident82.5Confident127 Ų127107.9 Ų107.959%0.59357%0.566SS**Hα-helixtrans-62.4-40.8173.4-77.1176.3-28.200112.2V292 Y294 V299 S300V292-Q296 HydrophobicContact CG1-CG 4.35Å; V292-Q296 WeakPolarHBondContact O-CB 3.09Å; V292-Q296 VanDerWaalsContact O-CG 3.32Å; V292-Q296 WeakPolarHBondContact O-CG 3.35Å; V292-Q296 PolarHBondContact O-N 2.77Å; Y294-Q296 VanDerWaalsContact C-N 3.33Å; Y294-Q296 PolarHBondContact O-N 3.17Å; Q296-V299 PolarHBondContact O-N 2.85Å; Q296-S300 WeakPolarHBondContact O-CB 3.37Å; Q296-S300 PolarHBondContact O-N 3.3Å; Q296-S300 PolarHBondContact O-OG 2.58Å
297K84.9Confident82Confident124 Ų124108.4 Ų108.454%0.53958%0.58SS.*Hα-helixtrans-61.5-49.7173.7-76.5178.6177-170.40111.7Q293 Y294 V299 S300 E301Q293-K297 WeakPolarHBondContact O-CG 3.4Å; Q293-K297 PolarHBondContact O-N 2.78Å; Y294-K297 WeakPolarHBondContact O-CB 3.23Å; Y294-K297 PolarHBondContact O-N 3.42Å; K297-V299 VanDerWaalsContact C-N 3.27Å; K297-V299 PolarHBondContact O-N 3.49Å; K297-S300 WeakPolarHBondContact CA-OG 3.42Å; K297-S300 CarbonylContact O-C 3.23Å; K297-S300 WeakPolarHBondContact O-CA 3.32Å; K297-S300 PolarHBondContact O-N 2.91Å; K297-S300 PolarHBondContact O-OG 2.86Å; K297-E301 WeakPolarHBondContact O-CG 3.21Å; K297-E301 PolarHBondContact O-N 3.45Å
298V81.1Confident81.4Confident97 Ų97110.3 Ų110.359%0.58858%0.582SS**Hα-helixtrans-59.3-35.7177.7172.60000112.2Y294 L295Y294-V298 WeakPolarHBondContact O-CG2 2.94Å; Y294-V298 PolarHBondContact O-N 2.81Å; L295-V298 PolarHBondContact O-N 2.97Å
299V77.8Confident81Confident128 Ų128106.9 Ų106.978%0.77657%0.57SS**Hα-helixtrans-73.9-29.4174.4170.90000112.6L295 Q296 K297L295-V299 VanDerWaalsContact O-CG2 3.32Å; L295-V299 WeakPolarHBondContact O-CG2 3.33Å; L295-V299 PolarHBondContact O-N 3.24Å; Q296-V299 PolarHBondContact O-N 2.85Å; K297-V299 VanDerWaalsContact C-N 3.27Å; K297-V299 PolarHBondContact O-N 3.49Å
300S80.3Confident80.8Confident92 Ų92101.5 Ų101.564%0.64356%0.557SS**Hα-helixtrans-82-21.4176.870.90000114Q296 K297Q296-S300 WeakPolarHBondContact O-CB 3.37Å; Q296-S300 PolarHBondContact O-N 3.3Å; Q296-S300 PolarHBondContact O-OG 2.58Å; K297-S300 WeakPolarHBondContact CA-OG 3.42Å; K297-S300 CarbonylContact O-C 3.23Å; K297-S300 WeakPolarHBondContact O-CA 3.32Å; K297-S300 PolarHBondContact O-N 2.91Å; K297-S300 PolarHBondContact O-OG 2.86Å
301E77.6Confident80.6Confident95 Ų95100.8 Ų100.844%0.44456%0.56SS.*SBendtrans-72.1137.2174-78169.9-164.500109.7K297 M304K297-E301 WeakPolarHBondContact O-CG 3.21Å; K297-E301 PolarHBondContact O-N 3.45Å; E301-M304 WeakPolarHBondContact OE2-CE 3.41Å
302P75.4Confident80.3Confident112 Ų11299 Ų9973%0.72755%0.552SS**  trans-57.2151.4171.1-20.332000110.2M304P302-M304 PolarHBondContact O-N 3.3Å
303A64.9Low80.4Confident109 Ų109101.1 Ų101.190%0.90156%0.557SS**  trans-60.496.3176.300000110.7
304M67.4Low80.4Confident71 Ų7199.6 Ų99.635%0.3555%0.552SS.*  trans-61.5143.8-179.9-84.6-174.8-84.100111.2E301 P302 E308 L309 L312E301-M304 WeakPolarHBondContact OE2-CE 3.41Å; P302-M304 PolarHBondContact O-N 3.3Å; M304-E308 VanDerWaalsContact CA-OE2 3.28Å; M304-E308 WeakPolarHBondContact CA-OE2 3.44Å; M304-E308 HydrophobicContact CB-CB 4.2Å; M304-E308 WeakPolarHBondContact CB-OE2 3.24Å; M304-E308 HydrophobicContact CG-CB 4.31Å; M304-E308 HydrophobicContact SD-CB 4.3Å; M304-L309 HydrophobicContact CB-CD2 4.4Å; M304-L309 HydrophobicContact CB-CG 4.37Å; M304-L312 HydrophobicContact CE-CD1 4Å; M304-L312 HydrophobicContact SD-CD1 3.75Å
305G75.5Confident80.7Confident36 Ų3697.6 Ų97.637%0.37155%0.546SS..  trans-67.6153.3173.900000111.6A307 E308 L309G305-A307 PolarHBondContact O-N 3.46Å; G305-E308 PolarHBondContact N-OE2 3.44Å; G305-E308 PolarHBondContact O-N 2.82Å; G305-L309 PolarHBondContact O-N 3.18Å; G305-L309 VanDerWaalsContact O-N 3.14Å
306Q74.4Confident81Confident179 Ų17997.3 Ų97.384%0.83654%0.544SS*.Hα-helixtrans-58.8-23.4178.4-166.2171.33.900113.2G310Q306-G310 PolarHBondContact O-N 2.9Å
307A79.8Confident81.5Confident80 Ų8097.8 Ų97.866%0.66154%0.54SS*.Hα-helixtrans-72.4-40.9172.200000113.2G305 L309 G310 E311G305-A307 PolarHBondContact O-N 3.46Å; A307-L309 VanDerWaalsContact C-N 3.35Å; A307-G310 PolarHBondContact O-N 3.42Å; A307-E311 PolarHBondContact O-N 3.09Å
308E78.9Confident82Confident106 Ų10697.8 Ų97.850%0.49554%0.542SS..Hα-helixtrans-68.9-36.4179.2-62.6169.814700110.9M304 G305 E311 L312M304-E308 VanDerWaalsContact CA-OE2 3.28Å; M304-E308 WeakPolarHBondContact CA-OE2 3.44Å; M304-E308 HydrophobicContact CB-CB 4.2Å; M304-E308 WeakPolarHBondContact CB-OE2 3.24Å; M304-E308 HydrophobicContact CG-CB 4.31Å; M304-E308 HydrophobicContact SD-CB 4.3Å; G305-E308 PolarHBondContact N-OE2 3.44Å; G305-E308 PolarHBondContact O-N 2.82Å; E308-E311 PolarHBondContact O-N 3.4Å; E308-L312 WeakPolarHBondContact O-CG 3.48Å; E308-L312 PolarHBondContact O-N 3.25Å; E308-L312 VanDerWaalsContact O-N 3.1Å
309L80.1Confident82.5Confident82 Ų8297.4 Ų97.443%0.42954%0.537SS..Hα-helixtrans-62.7-41.3169.7-67.3175.2000111.9M304 G305 A307 L312 E313M304-L309 HydrophobicContact CB-CD2 4.4Å; M304-L309 HydrophobicContact CB-CG 4.37Å; G305-L309 PolarHBondContact O-N 3.18Å; G305-L309 VanDerWaalsContact O-N 3.14Å; A307-L309 VanDerWaalsContact C-N 3.35Å; L309-L312 PolarHBondContact O-N 2.99Å; L309-E313 WeakPolarHBondContact O-CG 3.49Å; L309-E313 PolarHBondContact O-N 3Å
310G86Confident83.1Confident24 Ų2495.2 Ų95.225%0.24752%0.521CS..Hα-helixtrans-60.1-45.4174.700000112.9Q306 A307 L312 E313 D314Q306-G310 PolarHBondContact O-N 2.9Å; A307-G310 PolarHBondContact O-N 3.42Å; G310-L312 VanDerWaalsContact C-N 3.3Å; G310-L312 PolarHBondContact O-N 3.34Å; G310-E313 PolarHBondContact O-N 3.05Å; G310-D314 PolarHBondContact O-N 3.08Å
311E87.8Confident83.7Confident115 Ų11595.2 Ų95.254%0.53751%0.513SS..Hα-helixtrans-61.4-36.2174.4-74.9-167-156.900113.2A307 E308 K315A307-E311 PolarHBondContact O-N 3.09Å; E308-E311 PolarHBondContact O-N 3.4Å; E311-K315 WeakPolarHBondContact O-CB 3.49Å; E311-K315 WeakPolarHBondContact O-CD 3.48Å; E311-K315 VanDerWaalsContact O-CG 3.23Å; E311-K315 WeakPolarHBondContact O-CG 3.36Å; E311-K315 PolarHBondContact O-N 2.81Å; E311-K315 IonicContact OE2-NZ 3.73Å; E311-K315 PolarHBondContact OE2-NZ 2.85Å
312L84.6Confident84.5Confident74 Ų7496.5 Ų96.539%0.38752%0.519SS..Hα-helixtrans-70.1-41.6175.5-76.9167.6000111.6M304 E308 L309 G310 K315 I316M304-L312 HydrophobicContact CE-CD1 4Å; M304-L312 HydrophobicContact SD-CD1 3.75Å; E308-L312 WeakPolarHBondContact O-CG 3.48Å; E308-L312 PolarHBondContact O-N 3.25Å; E308-L312 VanDerWaalsContact O-N 3.1Å; L309-L312 PolarHBondContact O-N 2.99Å; G310-L312 VanDerWaalsContact C-N 3.3Å; G310-L312 PolarHBondContact O-N 3.34Å; L312-K315 PolarHBondContact O-N 2.95Å; L312-I316 WeakPolarHBondContact O-CB 3.47Å; L312-I316 WeakPolarHBondContact O-CD1 3.2Å; L312-I316 WeakPolarHBondContact O-CG1 3.28Å; L312-I316 PolarHBondContact O-N 3Å
313E87.4Confident85Confident125 Ų12595.2 Ų95.258%0.58451%0.505SS*.Hα-helixtrans-62.1-40.8174.5-75.9-176.9-178.900112.2L309 G310 I316 R317L309-E313 WeakPolarHBondContact O-CG 3.49Å; L309-E313 PolarHBondContact O-N 3Å; G310-E313 PolarHBondContact O-N 3.05Å; E313-I316 PolarHBondContact O-N 3.26Å; E313-R317 WeakPolarHBondContact O-CB 3.26Å; E313-R317 PolarHBondContact O-N 3.3Å
314D92Very high86Confident74 Ų7494.4 Ų94.440%0.39649%0.485SS..Hα-helixtrans-68-43.6176-75.7-24.7000111.6G310 I316 R317 E318G310-D314 PolarHBondContact O-N 3.08Å; D314-I316 VanDerWaalsContact C-N 3.31Å; D314-I316 PolarHBondContact O-N 2.93Å; D314-R317 CarbonylContact O-C 3.58Å; D314-R317 WeakPolarHBondContact O-CA 3.43Å; D314-R317 WeakPolarHBondContact O-CB 3.15Å; D314-R317 PolarHBondContact O-N 3.01Å; D314-R317 IonicContact OD1-CZ 2.62Å; D314-R317 IonicContact OD1-NE 2.73Å; D314-R317 IonicContact OD1-NH1 3.57Å; D314-R317 PolarHBondContact OD1-NH1 2.83Å; D314-R317 IonicContact OD1-NH2 3.61Å; D314-R317 PolarHBondContact OD1-NH2 2.89Å; D314-E318 WeakPolarHBondContact O-CG 3.22Å; D314-E318 PolarHBondContact O-N 2.84Å
315K91.9Very high87.1Confident96 Ų9694.8 Ų94.842%0.41749%0.488SS..Hα-helixtrans-61.7-36.5172.5-72.8163.1-1661540112.4E311 L312 R317 N319E311-K315 WeakPolarHBondContact O-CB 3.49Å; E311-K315 WeakPolarHBondContact O-CD 3.48Å; E311-K315 VanDerWaalsContact O-CG 3.23Å; E311-K315 WeakPolarHBondContact O-CG 3.36Å; E311-K315 PolarHBondContact O-N 2.81Å; E311-K315 IonicContact OE2-NZ 3.73Å; E311-K315 PolarHBondContact OE2-NZ 2.85Å; L312-K315 PolarHBondContact O-N 2.95Å; K315-R317 VanDerWaalsContact C-N 3.34Å; K315-N319 WeakPolarHBondContact O-CB 3.4Å; K315-N319 PolarHBondContact O-N 2.93Å; K315-N319 PolarHBondContact O-ND2 3.48Å
316I90.6Very high87.5Confident98 Ų9898.2 Ų98.250%0.50350%0.498SS..Hα-helixtrans-65.8-39.9173.1-73.2164.4000110.2L312 E313 D314 N320L312-I316 WeakPolarHBondContact O-CB 3.47Å; L312-I316 WeakPolarHBondContact O-CD1 3.2Å; L312-I316 WeakPolarHBondContact O-CG1 3.28Å; L312-I316 PolarHBondContact O-N 3Å; E313-I316 PolarHBondContact O-N 3.26Å; D314-I316 VanDerWaalsContact C-N 3.31Å; D314-I316 PolarHBondContact O-N 2.93Å; I316-N320 WeakPolarHBondContact CG2-ND2 3.35Å; I316-N320 WeakPolarHBondContact O-CB 3.33Å; I316-N320 PolarHBondContact O-N 3.21Å; I316-N320 PolarHBondContact O-ND2 3.43Å
317R93.3Very high87.7Confident136 Ų13693.7 Ų93.751%0.51348%0.478SS..Hα-helixtrans-65-45.9177.4-158.1-178.6-53.9140.610.8111.7E313 D314 K315 N320 I321E313-R317 WeakPolarHBondContact O-CB 3.26Å; E313-R317 PolarHBondContact O-N 3.3Å; D314-R317 CarbonylContact O-C 3.58Å; D314-R317 WeakPolarHBondContact O-CA 3.43Å; D314-R317 WeakPolarHBondContact O-CB 3.15Å; D314-R317 PolarHBondContact O-N 3.01Å; D314-R317 IonicContact OD1-CZ 2.62Å; D314-R317 IonicContact OD1-NE 2.73Å; D314-R317 IonicContact OD1-NH1 3.57Å; D314-R317 PolarHBondContact OD1-NH1 2.83Å; D314-R317 IonicContact OD1-NH2 3.61Å; D314-R317 PolarHBondContact OD1-NH2 2.89Å; K315-R317 VanDerWaalsContact C-N 3.34Å; R317-N320 PolarHBondContact O-N 2.99Å; R317-I321 HydrophobicContact CG-CD1 4.42Å; R317-I321 WeakPolarHBondContact O-CD1 3.44Å; R317-I321 VanDerWaalsContact O-CG1 3.28Å; R317-I321 WeakPolarHBondContact O-CG1 3.48Å; R317-I321 PolarHBondContact O-N 2.8Å
318E94.9Very high87.7Confident125 Ų12595.4 Ų95.458%0.58447%0.473SS*.Hα-helixtrans-59.4-51.4174.4-72.1-179.6160.200111.6D314 N320 I321 E322D314-E318 WeakPolarHBondContact O-CG 3.22Å; D314-E318 PolarHBondContact O-N 2.84Å; E318-N320 VanDerWaalsContact C-N 3.3Å; E318-N320 PolarHBondContact O-N 3.01Å; E318-I321 WeakPolarHBondContact O-CA 3.38Å; E318-I321 WeakPolarHBondContact O-CB 3.15Å; E318-I321 PolarHBondContact O-N 3.29Å; E318-E322 PolarHBondContact O-N 2.94Å
319N92.6Very high87.8Confident89 Ų8997.2 Ų97.248%0.47648%0.479SS..Hα-helixtrans-59.5-38.5176.9-78.8-60.1000112.5K315 E322 I323K315-N319 WeakPolarHBondContact O-CB 3.4Å; K315-N319 PolarHBondContact O-N 2.93Å; K315-N319 PolarHBondContact O-ND2 3.48Å; N319-E322 PolarHBondContact O-N 3.21Å; N319-I323 WeakPolarHBondContact O-CB 3.27Å; N319-I323 WeakPolarHBondContact O-CD1 3.07Å; N319-I323 WeakPolarHBondContact O-CG1 3.22Å; N319-I323 PolarHBondContact O-N 3.33Å
320N90.4Very high87.4Confident82 Ų82100.1 Ų100.144%0.43948%0.484SS..Hα-helixtrans-66.4-36.6175-76.8-34.9000112.2I316 R317 E318 N324I316-N320 WeakPolarHBondContact CG2-ND2 3.35Å; I316-N320 WeakPolarHBondContact O-CB 3.33Å; I316-N320 PolarHBondContact O-N 3.21Å; I316-N320 PolarHBondContact O-ND2 3.43Å; R317-N320 PolarHBondContact O-N 2.99Å; E318-N320 VanDerWaalsContact C-N 3.3Å; E318-N320 PolarHBondContact O-N 3.01Å; N320-N324 WeakPolarHBondContact O-CB 3.47Å; N320-N324 PolarHBondContact O-N 3.31Å; N320-N324 PolarHBondContact O-ND2 3.46Å
321I93.1Very high86.3Confident92 Ų92105.9 Ų105.947%0.47251%0.506SS..Hα-helixtrans-65.2-45.4172.9-68.5161.4000110.2R317 E318 N324 L325R317-I321 HydrophobicContact CG-CD1 4.42Å; R317-I321 WeakPolarHBondContact O-CD1 3.44Å; R317-I321 VanDerWaalsContact O-CG1 3.28Å; R317-I321 WeakPolarHBondContact O-CG1 3.48Å; R317-I321 PolarHBondContact O-N 2.8Å; E318-I321 WeakPolarHBondContact O-CA 3.38Å; E318-I321 WeakPolarHBondContact O-CB 3.15Å; E318-I321 PolarHBondContact O-N 3.29Å; I321-N324 PolarHBondContact O-N 2.91Å; I321-L325 HydrophobicContact CG2-CD1 3.94Å; I321-L325 HydrophobicContact CG2-CG 4.43Å; I321-L325 WeakPolarHBondContact O-CB 3.16Å; I321-L325 VanDerWaalsContact O-CG 3.3Å; I321-L325 WeakPolarHBondContact O-CG 3.34Å; I321-L325 PolarHBondContact O-N 3.26Å
322E92.9Very high85.3Confident121 Ų121108.3 Ų108.357%0.56552%0.52SS*.Hα-helixtrans-61.5-44.1175.4-69.7-162.1163.800112.5E318 N319 N324 L325 L326E318-E322 PolarHBondContact O-N 2.94Å; N319-E322 PolarHBondContact O-N 3.21Å; E322-N324 VanDerWaalsContact C-N 3.34Å; E322-N324 PolarHBondContact O-N 2.99Å; E322-L325 PolarHBondContact O-N 3.21Å; E322-L326 WeakPolarHBondContact O-CB 3.13Å; E322-L326 VanDerWaalsContact O-CG 3.26Å; E322-L326 WeakPolarHBondContact O-CG 3.44Å; E322-L326 PolarHBondContact O-N 2.87Å
323I86.8Confident84.3Confident86 Ų86113.2 Ų113.244%0.44153%0.533SS..Hα-helixtrans-59.5-45.4175.4-73.1164.7000110.4N319 L326 I327N319-I323 WeakPolarHBondContact O-CB 3.27Å; N319-I323 WeakPolarHBondContact O-CD1 3.07Å; N319-I323 WeakPolarHBondContact O-CG1 3.22Å; N319-I323 PolarHBondContact O-N 3.33Å; I323-L326 PolarHBondContact O-N 3.21Å; I323-I327 HydrophobicContact CG2-CD1 3.73Å; I323-I327 HydrophobicContact CG2-CG1 4.44Å; I323-I327 WeakPolarHBondContact O-CB 3.39Å; I323-I327 VanDerWaalsContact O-CG1 3.25Å; I323-I327 WeakPolarHBondContact O-CG1 3.36Å; I323-I327 PolarHBondContact O-N 2.9Å
324N86.4Confident82.9Confident91 Ų91112.8 Ų112.849%0.48754%0.535SS..Hα-helixtrans-63.1-44.2176.9-72.3-24.6000111.7N320 I321 E322 L326 I327 E328N320-N324 WeakPolarHBondContact O-CB 3.47Å; N320-N324 PolarHBondContact O-N 3.31Å; N320-N324 PolarHBondContact O-ND2 3.46Å; I321-N324 PolarHBondContact O-N 2.91Å; E322-N324 VanDerWaalsContact C-N 3.34Å; E322-N324 PolarHBondContact O-N 2.99Å; N324-L326 VanDerWaalsContact C-N 3.3Å; N324-L326 PolarHBondContact O-N 2.89Å; N324-I327 WeakPolarHBondContact O-CB 3.08Å; N324-I327 PolarHBondContact O-N 2.82Å; N324-E328 WeakPolarHBondContact O-CG 3.3Å; N324-E328 PolarHBondContact O-N 2.85Å
325L88.8Confident81.3Confident79 Ų79112.4 Ų112.441%0.41453%0.533SS..Hα-helixtrans-63.1-33.9175-71.4169.3000112.7I321 E322 K329I321-L325 HydrophobicContact CG2-CD1 3.94Å; I321-L325 HydrophobicContact CG2-CG 4.43Å; I321-L325 WeakPolarHBondContact O-CB 3.16Å; I321-L325 VanDerWaalsContact O-CG 3.3Å; I321-L325 WeakPolarHBondContact O-CG 3.34Å; I321-L325 PolarHBondContact O-N 3.26Å; E322-L325 PolarHBondContact O-N 3.21Å; L325-K329 VanDerWaalsContact O-CB 3.3Å; L325-K329 WeakPolarHBondContact O-CB 3.27Å; L325-K329 WeakPolarHBondContact O-CD 3.32Å; L325-K329 WeakPolarHBondContact O-CG 3.39Å; L325-K329 PolarHBondContact O-N 3.16Å
326L85.9Confident79.8Confident108 Ų108112.5 Ų112.557%0.56554%0.543SS*.Hα-helixtrans-73.2-35.8174.1-72.5170.6000112E322 I323 N324 R330E322-L326 WeakPolarHBondContact O-CB 3.13Å; E322-L326 VanDerWaalsContact O-CG 3.26Å; E322-L326 WeakPolarHBondContact O-CG 3.44Å; E322-L326 PolarHBondContact O-N 2.87Å; I323-L326 PolarHBondContact O-N 3.21Å; N324-L326 VanDerWaalsContact C-N 3.3Å; N324-L326 PolarHBondContact O-N 2.89Å; L326-R330 VanDerWaalsContact O-CB 3.3Å; L326-R330 WeakPolarHBondContact O-CB 3.35Å; L326-R330 PolarHBondContact O-N 2.96Å
327I78.6Confident78.2Confident84 Ų84114.6 Ų114.643%0.43155%0.554SS.*Hα-helixtrans-64.7-48.2171.9-70.6164.9000109.9I323 N324 R330 M331I323-I327 HydrophobicContact CG2-CD1 3.73Å; I323-I327 HydrophobicContact CG2-CG1 4.44Å; I323-I327 WeakPolarHBondContact O-CB 3.39Å; I323-I327 VanDerWaalsContact O-CG1 3.25Å; I323-I327 WeakPolarHBondContact O-CG1 3.36Å; I323-I327 PolarHBondContact O-N 2.9Å; N324-I327 WeakPolarHBondContact O-CB 3.08Å; N324-I327 PolarHBondContact O-N 2.82Å; I327-R330 CarbonylContact O-C 3.59Å; I327-R330 WeakPolarHBondContact O-CB 3.33Å; I327-R330 PolarHBondContact O-N 2.94Å; I327-R330 VanDerWaalsContact O-N 3.12Å; I327-M331 HydrophobicContact CG2-CG 4.39Å; I327-M331 HydrophobicContact CG2-SD 4.06Å; I327-M331 WeakPolarHBondContact O-CG 3.38Å; I327-M331 PolarHBondContact O-N 2.87Å
328E79.3Confident76.7Confident116 Ų116110.5 Ų110.554%0.54254%0.542SS..Hα-helixtrans-59.2-49.8175.4-74.2178.7174.200111.6N324 R330 M331 M332N324-E328 WeakPolarHBondContact O-CG 3.3Å; N324-E328 PolarHBondContact O-N 2.85Å; E328-R330 PolarHBondContact O-N 2.94Å; E328-M331 PolarHBondContact O-N 2.99Å; E328-M331 VanDerWaalsContact O-N 3.1Å; E328-M332 WeakPolarHBondContact O-CB 3.43Å; E328-M332 VanDerWaalsContact O-CG 3.27Å; E328-M332 WeakPolarHBondContact O-CG 3.38Å; E328-M332 PolarHBondContact O-N 2.9Å
329K80Confident75.3Confident144 Ų144108.2 Ų108.263%0.62653%0.534SS*.Hα-helixtrans-57.5-33.6174.6-77.2169.3-177.5172.40112.6L325 R333L325-K329 VanDerWaalsContact O-CB 3.3Å; L325-K329 WeakPolarHBondContact O-CB 3.27Å; L325-K329 WeakPolarHBondContact O-CD 3.32Å; L325-K329 WeakPolarHBondContact O-CG 3.39Å; L325-K329 PolarHBondContact O-N 3.16Å; K329-R333 WeakPolarHBondContact O-CB 3.5Å; K329-R333 PolarHBondContact O-N 3.39Å
330R71.9Confident74.2Confident143 Ų143111.1 Ų111.154%0.5454%0.543SS..Hα-helixtrans-73.4-42.1174.7-174.5177.3177-134.1-12.1112.1L326 I327 E328 M332 R333 D338L326-R330 VanDerWaalsContact O-CB 3.3Å; L326-R330 WeakPolarHBondContact O-CB 3.35Å; L326-R330 PolarHBondContact O-N 2.96Å; I327-R330 CarbonylContact O-C 3.59Å; I327-R330 WeakPolarHBondContact O-CB 3.33Å; I327-R330 PolarHBondContact O-N 2.94Å; I327-R330 VanDerWaalsContact O-N 3.12Å; E328-R330 PolarHBondContact O-N 2.94Å; R330-M332 VanDerWaalsContact C-N 3.31Å; R330-M332 PolarHBondContact O-N 2.91Å; R330-R333 PolarHBondContact O-N 3Å; R330-D338 IonicContact CZ-OD2 3.01Å; R330-D338 IonicContact NE-OD2 2.63Å; R330-D338 IonicContact NH2-OD2 2.78Å; R330-D338 PolarHBondContact NH2-OD2 3.13Å
331M64.2Low73.4Confident145 Ų145111.1 Ų111.171%0.71454%0.542SS*.Hα-helixtrans-70.6-25.9177.8-66.9-173.684.700112.9I327 E328 R333 N334I327-M331 HydrophobicContact CG2-CG 4.39Å; I327-M331 HydrophobicContact CG2-SD 4.06Å; I327-M331 WeakPolarHBondContact O-CG 3.38Å; I327-M331 PolarHBondContact O-N 2.87Å; E328-M331 PolarHBondContact O-N 2.99Å; E328-M331 VanDerWaalsContact O-N 3.1Å; M331-R333 VanDerWaalsContact C-N 3.31Å; M331-N334 PolarHBondContact O-OD1 3.01Å
332M65.7Low72.5Confident166 Ų166108.8 Ų108.882%0.81853%0.534SS*.THydrogen-bonded Turntrans-77.6-16.8171.7-68-66.2-75.200113E328 R330 N334E328-M332 WeakPolarHBondContact O-CB 3.43Å; E328-M332 VanDerWaalsContact O-CG 3.27Å; E328-M332 WeakPolarHBondContact O-CG 3.38Å; E328-M332 PolarHBondContact O-N 2.9Å; R330-M332 VanDerWaalsContact C-N 3.31Å; R330-M332 PolarHBondContact O-N 2.91Å; M332-N334 PolarHBondContact O-N 3.48Å
333R64.6Low71.7Confident177 Ų177108.1 Ų108.167%0.66853%0.534SS*.  trans-97.474.7180-172-178.2155.5179.2-6.6110.3K329 R330 M331 D335K329-R333 WeakPolarHBondContact O-CB 3.5Å; K329-R333 PolarHBondContact O-N 3.39Å; R330-R333 PolarHBondContact O-N 3Å; M331-R333 VanDerWaalsContact C-N 3.31Å; R333-D335 IonicContact CZ-OD2 2.96Å; R333-D335 IonicContact NE-OD2 3.92Å; R333-D335 PolarHBondContact NE-OD2 3.31Å; R333-D335 IonicContact NH2-OD2 2.95Å; R333-D335 PolarHBondContact NH2-OD2 2.81Å; R333-D335 PolarHBondContact O-N 3.39Å
334N56.4Low71.4Confident117 Ų117110.4 Ų110.463%0.62654%0.541SS*.  trans-70.774.8172.6-73.2-4.7000111.4M331 M332 P336M331-N334 PolarHBondContact O-OD1 3.01Å; M332-N334 PolarHBondContact O-N 3.48Å; N334-P336 WeakPolarHBondContact O-CD 3.28Å
335D59.7Low71.2Confident66 Ų66112.4 Ų112.435%0.35354%0.541SS..  trans-70119.9165.5-94.7-46.1000109R333 I337 D338 D339R333-D335 IonicContact CZ-OD2 2.96Å; R333-D335 IonicContact NE-OD2 3.92Å; R333-D335 PolarHBondContact NE-OD2 3.31Å; R333-D335 IonicContact NH2-OD2 2.95Å; R333-D335 PolarHBondContact NH2-OD2 2.81Å; R333-D335 PolarHBondContact O-N 3.39Å; D335-I337 PolarHBondContact O-N 3.22Å; D335-D338 HydrophobicContact CB-CB 4.46Å; D335-D338 PolarHBondContact O-N 2.66Å; D335-D339 PolarHBondContact O-N 3.27Å; D335-D339 VanDerWaalsContact O-N 3.09Å
336P59.3Low70.9Confident98 Ų98114.2 Ų114.264%0.63655%0.548SS*.Hα-helixtrans-59.8-14.1-174.7-25.334000115.3N334N334-P336 WeakPolarHBondContact O-CD 3.28Å
337I57.8Low70.8Confident141 Ų141114.4 Ų114.472%0.72355%0.546SS*.Hα-helixtrans-85.9-41176.1-61.9172.7000111.2D335 D339 L341D335-I337 PolarHBondContact O-N 3.22Å; I337-D339 VanDerWaalsContact C-N 3.28Å; I337-L341 PolarHBondContact O-N 3.41Å
338D61.9Low71Confident51 Ų51112.8 Ų112.827%0.27355%0.545SS..Hα-helixtrans-73-25.5175.1-151.834000110.1R330 D335 L341 S342 R345R330-D338 IonicContact CZ-OD2 3.01Å; R330-D338 IonicContact NE-OD2 2.63Å; R330-D338 IonicContact NH2-OD2 2.78Å; R330-D338 PolarHBondContact NH2-OD2 3.13Å; D335-D338 HydrophobicContact CB-CB 4.46Å; D335-D338 PolarHBondContact O-N 2.66Å; D338-L341 CarbonylContact O-C 3.53Å; D338-L341 PolarHBondContact O-N 2.9Å; D338-S342 WeakPolarHBondContact O-CA 3.19Å; D338-S342 VanDerWaalsContact O-CB 3.27Å; D338-S342 WeakPolarHBondContact O-CB 3.48Å; D338-S342 PolarHBondContact O-N 3.38Å; D338-R345 IonicContact OD1-CZ 2.73Å; D338-R345 IonicContact OD1-NH2 3.08Å; D338-R345 PolarHBondContact OD1-NH2 3.36Å
339D65.9Low71.3Confident77 Ų77109.9 Ų109.941%0.41254%0.537SS..Hα-helixtrans-64.8-43.6176.7-122.5-6.6000113.6D335 I337 L341 S342 L343D335-D339 PolarHBondContact O-N 3.27Å; D335-D339 VanDerWaalsContact O-N 3.09Å; I337-D339 VanDerWaalsContact C-N 3.28Å; D339-L341 VanDerWaalsContact C-N 3.34Å; D339-L341 PolarHBondContact O-N 2.91Å; D339-S342 PolarHBondContact O-N 3.48Å; D339-S342 PolarHBondContact O-OG 3.03Å; D339-L343 PolarHBondContact O-N 3.15Å
340K69.1Low71.6Confident150 Ų150107 Ų10765%0.65253%0.528SS*.Hα-helixtrans-65.8-39.1173.3-72.2-176.3179.9178.20111.5S342 F344K340-S342 VanDerWaalsContact C-N 3.34Å; K340-F344 WeakPolarHBondContact O-CD2 3.43Å; K340-F344 PolarHBondContact O-N 2.86Å
341L72.2Confident72.3Confident82 Ų82105.1 Ų105.143%0.42953%0.527SS..Hα-helixtrans-71.4-28175.7-72.5169.7000112.4I337 D338 D339 F344 R345I337-L341 PolarHBondContact O-N 3.41Å; D338-L341 CarbonylContact O-C 3.53Å; D338-L341 PolarHBondContact O-N 2.9Å; D339-L341 VanDerWaalsContact C-N 3.34Å; D339-L341 PolarHBondContact O-N 2.91Å; L341-F344 PolarHBondContact O-N 3.44Å; L341-R345 WeakPolarHBondContact O-CB 3.24Å; L341-R345 WeakPolarHBondContact O-CG 3.48Å; L341-R345 PolarHBondContact O-N 3.4Å
342S74.6Confident73.2Confident43 Ų43101 Ų10130%0.30151%0.51SS..Hα-helixtrans-66.6-44.3177.686.40000110D338 D339 K340 F344 R345 Q346D338-S342 WeakPolarHBondContact O-CA 3.19Å; D338-S342 VanDerWaalsContact O-CB 3.27Å; D338-S342 WeakPolarHBondContact O-CB 3.48Å; D338-S342 PolarHBondContact O-N 3.38Å; D339-S342 PolarHBondContact O-N 3.48Å; D339-S342 PolarHBondContact O-OG 3.03Å; K340-S342 VanDerWaalsContact C-N 3.34Å; S342-F344 PolarHBondContact O-N 3.01Å; S342-R345 PolarHBondContact O-N 3Å; S342-Q346 VanDerWaalsContact O-CB 3.3Å; S342-Q346 WeakPolarHBondContact O-CB 3.48Å; S342-Q346 PolarHBondContact O-N 2.91Å
343L76.9Confident74.2Confident106 Ų106101.4 Ų101.456%0.55550%0.503SS*.Hα-helixtrans-58.3-47.2173.3-71168.5000111.7D339 Q346 Q347D339-L343 PolarHBondContact O-N 3.15Å; L343-Q346 PolarHBondContact O-N 2.91Å; L343-Q347 VanDerWaalsContact O-CB 3.28Å; L343-Q347 WeakPolarHBondContact O-CB 3.3Å; L343-Q347 PolarHBondContact O-N 3.49Å
344F80.9Confident75.3Confident135 Ų13599.9 Ų99.959%0.59250%0.501SS*.Hα-helixtrans-66.3-37176.3-70-59.6000112.9K340 L341 S342 A348K340-F344 WeakPolarHBondContact O-CD2 3.43Å; K340-F344 PolarHBondContact O-N 2.86Å; L341-F344 PolarHBondContact O-N 3.44Å; S342-F344 PolarHBondContact O-N 3.01Å; F344-A348 WeakPolarHBondContact O-CB 3.44Å; F344-A348 PolarHBondContact O-N 2.87Å
345R80.5Confident76.7Confident133 Ų13399 Ų9950%0.50249%0.492SS..Hα-helixtrans-67.6-38.7174.3-72.6175.7-156.3-178.725.8112D338 L341 S342 S349D338-R345 IonicContact OD1-CZ 2.73Å; D338-R345 IonicContact OD1-NH2 3.08Å; D338-R345 PolarHBondContact OD1-NH2 3.36Å; L341-R345 WeakPolarHBondContact O-CB 3.24Å; L341-R345 WeakPolarHBondContact O-CG 3.48Å; L341-R345 PolarHBondContact O-N 3.4Å; S342-R345 PolarHBondContact O-N 3Å; R345-S349 WeakPolarHBondContact O-CB 3.35Å; R345-S349 PolarHBondContact O-N 2.94Å
346Q83Confident77.9Confident117 Ų11799.1 Ų99.155%0.54749%0.49SS..Hα-helixtrans-67.8-45.4175.9-171.1-176.921.400110.5S342 L343 S349 I350S342-Q346 VanDerWaalsContact O-CB 3.3Å; S342-Q346 WeakPolarHBondContact O-CB 3.48Å; S342-Q346 PolarHBondContact O-N 2.91Å; L343-Q346 PolarHBondContact O-N 2.91Å; Q346-S349 PolarHBondContact O-N 2.88Å; Q346-I350 HydrophobicContact CG-CD1 4.1Å; Q346-I350 VanDerWaalsContact O-CG1 3.28Å; Q346-I350 WeakPolarHBondContact O-CG1 3.26Å; Q346-I350 PolarHBondContact O-N 3.46Å
347Q83.6Confident79.2Confident112 Ų11296.4 Ų96.452%0.52348%0.476SS..Hα-helixtrans-62.1-43.5175.1-170175.413.900111.3L343 I350 I351L343-Q347 VanDerWaalsContact O-CB 3.28Å; L343-Q347 WeakPolarHBondContact O-CB 3.3Å; L343-Q347 PolarHBondContact O-N 3.49Å; Q347-I350 PolarHBondContact O-N 3.04Å; Q347-I351 HydrophobicContact CG-CD1 4.06Å; Q347-I351 WeakPolarHBondContact O-CB 3.47Å; Q347-I351 VanDerWaalsContact O-CG1 3.25Å; Q347-I351 WeakPolarHBondContact O-CG1 3.27Å; Q347-I351 PolarHBondContact O-N 3.44Å
348A83.1Confident80.5Confident50 Ų5095.6 Ų95.641%0.41347%0.467SS..Hα-helixtrans-59.6-47172.300000111.5F344 I350 I351 T352F344-A348 WeakPolarHBondContact O-CB 3.44Å; F344-A348 PolarHBondContact O-N 2.87Å; A348-I350 VanDerWaalsContact C-N 3.35Å; A348-I350 PolarHBondContact O-N 2.78Å; A348-I351 PolarHBondContact O-N 3.18Å; A348-I351 VanDerWaalsContact O-N 3.15Å; A348-T352 PolarHBondContact O-N 3.43Å; A348-T352 PolarHBondContact O-OG1 3.34Å
349S85.1Confident81.5Confident55 Ų5593.4 Ų93.439%0.38546%0.456SS..Hα-helixtrans-60.2-41176.9-176.30000112.8R345 Q346 T352 R353R345-S349 WeakPolarHBondContact O-CB 3.35Å; R345-S349 PolarHBondContact O-N 2.94Å; Q346-S349 PolarHBondContact O-N 2.88Å; S349-T352 PolarHBondContact O-N 3.33Å; S349-R353 WeakPolarHBondContact O-CB 3.38Å; S349-R353 WeakPolarHBondContact O-CG 3.43Å; S349-R353 PolarHBondContact O-N 2.87Å
350I86.8Confident82.5Confident83 Ų8394.3 Ų94.343%0.42646%0.458SS..Hα-helixtrans-64.9-41.6174.9-68.7163.5000110.8Q346 Q347 A348 K354Q346-I350 HydrophobicContact CG-CD1 4.1Å; Q346-I350 VanDerWaalsContact O-CG1 3.28Å; Q346-I350 WeakPolarHBondContact O-CG1 3.26Å; Q346-I350 PolarHBondContact O-N 3.46Å; Q347-I350 PolarHBondContact O-N 3.04Å; A348-I350 VanDerWaalsContact C-N 3.35Å; A348-I350 PolarHBondContact O-N 2.78Å; I350-K354 HydrophobicContact CG2-CD 4.28Å; I350-K354 WeakPolarHBondContact O-CB 3.43Å; I350-K354 WeakPolarHBondContact O-CG 3.47Å; I350-K354 PolarHBondContact O-N 3.31Å
351I86.1Confident83.4Confident103 Ų10391.8 Ų91.853%0.52845%0.448SS..Hα-helixtrans-65.4-44.1176.4-69.8165000110.7Q347 A348 K354 K355Q347-I351 HydrophobicContact CG-CD1 4.06Å; Q347-I351 WeakPolarHBondContact O-CB 3.47Å; Q347-I351 VanDerWaalsContact O-CG1 3.25Å; Q347-I351 WeakPolarHBondContact O-CG1 3.27Å; Q347-I351 PolarHBondContact O-N 3.44Å; A348-I351 PolarHBondContact O-N 3.18Å; A348-I351 VanDerWaalsContact O-N 3.15Å; I351-K354 PolarHBondContact O-N 2.89Å; I351-K355 WeakPolarHBondContact O-CB 3.35Å; I351-K355 PolarHBondContact O-N 3.3Å
352T84.1Confident83.9Confident58 Ų5891.5 Ų91.536%0.35645%0.447SS..Hα-helixtrans-59.7-51.1175.8-58.10000110.9A348 S349 K354 K355 E356A348-T352 PolarHBondContact O-N 3.43Å; A348-T352 PolarHBondContact O-OG1 3.34Å; S349-T352 PolarHBondContact O-N 3.33Å; T352-K354 VanDerWaalsContact C-N 3.34Å; T352-K354 PolarHBondContact O-N 2.93Å; T352-K355 CarbonylContact O-C 3.6Å; T352-K355 WeakPolarHBondContact O-CA 3.46Å; T352-K355 WeakPolarHBondContact O-CB 3.38Å; T352-K355 PolarHBondContact O-N 2.78Å; T352-E356 HydrophobicContact CG2-CG 4.41Å; T352-E356 WeakPolarHBondContact CG2-OE1 3.16Å; T352-E356 WeakPolarHBondContact O-CG 3.37Å; T352-E356 PolarHBondContact O-N 3.17Å
353R86.5Confident84.3Confident176 Ų17692.7 Ų92.766%0.66445%0.447SS*.Hα-helixtrans-59.8-40.4176.6-74.4179.1178.2-178.10.7113S349 K355 E356 A357S349-R353 WeakPolarHBondContact O-CB 3.38Å; S349-R353 WeakPolarHBondContact O-CG 3.43Å; S349-R353 PolarHBondContact O-N 2.87Å; R353-K355 VanDerWaalsContact C-N 3.34Å; R353-E356 PolarHBondContact O-N 2.83Å; R353-A357 WeakPolarHBondContact O-CB 3.48Å; R353-A357 PolarHBondContact O-N 3.36Å
354K88.2Confident84.8Confident145 Ų14593.4 Ų93.463%0.6345%0.448SS*.Hα-helixtrans-65.3-36.7174.5-77.9-177177.4-172.50112.2I350 I351 T352 K358I350-K354 HydrophobicContact CG2-CD 4.28Å; I350-K354 WeakPolarHBondContact O-CB 3.43Å; I350-K354 WeakPolarHBondContact O-CG 3.47Å; I350-K354 PolarHBondContact O-N 3.31Å; I351-K354 PolarHBondContact O-N 2.89Å; T352-K354 VanDerWaalsContact C-N 3.34Å; T352-K354 PolarHBondContact O-N 2.93Å; K354-K358 WeakPolarHBondContact O-CB 3.36Å; K354-K358 WeakPolarHBondContact O-CG 3.34Å; K354-K358 PolarHBondContact O-N 2.83Å
355K84.9Confident85.1Confident97 Ų9789.3 Ų89.342%0.42244%0.439SS..Hα-helixtrans-70.6-40177-167.9-175.1-176.7-169.20111.6Y275 I351 T352 R353 A359Y275-K355 HydrophobicContact CD2-CD 4.41Å; Y275-K355 VanDerWaalsContact CD2-CE 3.46Å; Y275-K355 HydrophobicContact CE1-CD 4.22Å; Y275-K355 HydrophobicContact CE1-CG 4.1Å; Y275-K355 HydrophobicContact CE2-CD 3.82Å; I351-K355 WeakPolarHBondContact O-CB 3.35Å; I351-K355 PolarHBondContact O-N 3.3Å; T352-K355 CarbonylContact O-C 3.6Å; T352-K355 WeakPolarHBondContact O-CA 3.46Å; T352-K355 WeakPolarHBondContact O-CB 3.38Å; T352-K355 PolarHBondContact O-N 2.78Å; R353-K355 VanDerWaalsContact C-N 3.34Å; K355-A359 VanDerWaalsContact O-CB 3.31Å; K355-A359 WeakPolarHBondContact O-CB 3.47Å; K355-A359 PolarHBondContact O-N 3.28Å
356E84.4Confident85.1Confident70 Ų7087.8 Ų87.833%0.32743%0.434SS..Hα-helixtrans-62.5-54173.9-73.4164.3167.700110.4T352 R353 K358 A359 E360T352-E356 HydrophobicContact CG2-CG 4.41Å; T352-E356 WeakPolarHBondContact CG2-OE1 3.16Å; T352-E356 WeakPolarHBondContact O-CG 3.37Å; T352-E356 PolarHBondContact O-N 3.17Å; R353-E356 PolarHBondContact O-N 2.83Å; E356-K358 VanDerWaalsContact C-N 3.33Å; E356-K358 PolarHBondContact O-N 3.46Å; E356-A359 CarbonylContact O-C 3.59Å; E356-A359 WeakPolarHBondContact O-CA 3.38Å; E356-A359 WeakPolarHBondContact O-CB 3.34Å; E356-A359 PolarHBondContact O-N 2.85Å; E356-E360 WeakPolarHBondContact O-CG 3.33Å; E356-E360 PolarHBondContact O-N 3.03Å
357A87.9Confident85.1Confident40 Ų4087.6 Ų87.633%0.33143%0.433SS..Hα-helixtrans-58-40.5177.400000113R353 E360 E361R353-A357 WeakPolarHBondContact O-CB 3.48Å; R353-A357 PolarHBondContact O-N 3.36Å; A357-E360 PolarHBondContact O-N 3.02Å; A357-E361 WeakPolarHBondContact O-CG 3.43Å; A357-E361 PolarHBondContact O-N 2.99Å
358K85.6Confident85.4Confident125 Ų12588.7 Ų88.754%0.54344%0.438SS..Hα-helixtrans-72.4-25.4174.9-70.5-61.5178.9-153.20113.9K354 E356 E361 L362K354-K358 WeakPolarHBondContact O-CB 3.36Å; K354-K358 WeakPolarHBondContact O-CG 3.34Å; K354-K358 PolarHBondContact O-N 2.83Å; E356-K358 VanDerWaalsContact C-N 3.33Å; E356-K358 PolarHBondContact O-N 3.46Å; K358-E361 VanDerWaalsContact CD-OE2 3.32Å; K358-E361 WeakPolarHBondContact CD-OE2 3.47Å; K358-E361 IonicContact NZ-OE1 3.72Å; K358-E361 PolarHBondContact NZ-OE1 3.36Å; K358-E361 IonicContact NZ-OE2 2.58Å; K358-E361 PolarHBondContact NZ-OE2 3.11Å; K358-L362 WeakPolarHBondContact O-CB 3.46Å; K358-L362 PolarHBondContact O-N 3.38Å
359A82.2Confident85.3Confident4 Ų490.6 Ų90.63%0.03344%0.44CS..Hα-helixtrans-76.6-28.7170.500000112.1F272 Y275 K355 E356 Q363F272-A359 HydrophobicContact CE2-CB 4.39Å; Y275-A359 HydrophobicContact CE1-CB 4.01Å; K355-A359 VanDerWaalsContact O-CB 3.31Å; K355-A359 WeakPolarHBondContact O-CB 3.47Å; K355-A359 PolarHBondContact O-N 3.28Å; E356-A359 CarbonylContact O-C 3.59Å; E356-A359 WeakPolarHBondContact O-CA 3.38Å; E356-A359 WeakPolarHBondContact O-CB 3.34Å; E356-A359 PolarHBondContact O-N 2.85Å; A359-Q363 WeakPolarHBondContact O-CB 3.33Å; A359-Q363 PolarHBondContact O-N 3.05Å; A359-Q363 VanDerWaalsContact O-N 3.09Å
360E85.9Confident85.1Confident97 Ų9789 Ų8945%0.45343%0.43SS..Hα-helixtrans-70.7-52.7170.8-71.7169.1170.400111.1E356 A357 L362 Q363 E364E356-E360 WeakPolarHBondContact O-CG 3.33Å; E356-E360 PolarHBondContact O-N 3.03Å; A357-E360 PolarHBondContact O-N 3.02Å; E360-L362 VanDerWaalsContact C-N 3.26Å; E360-L362 PolarHBondContact O-N 3.46Å; E360-Q363 CarbonylContact O-C 3.6Å; E360-Q363 WeakPolarHBondContact O-CA 3.3Å; E360-Q363 WeakPolarHBondContact O-CB 3.45Å; E360-Q363 PolarHBondContact O-N 2.89Å; E360-E364 WeakPolarHBondContact O-CG 3.3Å; E360-E364 PolarHBondContact O-N 3.41Å
361E89.4Confident85.1Confident96 Ų9686.9 Ų86.945%0.44943%0.426SS..Hα-helixtrans-53-42.1174.6-73.8175.4-147.100112.6A357 K358 Q363 A365A357-E361 WeakPolarHBondContact O-CG 3.43Å; A357-E361 PolarHBondContact O-N 2.99Å; K358-E361 VanDerWaalsContact CD-OE2 3.32Å; K358-E361 WeakPolarHBondContact CD-OE2 3.47Å; K358-E361 IonicContact NZ-OE1 3.72Å; K358-E361 PolarHBondContact NZ-OE1 3.36Å; K358-E361 IonicContact NZ-OE2 2.58Å; K358-E361 PolarHBondContact NZ-OE2 3.11Å; E361-Q363 VanDerWaalsContact C-N 3.35Å; E361-A365 WeakPolarHBondContact O-CB 3.26Å; E361-A365 PolarHBondContact O-N 2.9Å
362L81.3Confident85.1Confident77 Ų7787.3 Ų87.340%0.40343%0.428SS..Hα-helixtrans-71.7-29.9177.5-176.662.8000112.6F272 K358 E360 R366F272-L362 HydrophobicContact CD2-CD2 3.78Å; F272-L362 HydrophobicContact CE2-CD2 3.68Å; F272-L362 HydrophobicContact CG-CD2 4.38Å; F272-L362 HydrophobicContact CZ-CD2 4.18Å; K358-L362 WeakPolarHBondContact O-CB 3.46Å; K358-L362 PolarHBondContact O-N 3.38Å; E360-L362 VanDerWaalsContact C-N 3.26Å; E360-L362 PolarHBondContact O-N 3.46Å; L362-R366 WeakPolarHBondContact O-CB 3.46Å; L362-R366 VanDerWaalsContact O-CG 3.28Å; L362-R366 WeakPolarHBondContact O-CG 3.45Å; L362-R366 PolarHBondContact O-N 3.37Å; L362-R366 VanDerWaalsContact O-N 3.14Å
363Q82.9Confident84.8Confident67 Ų6785.7 Ų85.731%0.31342%0.417SS..Hα-helixtrans-72.3-45.9174.7178.9175.9-16.500110.5A359 E360 E361 R366 E367A359-Q363 WeakPolarHBondContact O-CB 3.33Å; A359-Q363 PolarHBondContact O-N 3.05Å; A359-Q363 VanDerWaalsContact O-N 3.09Å; E360-Q363 CarbonylContact O-C 3.6Å; E360-Q363 WeakPolarHBondContact O-CA 3.3Å; E360-Q363 WeakPolarHBondContact O-CB 3.45Å; E360-Q363 PolarHBondContact O-N 2.89Å; E361-Q363 VanDerWaalsContact C-N 3.35Å; Q363-R366 CarbonylContact O-C 3.48Å; Q363-R366 WeakPolarHBondContact O-CB 3.28Å; Q363-R366 PolarHBondContact O-N 3.06Å; Q363-R366 VanDerWaalsContact O-N 3.15Å; Q363-E367 HydrophobicContact CG-CG 4.49Å; Q363-E367 VanDerWaalsContact CG-OE1 3.25Å; Q363-E367 WeakPolarHBondContact CG-OE1 3.29Å; Q363-E367 PolarHBondContact NE2-OE1 2.93Å; Q363-E367 WeakPolarHBondContact O-CB 3.28Å; Q363-E367 WeakPolarHBondContact O-CG 3.44Å; Q363-E367 PolarHBondContact O-N 3.32Å
364E88.7Confident84.6Confident121 Ų12184.1 Ų84.157%0.56541%0.412SS*.Hα-helixtrans-56.1-51.6173.5-70.4175.5165.800110.8E360 R366 E367 E368E360-E364 WeakPolarHBondContact O-CG 3.3Å; E360-E364 PolarHBondContact O-N 3.41Å; E364-R366 VanDerWaalsContact C-N 3.26Å; E364-R366 PolarHBondContact O-N 2.84Å; E364-E367 CarbonylContact O-C 3.58Å; E364-E367 PolarHBondContact O-N 3.42Å; E364-E368 WeakPolarHBondContact O-CG 3.33Å; E364-E368 PolarHBondContact O-N 2.85Å
365A86.4Confident84.5Confident50 Ų5082.8 Ų82.841%0.41341%0.408SS..Hα-helixtrans-60.7-31.8177.200000113.5E361 L369E361-A365 WeakPolarHBondContact O-CB 3.26Å; E361-A365 PolarHBondContact O-N 2.9Å; A365-L369 WeakPolarHBondContact O-CB 3.41Å; A365-L369 PolarHBondContact O-N 3.5Å
366R80.3Confident84.2Confident101 Ų10182.6 Ų82.638%0.38141%0.411SS..Hα-helixtrans-73.8-36.1173-81.8176.5164.3-164.6-7112.3E269 F272 L362 Q363 E364 A370E269-R366 IonicContact OE1-NH2 2.69Å; F272-R366 VanDerWaalsContact CE1-NH1 3.34Å; L362-R366 WeakPolarHBondContact O-CB 3.46Å; L362-R366 VanDerWaalsContact O-CG 3.28Å; L362-R366 WeakPolarHBondContact O-CG 3.45Å; L362-R366 PolarHBondContact O-N 3.37Å; L362-R366 VanDerWaalsContact O-N 3.14Å; Q363-R366 CarbonylContact O-C 3.48Å; Q363-R366 WeakPolarHBondContact O-CB 3.28Å; Q363-R366 PolarHBondContact O-N 3.06Å; Q363-R366 VanDerWaalsContact O-N 3.15Å; E364-R366 VanDerWaalsContact C-N 3.26Å; E364-R366 PolarHBondContact O-N 2.84Å; R366-A370 WeakPolarHBondContact O-CB 3.4Å; R366-A370 PolarHBondContact O-N 3.16Å
367E84.7Confident83.9Confident113 Ų11383.2 Ų83.253%0.52842%0.416SS..Hα-helixtrans-70.9-38.4176-73.2177.8-15900111.4Q363 E364 A370 A371Q363-E367 HydrophobicContact CG-CG 4.49Å; Q363-E367 VanDerWaalsContact CG-OE1 3.25Å; Q363-E367 WeakPolarHBondContact CG-OE1 3.29Å; Q363-E367 PolarHBondContact NE2-OE1 2.93Å; Q363-E367 WeakPolarHBondContact O-CB 3.28Å; Q363-E367 WeakPolarHBondContact O-CG 3.44Å; Q363-E367 PolarHBondContact O-N 3.32Å; E364-E367 CarbonylContact O-C 3.58Å; E364-E367 PolarHBondContact O-N 3.42Å; E367-A370 PolarHBondContact O-N 3.46Å; E367-A371 WeakPolarHBondContact O-CB 3.48Å; E367-A371 PolarHBondContact O-N 3.43Å
368E89.3Confident83.7Confident134 Ų13486.5 Ų86.563%0.62643%0.425SS*.Hα-helixtrans-61.9-49.1170-73.1-175.4166.500112E364 A370 A371 L372E364-E368 WeakPolarHBondContact O-CG 3.33Å; E364-E368 PolarHBondContact O-N 2.85Å; E368-A370 VanDerWaalsContact C-N 3.3Å; E368-A370 PolarHBondContact O-N 2.88Å; E368-A371 WeakPolarHBondContact O-CB 3.32Å; E368-A371 PolarHBondContact O-N 2.86Å; E368-A371 VanDerWaalsContact O-N 3.12Å; E368-L372 WeakPolarHBondContact O-CG 3.43Å; E368-L372 PolarHBondContact O-N 2.94Å
369L81.4Confident83.5Confident90 Ų9087 Ų8747%0.47143%0.427SS..Hα-helixtrans-59.8-42.9176.3-170.9157000110.8A365 A371 L372 D373A365-L369 WeakPolarHBondContact O-CB 3.41Å; A365-L369 PolarHBondContact O-N 3.5Å; L369-A371 VanDerWaalsContact C-N 3.34Å; L369-A371 PolarHBondContact O-N 3.32Å; L369-L372 PolarHBondContact O-N 3.16Å; L369-D373 WeakPolarHBondContact CD2-OD2 3.47Å; L369-D373 WeakPolarHBondContact O-CB 3.24Å; L369-D373 PolarHBondContact O-N 2.88Å
370A80.8Confident83.1Confident21 Ų2190.5 Ų90.517%0.17445%0.445CS..Hα-helixtrans-65-33.3175.400000113.3R366 E367 E368 R374R366-A370 WeakPolarHBondContact O-CB 3.4Å; R366-A370 PolarHBondContact O-N 3.16Å; E367-A370 PolarHBondContact O-N 3.46Å; E368-A370 VanDerWaalsContact C-N 3.3Å; E368-A370 PolarHBondContact O-N 2.88Å; A370-R374 VanDerWaalsContact O-CG 3.29Å; A370-R374 WeakPolarHBondContact O-CG 3.28Å; A370-R374 PolarHBondContact O-N 2.95Å; A370-R374 VanDerWaalsContact O-N 3.15Å
371A85.8Confident82.6Confident40 Ų4088.2 Ų88.233%0.33144%0.44SS..Hα-helixtrans-70.9-48.2174.400000111.3E367 E368 L369 D373 R374 E375E367-A371 WeakPolarHBondContact O-CB 3.48Å; E367-A371 PolarHBondContact O-N 3.43Å; E368-A371 WeakPolarHBondContact O-CB 3.32Å; E368-A371 PolarHBondContact O-N 2.86Å; E368-A371 VanDerWaalsContact O-N 3.12Å; L369-A371 VanDerWaalsContact C-N 3.34Å; L369-A371 PolarHBondContact O-N 3.32Å; A371-D373 VanDerWaalsContact C-N 3.3Å; A371-D373 PolarHBondContact O-N 3Å; A371-R374 WeakPolarHBondContact O-CB 3.42Å; A371-R374 PolarHBondContact O-N 3.04Å; A371-E375 PolarHBondContact O-N 3.45Å
372L85.5Confident82Confident111 Ų11186.8 Ų86.858%0.58143%0.433SS*.Hα-helixtrans-60.4-37.3175.6-71.1169.4000112.2E368 L369 E375 L376E368-L372 WeakPolarHBondContact O-CG 3.43Å; E368-L372 PolarHBondContact O-N 2.94Å; L369-L372 PolarHBondContact O-N 3.16Å; L372-E375 PolarHBondContact O-N 3.47Å; L372-L376 VanDerWaalsContact O-CB 3.24Å; L372-L376 WeakPolarHBondContact O-CB 3.38Å; L372-L376 PolarHBondContact O-N 2.93Å
373D78.3Confident81.4Confident24 Ų2485.8 Ų85.813%0.12844%0.436CS..Hα-helixtrans-68.5-34.7173.1-92-33.7000112.9K248 L369 A371 N377K248-D373 IonicContact NZ-OD1 2.94Å; K248-D373 PolarHBondContact NZ-OD1 2.92Å; K248-D373 IonicContact NZ-OD2 2.62Å; K248-D373 PolarHBondContact NZ-OD2 3.22Å; L369-D373 WeakPolarHBondContact CD2-OD2 3.47Å; L369-D373 WeakPolarHBondContact O-CB 3.24Å; L369-D373 PolarHBondContact O-N 2.88Å; A371-D373 VanDerWaalsContact C-N 3.3Å; A371-D373 PolarHBondContact O-N 3Å; D373-N377 VanDerWaalsContact O-CB 3.3Å; D373-N377 WeakPolarHBondContact O-CB 3.35Å; D373-N377 VanDerWaalsContact O-CG 3.25Å; D373-N377 PolarHBondContact O-N 2.94Å; D373-N377 PolarHBondContact O-ND2 3.29Å
374R82.4Confident80.5Confident144 Ų14492.4 Ų92.454%0.54346%0.458SS..Hα-helixtrans-65.5-45171.6-73171.1-165.5151.94.2110.8A370 A371 N377 Q378A370-R374 VanDerWaalsContact O-CG 3.29Å; A370-R374 WeakPolarHBondContact O-CG 3.28Å; A370-R374 PolarHBondContact O-N 2.95Å; A370-R374 VanDerWaalsContact O-N 3.15Å; A371-R374 WeakPolarHBondContact O-CB 3.42Å; A371-R374 PolarHBondContact O-N 3.04Å; R374-N377 PolarHBondContact O-N 3.27Å; R374-Q378 WeakPolarHBondContact O-CB 3.35Å; R374-Q378 PolarHBondContact O-N 2.99Å
375E85.6Confident79.5Confident117 Ų11793 Ų9355%0.54747%0.466SS..Hα-helixtrans-61.3-45.5175.4-71-171.2171.900111.6A371 L372 N377 Q378 K379A371-E375 PolarHBondContact O-N 3.45Å; L372-E375 PolarHBondContact O-N 3.47Å; E375-N377 VanDerWaalsContact C-N 3.33Å; E375-N377 PolarHBondContact O-N 2.87Å; E375-Q378 CarbonylContact O-C 3.57Å; E375-Q378 PolarHBondContact O-N 3.3Å; E375-K379 WeakPolarHBondContact O-CB 3.47Å; E375-K379 VanDerWaalsContact O-CG 3.3Å; E375-K379 WeakPolarHBondContact O-CG 3.25Å; E375-K379 PolarHBondContact O-N 2.87Å
376L79.1Confident78.4Confident93 Ų9398.2 Ų98.249%0.48748%0.481SS..Hα-helixtrans-62.5-40.1177.8-174.1149.9000111.6L372 N380L372-L376 VanDerWaalsContact O-CB 3.24Å; L372-L376 WeakPolarHBondContact O-CB 3.38Å; L372-L376 PolarHBondContact O-N 2.93Å; L376-N380 VanDerWaalsContact CD2-ND2 3.28Å; L376-N380 WeakPolarHBondContact CD2-ND2 3.33Å; L376-N380 WeakPolarHBondContact O-CB 3.43Å; L376-N380 PolarHBondContact O-N 3.43Å; L376-N380 PolarHBondContact O-ND2 3.28Å
377N78.4Confident76.9Confident83 Ų8397.7 Ų97.744%0.44449%0.486SS..Hα-helixtrans-68-39.1173.4-75.4-35.8000112.4D373 R374 E375 N380 S381D373-N377 VanDerWaalsContact O-CB 3.3Å; D373-N377 WeakPolarHBondContact O-CB 3.35Å; D373-N377 VanDerWaalsContact O-CG 3.25Å; D373-N377 PolarHBondContact O-N 2.94Å; D373-N377 PolarHBondContact O-ND2 3.29Å; R374-N377 PolarHBondContact O-N 3.27Å; E375-N377 VanDerWaalsContact C-N 3.33Å; E375-N377 PolarHBondContact O-N 2.87Å; N377-N380 PolarHBondContact O-N 2.84Å; N377-S381 PolarHBondContact O-N 3.47Å; N377-S381 PolarHBondContact O-OG 3.41Å
378Q83.6Confident75.2Confident109 Ų10996.6 Ų96.651%0.50951%0.505SS..Hα-helixtrans-65.9-38.4175.2-169.4-177.126.200111.8R374 E375 S381 Q382R374-Q378 WeakPolarHBondContact O-CB 3.35Å; R374-Q378 PolarHBondContact O-N 2.99Å; E375-Q378 CarbonylContact O-C 3.57Å; E375-Q378 PolarHBondContact O-N 3.3Å; Q378-S381 WeakPolarHBondContact CA-OG 3.19Å; Q378-S381 PolarHBondContact O-OG 2.94Å; Q378-Q382 VanDerWaalsContact O-CB 3.3Å; Q378-Q382 WeakPolarHBondContact O-CB 3.36Å; Q378-Q382 WeakPolarHBondContact O-CG 3.17Å; Q378-Q382 PolarHBondContact O-N 3.4Å
379K82.6Confident73.4Confident134 Ų13496.8 Ų96.858%0.58351%0.51SS*.Hα-helixtrans-68.4-38.8172.8-68.7-63.1178.2-169.30111.8E375 A383E375-K379 WeakPolarHBondContact O-CB 3.47Å; E375-K379 VanDerWaalsContact O-CG 3.3Å; E375-K379 WeakPolarHBondContact O-CG 3.25Å; E375-K379 PolarHBondContact O-N 2.87Å; K379-A383 VanDerWaalsContact O-CB 3.24Å; K379-A383 WeakPolarHBondContact O-CB 3.42Å; K379-A383 PolarHBondContact O-N 2.87Å
380N72.4Confident72.2Confident79 Ų79101.2 Ų101.242%0.42253%0.528SS..Hα-helixtrans-68-35.1174.6-82.4-31.4000113.1L376 N377 R384L376-N380 VanDerWaalsContact CD2-ND2 3.28Å; L376-N380 WeakPolarHBondContact CD2-ND2 3.33Å; L376-N380 WeakPolarHBondContact O-CB 3.43Å; L376-N380 PolarHBondContact O-N 3.43Å; L376-N380 PolarHBondContact O-ND2 3.28Å; N377-N380 PolarHBondContact O-N 2.84Å; N380-R384 WeakPolarHBondContact O-CG 3.44Å; N380-R384 PolarHBondContact O-N 3.31Å
381S75.3Confident71Confident48 Ų48105 Ų10534%0.33655%0.549SS..Hα-helixtrans-71.7-47.3172.559.70000110.6N377 Q378 A383 R384 D385N377-S381 PolarHBondContact O-N 3.47Å; N377-S381 PolarHBondContact O-OG 3.41Å; Q378-S381 WeakPolarHBondContact CA-OG 3.19Å; Q378-S381 PolarHBondContact O-OG 2.94Å; S381-A383 VanDerWaalsContact C-N 3.26Å; S381-A383 PolarHBondContact O-N 3.03Å; S381-R384 CarbonylContact O-C 3.55Å; S381-R384 WeakPolarHBondContact O-CA 3.45Å; S381-R384 WeakPolarHBondContact O-CB 3.33Å; S381-R384 PolarHBondContact O-N 3.12Å; S381-D385 WeakPolarHBondContact O-CB 3.31Å; S381-D385 PolarHBondContact O-N 3.15Å; S381-D385 VanDerWaalsContact O-OD2 3.14Å
382Q78.2Confident69.7Low67 Ų67107 Ų10731%0.31355%0.553SS.*Hα-helixtrans-54.2-40.7173.4-75.61710.800112.6Q378 R384 D385 Q386Q378-Q382 VanDerWaalsContact O-CB 3.3Å; Q378-Q382 WeakPolarHBondContact O-CB 3.36Å; Q378-Q382 WeakPolarHBondContact O-CG 3.17Å; Q378-Q382 PolarHBondContact O-N 3.4Å; Q382-R384 VanDerWaalsContact C-N 3.32Å; Q382-R384 PolarHBondContact O-N 2.9Å; Q382-D385 PolarHBondContact O-N 3.44Å; Q382-Q386 VanDerWaalsContact O-CB 3.28Å; Q382-Q386 WeakPolarHBondContact O-CB 3.5Å; Q382-Q386 VanDerWaalsContact O-CG 3.24Å; Q382-Q386 WeakPolarHBondContact O-CG 3.32Å; Q382-Q386 PolarHBondContact O-N 2.92Å
383A66.8Low69Low56 Ų56111.1 Ų111.146%0.46356%0.561SS.*Hα-helixtrans-71.1-21.517600000114.2K379 S381K379-A383 VanDerWaalsContact O-CB 3.24Å; K379-A383 WeakPolarHBondContact O-CB 3.42Å; K379-A383 PolarHBondContact O-N 2.87Å; S381-A383 VanDerWaalsContact C-N 3.26Å; S381-A383 PolarHBondContact O-N 3.03Å
384R65.5Low68.5Low205 Ų205112.2 Ų112.277%0.77458%0.578SS**Hα-helixtrans-85.6-31.6171.1-76.8174.6168.7-163.4-5.3112.7N380 S381 Q382N380-R384 WeakPolarHBondContact O-CG 3.44Å; N380-R384 PolarHBondContact O-N 3.31Å; S381-R384 CarbonylContact O-C 3.55Å; S381-R384 WeakPolarHBondContact O-CA 3.45Å; S381-R384 WeakPolarHBondContact O-CB 3.33Å; S381-R384 PolarHBondContact O-N 3.12Å; Q382-R384 VanDerWaalsContact C-N 3.32Å; Q382-R384 PolarHBondContact O-N 2.9Å
385D67.1Low67.9Low135 Ų135110.5 Ų110.572%0.72258%0.58SS**Hα-helixtrans-82.9-22.8-178.2-58.3-29000111.8S381 Q382S381-D385 WeakPolarHBondContact O-CB 3.31Å; S381-D385 PolarHBondContact O-N 3.15Å; S381-D385 VanDerWaalsContact O-OD2 3.14Å; Q382-D385 PolarHBondContact O-N 3.44Å
386Q62.8Low67.1Low158 Ų158110.4 Ų110.474%0.73858%0.58SS**Hα-helixtrans-88.8-31.2177.3-73.1178.5-2.700114.1Q382Q382-Q386 VanDerWaalsContact O-CB 3.28Å; Q382-Q386 WeakPolarHBondContact O-CB 3.5Å; Q382-Q386 VanDerWaalsContact O-CG 3.24Å; Q382-Q386 WeakPolarHBondContact O-CG 3.32Å; Q382-Q386 PolarHBondContact O-N 2.92Å
387D48.8Very low66.9Low91 Ų91111.5 Ų111.549%0.48758%0.581SS.*  trans-111.797.6178-91.5-38.5000110.8D389 V391D387-D389 PolarHBondContact O-N 3.47Å; D387-V391 HydrophobicContact CB-CG2 4.06Å; D387-V391 WeakPolarHBondContact OD2-CG2 3.47Å
388G50.1Low66.9Low89 Ų89114.2 Ų114.292%0.91859%0.588SS**  trans-75.5-0.3167.500000114.1
389D51.5Low66.7Low138 Ų138117.6 Ų117.674%0.73860%0.597SS**SBendtrans-112.6131.5175.9-1412.3000108.4D387 V391D387-D389 PolarHBondContact O-N 3.47Å; D389-V391 PolarHBondContact O-N 3.49Å
390E55.6Low66.5Low184 Ų184116.3 Ų116.386%0.8659%0.591SS**  trans-63.2108.6-175.2-73.7-171.7132.200110.8I392E390-I392 VanDerWaalsContact C-N 3.29Å; E390-I392 WeakPolarHBondContact O-CG1 3.41Å; E390-I392 PolarHBondContact O-N 3.5Å
391V56.5Low67Low99 Ų99115.5 Ų115.560%0.659%0.589SS**  trans-65.791.1173.3-177.30000109.7D387 D389 R393D387-V391 HydrophobicContact CB-CG2 4.06Å; D387-V391 WeakPolarHBondContact OD2-CG2 3.47Å; D389-V391 PolarHBondContact O-N 3.49Å; V391-R393 WeakPolarHBondContact O-CG 3.26Å; V391-R393 PolarHBondContact O-N 2.63Å
392I57.4Low67.6Low83 Ų83115 Ų11543%0.42659%0.592SS.*  trans-52.5104.9178.8-58.4-177.6000109E390 E396 F397E390-I392 VanDerWaalsContact C-N 3.29Å; E390-I392 WeakPolarHBondContact O-CG1 3.41Å; E390-I392 PolarHBondContact O-N 3.5Å; I392-E396 VanDerWaalsContact CG2-C 3.49Å; I392-E396 HydrophobicContact CG2-CB 3.42Å; I392-E396 VanDerWaalsContact CG2-CB 3.42Å; I392-F397 HydrophobicContact CG2-CB 4.21Å
393R70.2Confident67.9Low197 Ų197118.6 Ų118.674%0.74361%0.606SS**  trans-70.6160.6-173.7-66-171.5-174.8-166.9-0.2111.3V391 D395 E396 F397V391-R393 WeakPolarHBondContact O-CG 3.26Å; V391-R393 PolarHBondContact O-N 2.63Å; R393-D395 VanDerWaalsContact C-N 3.29Å; R393-D395 PolarHBondContact O-N 2.68Å; R393-E396 WeakPolarHBondContact O-CA 3.46Å; R393-E396 WeakPolarHBondContact O-CB 3.45Å; R393-E396 PolarHBondContact O-N 3.02Å; R393-F397 PolarHBondContact O-N 3.41Å
394G68.3Low68.9Low48 Ų48120.9 Ų120.950%0.49561%0.61SS.*Hα-helixtrans-47.1-36.7-161.900000117.6K398G394-K398 VanDerWaalsContact O-CG 3.26Å; G394-K398 WeakPolarHBondContact O-CG 3.37Å; G394-K398 PolarHBondContact O-N 3.45Å
395D70.4Confident69.9Low108 Ų108120.6 Ų120.658%0.57861%0.609SS**Hα-helixtrans-79.6-30.8178.6-74.2-18.6000113.6R393 K398 R399R393-D395 VanDerWaalsContact C-N 3.29Å; R393-D395 PolarHBondContact O-N 2.68Å; D395-K398 IonicContact OD1-NZ 3.96Å; D395-K398 PolarHBondContact OD1-NZ 2.83Å; D395-R399 VanDerWaalsContact O-CG 3.27Å; D395-R399 WeakPolarHBondContact O-CG 3.46Å; D395-R399 PolarHBondContact O-N 3.22Å
396E69.6Low70.9Confident115 Ų115117 Ų11754%0.53760%0.595SS.*Hα-helixtrans-72.4-35.5170.2-61.9178.4143.500110.3I392 R393 R399 F400I392-E396 VanDerWaalsContact CG2-C 3.49Å; I392-E396 HydrophobicContact CG2-CB 3.42Å; I392-E396 VanDerWaalsContact CG2-CB 3.42Å; R393-E396 WeakPolarHBondContact O-CA 3.46Å; R393-E396 WeakPolarHBondContact O-CB 3.45Å; R393-E396 PolarHBondContact O-N 3.02Å; E396-R399 CarbonylContact O-C 3.59Å; E396-R399 WeakPolarHBondContact O-CB 3.34Å; E396-R399 PolarHBondContact O-N 3.4Å; E396-F400 WeakPolarHBondContact O-CB 3.43Å; E396-F400 PolarHBondContact O-N 2.85Å
397F73.6Confident72.1Confident116 Ų116117 Ų11751%0.50959%0.592SS.*Hα-helixtrans-65.5-43.3172.5-173.9-101.2000111.4I392 R393 R399 F400 V401I392-F397 HydrophobicContact CG2-CB 4.21Å; R393-F397 PolarHBondContact O-N 3.41Å; F397-R399 VanDerWaalsContact C-N 3.33Å; F397-R399 PolarHBondContact O-N 3.19Å; F397-F400 WeakPolarHBondContact O-CB 3.48Å; F397-F400 PolarHBondContact O-N 3.23Å; F397-F400 VanDerWaalsContact O-N 3.17Å; F397-V401 HydrophobicContact CD1-CG2 4.02Å; F397-V401 HydrophobicContact CE1-CG2 3.64Å; F397-V401 HydrophobicContact CE2-CG2 4.31Å; F397-V401 HydrophobicContact CZ-CG2 3.8Å; F397-V401 WeakPolarHBondContact O-CB 3.25Å; F397-V401 WeakPolarHBondContact O-CG2 3.27Å; F397-V401 PolarHBondContact O-N 3.28Å
398K79.4Confident74.1Confident140 Ų140114.1 Ų114.161%0.60959%0.585SS**Hα-helixtrans-58.1-43170.5-75.1169.6-161.6159.20111.8G394 D395 G402G394-K398 VanDerWaalsContact O-CG 3.26Å; G394-K398 WeakPolarHBondContact O-CG 3.37Å; G394-K398 PolarHBondContact O-N 3.45Å; D395-K398 IonicContact OD1-NZ 3.96Å; D395-K398 PolarHBondContact OD1-NZ 2.83Å; K398-G402 PolarHBondContact O-N 3.32Å
399R79.6Confident76.1Confident180 Ų180114.1 Ų114.168%0.67957%0.567SS**Hα-helixtrans-64-38.8175-73.9169.8178.4-171.10.6111.8D395 E396 F397 G402 K403D395-R399 VanDerWaalsContact O-CG 3.27Å; D395-R399 WeakPolarHBondContact O-CG 3.46Å; D395-R399 PolarHBondContact O-N 3.22Å; E396-R399 CarbonylContact O-C 3.59Å; E396-R399 WeakPolarHBondContact O-CB 3.34Å; E396-R399 PolarHBondContact O-N 3.4Å; F397-R399 VanDerWaalsContact C-N 3.33Å; F397-R399 PolarHBondContact O-N 3.19Å; R399-G402 PolarHBondContact O-N 3.31Å; R399-K403 WeakPolarHBondContact O-CB 3.29Å; R399-K403 WeakPolarHBondContact O-CG 3.49Å; R399-K403 PolarHBondContact O-N 2.9Å
400F77.5Confident77.9Confident106 Ų106111.7 Ų111.747%0.46556%0.557SS.*Hα-helixtrans-66.3-49.8176-177.9-99.6000111.7E396 F397 G402 K403 L404E396-F400 WeakPolarHBondContact O-CB 3.43Å; E396-F400 PolarHBondContact O-N 2.85Å; F397-F400 WeakPolarHBondContact O-CB 3.48Å; F397-F400 PolarHBondContact O-N 3.23Å; F397-F400 VanDerWaalsContact O-N 3.17Å; F400-G402 VanDerWaalsContact C-N 3.29Å; F400-G402 PolarHBondContact O-N 3.39Å; F400-K403 CarbonylContact O-C 3.34Å; F400-K403 WeakPolarHBondContact O-CB 3.32Å; F400-K403 PolarHBondContact O-N 2.95Å; F400-K403 VanDerWaalsContact O-N 3.15Å; F400-L404 HydrophobicContact CE1-CD1 4.26Å; F400-L404 HydrophobicContact CZ-CD1 4.19Å; F400-L404 WeakPolarHBondContact O-CB 3.48Å; F400-L404 PolarHBondContact O-N 3.04Å
401V83.7Confident79.7Confident62 Ų62109.4 Ų109.438%0.37654%0.544SS..Hα-helixtrans-60-38.6174.3172.40000111.4F397 L404 R405F397-V401 HydrophobicContact CD1-CG2 4.02Å; F397-V401 HydrophobicContact CE1-CG2 3.64Å; F397-V401 HydrophobicContact CE2-CG2 4.31Å; F397-V401 HydrophobicContact CZ-CG2 3.8Å; F397-V401 WeakPolarHBondContact O-CB 3.25Å; F397-V401 WeakPolarHBondContact O-CG2 3.27Å; F397-V401 PolarHBondContact O-N 3.28Å; V401-L404 PolarHBondContact O-N 2.91Å; V401-R405 WeakPolarHBondContact O-CB 3.43Å; V401-R405 PolarHBondContact O-N 2.78Å
402G86.5Confident81.4Confident39 Ų39112 Ų11240%0.40255%0.548SS..Hα-helixtrans-60.9-48.2172.200000112.7K398 R399 F400 L404 R405 S406K398-G402 PolarHBondContact O-N 3.32Å; R399-G402 PolarHBondContact O-N 3.31Å; F400-G402 VanDerWaalsContact C-N 3.29Å; F400-G402 PolarHBondContact O-N 3.39Å; G402-L404 VanDerWaalsContact C-N 3.32Å; G402-L404 PolarHBondContact O-N 3.07Å; G402-R405 PolarHBondContact O-N 2.98Å; G402-S406 PolarHBondContact O-N 3.29Å; G402-S406 PolarHBondContact O-OG 2.96Å
403K85.3Confident83Confident141 Ų141114.6 Ų114.661%0.61356%0.555SS**Hα-helixtrans-62.2-35.7173.1-75.3174178.7178.70112.4R399 F400 S406 K407R399-K403 WeakPolarHBondContact O-CB 3.29Å; R399-K403 WeakPolarHBondContact O-CG 3.49Å; R399-K403 PolarHBondContact O-N 2.9Å; F400-K403 CarbonylContact O-C 3.34Å; F400-K403 WeakPolarHBondContact O-CB 3.32Å; F400-K403 PolarHBondContact O-N 2.95Å; F400-K403 VanDerWaalsContact O-N 3.15Å; K403-S406 PolarHBondContact O-OG 3.42Å; K403-S406 VanDerWaalsContact O-OG 3.1Å; K403-K407 WeakPolarHBondContact O-CB 3.25Å; K403-K407 VanDerWaalsContact O-CG 3.31Å; K403-K407 WeakPolarHBondContact O-CG 3.38Å; K403-K407 PolarHBondContact O-N 3.02Å
404L87.1Confident84Confident105 Ų105110.5 Ų110.555%0.5554%0.543SS..Hα-helixtrans-69.9-44177.9-152.787.5000110.8F400 V401 G402 K407 G408F400-L404 HydrophobicContact CE1-CD1 4.26Å; F400-L404 HydrophobicContact CZ-CD1 4.19Å; F400-L404 WeakPolarHBondContact O-CB 3.48Å; F400-L404 PolarHBondContact O-N 3.04Å; V401-L404 PolarHBondContact O-N 2.91Å; G402-L404 VanDerWaalsContact C-N 3.32Å; G402-L404 PolarHBondContact O-N 3.07Å; L404-K407 PolarHBondContact O-N 3.38Å; L404-G408 PolarHBondContact O-N 2.81Å
405R87Confident85.2Confident198 Ų198116.3 Ų116.375%0.74755%0.55SS**Hα-helixtrans-64.6-40.6176.6-175.4178.1-86-172.2-5.6111.5V401 G402 G408 T409V401-R405 WeakPolarHBondContact O-CB 3.43Å; V401-R405 PolarHBondContact O-N 2.78Å; G402-R405 PolarHBondContact O-N 2.98Å; R405-G408 PolarHBondContact O-N 3.02Å; R405-T409 PolarHBondContact O-N 2.9Å; R405-T409 PolarHBondContact O-OG1 2.97Å
406S87.6Confident86.2Confident60 Ų60116.6 Ų116.642%0.4255%0.548SS..Hα-helixtrans-70.3-38.7175.667.20000112.8G402 K403 G408 T409 V410G402-S406 PolarHBondContact O-N 3.29Å; G402-S406 PolarHBondContact O-OG 2.96Å; K403-S406 PolarHBondContact O-OG 3.42Å; K403-S406 VanDerWaalsContact O-OG 3.1Å; S406-G408 VanDerWaalsContact C-N 3.28Å; S406-G408 PolarHBondContact O-N 3.23Å; S406-T409 PolarHBondContact O-N 3.32Å; S406-T409 PolarHBondContact O-OG1 3.4Å; S406-V410 VanDerWaalsContact O-CG2 3.31Å; S406-V410 WeakPolarHBondContact O-CG2 3.45Å; S406-V410 PolarHBondContact O-N 2.96Å
407K89.3Confident87.3Confident157 Ų157113.8 Ų113.868%0.68354%0.535SS*.Hα-helixtrans-59.8-39.4168.4-77.8-178.4176.3-172.20111.7K403 L404 V410 F411K403-K407 WeakPolarHBondContact O-CB 3.25Å; K403-K407 VanDerWaalsContact O-CG 3.31Å; K403-K407 WeakPolarHBondContact O-CG 3.38Å; K403-K407 PolarHBondContact O-N 3.02Å; L404-K407 PolarHBondContact O-N 3.38Å; K407-V410 PolarHBondContact O-N 2.77Å; K407-F411 WeakPolarHBondContact O-CB 3.34Å; K407-F411 PolarHBondContact O-N 2.9Å
408G90.8Very high88.2Confident32 Ų32112.6 Ų112.633%0.3353%0.533SS..Hα-helixtrans-64.3-39.5176.300000114.1L404 R405 S406 K412L404-G408 PolarHBondContact O-N 2.81Å; R405-G408 PolarHBondContact O-N 3.02Å; S406-G408 VanDerWaalsContact C-N 3.28Å; S406-G408 PolarHBondContact O-N 3.23Å; G408-K412 WeakPolarHBondContact O-CG 3.36Å; G408-K412 PolarHBondContact O-N 3.07Å; G408-K412 VanDerWaalsContact O-N 3.1Å
409T90.4Very high88.8Confident88 Ų88110.1 Ų110.154%0.5453%0.53SS..Hα-helixtrans-71.5-40.4174.353.30000112R405 S406 F411 K412 K413R405-T409 PolarHBondContact O-N 2.9Å; R405-T409 PolarHBondContact O-OG1 2.97Å; S406-T409 PolarHBondContact O-N 3.32Å; S406-T409 PolarHBondContact O-OG1 3.4Å; T409-F411 PolarHBondContact O-N 3.46Å; T409-K412 PolarHBondContact O-N 2.85Å; T409-K413 PolarHBondContact O-N 3.42Å
410V90.8Very high89.4Confident88 Ų88106 Ų10653%0.53352%0.518SS..Hα-helixtrans-59.9-45173.3170.80000111.1S406 K407 K412 K413 K414S406-V410 VanDerWaalsContact O-CG2 3.31Å; S406-V410 WeakPolarHBondContact O-CG2 3.45Å; S406-V410 PolarHBondContact O-N 2.96Å; K407-V410 PolarHBondContact O-N 2.77Å; V410-K412 PolarHBondContact O-N 3.3Å; V410-K413 PolarHBondContact O-N 3.4Å; V410-K414 HydrophobicContact CG1-CG 4.46Å; V410-K414 PolarHBondContact O-N 2.91Å
411F92.1Very high90.1Very high135 Ų135106.1 Ų106.159%0.59252%0.523SS*.Hα-helixtrans-59.8-46.3175.9176-97.4000112.1K407 T409 K413 K414 R415K407-F411 WeakPolarHBondContact O-CB 3.34Å; K407-F411 PolarHBondContact O-N 2.9Å; T409-F411 PolarHBondContact O-N 3.46Å; F411-K413 PolarHBondContact O-N 2.83Å; F411-K414 PolarHBondContact O-N 3.15Å; F411-R415 WeakPolarHBondContact O-CB 3.38Å; F411-R415 PolarHBondContact O-N 3.14Å
412K93Very high90.4Very high155 Ų155112.1 Ų112.167%0.67454%0.539SS*.Hα-helixtrans-59.9-44.8176.1-75.7-179.5178.3-173.40111.8G408 T409 V410 R415 Q416G408-K412 WeakPolarHBondContact O-CG 3.36Å; G408-K412 PolarHBondContact O-N 3.07Å; G408-K412 VanDerWaalsContact O-N 3.1Å; T409-K412 PolarHBondContact O-N 2.85Å; V410-K412 PolarHBondContact O-N 3.3Å; K412-R415 PolarHBondContact O-N 3.22Å; K412-Q416 PolarHBondContact O-N 2.92Å
413K91.2Very high90.7Very high136 Ų136113.2 Ų113.259%0.59154%0.544SS*.Hα-helixtrans-61.4-48.3176.7-168.7-175.6177.9-174.20111.5T409 V410 F411 R415 Q416 E417T409-K413 PolarHBondContact O-N 3.42Å; V410-K413 PolarHBondContact O-N 3.4Å; F411-K413 PolarHBondContact O-N 2.83Å; K413-R415 VanDerWaalsContact C-N 3.3Å; K413-R415 PolarHBondContact O-N 2.79Å; K413-Q416 WeakPolarHBondContact O-CB 3.22Å; K413-Q416 PolarHBondContact O-N 2.93Å; K413-Q416 VanDerWaalsContact O-N 3.07Å; K413-E417 WeakPolarHBondContact CE-OE1 3.35Å; K413-E417 IonicContact NZ-OE1 2.94Å; K413-E417 WeakPolarHBondContact O-CG 3.48Å; K413-E417 PolarHBondContact O-N 3.17Å
414K90.4Very high91Very high111 Ų111112.1 Ų112.148%0.48354%0.541SS..Hα-helixtrans-62.4-34.6176.7-70.7-46.7-165.7-173.40113.1V410 F411 Q416 E417 I418V410-K414 HydrophobicContact CG1-CG 4.46Å; V410-K414 PolarHBondContact O-N 2.91Å; F411-K414 PolarHBondContact O-N 3.15Å; K414-Q416 VanDerWaalsContact C-N 3.34Å; K414-E417 WeakPolarHBondContact CD-OE2 3.4Å; K414-E417 WeakPolarHBondContact CE-OE2 3.21Å; K414-E417 IonicContact NZ-OE1 3.46Å; K414-E417 PolarHBondContact NZ-OE1 2.76Å; K414-E417 IonicContact NZ-OE2 3.84Å; K414-E417 PolarHBondContact NZ-OE2 2.89Å; K414-I418 WeakPolarHBondContact O-CD1 3.25Å; K414-I418 VanDerWaalsContact O-CG1 3.26Å; K414-I418 WeakPolarHBondContact O-CG1 3.32Å; K414-I418 PolarHBondContact O-N 3.5Å
415R92.9Very high91.2Very high170 Ų170114.6 Ų114.664%0.64254%0.544SS*.Hα-helixtrans-67.1-35.5173.4-159.9174.693.1163.77.8112.1F411 K412 K413 T419F411-R415 WeakPolarHBondContact O-CB 3.38Å; F411-R415 PolarHBondContact O-N 3.14Å; K412-R415 PolarHBondContact O-N 3.22Å; K413-R415 VanDerWaalsContact C-N 3.3Å; K413-R415 PolarHBondContact O-N 2.79Å; R415-T419 PolarHBondContact O-N 2.78Å; R415-T419 PolarHBondContact O-OG1 3.28Å
416Q93.4Very high91.5Very high115 Ų115107 Ų10754%0.53753%0.527SS..Hα-helixtrans-69-48.9174.4178.9173-11.200111.5K412 K413 K414 I418 T419 E420K412-Q416 PolarHBondContact O-N 2.92Å; K413-Q416 WeakPolarHBondContact O-CB 3.22Å; K413-Q416 PolarHBondContact O-N 2.93Å; K413-Q416 VanDerWaalsContact O-N 3.07Å; K414-Q416 VanDerWaalsContact C-N 3.34Å; Q416-I418 VanDerWaalsContact C-N 3.28Å; Q416-I418 PolarHBondContact O-N 2.86Å; Q416-T419 CarbonylContact O-C 3.59Å; Q416-T419 WeakPolarHBondContact O-CA 3.34Å; Q416-T419 WeakPolarHBondContact O-CB 3.28Å; Q416-T419 PolarHBondContact O-N 3.38Å; Q416-E420 HydrophobicContact CG-CG 4.4Å; Q416-E420 WeakPolarHBondContact CG-OE1 3.5Å; Q416-E420 PolarHBondContact NE2-OE1 3.46Å; Q416-E420 PolarHBondContact O-N 3.46Å
417E92.3Very high91.7Very high55 Ų55108.7 Ų108.726%0.25754%0.535SS..Hα-helixtrans-54.2-42.7175.3-69.1171.6-158.600111.7K413 K414 T419 E420 L421K413-E417 WeakPolarHBondContact CE-OE1 3.35Å; K413-E417 IonicContact NZ-OE1 2.94Å; K413-E417 WeakPolarHBondContact O-CG 3.48Å; K413-E417 PolarHBondContact O-N 3.17Å; K414-E417 WeakPolarHBondContact CD-OE2 3.4Å; K414-E417 WeakPolarHBondContact CE-OE2 3.21Å; K414-E417 IonicContact NZ-OE1 3.46Å; K414-E417 PolarHBondContact NZ-OE1 2.76Å; K414-E417 IonicContact NZ-OE2 3.84Å; K414-E417 PolarHBondContact NZ-OE2 2.89Å; E417-T419 VanDerWaalsContact C-N 3.28Å; E417-T419 PolarHBondContact O-N 3.07Å; E417-E420 PolarHBondContact O-N 3.15Å; E417-L421 WeakPolarHBondContact O-CB 3.48Å; E417-L421 WeakPolarHBondContact O-CG 3.37Å; E417-L421 PolarHBondContact O-N 2.97Å
418I91.3Very high91.8Very high91 Ų91106.5 Ų106.547%0.46753%0.53SS..Hα-helixtrans-64.3-31.3174.3-69.8165.6000112.5K414 Q416 R422K414-I418 WeakPolarHBondContact O-CD1 3.25Å; K414-I418 VanDerWaalsContact O-CG1 3.26Å; K414-I418 WeakPolarHBondContact O-CG1 3.32Å; K414-I418 PolarHBondContact O-N 3.5Å; Q416-I418 VanDerWaalsContact C-N 3.28Å; Q416-I418 PolarHBondContact O-N 2.86Å; I418-R422 WeakPolarHBondContact O-CB 3.47Å; I418-R422 WeakPolarHBondContact O-CD 3.4Å; I418-R422 VanDerWaalsContact O-CG 3.24Å; I418-R422 WeakPolarHBondContact O-CG 3.38Å; I418-R422 PolarHBondContact O-N 3.2Å
419T92.8Very high91.8Very high88 Ų88109 Ų10954%0.5453%0.533SS..Hα-helixtrans-76-40.9178.9-530000110.9R415 Q416 E417 R422 A423R415-T419 PolarHBondContact O-N 2.78Å; R415-T419 PolarHBondContact O-OG1 3.28Å; Q416-T419 CarbonylContact O-C 3.59Å; Q416-T419 WeakPolarHBondContact O-CA 3.34Å; Q416-T419 WeakPolarHBondContact O-CB 3.28Å; Q416-T419 PolarHBondContact O-N 3.38Å; E417-T419 VanDerWaalsContact C-N 3.28Å; E417-T419 PolarHBondContact O-N 3.07Å; T419-R422 PolarHBondContact O-N 2.85Å; T419-A423 PolarHBondContact O-N 3.2Å; T419-A423 VanDerWaalsContact O-N 3.08Å
420E92.1Very high91.9Very high93 Ų93113.2 Ų113.244%0.43554%0.539SS..Hα-helixtrans-62.6-50.3175.1-70.7162.5177.300110.8Q416 E417 R422 A423 E424Q416-E420 HydrophobicContact CG-CG 4.4Å; Q416-E420 WeakPolarHBondContact CG-OE1 3.5Å; Q416-E420 PolarHBondContact NE2-OE1 3.46Å; Q416-E420 PolarHBondContact O-N 3.46Å; E417-E420 PolarHBondContact O-N 3.15Å; E420-R422 VanDerWaalsContact C-N 3.27Å; E420-R422 PolarHBondContact O-N 3.05Å; E420-A423 WeakPolarHBondContact O-CA 3.43Å; E420-A423 WeakPolarHBondContact O-CB 3.47Å; E420-A423 PolarHBondContact O-N 2.79Å; E420-E424 PolarHBondContact O-N 3.14Å
421L91.1Very high91.9Very high110 Ų110111.9 Ų111.958%0.57653%0.532SS*.Hα-helixtrans-58.9-34176-72.9171.5000113.5E417 Y425E417-L421 WeakPolarHBondContact O-CB 3.48Å; E417-L421 WeakPolarHBondContact O-CG 3.37Å; E417-L421 PolarHBondContact O-N 2.97Å; L421-Y425 VanDerWaalsContact O-CB 3.29Å; L421-Y425 WeakPolarHBondContact O-CB 3.45Å; L421-Y425 PolarHBondContact O-N 3.34Å
422R90.9Very high91.8Very high188 Ų188110.3 Ų110.371%0.70953%0.526SS*.Hα-helixtrans-70.5-35.9174.1-78173178.4-159.9-1.8112.6I418 T419 E420 G426I418-R422 WeakPolarHBondContact O-CB 3.47Å; I418-R422 WeakPolarHBondContact O-CD 3.4Å; I418-R422 VanDerWaalsContact O-CG 3.24Å; I418-R422 WeakPolarHBondContact O-CG 3.38Å; I418-R422 PolarHBondContact O-N 3.2Å; T419-R422 PolarHBondContact O-N 2.85Å; E420-R422 VanDerWaalsContact C-N 3.27Å; E420-R422 PolarHBondContact O-N 3.05Å; R422-G426 PolarHBondContact O-N 2.84Å; R422-G426 VanDerWaalsContact O-N 3.13Å
423A92.1Very high91.7Very high61 Ų61107.6 Ų107.650%0.50452%0.516SS..Hα-helixtrans-68.8-45.7174.900000110.9T419 E420 Y425 G426 V427T419-A423 PolarHBondContact O-N 3.2Å; T419-A423 VanDerWaalsContact O-N 3.08Å; E420-A423 WeakPolarHBondContact O-CA 3.43Å; E420-A423 WeakPolarHBondContact O-CB 3.47Å; E420-A423 PolarHBondContact O-N 2.79Å; A423-Y425 PolarHBondContact O-N 2.94Å; A423-G426 PolarHBondContact O-N 3.32Å; A423-V427 WeakPolarHBondContact O-CG2 3.36Å; A423-V427 PolarHBondContact O-N 2.96Å
424E92.1Very high91.7Very high118 Ų118104.5 Ų104.555%0.55151%0.505SS*.Hα-helixtrans-59.5-44.4174.4-71.2-175.6165.300111.9E420 G426 V427 L428E420-E424 PolarHBondContact O-N 3.14Å; E424-G426 VanDerWaalsContact C-N 3.33Å; E424-G426 PolarHBondContact O-N 2.96Å; E424-V427 PolarHBondContact O-N 2.87Å; E424-V427 VanDerWaalsContact O-N 3.15Å; E424-L428 WeakPolarHBondContact O-CB 3.37Å; E424-L428 PolarHBondContact O-N 2.74Å
425Y91.2Very high91.7Very high158 Ų158104.5 Ų104.562%0.6251%0.51SS*.Hα-helixtrans-57.6-43.2174.3179.5-100.2000112.4L421 A423 V427 L428 Q429L421-Y425 VanDerWaalsContact O-CB 3.29Å; L421-Y425 WeakPolarHBondContact O-CB 3.45Å; L421-Y425 PolarHBondContact O-N 3.34Å; A423-Y425 PolarHBondContact O-N 2.94Å; Y425-V427 PolarHBondContact O-N 3.18Å; Y425-L428 PolarHBondContact O-N 3Å; Y425-Q429 WeakPolarHBondContact O-CB 3.32Å; Y425-Q429 PolarHBondContact O-N 3.44Å
426G92.8Very high91.5Very high38 Ų38102 Ų10239%0.39250%0.503SS..Hα-helixtrans-65.9-34.5175.700000113.8R422 A423 E424 R430R422-G426 PolarHBondContact O-N 2.84Å; R422-G426 VanDerWaalsContact O-N 3.13Å; A423-G426 PolarHBondContact O-N 3.32Å; E424-G426 VanDerWaalsContact C-N 3.33Å; E424-G426 PolarHBondContact O-N 2.96Å; G426-R430 PolarHBondContact O-N 3.29Å
427V92.9Very high91.2Very high96 Ų96102.3 Ų102.358%0.58251%0.505SS*.Hα-helixtrans-68.2-46.3172.3173.90000110.6A423 E424 Y425 R430 T431A423-V427 WeakPolarHBondContact O-CG2 3.36Å; A423-V427 PolarHBondContact O-N 2.96Å; E424-V427 PolarHBondContact O-N 2.87Å; E424-V427 VanDerWaalsContact O-N 3.15Å; Y425-V427 PolarHBondContact O-N 3.18Å; V427-R430 PolarHBondContact O-N 2.9Å; V427-T431 HydrophobicContact CG1-CG2 4.48Å; V427-T431 PolarHBondContact O-N 3.46Å; V427-T431 PolarHBondContact O-OG1 2.88Å
428L91.6Very high91Very high110 Ų110108.4 Ų108.458%0.57653%0.525SS*.Hα-helixtrans-57.7-49.1178-85.2158000111.8E424 Y425 R430 T431 E432E424-L428 WeakPolarHBondContact O-CB 3.37Å; E424-L428 PolarHBondContact O-N 2.74Å; Y425-L428 PolarHBondContact O-N 3Å; L428-R430 VanDerWaalsContact C-N 3.31Å; L428-R430 PolarHBondContact O-N 3.3Å; L428-T431 WeakPolarHBondContact CA-OG1 3.32Å; L428-T431 PolarHBondContact O-N 2.92Å; L428-T431 VanDerWaalsContact O-N 3.12Å; L428-T431 PolarHBondContact O-OG1 2.84Å; L428-E432 WeakPolarHBondContact O-CB 3.39Å; L428-E432 PolarHBondContact O-N 3Å
429Q91.1Very high90.7Very high85 Ų85109.3 Ų109.340%0.39753%0.527SS..Hα-helixtrans-57.2-44.6176-174.6178.9-8.200111.4Y425 T431 E432 E433Y425-Q429 WeakPolarHBondContact O-CB 3.32Å; Y425-Q429 PolarHBondContact O-N 3.44Å; Q429-T431 PolarHBondContact O-N 3.49Å; Q429-E432 WeakPolarHBondContact O-CB 3.48Å; Q429-E432 PolarHBondContact O-N 2.81Å; Q429-E433 WeakPolarHBondContact O-CG 3.4Å; Q429-E433 PolarHBondContact O-N 3.38Å
430R91.9Very high90.3Very high176 Ų176110.4 Ų110.466%0.66453%0.526SS*.Hα-helixtrans-66.3-36.6176.4-171175.7-175.4144.74112.7G426 V427 L428 I434G426-R430 PolarHBondContact O-N 3.29Å; V427-R430 PolarHBondContact O-N 2.9Å; L428-R430 VanDerWaalsContact C-N 3.31Å; L428-R430 PolarHBondContact O-N 3.3Å; R430-I434 HydrophobicContact CG-CD1 4.2Å; R430-I434 WeakPolarHBondContact O-CD1 3.49Å; R430-I434 VanDerWaalsContact O-CG1 3.27Å; R430-I434 WeakPolarHBondContact O-CG1 3.28Å; R430-I434 PolarHBondContact O-N 2.86Å; R430-I434 VanDerWaalsContact O-N 3.11Å
431T91.5Very high89.9Confident61 Ų61109.5 Ų109.537%0.37453%0.527SS..Hα-helixtrans-69.3-35.4174.651.60000112.2V427 L428 Q429 I434 L435V427-T431 HydrophobicContact CG1-CG2 4.48Å; V427-T431 PolarHBondContact O-N 3.46Å; V427-T431 PolarHBondContact O-OG1 2.88Å; L428-T431 WeakPolarHBondContact CA-OG1 3.32Å; L428-T431 PolarHBondContact O-N 2.92Å; L428-T431 VanDerWaalsContact O-N 3.12Å; L428-T431 PolarHBondContact O-OG1 2.84Å; Q429-T431 PolarHBondContact O-N 3.49Å; T431-I434 PolarHBondContact O-N 3.48Å; T431-L435 WeakPolarHBondContact O-CB 3.4Å; T431-L435 VanDerWaalsContact O-CG 3.25Å; T431-L435 WeakPolarHBondContact O-CG 3.42Å; T431-L435 PolarHBondContact O-N 2.8Å
432E90.3Very high89.5Confident101 Ų101105.5 Ų105.547%0.47251%0.512SS..Hα-helixtrans-62.1-46.6173.8-169.5-164.9149.500111.1L428 Q429 I434 L435 K436L428-E432 WeakPolarHBondContact O-CB 3.39Å; L428-E432 PolarHBondContact O-N 3Å; Q429-E432 WeakPolarHBondContact O-CB 3.48Å; Q429-E432 PolarHBondContact O-N 2.81Å; E432-I434 PolarHBondContact O-N 2.95Å; E432-L435 PolarHBondContact O-N 3.2Å; E432-K436 HydrophobicContact CG-CD 4.33Å; E432-K436 WeakPolarHBondContact O-CB 3.27Å; E432-K436 WeakPolarHBondContact O-CG 3.48Å; E432-K436 PolarHBondContact O-N 2.92Å; E432-K436 VanDerWaalsContact OE1-CE 3.31Å; E432-K436 WeakPolarHBondContact OE1-CE 3.41Å; E432-K436 IonicContact OE1-NZ 3.87Å; E432-K436 PolarHBondContact OE1-NZ 3.03Å
433E90.8Very high89Confident98 Ų9899.9 Ų99.946%0.45849%0.494SS..Hα-helixtrans-58.6-45.7175.2-72.7169.6-172.500112Q429 L435 K436 Q437Q429-E433 WeakPolarHBondContact O-CG 3.4Å; Q429-E433 PolarHBondContact O-N 3.38Å; E433-L435 PolarHBondContact O-N 2.88Å; E433-K436 PolarHBondContact O-N 3.28Å; E433-Q437 WeakPolarHBondContact O-CG 3.43Å; E433-Q437 PolarHBondContact O-N 2.98Å
434I90.7Very high88.3Confident72 Ų72102.9 Ų102.937%0.36950%0.498SS..Hα-helixtrans-64.2-40.3177.3-68.4164.9000111.4R430 T431 E432 R438R430-I434 HydrophobicContact CG-CD1 4.2Å; R430-I434 WeakPolarHBondContact O-CD1 3.49Å; R430-I434 VanDerWaalsContact O-CG1 3.27Å; R430-I434 WeakPolarHBondContact O-CG1 3.28Å; R430-I434 PolarHBondContact O-N 2.86Å; R430-I434 VanDerWaalsContact O-N 3.11Å; T431-I434 PolarHBondContact O-N 3.48Å; E432-I434 PolarHBondContact O-N 2.95Å; I434-R438 WeakPolarHBondContact O-CB 3.39Å; I434-R438 WeakPolarHBondContact O-CG 3.43Å; I434-R438 PolarHBondContact O-N 3.26Å
435L89.6Confident87.6Confident111 Ų111103 Ų10358%0.58150%0.498SS*.Hα-helixtrans-69.1-41178.8-74.1171.5000111.7T431 E432 E433 R438 H439T431-L435 WeakPolarHBondContact O-CB 3.4Å; T431-L435 VanDerWaalsContact O-CG 3.25Å; T431-L435 WeakPolarHBondContact O-CG 3.42Å; T431-L435 PolarHBondContact O-N 2.8Å; E432-L435 PolarHBondContact O-N 3.2Å; E433-L435 PolarHBondContact O-N 2.88Å; L435-R438 PolarHBondContact O-N 3.22Å; L435-H439 WeakPolarHBondContact O-CB 3.38Å; L435-H439 PolarHBondContact O-N 2.76Å
436K88.3Confident86.7Confident116 Ų11699.8 Ų99.850%0.50449%0.492SS..Hα-helixtrans-59.5-49.2173.3-78.9174.3168.3171.70111.7E432 E433 R438 H439 E440E432-K436 HydrophobicContact CG-CD 4.33Å; E432-K436 WeakPolarHBondContact O-CB 3.27Å; E432-K436 WeakPolarHBondContact O-CG 3.48Å; E432-K436 PolarHBondContact O-N 2.92Å; E432-K436 VanDerWaalsContact OE1-CE 3.31Å; E432-K436 WeakPolarHBondContact OE1-CE 3.41Å; E432-K436 IonicContact OE1-NZ 3.87Å; E432-K436 PolarHBondContact OE1-NZ 3.03Å; E433-K436 PolarHBondContact O-N 3.28Å; K436-R438 VanDerWaalsContact C-N 3.32Å; K436-R438 PolarHBondContact O-N 3.38Å; K436-H439 PolarHBondContact O-N 2.92Å; K436-H439 VanDerWaalsContact O-N 3.16Å; K436-E440 WeakPolarHBondContact O-CG 3.49Å; K436-E440 PolarHBondContact O-N 3.26Å
437Q88.3Confident85.9Confident122 Ų122102.4 Ų102.457%0.5749%0.494SS*.Hα-helixtrans-58.3-42.1175.7-72.6173.12.800112.4E433 V441E433-Q437 WeakPolarHBondContact O-CG 3.43Å; E433-Q437 PolarHBondContact O-N 2.98Å; Q437-V441 VanDerWaalsContact O-CG2 3.31Å; Q437-V441 WeakPolarHBondContact O-CG2 3.09Å; Q437-V441 PolarHBondContact O-N 3.21Å; Q437-V441 VanDerWaalsContact O-N 3.1Å
438R87.4Confident85Confident183 Ų183100.4 Ų100.469%0.69148%0.484SS*.Hα-helixtrans-68-37.4176.3-75.5-179.5177.7-156.2-0.3112.9I434 L435 K436 G442I434-R438 WeakPolarHBondContact O-CB 3.39Å; I434-R438 WeakPolarHBondContact O-CG 3.43Å; I434-R438 PolarHBondContact O-N 3.26Å; L435-R438 PolarHBondContact O-N 3.22Å; K436-R438 VanDerWaalsContact C-N 3.32Å; K436-R438 PolarHBondContact O-N 3.38Å; R438-G442 PolarHBondContact O-N 3.18Å
439H84.7Confident84Confident110 Ų11099.7 Ų99.751%0.50948%0.479SS..Hα-helixtrans-66.5-46.1177-178.770.8000111L435 K436 V441 G442 Q443L435-H439 WeakPolarHBondContact O-CB 3.38Å; L435-H439 PolarHBondContact O-N 2.76Å; K436-H439 PolarHBondContact O-N 2.92Å; K436-H439 VanDerWaalsContact O-N 3.16Å; H439-V441 PolarHBondContact O-N 3.1Å; H439-G442 PolarHBondContact O-N 3.44Å; H439-Q443 WeakPolarHBondContact O-CB 3.31Å; H439-Q443 PolarHBondContact O-N 3.49Å
440E84.8Confident83Confident111 Ų11196.8 Ų96.852%0.51947%0.465SS..Hα-helixtrans-58-45.1174.3-73174.9-177.700112K436 Q443 Q444K436-E440 WeakPolarHBondContact O-CG 3.49Å; K436-E440 PolarHBondContact O-N 3.26Å; E440-Q443 PolarHBondContact O-N 2.97Å; E440-Q444 WeakPolarHBondContact O-CB 3.4Å; E440-Q444 VanDerWaalsContact O-CG 3.24Å; E440-Q444 WeakPolarHBondContact O-CG 3.39Å; E440-Q444 PolarHBondContact O-N 3.23Å
441V84.9Confident81.9Confident74 Ų7491.9 Ų91.945%0.44846%0.462SS..Hα-helixtrans-63.2-42.6175.5170.40000111.7Q437 H439 Q445Q437-V441 VanDerWaalsContact O-CG2 3.31Å; Q437-V441 WeakPolarHBondContact O-CG2 3.09Å; Q437-V441 PolarHBondContact O-N 3.21Å; Q437-V441 VanDerWaalsContact O-N 3.1Å; H439-V441 PolarHBondContact O-N 3.1Å; V441-Q445 WeakPolarHBondContact O-CB 3.46Å; V441-Q445 VanDerWaalsContact O-CG 3.29Å; V441-Q445 WeakPolarHBondContact O-CG 3.5Å; V441-Q445 PolarHBondContact O-N 2.68Å
442G82.1Confident80.9Confident26 Ų2696.4 Ų96.427%0.26848%0.479SS..Hα-helixtrans-64-42.4176.400000112.6R438 H439 Q445 L446R438-G442 PolarHBondContact O-N 3.18Å; H439-G442 PolarHBondContact O-N 3.44Å; G442-Q445 PolarHBondContact O-N 3.31Å; G442-L446 WeakPolarHBondContact O-CG 3.47Å; G442-L446 PolarHBondContact O-N 2.87Å
443Q79.4Confident79.6Confident71 Ų7199.2 Ų99.233%0.33249%0.49SS..Hα-helixtrans-67-41.7178.5-164.5176.128.800111.3H439 E440 Q445 L446 Q447H439-Q443 WeakPolarHBondContact O-CB 3.31Å; H439-Q443 PolarHBondContact O-N 3.49Å; E440-Q443 PolarHBondContact O-N 2.97Å; Q443-Q445 VanDerWaalsContact C-N 3.35Å; Q443-Q445 PolarHBondContact O-N 3.11Å; Q443-L446 PolarHBondContact O-N 3.25Å; Q443-Q447 WeakPolarHBondContact O-CB 3.48Å; Q443-Q447 VanDerWaalsContact O-CG 3.3Å; Q443-Q447 WeakPolarHBondContact O-CG 3.44Å; Q443-Q447 PolarHBondContact O-N 2.87Å
444Q77.8Confident78.1Confident123 Ų12397.8 Ų97.858%0.57550%0.502SS*.Hα-helixtrans-62.4-39.7172.4-72.8171.817.900112.2E440 S448E440-Q444 WeakPolarHBondContact O-CB 3.4Å; E440-Q444 VanDerWaalsContact O-CG 3.24Å; E440-Q444 WeakPolarHBondContact O-CG 3.39Å; E440-Q444 PolarHBondContact O-N 3.23Å; Q444-S448 WeakPolarHBondContact O-CB 3.45Å; Q444-S448 PolarHBondContact O-N 3.47Å; Q444-S448 PolarHBondContact O-OG 3.49Å
445Q77.6Confident76.7Confident120 Ų12099.2 Ų99.256%0.56151%0.509SS*.Hα-helixtrans-63.9-46.7174.5-75.8175.47.800111.6V441 G442 Q443 S448 M449V441-Q445 WeakPolarHBondContact O-CB 3.46Å; V441-Q445 VanDerWaalsContact O-CG 3.29Å; V441-Q445 WeakPolarHBondContact O-CG 3.5Å; V441-Q445 PolarHBondContact O-N 2.68Å; G442-Q445 PolarHBondContact O-N 3.31Å; Q443-Q445 VanDerWaalsContact C-N 3.35Å; Q443-Q445 PolarHBondContact O-N 3.11Å; Q445-S448 PolarHBondContact O-N 2.96Å; Q445-S448 PolarHBondContact O-OG 3.43Å; Q445-M449 WeakPolarHBondContact O-CG 3.3Å; Q445-M449 PolarHBondContact O-N 3.1Å
446L72.5Confident75.2Confident92 Ų9299 Ų9948%0.48252%0.517SS..Hα-helixtrans-59.8-50.7176.3-73169.7000111.5G442 Q443 S448 M449 E450G442-L446 WeakPolarHBondContact O-CG 3.47Å; G442-L446 PolarHBondContact O-N 2.87Å; Q443-L446 PolarHBondContact O-N 3.25Å; L446-S448 VanDerWaalsContact C-N 3.27Å; L446-S448 PolarHBondContact O-N 2.93Å; L446-M449 PolarHBondContact O-N 3.31Å; L446-M449 VanDerWaalsContact O-N 3.09Å; L446-E450 WeakPolarHBondContact O-CB 3.31Å; L446-E450 WeakPolarHBondContact O-CG 2.86Å; L446-E450 PolarHBondContact O-N 3.31Å
447Q74.8Confident74.2Confident93 Ų9394.7 Ų94.744%0.43551%0.505SS..Hα-helixtrans-58.5-36.4176.4-72.9174-2.400112.6Q443 A451Q443-Q447 WeakPolarHBondContact O-CB 3.48Å; Q443-Q447 VanDerWaalsContact O-CG 3.3Å; Q443-Q447 WeakPolarHBondContact O-CG 3.44Å; Q443-Q447 PolarHBondContact O-N 2.87Å; Q447-A451 VanDerWaalsContact O-CB 3.32Å; Q447-A451 WeakPolarHBondContact O-CB 3.25Å; Q447-A451 PolarHBondContact O-N 3.22Å
448S74.6Confident73Confident54 Ų5495.8 Ų95.838%0.37851%0.505SS..Hα-helixtrans-69.2-38.7175.378.80000112.9Q444 Q445 L446 Q452Q444-S448 WeakPolarHBondContact O-CB 3.45Å; Q444-S448 PolarHBondContact O-N 3.47Å; Q444-S448 PolarHBondContact O-OG 3.49Å; Q445-S448 PolarHBondContact O-N 2.96Å; Q445-S448 PolarHBondContact O-OG 3.43Å; L446-S448 VanDerWaalsContact C-N 3.27Å; L446-S448 PolarHBondContact O-N 2.93Å; S448-Q452 WeakPolarHBondContact O-CB 3.22Å; S448-Q452 VanDerWaalsContact O-CG 3.29Å; S448-Q452 WeakPolarHBondContact O-CG 3.36Å; S448-Q452 PolarHBondContact O-N 3.47Å
449M70.1Confident71.9Confident94 Ų9488.4 Ų88.446%0.46348%0.482SS..Hα-helixtrans-70.6-36.5177-75-66.3-62.300111.9Q445 L446 K453Q445-M449 WeakPolarHBondContact O-CG 3.3Å; Q445-M449 PolarHBondContact O-N 3.1Å; L446-M449 PolarHBondContact O-N 3.31Å; L446-M449 VanDerWaalsContact O-N 3.09Å; M449-K453 WeakPolarHBondContact O-CG 3.38Å; M449-K453 PolarHBondContact O-N 2.87Å; M449-K453 VanDerWaalsContact O-N 3.13Å
450E70.6Confident70.8Confident25 Ų2586.4 Ų86.412%0.11748%0.475CS..Hα-helixtrans-61.4-52.3170.9-85.2-160.9164.100111.9L446 Q452 K453 G454 I455 G457 Y458 S459L446-E450 WeakPolarHBondContact O-CB 3.31Å; L446-E450 WeakPolarHBondContact O-CG 2.86Å; L446-E450 PolarHBondContact O-N 3.31Å; E450-Q452 VanDerWaalsContact C-N 3.33Å; E450-Q452 PolarHBondContact O-N 2.86Å; E450-K453 CarbonylContact O-C 3.5Å; E450-K453 PolarHBondContact O-N 2.99Å; E450-K453 VanDerWaalsContact O-N 3.08Å; E450-G454 PolarHBondContact O-N 3.23Å; E450-I455 CarbonylContact C-O 3.6Å; E450-I455 VanDerWaalsContact CA-O 3.32Å; E450-I455 WeakPolarHBondContact CA-O 3.19Å; E450-I455 WeakPolarHBondContact CB-O 3.41Å; E450-I455 WeakPolarHBondContact CG-O 3.31Å; E450-I455 PolarHBondContact O-N 2.89Å; E450-I455 VanDerWaalsContact O-N 3.09Å; E450-G457 PolarHBondContact OE2-N 3.35Å; E450-Y458 WeakPolarHBondContact OE1-CA 3.32Å; E450-Y458 WeakPolarHBondContact OE1-CB 3.41Å; E450-Y458 PolarHBondContact OE1-N 3.29Å; E450-S459 PolarHBondContact OE1-N 3.09Å
451A68.9Low69.9Low73 Ų7385 Ų8560%0.60347%0.474SS*.Hα-helixtrans-59.5-41.5176.100000112.2Q447 K453 G454Q447-A451 VanDerWaalsContact O-CB 3.32Å; Q447-A451 WeakPolarHBondContact O-CB 3.25Å; Q447-A451 PolarHBondContact O-N 3.22Å; A451-K453 VanDerWaalsContact C-N 3.27Å; A451-K453 PolarHBondContact O-N 2.95Å; A451-G454 PolarHBondContact O-N 2.96Å
452Q70.1Confident69Low155 Ų15585.4 Ų85.472%0.72447%0.471SS*.Hα-helixtrans-65.1-27.1175.7-77.7-18015.200113.7S448 E450S448-Q452 WeakPolarHBondContact O-CB 3.22Å; S448-Q452 VanDerWaalsContact O-CG 3.29Å; S448-Q452 WeakPolarHBondContact O-CG 3.36Å; S448-Q452 PolarHBondContact O-N 3.47Å; E450-Q452 VanDerWaalsContact C-N 3.33Å; E450-Q452 PolarHBondContact O-N 2.86Å
453K63.9Low68.2Low160 Ų16087.9 Ų87.970%0.69648%0.475SS*.Hα-helixtrans-95.21.6176.4-70.1-174.4177.8-176.70113.8M449 E450 A451 I455M449-K453 WeakPolarHBondContact O-CG 3.38Å; M449-K453 PolarHBondContact O-N 2.87Å; M449-K453 VanDerWaalsContact O-N 3.13Å; E450-K453 CarbonylContact O-C 3.5Å; E450-K453 PolarHBondContact O-N 2.99Å; E450-K453 VanDerWaalsContact O-N 3.08Å; A451-K453 VanDerWaalsContact C-N 3.27Å; A451-K453 PolarHBondContact O-N 2.95Å; K453-I455 VanDerWaalsContact C-N 3.35Å
454G60Low67.6Low69 Ų6990.1 Ų90.171%0.71149%0.486SS*.THydrogen-bonded Turntrans73.420.7177.100000114.8E450 A451E450-G454 PolarHBondContact O-N 3.23Å; A451-G454 PolarHBondContact O-N 2.96Å
455I60.4Low66.9Low101 Ų10190.3 Ų90.352%0.51849%0.49SS..  trans-134107.6-178.3-53.9171.4000108.1E450 K453E450-I455 CarbonylContact C-O 3.6Å; E450-I455 VanDerWaalsContact CA-O 3.32Å; E450-I455 WeakPolarHBondContact CA-O 3.19Å; E450-I455 WeakPolarHBondContact CB-O 3.41Å; E450-I455 WeakPolarHBondContact CG-O 3.31Å; E450-I455 PolarHBondContact O-N 2.89Å; E450-I455 VanDerWaalsContact O-N 3.09Å; K453-I455 VanDerWaalsContact C-N 3.35Å
456S58.9Low66.4Low108 Ų10890 Ų9076%0.75549%0.489SS*.  trans-102.1135.6176.560.40000112.2
457G65.8Low66.2Low25 Ų2591 Ų9126%0.25849%0.486SS..SBendtrans90.314.6175.500000114.8E450 T461E450-G457 PolarHBondContact OE2-N 3.35Å; G457-T461 WeakPolarHBondContact O-CG2 3.47Å; G457-T461 PolarHBondContact O-N 2.86Å; G457-T461 PolarHBondContact O-OG1 3.49Å
458Y64.1Low65.9Low144 Ų14490.8 Ų90.857%0.56549%0.491SS*.Hα-helixtrans-74.6-40.9178.2-176.9-92.2000111.2E450 T461 Q462E450-Y458 WeakPolarHBondContact OE1-CA 3.32Å; E450-Y458 WeakPolarHBondContact OE1-CB 3.41Å; E450-Y458 PolarHBondContact OE1-N 3.29Å; Y458-T461 PolarHBondContact O-OG1 2.8Å; Y458-T461 VanDerWaalsContact O-OG1 3.1Å; Y458-Q462 WeakPolarHBondContact O-CB 3.24Å; Y458-Q462 PolarHBondContact O-N 2.91Å; Y458-Q462 PolarHBondContact OH-OE1 2.89Å
459S63.9Low65.3Low28 Ų2892.1 Ų92.120%0.19650%0.5CS..Hα-helixtrans-67.4-41.5176.273.10000111.9E450 T461 Q462 E463E450-S459 PolarHBondContact OE1-N 3.09Å; S459-T461 VanDerWaalsContact C-N 3.33Å; S459-T461 PolarHBondContact O-N 3.31Å; S459-Q462 PolarHBondContact O-N 3.47Å; S459-E463 VanDerWaalsContact O-CB 3.24Å; S459-E463 WeakPolarHBondContact O-CB 3.38Å; S459-E463 PolarHBondContact O-N 3.43Å
460D62.5Low65.2Low68 Ų6890 Ų9036%0.36450%0.498SS..Hα-helixtrans-61.2-43.9179.1-67.6-27.8000110.8E464D460-E464 VanDerWaalsContact O-CB 3.3Å; D460-E464 WeakPolarHBondContact O-CB 3.37Å; D460-E464 PolarHBondContact O-N 2.94Å
461T64.5Low65.1Low83 Ų8393.6 Ų93.651%0.50952%0.517SS..Hα-helixtrans-71.8-34.2178.251.10000113.8G457 Y458 S459 L465G457-T461 WeakPolarHBondContact O-CG2 3.47Å; G457-T461 PolarHBondContact O-N 2.86Å; G457-T461 PolarHBondContact O-OG1 3.49Å; Y458-T461 PolarHBondContact O-OG1 2.8Å; Y458-T461 VanDerWaalsContact O-OG1 3.1Å; S459-T461 VanDerWaalsContact C-N 3.33Å; S459-T461 PolarHBondContact O-N 3.31Å; T461-L465 PolarHBondContact O-N 3.33Å; T461-L465 VanDerWaalsContact O-N 3.16Å
462Q65.7Low65Low81 Ų8196.4 Ų96.438%0.37952%0.515SS..Hα-helixtrans-73.7-40.7173.9-177.6165.6-19.500112.1Y458 S459 E464 L465 E466Y458-Q462 WeakPolarHBondContact O-CB 3.24Å; Y458-Q462 PolarHBondContact O-N 2.91Å; Y458-Q462 PolarHBondContact OH-OE1 2.89Å; S459-Q462 PolarHBondContact O-N 3.47Å; Q462-E464 VanDerWaalsContact C-N 3.29Å; Q462-E464 PolarHBondContact O-N 3.31Å; Q462-L465 PolarHBondContact O-N 3.22Å; Q462-E466 HydrophobicContact CG-CG 4.43Å; Q462-E466 PolarHBondContact NE2-OE1 2.93Å; Q462-E466 WeakPolarHBondContact O-CG 3.34Å; Q462-E466 PolarHBondContact O-N 3.44Å
463E65.9Low65.1Low78 Ų7892.9 Ų92.936%0.36451%0.508SS..Hα-helixtrans-64.4-36.6176.4-160-16313700110.9S459 E466 R467S459-E463 VanDerWaalsContact O-CB 3.24Å; S459-E463 WeakPolarHBondContact O-CB 3.38Å; S459-E463 PolarHBondContact O-N 3.43Å; E463-E466 PolarHBondContact O-N 3.08Å; E463-R467 VanDerWaalsContact O-CB 3.3Å; E463-R467 WeakPolarHBondContact O-CB 3.33Å; E463-R467 VanDerWaalsContact O-CG 3.27Å; E463-R467 WeakPolarHBondContact O-CG 3.46Å; E463-R467 PolarHBondContact O-N 3.35Å; E463-R467 IonicContact OE1-CZ 3.76Å; E463-R467 VanDerWaalsContact OE1-CZ 3.22Å; E463-R467 IonicContact OE1-NE 3.74Å; E463-R467 PolarHBondContact OE1-NE 2.99Å; E463-R467 IonicContact OE1-NH2 2.88Å; E463-R467 PolarHBondContact OE1-NH2 2.96Å; E463-R467 IonicContact OE2-NH2 2.74Å
464E66.9Low65.2Low119 Ų11991 Ų9156%0.55650%0.502SS*.Hα-helixtrans-69.2-36.7175-164.7148.1-122.800112.5D460 Q462 V468D460-E464 VanDerWaalsContact O-CB 3.3Å; D460-E464 WeakPolarHBondContact O-CB 3.37Å; D460-E464 PolarHBondContact O-N 2.94Å; Q462-E464 VanDerWaalsContact C-N 3.29Å; Q462-E464 PolarHBondContact O-N 3.31Å; E464-V468 WeakPolarHBondContact O-CB 3.48Å; E464-V468 VanDerWaalsContact O-CG2 3.22Å; E464-V468 WeakPolarHBondContact O-CG2 3.26Å; E464-V468 PolarHBondContact O-N 2.95Å
465L62.9Low65.6Low126 Ų12691.4 Ų91.466%0.6649%0.487SS*.Hα-helixtrans-66.5-42.1171.2-89.6161.1000112.9T461 Q462 V468 S469T461-L465 PolarHBondContact O-N 3.33Å; T461-L465 VanDerWaalsContact O-N 3.16Å; Q462-L465 PolarHBondContact O-N 3.22Å; L465-V468 PolarHBondContact O-N 3.46Å; L465-S469 WeakPolarHBondContact O-CB 3.44Å; L465-S469 PolarHBondContact O-N 2.86Å
466E66.8Low66Low113 Ų11390.8 Ų90.853%0.52849%0.485SS..Hα-helixtrans-68.5-41.7176.6-74.6179.5-16200111.5Q462 E463 S469 A470Q462-E466 HydrophobicContact CG-CG 4.43Å; Q462-E466 PolarHBondContact NE2-OE1 2.93Å; Q462-E466 WeakPolarHBondContact O-CG 3.34Å; Q462-E466 PolarHBondContact O-N 3.44Å; E463-E466 PolarHBondContact O-N 3.08Å; E466-S469 PolarHBondContact O-N 3.44Å; E466-A470 WeakPolarHBondContact O-CB 3.46Å; E466-A470 PolarHBondContact O-N 3.47Å
467R69.4Low66.6Low113 Ų11390.9 Ų90.943%0.42647%0.473SS..Hα-helixtrans-57.6-49.5170.1-77.6-170.5-126.6128.7-5.7111.2E463 S469 A470 I471E463-R467 VanDerWaalsContact O-CB 3.3Å; E463-R467 WeakPolarHBondContact O-CB 3.33Å; E463-R467 VanDerWaalsContact O-CG 3.27Å; E463-R467 WeakPolarHBondContact O-CG 3.46Å; E463-R467 PolarHBondContact O-N 3.35Å; E463-R467 IonicContact OE1-CZ 3.76Å; E463-R467 VanDerWaalsContact OE1-CZ 3.22Å; E463-R467 IonicContact OE1-NE 3.74Å; E463-R467 PolarHBondContact OE1-NE 2.99Å; E463-R467 IonicContact OE1-NH2 2.88Å; E463-R467 PolarHBondContact OE1-NH2 2.96Å; E463-R467 IonicContact OE2-NH2 2.74Å; R467-S469 VanDerWaalsContact C-N 3.31Å; R467-S469 PolarHBondContact O-N 3.29Å; R467-A470 PolarHBondContact O-N 3.31Å; R467-I471 HydrophobicContact CB-CD1 4.29Å; R467-I471 WeakPolarHBondContact O-CB 3.48Å; R467-I471 WeakPolarHBondContact O-CD1 3.42Å; R467-I471 WeakPolarHBondContact O-CG1 3.17Å; R467-I471 PolarHBondContact O-N 2.95Å
468V67.4Low66.5Low90 Ų9095.4 Ų95.455%0.54549%0.489SS..Hα-helixtrans-63.5-36.7-179.9168.20000111.8E464 L465 K472E464-V468 WeakPolarHBondContact O-CB 3.48Å; E464-V468 VanDerWaalsContact O-CG2 3.22Å; E464-V468 WeakPolarHBondContact O-CG2 3.26Å; E464-V468 PolarHBondContact O-N 2.95Å; L465-V468 PolarHBondContact O-N 3.46Å; V468-K472 WeakPolarHBondContact O-CB 3.3Å; V468-K472 PolarHBondContact O-N 3.21Å
469S63.8Low66.7Low81 Ų8193.4 Ų93.457%0.56648%0.483SS*.Hα-helixtrans-68.7-48.8176.5-167.30000112.5L465 E466 R467 K472 S473L465-S469 WeakPolarHBondContact O-CB 3.44Å; L465-S469 PolarHBondContact O-N 2.86Å; E466-S469 PolarHBondContact O-N 3.44Å; R467-S469 VanDerWaalsContact C-N 3.31Å; R467-S469 PolarHBondContact O-N 3.29Å; S469-K472 PolarHBondContact O-N 2.82Å; S469-S473 PolarHBondContact O-N 2.91Å
470A67.7Low67Low50 Ų5093.8 Ų93.841%0.41349%0.492SS..Hα-helixtrans-63.2-49.2177.900000111.6E466 R467 K472 S473 E474E466-A470 WeakPolarHBondContact O-CB 3.46Å; E466-A470 PolarHBondContact O-N 3.47Å; R467-A470 PolarHBondContact O-N 3.31Å; A470-K472 VanDerWaalsContact C-N 3.27Å; A470-K472 PolarHBondContact O-N 2.99Å; A470-S473 PolarHBondContact O-N 3Å; A470-E474 PolarHBondContact O-N 3.3Å
471I67.6Low67.3Low100 Ų10098.2 Ų98.251%0.51350%0.503SS..Hα-helixtrans-57.5-41.9175.9-68.9165.8000110.1R467 L475R467-I471 HydrophobicContact CB-CD1 4.29Å; R467-I471 WeakPolarHBondContact O-CB 3.48Å; R467-I471 WeakPolarHBondContact O-CD1 3.42Å; R467-I471 WeakPolarHBondContact O-CG1 3.17Å; R467-I471 PolarHBondContact O-N 2.95Å; I471-L475 WeakPolarHBondContact O-CA 3.47Å; I471-L475 WeakPolarHBondContact O-CB 3.42Å; I471-L475 PolarHBondContact O-N 3.42Å
472K67.5Low67.4Low133 Ų13396.9 Ų96.958%0.57850%0.497SS*.Hα-helixtrans-65.8-43.8178.5-171.7-178.3177.3-170.30112.4V468 S469 A470 L475 D476V468-K472 WeakPolarHBondContact O-CB 3.3Å; V468-K472 PolarHBondContact O-N 3.21Å; S469-K472 PolarHBondContact O-N 2.82Å; A470-K472 VanDerWaalsContact C-N 3.27Å; A470-K472 PolarHBondContact O-N 2.99Å; K472-L475 PolarHBondContact O-N 2.93Å; K472-D476 WeakPolarHBondContact O-CB 3.43Å; K472-D476 PolarHBondContact O-N 3.23Å
473S71.6Confident67.7Low80 Ų8097.7 Ų97.756%0.55950%0.504SS*.Hα-helixtrans-63.8-47.4179-167.40000111.9S469 A470 E477S469-S473 PolarHBondContact O-N 2.91Å; A470-S473 PolarHBondContact O-N 3Å; S473-E477 WeakPolarHBondContact O-CB 3.4Å; S473-E477 PolarHBondContact O-N 3.41Å; S473-E477 VanDerWaalsContact O-N 3.09Å
474E66.9Low67.9Low122 Ų12299.8 Ų99.857%0.5752%0.518SS*.Hα-helixtrans-66-37.9175.8-70.3-174.4163.800112A470 M478A470-E474 PolarHBondContact O-N 3.3Å; E474-M478 HydrophobicContact CB-CE 4.21Å; E474-M478 WeakPolarHBondContact O-CB 3.37Å; E474-M478 VanDerWaalsContact O-CG 3.32Å; E474-M478 WeakPolarHBondContact O-CG 3.39Å; E474-M478 PolarHBondContact O-N 2.9Å
475L67.8Low68.2Low76 Ų7699 Ų9940%0.39852%0.517SS..Hα-helixtrans-69.2-38.8179.5-171.975.4000112.1I471 K472 K479I471-L475 WeakPolarHBondContact O-CA 3.47Å; I471-L475 WeakPolarHBondContact O-CB 3.42Å; I471-L475 PolarHBondContact O-N 3.42Å; K472-L475 PolarHBondContact O-N 2.93Å; L475-K479 VanDerWaalsContact CD2-NZ 3.32Å; L475-K479 HydrophobicContact CG-CD 4.09Å; L475-K479 WeakPolarHBondContact O-CB 3.36Å; L475-K479 WeakPolarHBondContact O-CD 3.34Å; L475-K479 WeakPolarHBondContact O-CG 3.46Å; L475-K479 PolarHBondContact O-N 3.46Å
476D69.6Low68.6Low89 Ų8997.4 Ų97.448%0.47651%0.507SS..Hα-helixtrans-73.9-37.9177.8-74.2-19.6000111.3K472 K479 G480K472-D476 WeakPolarHBondContact O-CB 3.43Å; K472-D476 PolarHBondContact O-N 3.23Å; D476-K479 PolarHBondContact O-N 3.4Å; D476-G480 PolarHBondContact O-N 3.06Å
477E70.5Confident69.1Low109 Ų10994.6 Ų94.651%0.50950%0.5SS..Hα-helixtrans-71.8-41.4175.4-168.2170.6-151.400112.6S473 G480 R481S473-E477 WeakPolarHBondContact O-CB 3.4Å; S473-E477 PolarHBondContact O-N 3.41Å; S473-E477 VanDerWaalsContact O-N 3.09Å; E477-G480 PolarHBondContact O-N 3.36Å; E477-R481 WeakPolarHBondContact O-CG 3.48Å; E477-R481 PolarHBondContact O-N 3Å; E477-R481 IonicContact OE1-CZ 3.3Å; E477-R481 IonicContact OE1-NE 2.72Å; E477-R481 IonicContact OE1-NH2 3.5Å; E477-R481 PolarHBondContact OE1-NH2 3.01Å
478M63.8Low69.5Low120 Ų12094 Ų9459%0.59150%0.502SS*.Hα-helixtrans-66.4-37.4171.4-75.9-162-82.500111.8E474 S482E474-M478 HydrophobicContact CB-CE 4.21Å; E474-M478 WeakPolarHBondContact O-CB 3.37Å; E474-M478 VanDerWaalsContact O-CG 3.32Å; E474-M478 WeakPolarHBondContact O-CG 3.39Å; E474-M478 PolarHBondContact O-N 2.9Å; M478-S482 WeakPolarHBondContact O-CA 3.23Å; M478-S482 WeakPolarHBondContact O-CB 3.42Å; M478-S482 PolarHBondContact O-N 2.7Å
479K67.4Low69.9Low103 Ų10395.1 Ų95.145%0.44850%0.503SS..Hα-helixtrans-64.6-42.4173.8-82.2169.4-178.5167.90111.7L475 D476 L483L475-K479 VanDerWaalsContact CD2-NZ 3.32Å; L475-K479 HydrophobicContact CG-CD 4.09Å; L475-K479 WeakPolarHBondContact O-CB 3.36Å; L475-K479 WeakPolarHBondContact O-CD 3.34Å; L475-K479 WeakPolarHBondContact O-CG 3.46Å; L475-K479 PolarHBondContact O-N 3.46Å; D476-K479 PolarHBondContact O-N 3.4Å; K479-L483 HydrophobicContact CB-CD1 4.47Å; K479-L483 WeakPolarHBondContact O-CB 3.46Å; K479-L483 WeakPolarHBondContact O-CD1 3.36Å; K479-L483 WeakPolarHBondContact O-CG 3.34Å; K479-L483 PolarHBondContact O-N 2.9Å
480G70.1Confident70.7Confident36 Ų3694.9 Ų94.937%0.37150%0.498SS..Hα-helixtrans-59-59.2176.900000111.7D476 E477 S482 L483 D484D476-G480 PolarHBondContact O-N 3.06Å; E477-G480 PolarHBondContact O-N 3.36Å; G480-S482 PolarHBondContact O-N 3.05Å; G480-L483 PolarHBondContact O-N 3.38Å; G480-D484 PolarHBondContact O-N 3.4Å; G480-D484 VanDerWaalsContact O-N 3.1Å
481R69.8Low71.3Confident160 Ų16099.8 Ų99.860%0.60451%0.51SS*.Hα-helixtrans-62-44.4-179.3-62.2179.5-170.1-162.16112E477 D484 D485E477-R481 WeakPolarHBondContact O-CG 3.48Å; E477-R481 PolarHBondContact O-N 3Å; E477-R481 IonicContact OE1-CZ 3.3Å; E477-R481 IonicContact OE1-NE 2.72Å; E477-R481 IonicContact OE1-NH2 3.5Å; E477-R481 PolarHBondContact OE1-NH2 3.01Å; R481-D484 PolarHBondContact O-N 2.7Å; R481-D485 VanDerWaalsContact O-CB 3.27Å; R481-D485 WeakPolarHBondContact O-CB 3.2Å; R481-D485 PolarHBondContact O-N 2.93Å
482S66Low71.9Confident55 Ų55100.6 Ų100.639%0.38551%0.51SS..Hα-helixtrans-70.5-32.7179.9-163.60000112.5M478 G480 M486M478-S482 WeakPolarHBondContact O-CA 3.23Å; M478-S482 WeakPolarHBondContact O-CB 3.42Å; M478-S482 PolarHBondContact O-N 2.7Å; G480-S482 PolarHBondContact O-N 3.05Å; S482-M486 WeakPolarHBondContact O-CA 3.4Å; S482-M486 WeakPolarHBondContact O-CB 3.38Å; S482-M486 VanDerWaalsContact O-CE 3.24Å; S482-M486 WeakPolarHBondContact O-CE 3.31Å; S482-M486 WeakPolarHBondContact O-CG 3.39Å; S482-M486 PolarHBondContact O-N 2.85Å
483L71.9Confident72.4Confident99 Ų9998.4 Ų98.452%0.51850%0.504SS..Hα-helixtrans-70.4-37.7174.4-77.3167.3000112.4K479 G480 M486 S487K479-L483 HydrophobicContact CB-CD1 4.47Å; K479-L483 WeakPolarHBondContact O-CB 3.46Å; K479-L483 WeakPolarHBondContact O-CD1 3.36Å; K479-L483 WeakPolarHBondContact O-CG 3.34Å; K479-L483 PolarHBondContact O-N 2.9Å; G480-L483 PolarHBondContact O-N 3.38Å; L483-M486 HydrophobicContact CD2-CE 4.17Å; L483-S487 WeakPolarHBondContact O-CB 3.34Å; L483-S487 PolarHBondContact O-N 2.85Å; L483-S487 PolarHBondContact O-OG 2.93Å
484D71.5Confident72.9Confident122 Ų12298.9 Ų98.965%0.65250%0.5SS*.Hα-helixtrans-71.4-47.2174.5-80.3-29.3000111.4G480 R481 M486 S487 E488G480-D484 PolarHBondContact O-N 3.4Å; G480-D484 VanDerWaalsContact O-N 3.1Å; R481-D484 PolarHBondContact O-N 2.7Å; D484-M486 PolarHBondContact O-N 3.4Å; D484-S487 PolarHBondContact O-N 3.06Å; D484-S487 VanDerWaalsContact O-N 3.15Å; D484-E488 WeakPolarHBondContact O-CB 3.48Å; D484-E488 PolarHBondContact O-N 3.47Å
485D72.4Confident73.7Confident101 Ų10195.7 Ų95.754%0.5449%0.491SS..Hα-helixtrans-61.5-43.4175.4-76.5-26.4000111.6R481 M489R481-D485 VanDerWaalsContact O-CB 3.27Å; R481-D485 WeakPolarHBondContact O-CB 3.2Å; R481-D485 PolarHBondContact O-N 2.93Å; D485-M489 WeakPolarHBondContact O-CB 3.27Å; D485-M489 PolarHBondContact O-N 2.91Å
486M71.3Confident74.5Confident93 Ų9395 Ų9546%0.45849%0.49SS..Hα-helixtrans-66.3-38.2173.4-74-174.2-67.600111.4S482 L483 D484 V490S482-M486 WeakPolarHBondContact O-CA 3.4Å; S482-M486 WeakPolarHBondContact O-CB 3.38Å; S482-M486 VanDerWaalsContact O-CE 3.24Å; S482-M486 WeakPolarHBondContact O-CE 3.31Å; S482-M486 WeakPolarHBondContact O-CG 3.39Å; S482-M486 PolarHBondContact O-N 2.85Å; L483-M486 HydrophobicContact CD2-CE 4.17Å; D484-M486 PolarHBondContact O-N 3.4Å; M486-V490 WeakPolarHBondContact O-CB 3.43Å; M486-V490 WeakPolarHBondContact O-CG2 3.31Å; M486-V490 PolarHBondContact O-N 3.03Å
487S77Confident75Confident54 Ų5495.2 Ų95.238%0.37849%0.491SS..Hα-helixtrans-68.4-39.1178.3-68.20000112L483 D484 K491L483-S487 WeakPolarHBondContact O-CB 3.34Å; L483-S487 PolarHBondContact O-N 2.85Å; L483-S487 PolarHBondContact O-OG 2.93Å; D484-S487 PolarHBondContact O-N 3.06Å; D484-S487 VanDerWaalsContact O-N 3.15Å; S487-K491 WeakPolarHBondContact O-CB 3.5Å; S487-K491 VanDerWaalsContact O-CG 3.24Å; S487-K491 WeakPolarHBondContact O-CG 3.32Å; S487-K491 PolarHBondContact O-N 2.88Å
488E78.3Confident75.8Confident101 Ų10194.6 Ų94.647%0.47249%0.494SS..Hα-helixtrans-72.9-40.7175.6-152.2-165.1161.400111.3D484 K491 K492D484-E488 WeakPolarHBondContact O-CB 3.48Å; D484-E488 PolarHBondContact O-N 3.47Å; E488-K491 PolarHBondContact O-N 3.06Å; E488-K492 HydrophobicContact CG-CD 4.29Å; E488-K492 WeakPolarHBondContact O-CB 3.04Å; E488-K492 WeakPolarHBondContact O-CG 3.11Å; E488-K492 PolarHBondContact O-N 3.47Å; E488-K492 WeakPolarHBondContact OE1-CE 3.13Å; E488-K492 IonicContact OE1-NZ 2.89Å; E488-K492 PolarHBondContact OE1-NZ 3.01Å; E488-K492 IonicContact OE2-NZ 3.76Å
489M75.2Confident76.8Confident114 Ų11494.7 Ų94.756%0.56249%0.493SS*.Hα-helixtrans-64.5-40.1173.9-169.9-175.7-57.900111.6D485 K492 L493D485-M489 WeakPolarHBondContact O-CB 3.27Å; D485-M489 PolarHBondContact O-N 2.91Å; M489-K492 PolarHBondContact O-N 2.61Å; M489-L493 HydrophobicContact CG-CD1 3.92Å; M489-L493 HydrophobicContact CG-CG 4.32Å; M489-L493 WeakPolarHBondContact O-CB 3.35Å; M489-L493 VanDerWaalsContact O-CG 3.23Å; M489-L493 WeakPolarHBondContact O-CG 3.35Å; M489-L493 PolarHBondContact O-N 2.82Å; M489-L493 HydrophobicContact SD-CD1 4.48Å
490V81.3Confident77.6Confident76 Ų7696.5 Ų96.546%0.46150%0.501SS..Hα-helixtrans-68.8-35.5174.7167.40000111.2M486 N494M486-V490 WeakPolarHBondContact O-CB 3.43Å; M486-V490 WeakPolarHBondContact O-CG2 3.31Å; M486-V490 PolarHBondContact O-N 3.03Å; V490-N494 WeakPolarHBondContact CG1-ND2 3.36Å; V490-N494 VanDerWaalsContact O-CB 3.23Å; V490-N494 WeakPolarHBondContact O-CB 3.28Å; V490-N494 VanDerWaalsContact O-CG 3.31Å; V490-N494 PolarHBondContact O-N 2.88Å; V490-N494 PolarHBondContact O-ND2 2.92Å
491K79.8Confident78.2Confident153 Ų153102.1 Ų102.167%0.66552%0.515SS*.Hα-helixtrans-65.6-47.4171.3-77.1169.8-175.5171.80111.8S487 E488 N494 S495S487-K491 WeakPolarHBondContact O-CB 3.5Å; S487-K491 VanDerWaalsContact O-CG 3.24Å; S487-K491 WeakPolarHBondContact O-CG 3.32Å; S487-K491 PolarHBondContact O-N 2.88Å; E488-K491 PolarHBondContact O-N 3.06Å; K491-N494 PolarHBondContact O-N 3.15Å; K491-S495 PolarHBondContact O-N 3.35Å; K491-S495 PolarHBondContact O-OG 3.38Å
492K79.7Confident78.9Confident116 Ų11698.2 Ų98.250%0.50451%0.512SS..Hα-helixtrans-64.8-38.5176.7-75.4166.1167.7164.70112.4E488 M489 S495 T496E488-K492 HydrophobicContact CG-CD 4.29Å; E488-K492 WeakPolarHBondContact O-CB 3.04Å; E488-K492 WeakPolarHBondContact O-CG 3.11Å; E488-K492 PolarHBondContact O-N 3.47Å; E488-K492 WeakPolarHBondContact OE1-CE 3.13Å; E488-K492 IonicContact OE1-NZ 2.89Å; E488-K492 PolarHBondContact OE1-NZ 3.01Å; E488-K492 IonicContact OE2-NZ 3.76Å; M489-K492 PolarHBondContact O-N 2.61Å; K492-S495 PolarHBondContact O-OG 3.37Å; K492-S495 VanDerWaalsContact O-OG 3.08Å; K492-T496 WeakPolarHBondContact O-CB 3.45Å; K492-T496 WeakPolarHBondContact O-CG2 3.26Å; K492-T496 PolarHBondContact O-N 2.91Å; K492-T496 PolarHBondContact O-OG1 2.83Å
493L78.1Confident79.7Confident88 Ų8898.3 Ų98.346%0.46152%0.516SS..Hα-helixtrans-67.6-45.9173.3-79.5169.5000110.7M489 S495 T496 I497M489-L493 HydrophobicContact CG-CD1 3.92Å; M489-L493 HydrophobicContact CG-CG 4.32Å; M489-L493 WeakPolarHBondContact O-CB 3.35Å; M489-L493 VanDerWaalsContact O-CG 3.23Å; M489-L493 WeakPolarHBondContact O-CG 3.35Å; M489-L493 PolarHBondContact O-N 2.82Å; M489-L493 HydrophobicContact SD-CD1 4.48Å; L493-S495 PolarHBondContact O-N 2.63Å; L493-T496 WeakPolarHBondContact CA-OG1 3.45Å; L493-T496 PolarHBondContact O-N 3Å; L493-T496 PolarHBondContact O-OG1 3.14Å; L493-I497 HydrophobicContact CB-CD1 4.42Å; L493-I497 WeakPolarHBondContact O-CB 3.43Å; L493-I497 WeakPolarHBondContact O-CD1 3.41Å; L493-I497 WeakPolarHBondContact O-CG1 3.44Å; L493-I497 PolarHBondContact O-N 3.01Å
494N83.3Confident80.2Confident90 Ų9097.6 Ų97.648%0.48151%0.513SS..Hα-helixtrans-65.8-39.2177.7-79.3-44.8000112.5V490 K491 I497 V498V490-N494 WeakPolarHBondContact CG1-ND2 3.36Å; V490-N494 VanDerWaalsContact O-CB 3.23Å; V490-N494 WeakPolarHBondContact O-CB 3.28Å; V490-N494 VanDerWaalsContact O-CG 3.31Å; V490-N494 PolarHBondContact O-N 2.88Å; V490-N494 PolarHBondContact O-ND2 2.92Å; K491-N494 PolarHBondContact O-N 3.15Å; N494-I497 PolarHBondContact O-N 2.88Å; N494-V498 WeakPolarHBondContact O-CB 3.08Å; N494-V498 VanDerWaalsContact O-CG2 3.3Å; N494-V498 WeakPolarHBondContact O-CG2 3.49Å; N494-V498 PolarHBondContact O-N 3.18Å
495S83.9Confident80.9Confident54 Ų5494.4 Ų94.438%0.37850%0.503SS..Hα-helixtrans-64.2-48.7174.869.90000111.2K491 K492 L493 I497 V498 E499K491-S495 PolarHBondContact O-N 3.35Å; K491-S495 PolarHBondContact O-OG 3.38Å; K492-S495 PolarHBondContact O-OG 3.37Å; K492-S495 VanDerWaalsContact O-OG 3.08Å; L493-S495 PolarHBondContact O-N 2.63Å; S495-I497 PolarHBondContact O-N 3.2Å; S495-V498 PolarHBondContact O-N 3.07Å; S495-E499 WeakPolarHBondContact O-CG 3.49Å; S495-E499 PolarHBondContact O-N 2.86Å
496T83.2Confident81.5Confident63 Ų6392.8 Ų92.839%0.38750%0.498SS..Hα-helixtrans-66.4-33.4177.152.60000112.9K492 L493 K500K492-T496 WeakPolarHBondContact O-CB 3.45Å; K492-T496 WeakPolarHBondContact O-CG2 3.26Å; K492-T496 PolarHBondContact O-N 2.91Å; K492-T496 PolarHBondContact O-OG1 2.83Å; L493-T496 WeakPolarHBondContact CA-OG1 3.45Å; L493-T496 PolarHBondContact O-N 3Å; L493-T496 PolarHBondContact O-OG1 3.14Å; T496-K500 VanDerWaalsContact O-CB 3.24Å; T496-K500 WeakPolarHBondContact O-CB 3.5Å; T496-K500 WeakPolarHBondContact O-CG 3.28Å; T496-K500 PolarHBondContact O-N 3.36Å
497I80.6Confident82Confident93 Ų9392.5 Ų92.548%0.47750%0.497SS..Hα-helixtrans-65-43.6172.2-74.2163.9000110.3L493 N494 S495 K501L493-I497 HydrophobicContact CB-CD1 4.42Å; L493-I497 WeakPolarHBondContact O-CB 3.43Å; L493-I497 WeakPolarHBondContact O-CD1 3.41Å; L493-I497 WeakPolarHBondContact O-CG1 3.44Å; L493-I497 PolarHBondContact O-N 3.01Å; N494-I497 PolarHBondContact O-N 2.88Å; S495-I497 PolarHBondContact O-N 3.2Å; I497-K501 WeakPolarHBondContact O-CB 3.43Å; I497-K501 PolarHBondContact O-N 3Å
498V86.4Confident82.3Confident96 Ų9694.9 Ų94.958%0.58251%0.505SS*.Hα-helixtrans-65.9-44.5177.3170.50000111.3N494 S495 K501 S502N494-V498 WeakPolarHBondContact O-CB 3.08Å; N494-V498 VanDerWaalsContact O-CG2 3.3Å; N494-V498 WeakPolarHBondContact O-CG2 3.49Å; N494-V498 PolarHBondContact O-N 3.18Å; S495-V498 PolarHBondContact O-N 3.07Å; V498-K501 PolarHBondContact O-N 2.82Å; V498-S502 PolarHBondContact O-N 3.3Å; V498-S502 PolarHBondContact O-OG 2.92Å
499E85.3Confident82.6Confident121 Ų12198.4 Ų98.457%0.56552%0.518SS*.Hα-helixtrans-62.8-44175.1-73.4172.6-172.600112.6S495 K501 S502 A503S495-E499 WeakPolarHBondContact O-CG 3.49Å; S495-E499 PolarHBondContact O-N 2.86Å; E499-K501 VanDerWaalsContact C-N 3.34Å; E499-S502 PolarHBondContact O-N 3.16Å; E499-S502 PolarHBondContact O-OG 3.45Å; E499-A503 VanDerWaalsContact O-CB 3.27Å; E499-A503 WeakPolarHBondContact O-CB 3.49Å; E499-A503 PolarHBondContact O-N 2.92Å
500K84.1Confident83.1Confident142 Ų14299.1 Ų99.162%0.61752%0.521SS*.Hα-helixtrans-67.5-35.9175.5-68.2-66.1178.6-171.90111.2T496 L504T496-K500 VanDerWaalsContact O-CB 3.24Å; T496-K500 WeakPolarHBondContact O-CB 3.5Å; T496-K500 WeakPolarHBondContact O-CG 3.28Å; T496-K500 PolarHBondContact O-N 3.36Å; K500-L504 WeakPolarHBondContact O-CB 3.2Å; K500-L504 WeakPolarHBondContact O-CD1 3.46Å; K500-L504 WeakPolarHBondContact O-CG 3.38Å; K500-L504 PolarHBondContact O-N 3.22Å
501K84.1Confident83.3Confident154 Ų15498.9 Ų98.967%0.6752%0.516SS*.Hα-helixtrans-69-39.7176.7-172176-177.2-179.80111.9I497 V498 E499 A505I497-K501 WeakPolarHBondContact O-CB 3.43Å; I497-K501 PolarHBondContact O-N 3Å; V498-K501 PolarHBondContact O-N 2.82Å; E499-K501 VanDerWaalsContact C-N 3.34Å; K501-A505 VanDerWaalsContact O-CB 3.3Å; K501-A505 WeakPolarHBondContact O-CB 3.39Å; K501-A505 PolarHBondContact O-N 2.89Å
502S83.3Confident83.8Confident78 Ų78101.2 Ų101.255%0.54552%0.521SS..Hα-helixtrans-70.2-3817565.10000112.1V498 E499 P506V498-S502 PolarHBondContact O-N 3.3Å; V498-S502 PolarHBondContact O-OG 2.92Å; E499-S502 PolarHBondContact O-N 3.16Å; E499-S502 PolarHBondContact O-OG 3.45Å; S502-P506 WeakPolarHBondContact O-CD 3.33Å
503A83.3Confident84.3Confident56 Ų5699 Ų9946%0.46352%0.518SS..Hα-helixtrans-70.4-36.2174.400000113.5E499 P506E499-A503 VanDerWaalsContact O-CB 3.27Å; E499-A503 WeakPolarHBondContact O-CB 3.49Å; E499-A503 PolarHBondContact O-N 2.92Å; A503-P506 WeakPolarHBondContact O-CD 3.38Å; A503-P506 WeakPolarHBondContact O-CG 3.4Å
504L83.4Confident84.7Confident85 Ų8599.3 Ų99.345%0.44552%0.52SS..Hα-helixtrans-79.6-27.3178.6-73.5168.5000113.2K500 I507 I508K500-L504 WeakPolarHBondContact O-CB 3.2Å; K500-L504 WeakPolarHBondContact O-CD1 3.46Å; K500-L504 WeakPolarHBondContact O-CG 3.38Å; K500-L504 PolarHBondContact O-N 3.22Å; L504-I507 PolarHBondContact O-N 3.03Å; L504-I508 HydrophobicContact CB-CD1 4.03Å; L504-I508 WeakPolarHBondContact O-CB 3.38Å; L504-I508 VanDerWaalsContact O-CG1 3.26Å; L504-I508 WeakPolarHBondContact O-CG1 3.07Å; L504-I508 PolarHBondContact O-N 3.47Å
505A84.7Confident85.1Confident55 Ų55103.4 Ų103.446%0.45553%0.528SS..Hα-helixtrans-53.6-49.3-18000000114.8K501 K509K501-A505 VanDerWaalsContact O-CB 3.3Å; K501-A505 WeakPolarHBondContact O-CB 3.39Å; K501-A505 PolarHBondContact O-N 2.89Å; A505-K509 WeakPolarHBondContact O-CB 3.34Å; A505-K509 PolarHBondContact O-N 3.02Å; A505-K509 VanDerWaalsContact O-N 3.08Å
506P85.4Confident85.5Confident66 Ų66105.4 Ų105.443%0.42953%0.532SS..Hα-helixtrans-66-43175.925.4-33.4000111.7S502 A503 I508 K509 E510S502-P506 WeakPolarHBondContact O-CD 3.33Å; A503-P506 WeakPolarHBondContact O-CD 3.38Å; A503-P506 WeakPolarHBondContact O-CG 3.4Å; P506-I508 PolarHBondContact O-N 3.39Å; P506-K509 WeakPolarHBondContact O-CA 3.43Å; P506-K509 WeakPolarHBondContact O-CB 3.46Å; P506-K509 PolarHBondContact O-N 2.87Å; P506-E510 PolarHBondContact O-N 3.32Å
507I81.7Confident86Confident87 Ų87108.2 Ų108.245%0.44654%0.541SS..Hα-helixtrans-58.5-48178.2-60.2174.2000110L504 K509 E510 L511L504-I507 PolarHBondContact O-N 3.03Å; I507-K509 VanDerWaalsContact C-N 3.27Å; I507-K509 PolarHBondContact O-N 3.05Å; I507-E510 PolarHBondContact O-N 2.81Å; I507-L511 HydrophobicContact CG2-CD1 4.22Å; I507-L511 VanDerWaalsContact O-CB 3.22Å; I507-L511 WeakPolarHBondContact O-CB 3.33Å; I507-L511 PolarHBondContact O-N 2.94Å
508I83.1Confident86.4Confident105 Ų105107.6 Ų107.654%0.53854%0.543SS..Hα-helixtrans-61.7-35.6177.1-69.3166.5000111.5L504 P506 E510 L511 R512L504-I508 HydrophobicContact CB-CD1 4.03Å; L504-I508 WeakPolarHBondContact O-CB 3.38Å; L504-I508 VanDerWaalsContact O-CG1 3.26Å; L504-I508 WeakPolarHBondContact O-CG1 3.07Å; L504-I508 PolarHBondContact O-N 3.47Å; P506-I508 PolarHBondContact O-N 3.39Å; I508-E510 VanDerWaalsContact C-N 3.35Å; I508-L511 PolarHBondContact O-N 3.19Å; I508-R512 PolarHBondContact O-N 3.33Å; I508-R512 VanDerWaalsContact O-N 3.09Å
509K85.9Confident86.8Confident174 Ų174109 Ų10976%0.75754%0.544SS*.Hα-helixtrans-66.9-34.3177-169.8-180178-173.90112.3A505 P506 I507 P513A505-K509 WeakPolarHBondContact O-CB 3.34Å; A505-K509 PolarHBondContact O-N 3.02Å; A505-K509 VanDerWaalsContact O-N 3.08Å; P506-K509 WeakPolarHBondContact O-CA 3.43Å; P506-K509 WeakPolarHBondContact O-CB 3.46Å; P506-K509 PolarHBondContact O-N 2.87Å; I507-K509 VanDerWaalsContact C-N 3.27Å; I507-K509 PolarHBondContact O-N 3.05Å; K509-P513 WeakPolarHBondContact O-CD 3.38Å
510E85.2Confident87.2Confident130 Ų130107.1 Ų107.161%0.60754%0.538SS*.Hα-helixtrans-79.7-35.5173.4-68.4171.9-175.200112.7P506 I507 I508 R512 P513 L514P506-E510 PolarHBondContact O-N 3.32Å; I507-E510 PolarHBondContact O-N 2.81Å; I508-E510 VanDerWaalsContact C-N 3.35Å; E510-R512 VanDerWaalsContact C-N 3.31Å; E510-R512 PolarHBondContact O-N 2.96Å; E510-P513 VanDerWaalsContact O-CD 3.22Å; E510-P513 WeakPolarHBondContact O-CD 3.49Å; E510-P513 VanDerWaalsContact O-CG 3.27Å; E510-P513 WeakPolarHBondContact O-CG 3.28Å; E510-L514 PolarHBondContact O-N 3.37Å
511L85.4Confident87.6Confident70 Ų70106.1 Ų106.137%0.36654%0.538SS..Hα-helixtrans-73.9-22.9-177.4-141.1160.6000112I507 I508 R515I507-L511 HydrophobicContact CG2-CD1 4.22Å; I507-L511 VanDerWaalsContact O-CB 3.22Å; I507-L511 WeakPolarHBondContact O-CB 3.33Å; I507-L511 PolarHBondContact O-N 2.94Å; I508-L511 PolarHBondContact O-N 3.19Å; L511-R515 HydrophobicContact CD2-CG 3.87Å; L511-R515 WeakPolarHBondContact O-CB 3.49Å; L511-R515 WeakPolarHBondContact O-CG 3.33Å; L511-R515 PolarHBondContact O-N 2.91Å
512R89.1Confident88.1Confident203 Ų203102.1 Ų102.177%0.76653%0.527SS*.Hα-helixtrans-66.6-53.6176-166.4176.9-171.7177.32.9113.8I508 E510 L514 R515 Q516I508-R512 PolarHBondContact O-N 3.33Å; I508-R512 VanDerWaalsContact O-N 3.09Å; E510-R512 VanDerWaalsContact C-N 3.31Å; E510-R512 PolarHBondContact O-N 2.96Å; R512-L514 VanDerWaalsContact C-N 3.32Å; R512-L514 PolarHBondContact O-N 2.85Å; R512-R515 PolarHBondContact O-N 3.43Å; R512-Q516 PolarHBondContact O-N 3.37Å; R512-Q516 VanDerWaalsContact O-N 3.09Å
513P90.8Very high88.6Confident68 Ų68103.5 Ų103.544%0.44253%0.525SS..Hα-helixtrans-65-34.7174.625.4-34000112.3K509 E510 R515 Q516 Q517K509-P513 WeakPolarHBondContact O-CD 3.38Å; E510-P513 VanDerWaalsContact O-CD 3.22Å; E510-P513 WeakPolarHBondContact O-CD 3.49Å; E510-P513 VanDerWaalsContact O-CG 3.27Å; E510-P513 WeakPolarHBondContact O-CG 3.28Å; P513-R515 PolarHBondContact O-N 2.94Å; P513-Q516 PolarHBondContact O-N 2.62Å; P513-Q517 WeakPolarHBondContact O-CG 3.43Å; P513-Q517 PolarHBondContact O-N 2.8Å
514L87.1Confident89.2Confident95 Ų95105.1 Ų105.150%0.49752%0.523SS..Hα-helixtrans-62.3-40.7173.5-77.7166.3000112.4E510 R512 Q517 C518E510-L514 PolarHBondContact O-N 3.37Å; R512-L514 VanDerWaalsContact C-N 3.32Å; R512-L514 PolarHBondContact O-N 2.85Å; L514-Q517 PolarHBondContact O-N 2.81Å; L514-C518 WeakPolarHBondContact O-CB 3.39Å; L514-C518 PolarHBondContact O-N 2.62Å; L514-C518 PolarHBondContact O-SG 3.31Å
515R91.4Very high89.7Confident176 Ų176108 Ų10866%0.66453%0.529SS*.Hα-helixtrans-63.6-40.7173-81176.8-174.7-147.33.3112.5L511 R512 P513 C518 Q519L511-R515 HydrophobicContact CD2-CG 3.87Å; L511-R515 WeakPolarHBondContact O-CB 3.49Å; L511-R515 WeakPolarHBondContact O-CG 3.33Å; L511-R515 PolarHBondContact O-N 2.91Å; R512-R515 PolarHBondContact O-N 3.43Å; P513-R515 PolarHBondContact O-N 2.94Å; R515-C518 PolarHBondContact O-N 3.35Å; R515-Q519 WeakPolarHBondContact O-CB 3.24Å; R515-Q519 PolarHBondContact O-N 3.01Å
516Q93.1Very high90.2Very high97 Ų97111.3 Ų111.345%0.45354%0.535SS..Hα-helixtrans-62.6-49.6176.1-168.464.154.100110.4R512 P513 C518 Q519 D520R512-Q516 PolarHBondContact O-N 3.37Å; R512-Q516 VanDerWaalsContact O-N 3.09Å; P513-Q516 PolarHBondContact O-N 2.62Å; Q516-C518 VanDerWaalsContact C-N 3.34Å; Q516-C518 PolarHBondContact O-N 3.03Å; Q516-Q519 WeakPolarHBondContact O-CA 3.15Å; Q516-Q519 WeakPolarHBondContact O-CB 3.45Å; Q516-Q519 PolarHBondContact O-N 2.98Å; Q516-D520 PolarHBondContact NE2-OD1 3.03Å; Q516-D520 PolarHBondContact O-N 3.26Å
517Q92Very high90.7Very high122 Ų122112.8 Ų112.857%0.5754%0.536SS*.Hα-helixtrans-57.9-43175.9-73.8175.3-13.800112.7P513 L514 Q519 L521P513-Q517 WeakPolarHBondContact O-CG 3.43Å; P513-Q517 PolarHBondContact O-N 2.8Å; L514-Q517 PolarHBondContact O-N 2.81Å; Q517-Q519 VanDerWaalsContact C-N 3.34Å; Q517-L521 WeakPolarHBondContact O-CB 3.36Å; Q517-L521 PolarHBondContact O-N 3.21Å
518C89.5Confident91.3Very high79 Ų79114.1 Ų114.153%0.53454%0.538SS..Hα-helixtrans-61.9-41.6173.7-71.90000111.8L514 R515 Q516 T522L514-C518 WeakPolarHBondContact O-CB 3.39Å; L514-C518 PolarHBondContact O-N 2.62Å; L514-C518 PolarHBondContact O-SG 3.31Å; R515-C518 PolarHBondContact O-N 3.35Å; Q516-C518 VanDerWaalsContact C-N 3.34Å; Q516-C518 PolarHBondContact O-N 3.03Å; C518-T522 WeakPolarHBondContact O-CB 3.29Å; C518-T522 PolarHBondContact O-N 3.4Å; C518-T522 PolarHBondContact O-OG1 3.49Å
519Q93.9Very high91.9Very high127 Ų127113.7 Ų113.759%0.59353%0.533SS*.Hα-helixtrans-66.1-47.4178.6-175.8172.8-4.300111.9R515 Q516 Q517 L521 T522 Q523R515-Q519 WeakPolarHBondContact O-CB 3.24Å; R515-Q519 PolarHBondContact O-N 3.01Å; Q516-Q519 WeakPolarHBondContact O-CA 3.15Å; Q516-Q519 WeakPolarHBondContact O-CB 3.45Å; Q516-Q519 PolarHBondContact O-N 2.98Å; Q517-Q519 VanDerWaalsContact C-N 3.34Å; Q519-L521 VanDerWaalsContact C-N 3.33Å; Q519-L521 PolarHBondContact O-N 2.91Å; Q519-T522 PolarHBondContact O-N 2.89Å; Q519-Q523 PolarHBondContact O-N 3.27Å
520D94.1Very high92.4Very high81 Ų81108.3 Ų108.343%0.43352%0.52SS..Hα-helixtrans-60.8-43.4177.9-56.5-19.4000110.6Q516 Q523 E524Q516-D520 PolarHBondContact NE2-OD1 3.03Å; Q516-D520 PolarHBondContact O-N 3.26Å; D520-Q523 PolarHBondContact O-N 3.09Å; D520-E524 PolarHBondContact O-N 3.2Å
521L93.4Very high92.8Very high120 Ų120108.1 Ų108.163%0.62852%0.52SS*.Hα-helixtrans-72-32.3179-161.9113.9000112.6Q517 Q519 Y525Q517-L521 WeakPolarHBondContact O-CB 3.36Å; Q517-L521 PolarHBondContact O-N 3.21Å; Q519-L521 VanDerWaalsContact C-N 3.33Å; Q519-L521 PolarHBondContact O-N 2.91Å; L521-Y525 VanDerWaalsContact O-CB 3.25Å; L521-Y525 WeakPolarHBondContact O-CB 3.47Å; L521-Y525 PolarHBondContact O-N 3.39Å
522T93.5Very high93.3Very high71 Ų71112.5 Ų112.544%0.43653%0.533SS..Hα-helixtrans-66-43.3170.4-65.20000110.8C518 Q519 Y525 E526C518-T522 WeakPolarHBondContact O-CB 3.29Å; C518-T522 PolarHBondContact O-N 3.4Å; C518-T522 PolarHBondContact O-OG1 3.49Å; Q519-T522 PolarHBondContact O-N 2.89Å; T522-Y525 PolarHBondContact O-N 2.88Å; T522-E526 HydrophobicContact CG2-CG 4.42Å; T522-E526 WeakPolarHBondContact O-CB 3.26Å; T522-E526 WeakPolarHBondContact O-CG 3.41Å; T522-E526 PolarHBondContact O-N 2.84Å
523Q95.2Very high93.5Very high106 Ų106106.5 Ų106.550%0.49552%0.515SS..Hα-helixtrans-62.2-48.2175.4-177.6179.5-16.700111.4Q519 D520 Y525 E526 E527Q519-Q523 PolarHBondContact O-N 3.27Å; D520-Q523 PolarHBondContact O-N 3.09Å; Q523-Y525 VanDerWaalsContact C-N 3.27Å; Q523-Y525 PolarHBondContact O-N 3.04Å; Q523-E526 PolarHBondContact O-N 3.29Å; Q523-E527 HydrophobicContact CG-CG 4.44Å; Q523-E527 WeakPolarHBondContact CG-OE1 3.43Å; Q523-E527 PolarHBondContact NE2-OE1 2.88Å; Q523-E527 WeakPolarHBondContact O-CB 3.48Å; Q523-E527 WeakPolarHBondContact O-CG 3.5Å; Q523-E527 PolarHBondContact O-N 3.47Å
524E94.8Very high93.8Very high90 Ų90107.3 Ų107.342%0.42152%0.523SS..Hα-helixtrans-61-36.8177.5-169.1-173.8-177.500111.9D520 K528D520-E524 PolarHBondContact O-N 3.2Å; E524-K528 HydrophobicContact CG-CD 4.29Å; E524-K528 WeakPolarHBondContact O-CB 3.25Å; E524-K528 VanDerWaalsContact O-CG 3.32Å; E524-K528 WeakPolarHBondContact O-CG 3.49Å; E524-K528 PolarHBondContact O-N 3.28Å; E524-K528 VanDerWaalsContact OE1-CE 3.26Å; E524-K528 WeakPolarHBondContact OE1-CE 3.28Å; E524-K528 IonicContact OE1-NZ 3.58Å; E524-K528 PolarHBondContact OE1-NZ 3.38Å
525Y94.1Very high94.1Very high146 Ų146106.8 Ų106.857%0.57353%0.526SS*.Hα-helixtrans-65.8-46.5173.3173-96.5000112.3L521 T522 Q523 K528 K529L521-Y525 VanDerWaalsContact O-CB 3.25Å; L521-Y525 WeakPolarHBondContact O-CB 3.47Å; L521-Y525 PolarHBondContact O-N 3.39Å; T522-Y525 PolarHBondContact O-N 2.88Å; Q523-Y525 VanDerWaalsContact C-N 3.27Å; Q523-Y525 PolarHBondContact O-N 3.04Å; Y525-K528 PolarHBondContact O-N 2.82Å; Y525-K529 HydrophobicContact CE1-CD 4.05Å; Y525-K529 WeakPolarHBondContact O-CB 3.34Å; Y525-K529 PolarHBondContact O-N 3.17Å
526E95Very high94.1Very high124 Ų124100.1 Ų100.158%0.57951%0.509SS*.Hα-helixtrans-63.6-41.7178.6-75.7179.5177.700111.8T522 Q523 K529 A530T522-E526 HydrophobicContact CG2-CG 4.42Å; T522-E526 WeakPolarHBondContact O-CB 3.26Å; T522-E526 WeakPolarHBondContact O-CG 3.41Å; T522-E526 PolarHBondContact O-N 2.84Å; Q523-E526 PolarHBondContact O-N 3.29Å; E526-K529 PolarHBondContact O-N 2.84Å; E526-A530 WeakPolarHBondContact O-CB 3.25Å; E526-A530 PolarHBondContact O-N 3.36Å
527E95.9Very high94.2Very high97 Ų9798.3 Ų98.345%0.45351%0.511SS..Hα-helixtrans-63.3-47.7175.3-72.8177.4-165.700112Q523 K529 A530 Q531Q523-E527 HydrophobicContact CG-CG 4.44Å; Q523-E527 WeakPolarHBondContact CG-OE1 3.43Å; Q523-E527 PolarHBondContact NE2-OE1 2.88Å; Q523-E527 WeakPolarHBondContact O-CB 3.48Å; Q523-E527 WeakPolarHBondContact O-CG 3.5Å; Q523-E527 PolarHBondContact O-N 3.47Å; E527-K529 VanDerWaalsContact C-N 3.35Å; E527-K529 PolarHBondContact O-N 2.86Å; E527-A530 PolarHBondContact O-N 2.87Å; E527-Q531 WeakPolarHBondContact O-CG 3.48Å; E527-Q531 PolarHBondContact O-N 3.41Å
528K94.3Very high94.3Very high115 Ų11594.1 Ų94.150%0.550%0.5SS..Hα-helixtrans-66.2-36.4176.5-74.4177.4-173.7170.70112.4E524 Y525 Q531 Y532E524-K528 HydrophobicContact CG-CD 4.29Å; E524-K528 WeakPolarHBondContact O-CB 3.25Å; E524-K528 VanDerWaalsContact O-CG 3.32Å; E524-K528 WeakPolarHBondContact O-CG 3.49Å; E524-K528 PolarHBondContact O-N 3.28Å; E524-K528 VanDerWaalsContact OE1-CE 3.26Å; E524-K528 WeakPolarHBondContact OE1-CE 3.28Å; E524-K528 IonicContact OE1-NZ 3.58Å; E524-K528 PolarHBondContact OE1-NZ 3.38Å; Y525-K528 PolarHBondContact O-N 2.82Å; K528-Q531 PolarHBondContact O-N 3.23Å; K528-Y532 WeakPolarHBondContact O-CB 3.42Å; K528-Y532 PolarHBondContact O-N 2.92Å
529K96.6Very high94.4Very high97 Ų9796.3 Ų96.342%0.42251%0.506SS..Hα-helixtrans-65.4-46.3175.2-176.7-178.6175.3-174.40110.8Y525 E526 E527 Q531 Y532 D533Y525-K529 HydrophobicContact CE1-CD 4.05Å; Y525-K529 WeakPolarHBondContact O-CB 3.34Å; Y525-K529 PolarHBondContact O-N 3.17Å; E526-K529 PolarHBondContact O-N 2.84Å; E527-K529 VanDerWaalsContact C-N 3.35Å; E527-K529 PolarHBondContact O-N 2.86Å; K529-Q531 VanDerWaalsContact C-N 3.3Å; K529-Q531 PolarHBondContact O-N 2.85Å; K529-Y532 WeakPolarHBondContact O-CB 3.42Å; K529-Y532 PolarHBondContact O-N 3.15Å; K529-Y532 VanDerWaalsContact O-N 3.12Å; K529-D533 WeakPolarHBondContact CE-OD2 3.34Å; K529-D533 WeakPolarHBondContact CG-OD2 3.47Å; K529-D533 WeakPolarHBondContact O-CB 3.48Å; K529-D533 VanDerWaalsContact O-CG 3.27Å; K529-D533 PolarHBondContact O-N 3.23Å
530A95.8Very high94.4Very high60 Ų6095.5 Ų95.550%0.49650%0.502SS..Hα-helixtrans-60.9-38.5176.500000112.3E526 E527 S534E526-A530 WeakPolarHBondContact O-CB 3.25Å; E526-A530 PolarHBondContact O-N 3.36Å; E527-A530 PolarHBondContact O-N 2.87Å; A530-S534 WeakPolarHBondContact O-CB 3.14Å; A530-S534 PolarHBondContact O-N 2.97Å
531Q94.4Very high94.5Very high126 Ų12694.2 Ų94.259%0.58950%0.499SS*.Hα-helixtrans-64-44.4172.2-70.5171.924.100112.1E527 K528 K529 C535E527-Q531 WeakPolarHBondContact O-CG 3.48Å; E527-Q531 PolarHBondContact O-N 3.41Å; K528-Q531 PolarHBondContact O-N 3.23Å; K529-Q531 VanDerWaalsContact C-N 3.3Å; K529-Q531 PolarHBondContact O-N 2.85Å; Q531-C535 WeakPolarHBondContact O-CB 3.4Å; Q531-C535 PolarHBondContact O-N 2.74Å; Q531-C535 PolarHBondContact O-SG 2.9Å; Q531-C535 VanDerWaalsContact O-SG 3.36Å
532Y94.9Very high94.6Very high163 Ų16392.7 Ų92.764%0.63949%0.492SS*.Hα-helixtrans-62.6-51.2176.5175.7-94.1000111.9K528 K529 S534 C535 A536K528-Y532 WeakPolarHBondContact O-CB 3.42Å; K528-Y532 PolarHBondContact O-N 2.92Å; K529-Y532 WeakPolarHBondContact O-CB 3.42Å; K529-Y532 PolarHBondContact O-N 3.15Å; K529-Y532 VanDerWaalsContact O-N 3.12Å; Y532-S534 VanDerWaalsContact C-N 3.3Å; Y532-S534 PolarHBondContact O-N 3.45Å; Y532-C535 PolarHBondContact O-N 3.24Å; Y532-A536 HydrophobicContact CE1-CB 4.4Å; Y532-A536 VanDerWaalsContact O-CB 3.28Å; Y532-A536 WeakPolarHBondContact O-CB 3.3Å; Y532-A536 PolarHBondContact O-N 3.17Å
533D94.4Very high94.6Very high76 Ų7695.7 Ų95.741%0.40650%0.495SS..Hα-helixtrans-60.9-39.8-178.6-68.5-14.1000110.9K529 A537K529-D533 WeakPolarHBondContact CE-OD2 3.34Å; K529-D533 WeakPolarHBondContact CG-OD2 3.47Å; K529-D533 WeakPolarHBondContact O-CB 3.48Å; K529-D533 VanDerWaalsContact O-CG 3.27Å; K529-D533 PolarHBondContact O-N 3.23Å; D533-A537 VanDerWaalsContact O-CB 3.31Å; D533-A537 WeakPolarHBondContact O-CB 3.18Å; D533-A537 PolarHBondContact O-N 3Å
534S95.8Very high94.6Very high86 Ų8693 Ų9360%0.60149%0.489SS*.Hα-helixtrans-63.9-48.2174.3-176.60000112.6A530 Y532 A537 G538A530-S534 WeakPolarHBondContact O-CB 3.14Å; A530-S534 PolarHBondContact O-N 2.97Å; Y532-S534 VanDerWaalsContact C-N 3.3Å; Y532-S534 PolarHBondContact O-N 3.45Å; S534-A537 PolarHBondContact O-N 3.29Å; S534-G538 PolarHBondContact O-N 3.34Å
535C93.8Very high94.7Very high84 Ų8494 Ų9457%0.56849%0.491SS*.Hα-helixtrans-63.8-40.6176.1-75.60000112.3Q531 Y532 G538 L539Q531-C535 WeakPolarHBondContact O-CB 3.4Å; Q531-C535 PolarHBondContact O-N 2.74Å; Q531-C535 PolarHBondContact O-SG 2.9Å; Q531-C535 VanDerWaalsContact O-SG 3.36Å; Y532-C535 PolarHBondContact O-N 3.24Å; C535-G538 PolarHBondContact O-N 3.02Å; C535-L539 WeakPolarHBondContact O-CB 3.3Å; C535-L539 WeakPolarHBondContact O-CG 3.46Å; C535-L539 PolarHBondContact O-N 2.94Å
536A92.4Very high94.7Very high36 Ų3692 Ų9230%0.29849%0.49SS..Hα-helixtrans-63.7-47.9177.500000111.2Y532 G538 L539 E540Y532-A536 HydrophobicContact CE1-CB 4.4Å; Y532-A536 VanDerWaalsContact O-CB 3.28Å; Y532-A536 WeakPolarHBondContact O-CB 3.3Å; Y532-A536 PolarHBondContact O-N 3.17Å; A536-G538 VanDerWaalsContact C-N 3.32Å; A536-G538 PolarHBondContact O-N 3.42Å; A536-L539 PolarHBondContact O-N 2.94Å; A536-E540 WeakPolarHBondContact O-CB 3.27Å; A536-E540 PolarHBondContact O-N 3.08Å
537A93.9Very high94.6Very high59 Ų5989.9 Ų89.949%0.48848%0.48SS..Hα-helixtrans-61.6-38.5175.700000112.5D533 S534 S541D533-A537 VanDerWaalsContact O-CB 3.31Å; D533-A537 WeakPolarHBondContact O-CB 3.18Å; D533-A537 PolarHBondContact O-N 3Å; S534-A537 PolarHBondContact O-N 3.29Å; A537-S541 VanDerWaalsContact O-CB 3.29Å; A537-S541 WeakPolarHBondContact O-CB 3.46Å; A537-S541 PolarHBondContact O-N 2.98Å
538G94.6Very high94.6Very high34 Ų3491 Ų9135%0.35149%0.485SS..Hα-helixtrans-63.1-45.4173.900000113S534 C535 A536 N542S534-G538 PolarHBondContact O-N 3.34Å; C535-G538 PolarHBondContact O-N 3.02Å; A536-G538 VanDerWaalsContact C-N 3.32Å; A536-G538 PolarHBondContact O-N 3.42Å; G538-N542 VanDerWaalsContact O-CG 3.3Å; G538-N542 PolarHBondContact O-N 3.5Å; G538-N542 VanDerWaalsContact O-N 3.08Å; G538-N542 PolarHBondContact O-ND2 3.48Å
539L92.6Very high94.7Very high124 Ų12490.8 Ų90.865%0.64949%0.486SS*.Hα-helixtrans-66.4-40.2176.2-72.9171.9000112.2C535 A536 N542 R543C535-L539 WeakPolarHBondContact O-CB 3.3Å; C535-L539 WeakPolarHBondContact O-CG 3.46Å; C535-L539 PolarHBondContact O-N 2.94Å; A536-L539 PolarHBondContact O-N 2.94Å; L539-N542 PolarHBondContact O-N 3.46Å; L539-R543 WeakPolarHBondContact O-CB 3.3Å; L539-R543 PolarHBondContact O-N 3.08Å
540E93.4Very high94.6Very high110 Ų11089.5 Ų89.551%0.51449%0.486SS..Hα-helixtrans-67.4-40.5177.7179154.3-127.900112.3A536 R543 S544A536-E540 WeakPolarHBondContact O-CB 3.27Å; A536-E540 PolarHBondContact O-N 3.08Å; E540-R543 PolarHBondContact O-N 3.31Å; E540-R543 IonicContact OE1-CZ 3.62Å; E540-R543 IonicContact OE1-NH2 3.94Å; E540-R543 PolarHBondContact OE1-NH2 3.46Å; E540-S544 WeakPolarHBondContact O-CB 3.44Å; E540-S544 PolarHBondContact O-N 2.93Å
541S96.3Very high94.6Very high55 Ų5593 Ų9339%0.38549%0.486SS..Hα-helixtrans-58.7-46171.4178.80000111.7A537 S544 K545A537-S541 VanDerWaalsContact O-CB 3.29Å; A537-S541 WeakPolarHBondContact O-CB 3.46Å; A537-S541 PolarHBondContact O-N 2.98Å; S541-S544 PolarHBondContact O-N 3.25Å; S541-K545 WeakPolarHBondContact O-CG 3.37Å; S541-K545 PolarHBondContact O-N 2.85Å
542N95.1Very high94.7Very high88 Ų8889 Ų8947%0.47148%0.476SS..Hα-helixtrans-67.1-40.3177.9-71-16.9000112.3G538 L539 K545 L546G538-N542 VanDerWaalsContact O-CG 3.3Å; G538-N542 PolarHBondContact O-N 3.5Å; G538-N542 VanDerWaalsContact O-N 3.08Å; G538-N542 PolarHBondContact O-ND2 3.48Å; L539-N542 PolarHBondContact O-N 3.46Å; N542-K545 PolarHBondContact O-N 3.1Å; N542-L546 WeakPolarHBondContact O-CG 3.21Å; N542-L546 PolarHBondContact O-N 2.95Å
543R93.4Very high94.6Very high133 Ų13386.3 Ų86.350%0.50247%0.471SS..Hα-helixtrans-57.6-49.9171.6176.8-177.967.2159-2.2111L539 E540 K545 L546 E547L539-R543 WeakPolarHBondContact O-CB 3.3Å; L539-R543 PolarHBondContact O-N 3.08Å; E540-R543 PolarHBondContact O-N 3.31Å; E540-R543 IonicContact OE1-CZ 3.62Å; E540-R543 IonicContact OE1-NH2 3.94Å; E540-R543 PolarHBondContact OE1-NH2 3.46Å; R543-K545 VanDerWaalsContact C-N 3.33Å; R543-K545 PolarHBondContact O-N 3.22Å; R543-L546 PolarHBondContact O-N 2.82Å; R543-E547 WeakPolarHBondContact CD-OE1 2.76Å; R543-E547 HydrophobicContact CG-CG 4.33Å; R543-E547 WeakPolarHBondContact CG-OE1 3.28Å; R543-E547 IonicContact NE-OE1 3.57Å; R543-E547 WeakPolarHBondContact O-CB 3.38Å; R543-E547 WeakPolarHBondContact O-CG 3.22Å; R543-E547 PolarHBondContact O-N 3.12Å
544S95.3Very high94.6Very high51 Ų5190.9 Ų90.936%0.35748%0.483SS..Hα-helixtrans-60.7-41.2-178.2-172.50000112.1E540 S541 E547 Q548E540-S544 WeakPolarHBondContact O-CB 3.44Å; E540-S544 PolarHBondContact O-N 2.93Å; S541-S544 PolarHBondContact O-N 3.25Å; S544-E547 PolarHBondContact O-N 2.88Å; S544-Q548 WeakPolarHBondContact O-CG 3.42Å; S544-Q548 PolarHBondContact O-N 3.21Å
545K96.1Very high94.6Very high111 Ų11192.5 Ų92.548%0.48348%0.481SS..Hα-helixtrans-61.9-50.7173.5-71172.5-176.6177.20112.2S541 N542 R543 E547 Q548 E549S541-K545 WeakPolarHBondContact O-CG 3.37Å; S541-K545 PolarHBondContact O-N 2.85Å; N542-K545 PolarHBondContact O-N 3.1Å; R543-K545 VanDerWaalsContact C-N 3.33Å; R543-K545 PolarHBondContact O-N 3.22Å; K545-E547 VanDerWaalsContact C-N 3.29Å; K545-E547 PolarHBondContact O-N 2.77Å; K545-Q548 WeakPolarHBondContact O-CB 3.47Å; K545-Q548 PolarHBondContact O-N 3.47Å; K545-E549 PolarHBondContact O-N 2.86Å
546L93.9Very high94.7Very high103 Ų10393.9 Ų93.954%0.53948%0.479SS..Hα-helixtrans-61.1-37.1177.7-71.6169.5000112.1N542 R543 Q548 E549 V550N542-L546 WeakPolarHBondContact O-CG 3.21Å; N542-L546 PolarHBondContact O-N 2.95Å; R543-L546 PolarHBondContact O-N 2.82Å; L546-Q548 VanDerWaalsContact C-N 3.33Å; L546-Q548 PolarHBondContact O-N 2.83Å; L546-E549 PolarHBondContact O-N 3.36Å; L546-V550 WeakPolarHBondContact O-CB 3.49Å; L546-V550 VanDerWaalsContact O-CG2 3.25Å; L546-V550 WeakPolarHBondContact O-CG2 3.3Å; L546-V550 PolarHBondContact O-N 2.65Å
547E93.7Very high94.7Very high80 Ų8097.7 Ų97.737%0.37449%0.492SS..Hα-helixtrans-67.8-29.2174.3-76.7-178-159.900113.7R543 S544 K545 R551R543-E547 WeakPolarHBondContact CD-OE1 2.76Å; R543-E547 HydrophobicContact CG-CG 4.33Å; R543-E547 WeakPolarHBondContact CG-OE1 3.28Å; R543-E547 IonicContact NE-OE1 3.57Å; R543-E547 WeakPolarHBondContact O-CB 3.38Å; R543-E547 WeakPolarHBondContact O-CG 3.22Å; R543-E547 PolarHBondContact O-N 3.12Å; S544-E547 PolarHBondContact O-N 2.88Å; K545-E547 VanDerWaalsContact C-N 3.29Å; K545-E547 PolarHBondContact O-N 2.77Å; E547-R551 WeakPolarHBondContact O-CB 3.48Å; E547-R551 VanDerWaalsContact O-CG 3.28Å; E547-R551 WeakPolarHBondContact O-CG 3.3Å; E547-R551 PolarHBondContact O-N 2.64Å; E547-R551 PolarHBondContact O-NE 2.86Å; E547-R551 IonicContact OE2-NH2 2.72Å; E547-R551 PolarHBondContact OE2-NH2 3.43Å; E547-R551 VanDerWaalsContact OE2-NH2 3.09Å
548Q95.6Very high94.7Very high120 Ų12096.8 Ų96.856%0.56149%0.485SS*.Hα-helixtrans-75.1-44.4173-72.9175.713.700110.9S544 K545 L546 V550 R551 A552S544-Q548 WeakPolarHBondContact O-CG 3.42Å; S544-Q548 PolarHBondContact O-N 3.21Å; K545-Q548 WeakPolarHBondContact O-CB 3.47Å; K545-Q548 PolarHBondContact O-N 3.47Å; L546-Q548 VanDerWaalsContact C-N 3.33Å; L546-Q548 PolarHBondContact O-N 2.83Å; Q548-V550 PolarHBondContact O-N 3.36Å; Q548-R551 WeakPolarHBondContact O-CB 2.86Å; Q548-R551 PolarHBondContact O-N 3.08Å; Q548-R551 VanDerWaalsContact O-N 3.16Å; Q548-A552 PolarHBondContact O-N 3.39Å
549E96.3Very high94.8Very high111 Ų111101.1 Ų101.152%0.51950%0.496SS..Hα-helixtrans-59.2-45.8174.5-71171.1-166.600111.5K545 L546 R551 A552 L553K545-E549 PolarHBondContact O-N 2.86Å; L546-E549 PolarHBondContact O-N 3.36Å; E549-R551 VanDerWaalsContact C-N 3.3Å; E549-R551 PolarHBondContact O-N 3.41Å; E549-A552 PolarHBondContact O-N 2.82Å; E549-L553 WeakPolarHBondContact O-CB 3.35Å; E549-L553 WeakPolarHBondContact O-CG 3.37Å; E549-L553 PolarHBondContact O-N 3.4Å
550V94.5Very high94.8Very high70 Ų70100.3 Ų100.342%0.42449%0.489SS..Hα-helixtrans-64.9-32.1176169.60000112.2L546 Q548 R554L546-V550 WeakPolarHBondContact O-CB 3.49Å; L546-V550 VanDerWaalsContact O-CG2 3.25Å; L546-V550 WeakPolarHBondContact O-CG2 3.3Å; L546-V550 PolarHBondContact O-N 2.65Å; Q548-V550 PolarHBondContact O-N 3.36Å; V550-R554 WeakPolarHBondContact O-CB 3.35Å; V550-R554 WeakPolarHBondContact O-CD 3.26Å; V550-R554 VanDerWaalsContact O-CG 3.23Å; V550-R554 WeakPolarHBondContact O-CG 3.4Å; V550-R554 PolarHBondContact O-N 3.19Å
551R95.7Very high94.8Very high132 Ų132100.2 Ų100.250%0.49849%0.488SS..Hα-helixtrans-68.9-49.5173.1-83.8177.5-105.9-165.9-9.9111.3E547 Q548 E549 L553 R554 E555E547-R551 WeakPolarHBondContact O-CB 3.48Å; E547-R551 VanDerWaalsContact O-CG 3.28Å; E547-R551 WeakPolarHBondContact O-CG 3.3Å; E547-R551 PolarHBondContact O-N 2.64Å; E547-R551 PolarHBondContact O-NE 2.86Å; E547-R551 IonicContact OE2-NH2 2.72Å; E547-R551 PolarHBondContact OE2-NH2 3.43Å; E547-R551 VanDerWaalsContact OE2-NH2 3.09Å; Q548-R551 WeakPolarHBondContact O-CB 2.86Å; Q548-R551 PolarHBondContact O-N 3.08Å; Q548-R551 VanDerWaalsContact O-N 3.16Å; E549-R551 VanDerWaalsContact C-N 3.3Å; E549-R551 PolarHBondContact O-N 3.41Å; R551-L553 PolarHBondContact O-N 3.38Å; R551-R554 WeakPolarHBondContact O-CB 3.4Å; R551-R554 PolarHBondContact O-N 2.87Å; R551-R554 VanDerWaalsContact O-N 3.13Å; R551-E555 PolarHBondContact O-N 3.04Å
552A96.3Very high94.7Very high44 Ų44102.9 Ų102.936%0.36450%0.498SS..Hα-helixtrans-56.9-48.3177.300000111.9Q548 E549 R554 E555 E556Q548-A552 PolarHBondContact O-N 3.39Å; E549-A552 PolarHBondContact O-N 2.82Å; A552-R554 VanDerWaalsContact C-N 3.28Å; A552-R554 PolarHBondContact O-N 2.84Å; A552-E555 PolarHBondContact O-N 2.97Å; A552-E555 VanDerWaalsContact O-N 3.1Å; A552-E556 WeakPolarHBondContact O-CG 3.26Å; A552-E556 PolarHBondContact O-N 2.94Å
553L94.2Very high94.7Very high105 Ų105105.4 Ų105.455%0.5550%0.501SS..Hα-helixtrans-62.8-30.6177.8-70.5170.9000113.4E549 R551 M557E549-L553 WeakPolarHBondContact O-CB 3.35Å; E549-L553 WeakPolarHBondContact O-CG 3.37Å; E549-L553 PolarHBondContact O-N 3.4Å; R551-L553 PolarHBondContact O-N 3.38Å; L553-M557 VanDerWaalsContact O-CB 3.28Å; L553-M557 WeakPolarHBondContact O-CB 3.37Å; L553-M557 PolarHBondContact O-N 3.39Å
554R94.2Very high94.8Very high172 Ų172105.8 Ų105.865%0.64950%0.504SS*.Hα-helixtrans-73.6-37.4173.2-76.8172.7179.1-170.81.4112.2V550 R551 A552 A558V550-R554 WeakPolarHBondContact O-CB 3.35Å; V550-R554 WeakPolarHBondContact O-CD 3.26Å; V550-R554 VanDerWaalsContact O-CG 3.23Å; V550-R554 WeakPolarHBondContact O-CG 3.4Å; V550-R554 PolarHBondContact O-N 3.19Å; R551-R554 WeakPolarHBondContact O-CB 3.4Å; R551-R554 PolarHBondContact O-N 2.87Å; R551-R554 VanDerWaalsContact O-N 3.13Å; A552-R554 VanDerWaalsContact C-N 3.28Å; A552-R554 PolarHBondContact O-N 2.84Å; R554-A558 WeakPolarHBondContact O-CB 3.34Å; R554-A558 PolarHBondContact O-N 2.9Å
555E95.6Very high94.7Very high120 Ų120108.6 Ų108.656%0.56151%0.511SS*.Hα-helixtrans-67.8-41.7175.2-71.6173.5-162.300111.1R551 A552 A558 Q559R551-E555 PolarHBondContact O-N 3.04Å; A552-E555 PolarHBondContact O-N 2.97Å; A552-E555 VanDerWaalsContact O-N 3.1Å; E555-A558 PolarHBondContact O-N 3.49Å; E555-Q559 WeakPolarHBondContact O-CB 3.29Å; E555-Q559 VanDerWaalsContact O-CG 3.25Å; E555-Q559 WeakPolarHBondContact O-CG 3.49Å; E555-Q559 PolarHBondContact O-N 3.22Å
556E95.6Very high94.7Very high114 Ų114110.6 Ų110.653%0.53352%0.517SS..Hα-helixtrans-61-46.6172-72.7178-178.500112A552 A558 Q559 E560A552-E556 WeakPolarHBondContact O-CG 3.26Å; A552-E556 PolarHBondContact O-N 2.94Å; E556-A558 PolarHBondContact O-N 3.43Å; E556-Q559 PolarHBondContact O-N 3.02Å; E556-E560 PolarHBondContact O-N 2.62Å
557M93.5Very high94.7Very high115 Ų115110 Ų11057%0.56751%0.513SS*.Hα-helixtrans-57.1-49.3175.3-177.7-174-59.100111.5L553 Q559 E560 E561L553-M557 VanDerWaalsContact O-CB 3.28Å; L553-M557 WeakPolarHBondContact O-CB 3.37Å; L553-M557 PolarHBondContact O-N 3.39Å; M557-Q559 VanDerWaalsContact C-N 3.32Å; M557-Q559 PolarHBondContact O-N 2.84Å; M557-E560 PolarHBondContact O-N 2.7Å; M557-E561 WeakPolarHBondContact O-CB 3.43Å; M557-E561 WeakPolarHBondContact O-CG 3.39Å; M557-E561 PolarHBondContact O-N 3.22Å
558A93.5Very high94.8Very high40 Ų40108.4 Ų108.433%0.33151%0.507SS..Hα-helixtrans-64.3-34.7178.100000112.5R554 E555 E556 N562R554-A558 WeakPolarHBondContact O-CB 3.34Å; R554-A558 PolarHBondContact O-N 2.9Å; E555-A558 PolarHBondContact O-N 3.49Å; E556-A558 PolarHBondContact O-N 3.43Å; A558-N562 WeakPolarHBondContact O-CB 3.47Å; A558-N562 VanDerWaalsContact O-CG 3.24Å; A558-N562 PolarHBondContact O-N 2.88Å; A558-N562 PolarHBondContact O-ND2 3.27Å
559Q95.6Very high94.7Very high126 Ų126105.9 Ų105.959%0.58950%0.502SS*.Hα-helixtrans-66.4-44.7174.8-75.5174.640.800111.9E555 E556 M557 N562 R563E555-Q559 WeakPolarHBondContact O-CB 3.29Å; E555-Q559 VanDerWaalsContact O-CG 3.25Å; E555-Q559 WeakPolarHBondContact O-CG 3.49Å; E555-Q559 PolarHBondContact O-N 3.22Å; E556-Q559 PolarHBondContact O-N 3.02Å; M557-Q559 VanDerWaalsContact C-N 3.32Å; M557-Q559 PolarHBondContact O-N 2.84Å; Q559-N562 PolarHBondContact O-N 3.26Å; Q559-R563 WeakPolarHBondContact O-CB 3.35Å; Q559-R563 PolarHBondContact O-N 3.27Å
560E92.5Very high94.6Very high106 Ų106104.1 Ų104.150%0.49549%0.494SS..Hα-helixtrans-72.3-32.3178.1-73.4-63145.900112.6E556 M557 R563 Y564E556-E560 PolarHBondContact O-N 2.62Å; M557-E560 PolarHBondContact O-N 2.7Å; E560-R563 PolarHBondContact O-N 2.89Å; E560-R563 IonicContact OE1-CZ 2.69Å; E560-R563 IonicContact OE1-NH1 3.42Å; E560-R563 PolarHBondContact OE1-NH1 2.96Å; E560-R563 WeakPolarHBondContact OE2-CD 3.33Å; E560-R563 IonicContact OE2-NH1 2.94Å; E560-Y564 VanDerWaalsContact O-CB 3.31Å; E560-Y564 WeakPolarHBondContact O-CB 3.23Å; E560-Y564 PolarHBondContact O-N 3.28Å
561E93.8Very high94.7Very high108 Ų108106 Ų10651%0.50550%0.497SS..Hα-helixtrans-62.2-48.4168.4-76.4-180163.800111.6M557 R563 Y564 H565M557-E561 WeakPolarHBondContact O-CB 3.43Å; M557-E561 WeakPolarHBondContact O-CG 3.39Å; M557-E561 PolarHBondContact O-N 3.22Å; E561-R563 VanDerWaalsContact C-N 3.29Å; E561-R563 PolarHBondContact O-N 3.5Å; E561-Y564 WeakPolarHBondContact O-CB 3.06Å; E561-Y564 PolarHBondContact O-N 2.88Å; E561-H565 PolarHBondContact O-CD2 3.34Å; E561-H565 PolarHBondContact O-N 2.9Å
562N94Very high94.6Very high112 Ų112105.3 Ų105.360%0.59950%0.5SS*.Hα-helixtrans-59.1-41175.2-78.8-49.8000111.8A558 Q559 H565 Y566A558-N562 WeakPolarHBondContact O-CB 3.47Å; A558-N562 VanDerWaalsContact O-CG 3.24Å; A558-N562 PolarHBondContact O-N 2.88Å; A558-N562 PolarHBondContact O-ND2 3.27Å; Q559-N562 PolarHBondContact O-N 3.26Å; N562-H565 PolarHBondContact O-N 3Å; N562-Y566 WeakPolarHBondContact O-CB 3.46Å; N562-Y566 PolarHBondContact O-N 3.39Å
563R96.2Very high94.5Very high141 Ų141107.3 Ų107.353%0.53250%0.503SS..Hα-helixtrans-65.3-42.7176.3-171.9-174.8-174.2172.71.1112Q559 E560 E561 Y566 I567Q559-R563 WeakPolarHBondContact O-CB 3.35Å; Q559-R563 PolarHBondContact O-N 3.27Å; E560-R563 PolarHBondContact O-N 2.89Å; E560-R563 IonicContact OE1-CZ 2.69Å; E560-R563 IonicContact OE1-NH1 3.42Å; E560-R563 PolarHBondContact OE1-NH1 2.96Å; E560-R563 WeakPolarHBondContact OE2-CD 3.33Å; E560-R563 IonicContact OE2-NH1 2.94Å; E561-R563 VanDerWaalsContact C-N 3.29Å; E561-R563 PolarHBondContact O-N 3.5Å; R563-Y566 PolarHBondContact O-N 3.2Å; R563-I567 HydrophobicContact CG-CD1 3.93Å; R563-I567 WeakPolarHBondContact O-CB 3.44Å; R563-I567 VanDerWaalsContact O-CG1 3.27Å; R563-I567 WeakPolarHBondContact O-CG1 3.27Å; R563-I567 PolarHBondContact O-N 3.49Å
564Y95.6Very high94.4Very high141 Ų141106.2 Ų106.255%0.55350%0.497SS*.Hα-helixtrans-60-48.7174.7169.4-102.2000111.4E560 E561 Y566 I567 N568E560-Y564 VanDerWaalsContact O-CB 3.31Å; E560-Y564 WeakPolarHBondContact O-CB 3.23Å; E560-Y564 PolarHBondContact O-N 3.28Å; E561-Y564 WeakPolarHBondContact O-CB 3.06Å; E561-Y564 PolarHBondContact O-N 2.88Å; Y564-Y566 PolarHBondContact O-N 3.28Å; Y564-I567 PolarHBondContact O-N 3.28Å; Y564-N568 PolarHBondContact O-N 2.94Å; Y564-N568 PolarHBondContact OH-ND2 3.09Å; Y564-N568 VanDerWaalsContact OH-ND2 3.09Å
565H93.3Very high94.4Very high110 Ų110102.1 Ų102.151%0.50949%0.485SS..Hα-helixtrans-62-44.1176.5-73.4-60.6000112.3E561 N562 I567 N568 C569E561-H565 PolarHBondContact O-CD2 3.34Å; E561-H565 PolarHBondContact O-N 2.9Å; N562-H565 PolarHBondContact O-N 3Å; H565-I567 PolarHBondContact O-N 2.84Å; H565-N568 PolarHBondContact O-N 2.89Å; H565-C569 PolarHBondContact O-N 2.68Å; H565-C569 PolarHBondContact O-SG 3.23Å; H565-C569 VanDerWaalsContact O-SG 3.34Å
566Y95.1Very high94.2Very high153 Ų153101.4 Ų101.460%0.648%0.483SS*.Hα-helixtrans-59.3-46.4175176.2-100.4000112.3N562 R563 Y564 N568 C569 M570N562-Y566 WeakPolarHBondContact O-CB 3.46Å; N562-Y566 PolarHBondContact O-N 3.39Å; R563-Y566 PolarHBondContact O-N 3.2Å; Y564-Y566 PolarHBondContact O-N 3.28Å; Y566-N568 PolarHBondContact O-N 3.18Å; Y566-C569 PolarHBondContact O-N 3.29Å; Y566-M570 HydrophobicContact CD1-CG 4.35Å; Y566-M570 HydrophobicContact CD2-CG 4.48Å; Y566-M570 HydrophobicContact CE1-CG 3.9Å; Y566-M570 HydrophobicContact CE2-CG 4.05Å; Y566-M570 HydrophobicContact CE2-SD 4.42Å; Y566-M570 WeakPolarHBondContact O-CB 3.07Å; Y566-M570 WeakPolarHBondContact O-CG 3.41Å; Y566-M570 PolarHBondContact O-N 3.28Å
567I94.7Very high94Very high91 Ų91101.4 Ų101.447%0.46748%0.483SS..Hα-helixtrans-64.5-39.6178.3-70.5170000111.1R563 Y564 H565 M570 K571R563-I567 HydrophobicContact CG-CD1 3.93Å; R563-I567 WeakPolarHBondContact O-CB 3.44Å; R563-I567 VanDerWaalsContact O-CG1 3.27Å; R563-I567 WeakPolarHBondContact O-CG1 3.27Å; R563-I567 PolarHBondContact O-N 3.49Å; Y564-I567 PolarHBondContact O-N 3.28Å; H565-I567 PolarHBondContact O-N 2.84Å; I567-M570 PolarHBondContact O-N 3.49Å; I567-K571 VanDerWaalsContact O-CB 3.29Å; I567-K571 WeakPolarHBondContact O-CB 3.38Å; I567-K571 PolarHBondContact O-N 3.03Å
568N95.3Very high93.9Very high45 Ų45102 Ų10224%0.24149%0.486CS..Hα-helixtrans-64.3-46.4175.1-90.4-6.4000112.2Y564 H565 Y566 M570 K571 E572Y564-N568 PolarHBondContact O-N 2.94Å; Y564-N568 PolarHBondContact OH-ND2 3.09Å; Y564-N568 VanDerWaalsContact OH-ND2 3.09Å; H565-N568 PolarHBondContact O-N 2.89Å; Y566-N568 PolarHBondContact O-N 3.18Å; N568-M570 VanDerWaalsContact C-N 3.31Å; N568-M570 PolarHBondContact O-N 3.45Å; N568-K571 WeakPolarHBondContact O-CB 3.33Å; N568-K571 PolarHBondContact O-N 3.43Å; N568-K571 VanDerWaalsContact O-N 3.13Å; N568-E572 WeakPolarHBondContact O-CG 3.4Å; N568-E572 PolarHBondContact O-N 3.41Å
569C93.6Very high93.8Very high67 Ų67105.2 Ų105.245%0.45349%0.494SS..Hα-helixtrans-60.1-41.8175.1-67.30000111.7H565 Y566 E572 I573H565-C569 PolarHBondContact O-N 2.68Å; H565-C569 PolarHBondContact O-SG 3.23Å; H565-C569 VanDerWaalsContact O-SG 3.34Å; Y566-C569 PolarHBondContact O-N 3.29Å; C569-E572 PolarHBondContact O-N 3.23Å; C569-I573 WeakPolarHBondContact O-CD1 3.47Å; C569-I573 VanDerWaalsContact O-CG1 3.25Å; C569-I573 WeakPolarHBondContact O-CG1 3.23Å; C569-I573 PolarHBondContact O-N 3.09Å
570M95.1Very high93.4Very high74 Ų74106 Ų10637%0.36549%0.492SS..Hα-helixtrans-64.3-38.6174.8-74.1-59.7-58.700112.3Y566 I567 N568 I573 I574Y566-M570 HydrophobicContact CD1-CG 4.35Å; Y566-M570 HydrophobicContact CD2-CG 4.48Å; Y566-M570 HydrophobicContact CE1-CG 3.9Å; Y566-M570 HydrophobicContact CE2-CG 4.05Å; Y566-M570 HydrophobicContact CE2-SD 4.42Å; Y566-M570 WeakPolarHBondContact O-CB 3.07Å; Y566-M570 WeakPolarHBondContact O-CG 3.41Å; Y566-M570 PolarHBondContact O-N 3.28Å; I567-M570 PolarHBondContact O-N 3.49Å; N568-M570 VanDerWaalsContact C-N 3.31Å; N568-M570 PolarHBondContact O-N 3.45Å; M570-I573 PolarHBondContact O-N 3.33Å; M570-I573 HydrophobicContact SD-CD1 4.44Å; M570-I574 VanDerWaalsContact O-CG1 3.26Å; M570-I574 WeakPolarHBondContact O-CG1 3.48Å; M570-I574 PolarHBondContact O-N 3.18Å
571K94.6Very high93.2Very high109 Ų109103.8 Ų103.847%0.47449%0.492SS..Hα-helixtrans-62.3-48.9174.4178.8-167.1162.2-164.30111I567 N568 I573 I574 E575I567-K571 VanDerWaalsContact O-CB 3.29Å; I567-K571 WeakPolarHBondContact O-CB 3.38Å; I567-K571 PolarHBondContact O-N 3.03Å; N568-K571 WeakPolarHBondContact O-CB 3.33Å; N568-K571 PolarHBondContact O-N 3.43Å; N568-K571 VanDerWaalsContact O-N 3.13Å; K571-I573 VanDerWaalsContact C-N 3.33Å; K571-I573 PolarHBondContact O-N 3.46Å; K571-I574 PolarHBondContact O-N 3.46Å; K571-I574 VanDerWaalsContact O-N 3.12Å; K571-E575 WeakPolarHBondContact CE-OE1 3.34Å; K571-E575 HydrophobicContact CG-CG 4.47Å; K571-E575 IonicContact NZ-OE1 3.99Å; K571-E575 WeakPolarHBondContact O-CG 3.4Å; K571-E575 PolarHBondContact O-N 3.22Å
572E94Very high92.9Very high119 Ų119101.5 Ų101.556%0.55649%0.491SS*.Hα-helixtrans-59.5-41.8177-72.4173.9-171.500111.8N568 C569 I574 E575 M576N568-E572 WeakPolarHBondContact O-CG 3.4Å; N568-E572 PolarHBondContact O-N 3.41Å; C569-E572 PolarHBondContact O-N 3.23Å; E572-I574 VanDerWaalsContact C-N 3.35Å; E572-I574 PolarHBondContact O-N 3.06Å; E572-E575 PolarHBondContact O-N 3.42Å; E572-M576 WeakPolarHBondContact O-CB 3.48Å; E572-M576 WeakPolarHBondContact O-CG 3.44Å; E572-M576 PolarHBondContact O-N 3.07Å
573I93.8Very high92.5Very high85 Ų85102.2 Ų102.244%0.43649%0.491SS..Hα-helixtrans-60.9-43.2174.4-69.9164.7000111.1C569 M570 K571 M576 Q577C569-I573 WeakPolarHBondContact O-CD1 3.47Å; C569-I573 VanDerWaalsContact O-CG1 3.25Å; C569-I573 WeakPolarHBondContact O-CG1 3.23Å; C569-I573 PolarHBondContact O-N 3.09Å; M570-I573 PolarHBondContact O-N 3.33Å; M570-I573 HydrophobicContact SD-CD1 4.44Å; K571-I573 VanDerWaalsContact C-N 3.33Å; K571-I573 PolarHBondContact O-N 3.46Å; I573-M576 PolarHBondContact O-N 3.45Å; I573-Q577 VanDerWaalsContact O-CG 3.28Å; I573-Q577 WeakPolarHBondContact O-CG 3.42Å; I573-Q577 PolarHBondContact O-N 3.41Å
574I93.6Very high92Very high83 Ų8397.8 Ų97.843%0.42648%0.476SS..Hα-helixtrans-68.3-41.8178.1-68.2168.1000110.9M570 K571 E572 M576 Q577 M578M570-I574 VanDerWaalsContact O-CG1 3.26Å; M570-I574 WeakPolarHBondContact O-CG1 3.48Å; M570-I574 PolarHBondContact O-N 3.18Å; K571-I574 PolarHBondContact O-N 3.46Å; K571-I574 VanDerWaalsContact O-N 3.12Å; E572-I574 VanDerWaalsContact C-N 3.35Å; E572-I574 PolarHBondContact O-N 3.06Å; I574-M576 PolarHBondContact O-N 3.17Å; I574-Q577 PolarHBondContact O-N 3.2Å; I574-Q577 VanDerWaalsContact O-N 3.15Å; I574-M578 HydrophobicContact CG2-CG 4.38Å; I574-M578 HydrophobicContact CG2-SD 4.18Å; I574-M578 WeakPolarHBondContact O-CG 3.29Å; I574-M578 PolarHBondContact O-N 3.13Å
575E93.9Very high91.4Very high85 Ų8596.9 Ų96.940%0.39748%0.479SS..Hα-helixtrans-60.9-43.4175.3-74.6178.7167.100111.2K571 E572 Q577 M578 Q579K571-E575 WeakPolarHBondContact CE-OE1 3.34Å; K571-E575 HydrophobicContact CG-CG 4.47Å; K571-E575 IonicContact NZ-OE1 3.99Å; K571-E575 WeakPolarHBondContact O-CG 3.4Å; K571-E575 PolarHBondContact O-N 3.22Å; E572-E575 PolarHBondContact O-N 3.42Å; E575-Q577 PolarHBondContact O-N 3.41Å; E575-M578 PolarHBondContact O-N 2.93Å; E575-Q579 WeakPolarHBondContact O-CG 3.3Å; E575-Q579 PolarHBondContact O-N 3.2Å
576M91.3Very high91.1Very high105 Ų10599.5 Ų99.552%0.51749%0.489SS..Hα-helixtrans-63.2-37.8172.7-74.5-60.8-56.800112.8E572 I573 I574 R580E572-M576 WeakPolarHBondContact O-CB 3.48Å; E572-M576 WeakPolarHBondContact O-CG 3.44Å; E572-M576 PolarHBondContact O-N 3.07Å; I573-M576 PolarHBondContact O-N 3.45Å; I574-M576 PolarHBondContact O-N 3.17Å; M576-R580 WeakPolarHBondContact O-CB 3.45Å; M576-R580 VanDerWaalsContact O-CG 3.28Å; M576-R580 WeakPolarHBondContact O-CG 3.3Å; M576-R580 PolarHBondContact O-N 2.8Å
577Q91Very high90.5Very high114 Ų11493.1 Ų93.153%0.53347%0.468SS..Hα-helixtrans-67.3-40.2174.1-74.1175.319.500111.9I573 I574 E575 R580 A581I573-Q577 VanDerWaalsContact O-CG 3.28Å; I573-Q577 WeakPolarHBondContact O-CG 3.42Å; I573-Q577 PolarHBondContact O-N 3.41Å; I574-Q577 PolarHBondContact O-N 3.2Å; I574-Q577 VanDerWaalsContact O-N 3.15Å; E575-Q577 PolarHBondContact O-N 3.41Å; Q577-R580 PolarHBondContact O-N 3.1Å; Q577-A581 WeakPolarHBondContact O-CB 3.41Å; Q577-A581 PolarHBondContact O-N 3.29Å
578M91.8Very high89.9Confident129 Ų12994.4 Ų94.464%0.63547%0.467SS*.Hα-helixtrans-65-42.1175.1-73-179.467.300111.8I574 E575 A581 A582I574-M578 HydrophobicContact CG2-CG 4.38Å; I574-M578 HydrophobicContact CG2-SD 4.18Å; I574-M578 WeakPolarHBondContact O-CG 3.29Å; I574-M578 PolarHBondContact O-N 3.13Å; E575-M578 PolarHBondContact O-N 2.93Å; M578-A581 PolarHBondContact O-N 3.31Å; M578-A582 WeakPolarHBondContact O-CB 3.38Å; M578-A582 PolarHBondContact O-N 3.22Å
579Q90.8Very high89.3Confident106 Ų10697 Ų9750%0.49548%0.484SS..Hα-helixtrans-60.5-50.3173.5-73.5175.516.900111E575 A581 A582 E583E575-Q579 WeakPolarHBondContact O-CG 3.3Å; E575-Q579 PolarHBondContact O-N 3.2Å; Q579-A581 VanDerWaalsContact C-N 3.3Å; Q579-A581 PolarHBondContact O-N 2.83Å; Q579-A582 WeakPolarHBondContact O-CB 3.24Å; Q579-A582 PolarHBondContact O-N 3.22Å; Q579-A582 VanDerWaalsContact O-N 3.09Å; Q579-E583 WeakPolarHBondContact O-CG 3.41Å; Q579-E583 PolarHBondContact O-N 3.4Å
580R87.2Confident88.7Confident143 Ų14394.5 Ų94.554%0.5447%0.468SS..Hα-helixtrans-58.6-39.3176.3-73.8175.965.1-168.7-0.6112.8M576 Q577 E584M576-R580 WeakPolarHBondContact O-CB 3.45Å; M576-R580 VanDerWaalsContact O-CG 3.28Å; M576-R580 WeakPolarHBondContact O-CG 3.3Å; M576-R580 PolarHBondContact O-N 2.8Å; Q577-R580 PolarHBondContact O-N 3.1Å; R580-E584 WeakPolarHBondContact O-CB 3.29Å; R580-E584 PolarHBondContact O-N 2.75Å
581A87.9Confident87.7Confident60 Ų6096.8 Ų96.850%0.49649%0.488SS..Hα-helixtrans-67.6-38.3175.700000112.3Q577 M578 Q579 M585Q577-A581 WeakPolarHBondContact O-CB 3.41Å; Q577-A581 PolarHBondContact O-N 3.29Å; M578-A581 PolarHBondContact O-N 3.31Å; Q579-A581 VanDerWaalsContact C-N 3.3Å; Q579-A581 PolarHBondContact O-N 2.83Å; A581-M585 VanDerWaalsContact O-CB 3.3Å; A581-M585 WeakPolarHBondContact O-CB 3.46Å; A581-M585 PolarHBondContact O-N 3.39Å
582A87.9Confident87Confident60 Ų6095 Ų9550%0.49648%0.484SS..Hα-helixtrans-68.4-39.6175.200000112.3M578 Q579 M585 K586M578-A582 WeakPolarHBondContact O-CB 3.38Å; M578-A582 PolarHBondContact O-N 3.22Å; Q579-A582 WeakPolarHBondContact O-CB 3.24Å; Q579-A582 PolarHBondContact O-N 3.22Å; Q579-A582 VanDerWaalsContact O-N 3.09Å; A582-M585 PolarHBondContact O-N 2.75Å; A582-K586 VanDerWaalsContact O-CB 3.28Å; A582-K586 WeakPolarHBondContact O-CB 3.39Å; A582-K586 PolarHBondContact O-N 2.94Å
583E85.9Confident86.1Confident127 Ų12793.7 Ų93.759%0.59349%0.486SS*.Hα-helixtrans-65-46.5174.1-72.6178164.700112.1Q579 M585 K586 A587Q579-E583 WeakPolarHBondContact O-CG 3.41Å; Q579-E583 PolarHBondContact O-N 3.4Å; E583-M585 VanDerWaalsContact C-N 3.35Å; E583-M585 PolarHBondContact O-N 2.73Å; E583-K586 PolarHBondContact O-N 2.88Å; E583-A587 WeakPolarHBondContact O-CB 3.48Å; E583-A587 PolarHBondContact O-N 3.38Å
584E85.8Confident85.3Confident48 Ų4896.2 Ų96.222%0.22450%0.496CS..Hα-helixtrans-59.9-44.5174.5-178.876.9172.200110.8R580 K586 A587 Y588 T599 I600 R601R580-E584 WeakPolarHBondContact O-CB 3.29Å; R580-E584 PolarHBondContact O-N 2.75Å; E584-K586 PolarHBondContact O-N 3.01Å; E584-A587 PolarHBondContact O-N 3.29Å; E584-Y588 VanDerWaalsContact O-CB 3.25Å; E584-Y588 WeakPolarHBondContact O-CB 3.41Å; E584-Y588 PolarHBondContact O-N 3.19Å; E584-T599 WeakPolarHBondContact OE1-CB 3.48Å; E584-T599 VanDerWaalsContact OE2-CA 3.29Å; E584-T599 WeakPolarHBondContact OE2-CA 3.33Å; E584-I600 VanDerWaalsContact CD-N 3.27Å; E584-I600 WeakPolarHBondContact OE1-CB 3.14Å; E584-I600 PolarHBondContact OE1-N 3.49Å; E584-I600 PolarHBondContact OE2-N 3.02Å; E584-R601 PolarHBondContact OE1-N 3.4Å
585M83.9Confident84.4Confident122 Ų12295.7 Ų95.760%0.60149%0.491SS*.Hα-helixtrans-62.8-42.1176.1-168.870.674.200111.7A581 A582 E583 Y588 V589A581-M585 VanDerWaalsContact O-CB 3.3Å; A581-M585 WeakPolarHBondContact O-CB 3.46Å; A581-M585 PolarHBondContact O-N 3.39Å; A582-M585 PolarHBondContact O-N 2.75Å; E583-M585 VanDerWaalsContact C-N 3.35Å; E583-M585 PolarHBondContact O-N 2.73Å; M585-Y588 PolarHBondContact O-N 2.79Å; M585-V589 WeakPolarHBondContact O-CB 3.32Å; M585-V589 WeakPolarHBondContact O-CG2 3.47Å; M585-V589 PolarHBondContact O-N 3.08Å
586K85.9Confident83.5Confident165 Ų16596.4 Ų96.472%0.71749%0.491SS*.Hα-helixtrans-63.3-46176.6-174.4-175.9178.5-172.20111.4A582 E583 E584 V589 S590A582-K586 VanDerWaalsContact O-CB 3.28Å; A582-K586 WeakPolarHBondContact O-CB 3.39Å; A582-K586 PolarHBondContact O-N 2.94Å; E583-K586 PolarHBondContact O-N 2.88Å; E584-K586 PolarHBondContact O-N 3.01Å; K586-V589 PolarHBondContact O-N 3.02Å; K586-S590 WeakPolarHBondContact O-CB 3.49Å; K586-S590 PolarHBondContact O-N 3.09Å
587A83.5Confident82.8Confident19 Ų19100 Ų10016%0.15750%0.498CS..Hα-helixtrans-65.7-36.8177.200000112.4E583 E584 S590 R596 T599E583-A587 WeakPolarHBondContact O-CB 3.48Å; E583-A587 PolarHBondContact O-N 3.38Å; E584-A587 PolarHBondContact O-N 3.29Å; A587-S590 WeakPolarHBondContact O-CB 3.37Å; A587-R596 WeakPolarHBondContact O-CG 3.24Å; A587-T599 HydrophobicContact CB-CG2 3.89Å
588Y80.3Confident82.2Confident117 Ų117100.6 Ų100.646%0.45950%0.499SS..Hα-helixtrans-68-41.4176.8-177.6-104.4000112.9E584 M585 R596E584-Y588 VanDerWaalsContact O-CB 3.25Å; E584-Y588 WeakPolarHBondContact O-CB 3.41Å; E584-Y588 PolarHBondContact O-N 3.19Å; M585-Y588 PolarHBondContact O-N 2.79Å; Y588-R596 PolarHBondContact O-NE 2.99Å
589V84.1Confident81.8Confident99 Ų9994.5 Ų94.560%0.647%0.469SS*.Hα-helixtrans-79.5-22.9178.61780000112.1M585 K586 R596M585-V589 WeakPolarHBondContact O-CB 3.32Å; M585-V589 WeakPolarHBondContact O-CG2 3.47Å; M585-V589 PolarHBondContact O-N 3.08Å; K586-V589 PolarHBondContact O-N 3.02Å; V589-R596 PolarHBondContact O-NH2 2.84Å
590S81.3Confident81.3Confident16 Ų1692.5 Ų92.511%0.11246%0.461CS..  trans-46.6136.2179.8-1720000112.3K586 A587 D592 E595 R596K586-S590 WeakPolarHBondContact O-CB 3.49Å; K586-S590 PolarHBondContact O-N 3.09Å; A587-S590 WeakPolarHBondContact O-CB 3.37Å; S590-D592 PolarHBondContact O-N 2.84Å; S590-E595 WeakPolarHBondContact CB-OE2 3.29Å; S590-E595 PolarHBondContact OG-OE2 3.46Å; S590-R596 VanDerWaalsContact O-CZ 3.24Å; S590-R596 PolarHBondContact O-NE 3.4Å; S590-R596 PolarHBondContact O-NH2 3.46Å
591P72.6Confident81.1Confident122 Ų12292.6 Ų92.679%0.79246%0.461SS*.SBendtrans-73.3-12.9177.630.2-34.9000113.2P593P591-P593 WeakPolarHBondContact O-CD 3.18Å
592D80.9Confident80.9Confident72 Ų7292.9 Ų92.939%0.38545%0.452SS..  trans-80117.4177.8-177.71000111.6S590 Q594 E595 R596S590-D592 PolarHBondContact O-N 2.84Å; D592-Q594 PolarHBondContact O-N 3.16Å; D592-Q594 VanDerWaalsContact O-N 3.16Å; D592-Q594 WeakPolarHBondContact OD1-CB 3.25Å; D592-Q594 PolarHBondContact OD1-N 3.45Å; D592-E595 HydrophobicContact CB-CB 4.33Å; D592-E595 HydrophobicContact CB-CG 4.17Å; D592-E595 PolarHBondContact O-N 3.4Å; D592-E595 VanDerWaalsContact O-N 3.15Å; D592-R596 PolarHBondContact O-N 2.91Å
593P74.1Confident80.8Confident90 Ų9094.6 Ų94.658%0.58445%0.45SS*.Hα-helixtrans-58.9-24.4174.8-22.334.2000114P591 R597P591-P593 WeakPolarHBondContact O-CD 3.18Å; P593-R597 WeakPolarHBondContact O-CG 3.28Å; P593-R597 PolarHBondContact O-N 2.67Å
594Q76.8Confident80.8Confident139 Ų13995.8 Ų95.865%0.6545%0.45SS*.Hα-helixtrans-81.9-20.8-179.6-166.6160.3-20.100112.8D592D592-Q594 PolarHBondContact O-N 3.16Å; D592-Q594 VanDerWaalsContact O-N 3.16Å; D592-Q594 WeakPolarHBondContact OD1-CB 3.25Å; D592-Q594 PolarHBondContact OD1-N 3.45Å
595E74.8Confident80.8Confident72 Ų7298.4 Ų98.434%0.33646%0.464SS..Hα-helixtrans-80.1-39.1167.3-69-156.8133.500112.4S590 D592 R597 K598S590-E595 WeakPolarHBondContact CB-OE2 3.29Å; S590-E595 PolarHBondContact OG-OE2 3.46Å; D592-E595 HydrophobicContact CB-CB 4.33Å; D592-E595 HydrophobicContact CB-CG 4.17Å; D592-E595 PolarHBondContact O-N 3.4Å; D592-E595 VanDerWaalsContact O-N 3.15Å; E595-R597 PolarHBondContact O-N 3.4Å; E595-K598 WeakPolarHBondContact O-CA 3.5Å; E595-K598 VanDerWaalsContact O-CB 3.3Å; E595-K598 WeakPolarHBondContact O-CB 3.3Å; E595-K598 PolarHBondContact O-N 2.88Å
596R75.4Confident81Confident100 Ų10098.8 Ų98.838%0.37746%0.462SS..Hα-helixtrans-57.7-38.1175.2-67.8-175.2-174.7-168.9-2.1112.5A587 Y588 V589 S590 D592 K598 T599A587-R596 WeakPolarHBondContact O-CG 3.24Å; Y588-R596 PolarHBondContact O-NE 2.99Å; V589-R596 PolarHBondContact O-NH2 2.84Å; S590-R596 VanDerWaalsContact O-CZ 3.24Å; S590-R596 PolarHBondContact O-NE 3.4Å; S590-R596 PolarHBondContact O-NH2 3.46Å; D592-R596 PolarHBondContact O-N 2.91Å; R596-K598 PolarHBondContact O-N 3.43Å; R596-K598 VanDerWaalsContact O-N 3.14Å; R596-T599 VanDerWaalsContact O-CB 3.28Å; R596-T599 WeakPolarHBondContact O-CB 3.42Å; R596-T599 VanDerWaalsContact O-CG2 3.26Å; R596-T599 WeakPolarHBondContact O-CG2 3.36Å; R596-T599 PolarHBondContact O-N 3.49Å; R596-T599 PolarHBondContact O-OG1 2.92Å
597R76.3Confident81.2Confident179 Ų17994.6 Ų94.668%0.67545%0.448SS*.THydrogen-bonded Turntrans-62.4-16.3172.8-74.1176-179-175.22.7115.3P593 E595 E602P593-R597 WeakPolarHBondContact O-CG 3.28Å; P593-R597 PolarHBondContact O-N 2.67Å; E595-R597 PolarHBondContact O-N 3.4Å; R597-E602 VanDerWaalsContact CA-OE2 3.25Å; R597-E602 WeakPolarHBondContact CA-OE2 3.47Å; R597-E602 WeakPolarHBondContact CG-OE2 3.5Å; R597-E602 PolarHBondContact N-OE2 2.85Å
598K78.6Confident81.4Confident127 Ų12798.2 Ų98.255%0.55246%0.464SS*.THydrogen-bonded Turntrans-85-14.4173.1-59173-172166.50112.3E595 R596 I600 Q603E595-K598 WeakPolarHBondContact O-CA 3.5Å; E595-K598 VanDerWaalsContact O-CB 3.3Å; E595-K598 WeakPolarHBondContact O-CB 3.3Å; E595-K598 PolarHBondContact O-N 2.88Å; R596-K598 PolarHBondContact O-N 3.43Å; R596-K598 VanDerWaalsContact O-N 3.14Å; K598-I600 PolarHBondContact O-N 3.41Å; K598-Q603 PolarHBondContact O-NE2 2.95Å
599T83.1Confident81.9Confident1 Ų195.3 Ų95.31%0.00646%0.464CS..SBendtrans-57.4139.1178.161.40000111E584 A587 R596 R601 E602 Q603E584-T599 WeakPolarHBondContact OE1-CB 3.48Å; E584-T599 VanDerWaalsContact OE2-CA 3.29Å; E584-T599 WeakPolarHBondContact OE2-CA 3.33Å; A587-T599 HydrophobicContact CB-CG2 3.89Å; R596-T599 VanDerWaalsContact O-CB 3.28Å; R596-T599 WeakPolarHBondContact O-CB 3.42Å; R596-T599 VanDerWaalsContact O-CG2 3.26Å; R596-T599 WeakPolarHBondContact O-CG2 3.36Å; R596-T599 PolarHBondContact O-N 3.49Å; R596-T599 PolarHBondContact O-OG1 2.92Å; T599-R601 PolarHBondContact O-N 3.47Å; T599-E602 PolarHBondContact O-N 3.11Å; T599-E602 VanDerWaalsContact O-N 3.1Å; T599-E602 WeakPolarHBondContact OG1-CG 3.39Å; T599-E602 PolarHBondContact OG1-N 2.97Å; T599-Q603 WeakPolarHBondContact O-CG 3.44Å; T599-Q603 PolarHBondContact O-N 2.75Å
600I81.6Confident82.2Confident64 Ų6495.2 Ų95.233%0.32846%0.456SS..Hα-helixtrans-55-36.6177.5-66.3168000110E584 K598 Q603 Y604E584-I600 VanDerWaalsContact CD-N 3.27Å; E584-I600 WeakPolarHBondContact OE1-CB 3.14Å; E584-I600 PolarHBondContact OE1-N 3.49Å; E584-I600 PolarHBondContact OE2-N 3.02Å; K598-I600 PolarHBondContact O-N 3.41Å; I600-Q603 PolarHBondContact O-N 2.85Å; I600-Y604 HydrophobicContact CG2-CD2 3.52Å; I600-Y604 HydrophobicContact CG2-CE2 3.41Å; I600-Y604 VanDerWaalsContact CG2-CE2 3.41Å; I600-Y604 VanDerWaalsContact O-CD2 3.26Å; I600-Y604 WeakPolarHBondContact O-CD2 3.43Å; I600-Y604 PolarHBondContact O-N 2.91Å
601R83.1Confident82.5Confident145 Ų145100.5 Ų100.555%0.54748%0.48SS..Hα-helixtrans-59.2-50.9174.3-173.9-178.2177.6-179.60.3113.3E584 T599 Y604 M605E584-R601 PolarHBondContact OE1-N 3.4Å; T599-R601 PolarHBondContact O-N 3.47Å; R601-Y604 PolarHBondContact O-N 3.42Å; R601-M605 HydrophobicContact CG-CE 4.31Å; R601-M605 WeakPolarHBondContact O-CG 3.34Å; R601-M605 PolarHBondContact O-N 2.88Å
602E82.9Confident83.4Confident66 Ų66100.2 Ų100.231%0.30847%0.468SS..Hα-helixtrans-68.5-36.2-179.8-74.2-171.3-15400111.8R597 T599 M605 K606R597-E602 VanDerWaalsContact CA-OE2 3.25Å; R597-E602 WeakPolarHBondContact CA-OE2 3.47Å; R597-E602 WeakPolarHBondContact CG-OE2 3.5Å; R597-E602 PolarHBondContact N-OE2 2.85Å; T599-E602 PolarHBondContact O-N 3.11Å; T599-E602 VanDerWaalsContact O-N 3.1Å; T599-E602 WeakPolarHBondContact OG1-CG 3.39Å; T599-E602 PolarHBondContact OG1-N 2.97Å; E602-M605 HydrophobicContact CG-CE 4.2Å; E602-M605 PolarHBondContact O-N 3.41Å; E602-K606 WeakPolarHBondContact O-CB 3.49Å; E602-K606 PolarHBondContact O-N 3.08Å
603Q85Confident83.8Confident96 Ų9699.2 Ų99.245%0.44947%0.466SS..Hα-helixtrans-60-47172.8-66.8-175.529.500112.1K598 T599 I600 K606 N607K598-Q603 PolarHBondContact O-NE2 2.95Å; T599-Q603 WeakPolarHBondContact O-CG 3.44Å; T599-Q603 PolarHBondContact O-N 2.75Å; I600-Q603 PolarHBondContact O-N 2.85Å; Q603-K606 WeakPolarHBondContact O-CB 3.41Å; Q603-K606 PolarHBondContact O-N 3.38Å; Q603-N607 VanDerWaalsContact O-CG 3.22Å; Q603-N607 PolarHBondContact O-N 3.28Å; Q603-N607 PolarHBondContact O-OD1 3.16Å
604Y85.8Confident84.7Confident152 Ų15298.6 Ų98.660%0.59646%0.458SS*.Hα-helixtrans-66.4-39.7177.2-83-61.8000112.7I600 R601 K606 N607 I608I600-Y604 HydrophobicContact CG2-CD2 3.52Å; I600-Y604 HydrophobicContact CG2-CE2 3.41Å; I600-Y604 VanDerWaalsContact CG2-CE2 3.41Å; I600-Y604 VanDerWaalsContact O-CD2 3.26Å; I600-Y604 WeakPolarHBondContact O-CD2 3.43Å; I600-Y604 PolarHBondContact O-N 2.91Å; R601-Y604 PolarHBondContact O-N 3.42Å; Y604-K606 VanDerWaalsContact C-N 3.3Å; Y604-K606 PolarHBondContact O-N 2.95Å; Y604-N607 PolarHBondContact O-N 3.06Å; Y604-I608 WeakPolarHBondContact O-CB 3.4Å; Y604-I608 VanDerWaalsContact O-CG1 3.25Å; Y604-I608 WeakPolarHBondContact O-CG1 3.21Å; Y604-I608 PolarHBondContact O-N 2.87Å
605M87.3Confident85.2Confident103 Ų10393.3 Ų93.351%0.50744%0.44SS..Hα-helixtrans-62.1-38.7174.9-71.2-167.1-58.200112R601 E602 I608 A609R601-M605 HydrophobicContact CG-CE 4.31Å; R601-M605 WeakPolarHBondContact O-CG 3.34Å; R601-M605 PolarHBondContact O-N 2.88Å; E602-M605 HydrophobicContact CG-CE 4.2Å; E602-M605 PolarHBondContact O-N 3.41Å; M605-I608 PolarHBondContact O-N 3.17Å; M605-A609 PolarHBondContact O-N 3.08Å
606K88.6Confident86Confident131 Ų13196.8 Ų96.857%0.5745%0.454SS*.Hα-helixtrans-62-49.4172.3-176.7-173167.4-162.90111.5E602 Q603 Y604 I608 A609 E610E602-K606 WeakPolarHBondContact O-CB 3.49Å; E602-K606 PolarHBondContact O-N 3.08Å; Q603-K606 WeakPolarHBondContact O-CB 3.41Å; Q603-K606 PolarHBondContact O-N 3.38Å; Y604-K606 VanDerWaalsContact C-N 3.3Å; Y604-K606 PolarHBondContact O-N 2.95Å; K606-I608 VanDerWaalsContact C-N 3.31Å; K606-I608 PolarHBondContact O-N 3Å; K606-A609 PolarHBondContact O-N 3.11Å; K606-E610 WeakPolarHBondContact CE-OE1 3.45Å; K606-E610 IonicContact NZ-OE1 2.64Å; K606-E610 WeakPolarHBondContact O-CG 3.43Å; K606-E610 PolarHBondContact O-N 3.48Å
607N88.5Confident86.7Confident76 Ų7698 Ų9841%0.40646%0.462SS..Hα-helixtrans-62-37.3179.9-67.4-8.8000112.1Q603 Y604 E610 Q611Q603-N607 VanDerWaalsContact O-CG 3.22Å; Q603-N607 PolarHBondContact O-N 3.28Å; Q603-N607 PolarHBondContact O-OD1 3.16Å; Y604-N607 PolarHBondContact O-N 3.06Å; N607-E610 PolarHBondContact O-N 2.92Å; N607-Q611 WeakPolarHBondContact O-CB 3.46Å; N607-Q611 VanDerWaalsContact O-CG 3.31Å; N607-Q611 WeakPolarHBondContact O-CG 3.39Å; N607-Q611 PolarHBondContact O-N 2.97Å
608I89.1Confident87.3Confident96 Ų9693.8 Ų93.849%0.49245%0.453SS..Hα-helixtrans-62.1-49.4173.5-70.3163.2000110.3Y604 M605 K606 E610 Q611 E612Y604-I608 WeakPolarHBondContact O-CB 3.4Å; Y604-I608 VanDerWaalsContact O-CG1 3.25Å; Y604-I608 WeakPolarHBondContact O-CG1 3.21Å; Y604-I608 PolarHBondContact O-N 2.87Å; M605-I608 PolarHBondContact O-N 3.17Å; K606-I608 VanDerWaalsContact C-N 3.31Å; K606-I608 PolarHBondContact O-N 3Å; I608-E610 VanDerWaalsContact C-N 3.31Å; I608-E610 PolarHBondContact O-N 2.95Å; I608-Q611 PolarHBondContact O-N 2.95Å; I608-E612 HydrophobicContact CG2-CG 4.48Å; I608-E612 WeakPolarHBondContact O-CG 3.48Å; I608-E612 PolarHBondContact O-N 2.91Å
609A90.1Very high87.9Confident56 Ų5696.6 Ų96.646%0.46346%0.46SS..Hα-helixtrans-61.4-38.1178.200000112.6M605 K606 S613M605-A609 PolarHBondContact O-N 3.08Å; K606-A609 PolarHBondContact O-N 3.11Å; A609-S613 WeakPolarHBondContact O-CB 3.29Å; A609-S613 PolarHBondContact O-N 3.23Å
610E90.8Very high88.2Confident96 Ų96103 Ų10345%0.44949%0.49SS..Hα-helixtrans-63.1-46.7173.3-73.7-178.6178.100111.6K606 N607 I608 S613 L614K606-E610 WeakPolarHBondContact CE-OE1 3.45Å; K606-E610 IonicContact NZ-OE1 2.64Å; K606-E610 WeakPolarHBondContact O-CG 3.43Å; K606-E610 PolarHBondContact O-N 3.48Å; N607-E610 PolarHBondContact O-N 2.92Å; I608-E610 VanDerWaalsContact C-N 3.31Å; I608-E610 PolarHBondContact O-N 2.95Å; E610-S613 WeakPolarHBondContact O-CB 3.28Å; E610-S613 PolarHBondContact O-N 3.23Å; E610-S613 PolarHBondContact O-OG 3.37Å; E610-L614 PolarHBondContact O-N 3.3Å
611Q87.6Confident88.5Confident128 Ų128105.5 Ų105.560%0.59850%0.5SS*.Hα-helixtrans-65.5-37.7177.2-71.5-63.8-21.400112.9N607 I608 S613 L614 G615N607-Q611 WeakPolarHBondContact O-CB 3.46Å; N607-Q611 VanDerWaalsContact O-CG 3.31Å; N607-Q611 WeakPolarHBondContact O-CG 3.39Å; N607-Q611 PolarHBondContact O-N 2.97Å; I608-Q611 PolarHBondContact O-N 2.95Å; Q611-S613 VanDerWaalsContact C-N 3.33Å; Q611-S613 PolarHBondContact O-N 3.37Å; Q611-L614 PolarHBondContact O-N 3.43Å; Q611-G615 PolarHBondContact O-N 2.86Å
612E90.6Very high88.7Confident116 Ų116105.2 Ų105.254%0.54251%0.505SS..Hα-helixtrans-62.5-40.2171-74.4-174.5-177.400111.9I608 G615 K616I608-E612 HydrophobicContact CG2-CG 4.48Å; I608-E612 WeakPolarHBondContact O-CG 3.48Å; I608-E612 PolarHBondContact O-N 2.91Å; E612-G615 PolarHBondContact O-N 3.17Å; E612-K616 WeakPolarHBondContact O-CG 3.4Å; E612-K616 PolarHBondContact O-N 2.83Å
613S91Very high89.1Confident51 Ų51108 Ų10836%0.35752%0.516SS..Hα-helixtrans-65.3-39.3176.287.30000111.9A609 E610 Q611 K616 K617A609-S613 WeakPolarHBondContact O-CB 3.29Å; A609-S613 PolarHBondContact O-N 3.23Å; E610-S613 WeakPolarHBondContact O-CB 3.28Å; E610-S613 PolarHBondContact O-N 3.23Å; E610-S613 PolarHBondContact O-OG 3.37Å; Q611-S613 VanDerWaalsContact C-N 3.33Å; Q611-S613 PolarHBondContact O-N 3.37Å; S613-K616 PolarHBondContact O-N 2.99Å; S613-K617 WeakPolarHBondContact O-CG 3.46Å; S613-K617 PolarHBondContact O-N 2.8Å; S613-K617 VanDerWaalsContact O-N 3.1Å
614L91.2Very high89.3Confident77 Ų77107 Ų10740%0.40352%0.516SS..Hα-helixtrans-67.3-43.4175.3-176.362.9000110.8E610 Q611 K616 K617 L618E610-L614 PolarHBondContact O-N 3.3Å; Q611-L614 PolarHBondContact O-N 3.43Å; L614-K616 VanDerWaalsContact C-N 3.3Å; L614-K616 PolarHBondContact O-N 3.45Å; L614-K617 PolarHBondContact O-N 2.99Å; L614-K617 VanDerWaalsContact O-N 3.17Å; L614-L618 HydrophobicContact CD1-CD1 4.43Å; L614-L618 HydrophobicContact CD1-CG 4.36Å; L614-L618 HydrophobicContact CG-CD1 4.02Å; L614-L618 HydrophobicContact CG-CG 4.38Å; L614-L618 WeakPolarHBondContact O-CB 3.43Å; L614-L618 WeakPolarHBondContact O-CG 3.42Å; L614-L618 PolarHBondContact O-N 3.47Å
615G88.2Confident89.2Confident27 Ų27104 Ų10428%0.27851%0.514SS..Hα-helixtrans-59.2-38.1174.600000113Q611 E612 R619Q611-G615 PolarHBondContact O-N 2.86Å; E612-G615 PolarHBondContact O-N 3.17Å; G615-R619 VanDerWaalsContact O-CG 3.29Å; G615-R619 WeakPolarHBondContact O-CG 3.46Å; G615-R619 PolarHBondContact O-N 3.44Å; G615-R619 VanDerWaalsContact O-N 3.12Å
616K91.3Very high89.2Confident145 Ų145109.3 Ų109.363%0.6353%0.528SS*.Hα-helixtrans-63.1-50.4171.8-72.5169.4-174.5170.70111.3E612 S613 L614 L618 R619 E620E612-K616 WeakPolarHBondContact O-CG 3.4Å; E612-K616 PolarHBondContact O-N 2.83Å; S613-K616 PolarHBondContact O-N 2.99Å; L614-K616 VanDerWaalsContact C-N 3.3Å; L614-K616 PolarHBondContact O-N 3.45Å; K616-L618 PolarHBondContact O-N 3.16Å; K616-R619 PolarHBondContact O-N 3.06Å; K616-E620 PolarHBondContact O-N 3.03Å; K616-E620 VanDerWaalsContact O-N 3.09Å
617K91Very high89.1Confident125 Ų125108.8 Ų108.854%0.54353%0.528SS..Hα-helixtrans-58.8-42.6177.5-70.1172.4-178176.20112.8S613 L614 E620 Q621S613-K617 WeakPolarHBondContact O-CG 3.46Å; S613-K617 PolarHBondContact O-N 2.8Å; S613-K617 VanDerWaalsContact O-N 3.1Å; L614-K617 PolarHBondContact O-N 2.99Å; L614-K617 VanDerWaalsContact O-N 3.17Å; K617-E620 WeakPolarHBondContact O-CB 3.39Å; K617-E620 PolarHBondContact O-N 3.19Å; K617-Q621 WeakPolarHBondContact O-CG 3.37Å; K617-Q621 PolarHBondContact O-N 3.45Å
618L88.1Confident89Confident92 Ų92107.2 Ų107.248%0.48252%0.523SS..Hα-helixtrans-67.6-36.4179.3-71.7173.1000112.4L614 K616 E620 Q621 Q622L614-L618 HydrophobicContact CD1-CD1 4.43Å; L614-L618 HydrophobicContact CD1-CG 4.36Å; L614-L618 HydrophobicContact CG-CD1 4.02Å; L614-L618 HydrophobicContact CG-CG 4.38Å; L614-L618 WeakPolarHBondContact O-CB 3.43Å; L614-L618 WeakPolarHBondContact O-CG 3.42Å; L614-L618 PolarHBondContact O-N 3.47Å; K616-L618 PolarHBondContact O-N 3.16Å; L618-E620 VanDerWaalsContact C-N 3.32Å; L618-Q621 PolarHBondContact O-N 2.76Å; L618-Q622 WeakPolarHBondContact O-CB 3.25Å; L618-Q622 PolarHBondContact O-N 2.93Å
619R90.6Very high88.7Confident185 Ų185108 Ų10870%0.69852%0.524SS*.Hα-helixtrans-65.1-37171.9-71.1174.7-162-166.56.5112G615 K616 Q622 K623G615-R619 VanDerWaalsContact O-CG 3.29Å; G615-R619 WeakPolarHBondContact O-CG 3.46Å; G615-R619 PolarHBondContact O-N 3.44Å; G615-R619 VanDerWaalsContact O-N 3.12Å; K616-R619 PolarHBondContact O-N 3.06Å; R619-Q622 PolarHBondContact O-N 3.16Å; R619-K623 WeakPolarHBondContact O-CB 3.43Å; R619-K623 PolarHBondContact O-N 2.89Å
620E89.9Confident88.6Confident136 Ų136107.1 Ų107.164%0.63652%0.521SS*.Hα-helixtrans-68-43.4176.3-168.7162.2-146.600111.6K616 K617 L618 Q622 K623 T624K616-E620 PolarHBondContact O-N 3.03Å; K616-E620 VanDerWaalsContact O-N 3.09Å; K617-E620 WeakPolarHBondContact O-CB 3.39Å; K617-E620 PolarHBondContact O-N 3.19Å; L618-E620 VanDerWaalsContact C-N 3.32Å; E620-Q622 PolarHBondContact O-N 3.25Å; E620-K623 WeakPolarHBondContact O-CB 3.28Å; E620-K623 PolarHBondContact O-N 2.72Å; E620-T624 PolarHBondContact O-N 3.5Å
621Q88.4Confident88.3Confident116 Ų116106.2 Ų106.254%0.54252%0.523SS..Hα-helixtrans-61.8-40.3170.3-70.9178-4.300112.6K617 L618 K623 T624 V625K617-Q621 WeakPolarHBondContact O-CG 3.37Å; K617-Q621 PolarHBondContact O-N 3.45Å; L618-Q621 PolarHBondContact O-N 2.76Å; Q621-K623 VanDerWaalsContact C-N 3.29Å; Q621-K623 PolarHBondContact O-N 2.86Å; Q621-T624 PolarHBondContact O-N 3.01Å; Q621-T624 PolarHBondContact O-OG1 2.91Å; Q621-V625 WeakPolarHBondContact O-CB 3.43Å; Q621-V625 VanDerWaalsContact O-CG2 3.3Å; Q621-V625 WeakPolarHBondContact O-CG2 3.43Å; Q621-V625 PolarHBondContact O-N 3.32Å
622Q87.9Confident88.2Confident139 Ų139103.7 Ų103.765%0.6551%0.514SS*.Hα-helixtrans-62.4-38.7175-171.4-175.933.400111.4L618 R619 E620 R626L618-Q622 WeakPolarHBondContact O-CB 3.25Å; L618-Q622 PolarHBondContact O-N 2.93Å; R619-Q622 PolarHBondContact O-N 3.16Å; E620-Q622 PolarHBondContact O-N 3.25Å; Q622-R626 VanDerWaalsContact O-CB 3.31Å; Q622-R626 WeakPolarHBondContact O-CB 3.27Å; Q622-R626 PolarHBondContact O-N 3.04Å
623K90.5Very high87.9Confident125 Ų125102.7 Ų102.754%0.54351%0.51SS..Hα-helixtrans-63.7-49.8175.3-178.1-177.5169.1-172.90111.4R619 E620 Q621 V625 R626 E627R619-K623 WeakPolarHBondContact O-CB 3.43Å; R619-K623 PolarHBondContact O-N 2.89Å; E620-K623 WeakPolarHBondContact O-CB 3.28Å; E620-K623 PolarHBondContact O-N 2.72Å; Q621-K623 VanDerWaalsContact C-N 3.29Å; Q621-K623 PolarHBondContact O-N 2.86Å; K623-V625 VanDerWaalsContact C-N 3.34Å; K623-V625 PolarHBondContact O-N 3.49Å; K623-R626 PolarHBondContact O-N 3.1Å; K623-R626 VanDerWaalsContact O-N 3.14Å; K623-E627 WeakPolarHBondContact CE-OE1 3.48Å; K623-E627 IonicContact NZ-OE1 3.5Å; K623-E627 WeakPolarHBondContact O-CG 3.25Å; K623-E627 PolarHBondContact O-N 2.94Å
624T88.1Confident87.6Confident75 Ų75107.5 Ų107.546%0.4653%0.525SS..Hα-helixtrans-64.9-36.2179.358.20000112.6E620 Q621 S628E620-T624 PolarHBondContact O-N 3.5Å; Q621-T624 PolarHBondContact O-N 3.01Å; Q621-T624 PolarHBondContact O-OG1 2.91Å; T624-S628 WeakPolarHBondContact O-CB 3.3Å; T624-S628 PolarHBondContact O-N 3.37Å; T624-S628 PolarHBondContact O-OG 3.08Å
625V85.1Confident87.3Confident89 Ų89109 Ų10954%0.53953%0.529SS..Hα-helixtrans-64.1-43.2171.8170.40000111.1Q621 K623 E627 S628 H629Q621-V625 WeakPolarHBondContact O-CB 3.43Å; Q621-V625 VanDerWaalsContact O-CG2 3.3Å; Q621-V625 WeakPolarHBondContact O-CG2 3.43Å; Q621-V625 PolarHBondContact O-N 3.32Å; K623-V625 VanDerWaalsContact C-N 3.34Å; K623-V625 PolarHBondContact O-N 3.49Å; V625-E627 PolarHBondContact O-N 3.26Å; V625-S628 WeakPolarHBondContact CA-OG 3.28Å; V625-S628 PolarHBondContact O-N 2.98Å; V625-S628 PolarHBondContact O-OG 2.88Å; V625-H629 VanDerWaalsContact O-CB 3.3Å; V625-H629 WeakPolarHBondContact O-CB 3.31Å; V625-H629 PolarHBondContact O-N 2.91Å
626R86.3Confident87.1Confident215 Ų215110.7 Ų110.781%0.81153%0.534SS*.Hα-helixtrans-65.6-38.9178.7-167.6177.8-172.2-176.32.4112.4Q622 K623Q622-R626 VanDerWaalsContact O-CB 3.31Å; Q622-R626 WeakPolarHBondContact O-CB 3.27Å; Q622-R626 PolarHBondContact O-N 3.04Å; K623-R626 PolarHBondContact O-N 3.1Å; K623-R626 VanDerWaalsContact O-N 3.14Å
627E87.8Confident86.9Confident119 Ų119110.1 Ų110.156%0.55653%0.532SS*.Hα-helixtrans-70-39.7176.9-71.9170.2171.200112K623 V625 P631K623-E627 WeakPolarHBondContact CE-OE1 3.48Å; K623-E627 IonicContact NZ-OE1 3.5Å; K623-E627 WeakPolarHBondContact O-CG 3.25Å; K623-E627 PolarHBondContact O-N 2.94Å; V625-E627 PolarHBondContact O-N 3.26Å; E627-P631 VanDerWaalsContact O-CD 3.32Å; E627-P631 WeakPolarHBondContact O-CD 3.26Å
628S85.1Confident86.7Confident44 Ų44110.3 Ų110.331%0.30854%0.536SS..Hα-helixtrans-80.7-21.4178.559.40000114.6T624 V625 G630 P631 N632T624-S628 WeakPolarHBondContact O-CB 3.3Å; T624-S628 PolarHBondContact O-N 3.37Å; T624-S628 PolarHBondContact O-OG 3.08Å; V625-S628 WeakPolarHBondContact CA-OG 3.28Å; V625-S628 PolarHBondContact O-N 2.98Å; V625-S628 PolarHBondContact O-OG 2.88Å; S628-G630 VanDerWaalsContact C-N 3.31Å; S628-G630 PolarHBondContact O-N 3.45Å; S628-P631 VanDerWaalsContact O-CD 3.31Å; S628-P631 WeakPolarHBondContact O-CD 3.12Å; S628-N632 VanDerWaalsContact O-CB 3.27Å; S628-N632 WeakPolarHBondContact O-CB 3.2Å; S628-N632 PolarHBondContact O-N 3.49Å; S628-N632 PolarHBondContact O-ND2 3.45Å; S628-N632 PolarHBondContact O-OD1 2.87Å
629H84Confident86.7Confident111 Ų111113.6 Ų113.651%0.51454%0.543SS..Hα-helixtrans-56.6-41.2-179.8-177-65.2000113V625 M633V625-H629 VanDerWaalsContact O-CB 3.3Å; V625-H629 WeakPolarHBondContact O-CB 3.31Å; V625-H629 PolarHBondContact O-N 2.91Å; H629-M633 VanDerWaalsContact CE1-CG 3.44Å; H629-M633 WeakPolarHBondContact CE1-CG 3.49Å; H629-M633 WeakPolarHBondContact O-CB 3.2Å; H629-M633 PolarHBondContact O-N 3.38Å
630G86.6Confident86.5Confident38 Ų38112.6 Ų112.639%0.39254%0.539SS..Hα-helixtrans-61.7-57.5178.900000112.9S628 N632 M633 K634S628-G630 VanDerWaalsContact C-N 3.31Å; S628-G630 PolarHBondContact O-N 3.45Å; G630-N632 PolarHBondContact O-N 3.35Å; G630-M633 PolarHBondContact O-N 3.11Å; G630-K634 PolarHBondContact O-N 3.39Å
631P84.8Confident86.4Confident77 Ų77109.6 Ų109.650%0.553%0.527SS..Hα-helixtrans-52.8-48.6171.1-28.534.9000113.5E627 S628 M633 K634 Q635E627-P631 VanDerWaalsContact O-CD 3.32Å; E627-P631 WeakPolarHBondContact O-CD 3.26Å; S628-P631 VanDerWaalsContact O-CD 3.31Å; S628-P631 WeakPolarHBondContact O-CD 3.12Å; P631-M633 PolarHBondContact O-N 3.16Å; P631-K634 WeakPolarHBondContact O-CB 3.4Å; P631-K634 PolarHBondContact O-N 2.73Å; P631-K634 VanDerWaalsContact O-N 3.14Å; P631-Q635 PolarHBondContact O-N 3.24Å
632N84.8Confident86.3Confident75 Ų75108.2 Ų108.240%0.40152%0.523SS..Hα-helixtrans-64-39.8-177-67.7-5.5000111.8S628 G630 Q635 V636S628-N632 VanDerWaalsContact O-CB 3.27Å; S628-N632 WeakPolarHBondContact O-CB 3.2Å; S628-N632 PolarHBondContact O-N 3.49Å; S628-N632 PolarHBondContact O-ND2 3.45Å; S628-N632 PolarHBondContact O-OD1 2.87Å; G630-N632 PolarHBondContact O-N 3.35Å; N632-Q635 PolarHBondContact O-N 2.93Å; N632-V636 WeakPolarHBondContact O-CG2 3.43Å; N632-V636 PolarHBondContact O-N 3.39Å
633M85.2Confident86.1Confident96 Ų96107.9 Ų107.947%0.47352%0.521SS..Hα-helixtrans-67.1-34.7174.5-81.9-60.6110.700113.3H629 G630 P631 Q635 V636 K637H629-M633 VanDerWaalsContact CE1-CG 3.44Å; H629-M633 WeakPolarHBondContact CE1-CG 3.49Å; H629-M633 WeakPolarHBondContact O-CB 3.2Å; H629-M633 PolarHBondContact O-N 3.38Å; G630-M633 PolarHBondContact O-N 3.11Å; P631-M633 PolarHBondContact O-N 3.16Å; M633-Q635 VanDerWaalsContact C-N 3.34Å; M633-V636 HydrophobicContact CE-CB 4.31Å; M633-V636 HydrophobicContact CE-CG1 4.49Å; M633-V636 HydrophobicContact CE-CG2 4.13Å; M633-K637 WeakPolarHBondContact O-CB 3.47Å; M633-K637 PolarHBondContact O-N 3.39Å
634K85.1Confident85.8Confident151 Ų151108 Ų10866%0.65752%0.524SS*.Hα-helixtrans-62.9-43.7171.4-70.9-179.6179.6-177.80110.8G630 P631 K637 M638G630-K634 PolarHBondContact O-N 3.39Å; P631-K634 WeakPolarHBondContact O-CB 3.4Å; P631-K634 PolarHBondContact O-N 2.73Å; P631-K634 VanDerWaalsContact O-N 3.14Å; K634-K637 PolarHBondContact O-N 2.98Å; K634-M638 WeakPolarHBondContact O-CG 3.41Å; K634-M638 PolarHBondContact O-N 2.89Å
635Q83.6Confident85.7Confident108 Ų108110.2 Ų110.251%0.50553%0.532SS..Hα-helixtrans-64.1-44.9177.4-164.4-178.814.700111.9P631 N632 M633 K637 M638 W639P631-Q635 PolarHBondContact O-N 3.24Å; N632-Q635 PolarHBondContact O-N 2.93Å; M633-Q635 VanDerWaalsContact C-N 3.34Å; Q635-K637 VanDerWaalsContact C-N 3.3Å; Q635-K637 PolarHBondContact O-N 3.5Å; Q635-M638 PolarHBondContact O-N 3.05Å; Q635-W639 PolarHBondContact O-N 3.24Å
636V84.8Confident85.7Confident63 Ų63111.5 Ų111.538%0.38253%0.534SS..Hα-helixtrans-60.5-38.7174.4168.40000111.6N632 M633 W639 R640N632-V636 WeakPolarHBondContact O-CG2 3.43Å; N632-V636 PolarHBondContact O-N 3.39Å; M633-V636 HydrophobicContact CE-CB 4.31Å; M633-V636 HydrophobicContact CE-CG1 4.49Å; M633-V636 HydrophobicContact CE-CG2 4.13Å; V636-W639 PolarHBondContact O-N 3Å; V636-R640 PolarHBondContact O-N 2.99Å
637K88.1Confident85.6Confident133 Ų133104.3 Ų104.358%0.57851%0.509SS*.Hα-helixtrans-64.4-47.5174-170.4-178.6174.7-176.10111.4M633 K634 Q635 W639 R640 D641M633-K637 WeakPolarHBondContact O-CB 3.47Å; M633-K637 PolarHBondContact O-N 3.39Å; K634-K637 PolarHBondContact O-N 2.98Å; Q635-K637 VanDerWaalsContact C-N 3.3Å; Q635-K637 PolarHBondContact O-N 3.5Å; K637-W639 VanDerWaalsContact C-N 3.26Å; K637-W639 PolarHBondContact O-N 3.36Å; K637-R640 PolarHBondContact O-N 3.22Å; K637-R640 VanDerWaalsContact O-N 3.08Å; K637-D641 PolarHBondContact O-N 3.01Å
638M86Confident85.4Confident129 Ų129102.1 Ų102.164%0.63551%0.507SS*.Hα-helixtrans-57-38.7176.1-68.2168.7-176.100112.3K634 Q635 L642K634-M638 WeakPolarHBondContact O-CG 3.41Å; K634-M638 PolarHBondContact O-N 2.89Å; Q635-M638 PolarHBondContact O-N 3.05Å; M638-L642 WeakPolarHBondContact O-CB 3.32Å; M638-L642 PolarHBondContact O-N 2.97Å
639W87.3Confident85.2Confident162 Ų162107 Ų10761%0.61452%0.522SS*.Hα-helixtrans-66-41.1174.4-77.7118000113.1Q635 V636 K637 L642 E643Q635-W639 PolarHBondContact O-N 3.24Å; V636-W639 PolarHBondContact O-N 3Å; K637-W639 VanDerWaalsContact C-N 3.26Å; K637-W639 PolarHBondContact O-N 3.36Å; W639-L642 HydrophobicContact CE3-CD2 3.78Å; W639-L642 HydrophobicContact CZ3-CD2 3.69Å; W639-L642 WeakPolarHBondContact O-CB 3.36Å; W639-L642 PolarHBondContact O-N 2.97Å; W639-E643 WeakPolarHBondContact O-CB 3.36Å; W639-E643 PolarHBondContact O-N 3.39Å
640R86.6Confident85.1Confident163 Ų163108.2 Ų108.262%0.61552%0.522SS*.Hα-helixtrans-66.8-40.5173.8-78.5-176.1175.2173.7-0.2112.9V636 K637 L642 E643 Q644V636-R640 PolarHBondContact O-N 2.99Å; K637-R640 PolarHBondContact O-N 3.22Å; K637-R640 VanDerWaalsContact O-N 3.08Å; R640-L642 VanDerWaalsContact C-N 3.28Å; R640-L642 PolarHBondContact O-N 3.23Å; R640-E643 PolarHBondContact O-N 3.23Å; R640-Q644 WeakPolarHBondContact O-CG 3.49Å; R640-Q644 PolarHBondContact O-N 3.49Å
641D87.8Confident84.9Confident73 Ų73110.7 Ų110.739%0.3952%0.524SS..Hα-helixtrans-63.7-38.4177.6-63.5-14.6000109.7K637 L645K637-D641 PolarHBondContact O-N 3.01Å; D641-L645 WeakPolarHBondContact O-CB 3.41Å; D641-L645 PolarHBondContact O-N 3.23Å; D641-L645 VanDerWaalsContact O-N 3.11Å
642L86.2Confident84.6Confident87 Ų87111.4 Ų111.446%0.45553%0.529SS..Hα-helixtrans-64.4-45.2171.5-173.378.5000112.5M638 W639 R640 L645 M646M638-L642 WeakPolarHBondContact O-CB 3.32Å; M638-L642 PolarHBondContact O-N 2.97Å; W639-L642 HydrophobicContact CE3-CD2 3.78Å; W639-L642 HydrophobicContact CZ3-CD2 3.69Å; W639-L642 WeakPolarHBondContact O-CB 3.36Å; W639-L642 PolarHBondContact O-N 2.97Å; R640-L642 VanDerWaalsContact C-N 3.28Å; R640-L642 PolarHBondContact O-N 3.23Å; L642-L645 PolarHBondContact O-N 3.04Å; L642-M646 WeakPolarHBondContact O-CG 3.47Å; L642-M646 PolarHBondContact O-N 2.87Å
643E85.5Confident84.1Confident133 Ų133114.5 Ų114.562%0.62154%0.539SS*.Hα-helixtrans-60.1-45.6178.2-176.3178.4-153.500111.5W639 R640 L645 M646 E647W639-E643 WeakPolarHBondContact O-CB 3.36Å; W639-E643 PolarHBondContact O-N 3.39Å; R640-E643 PolarHBondContact O-N 3.23Å; E643-L645 VanDerWaalsContact C-N 3.35Å; E643-L645 PolarHBondContact O-N 3.43Å; E643-M646 PolarHBondContact O-N 3.16Å; E643-E647 WeakPolarHBondContact O-CB 3.3Å; E643-E647 PolarHBondContact O-N 2.83Å
644Q83.8Confident83.6Confident127 Ų127113.7 Ų113.759%0.59354%0.536SS*.Hα-helixtrans-60.8-41.8174-72.9-177.81.100112.2R640 M646 E647 C648R640-Q644 WeakPolarHBondContact O-CG 3.49Å; R640-Q644 PolarHBondContact O-N 3.49Å; Q644-M646 VanDerWaalsContact C-N 3.34Å; Q644-M646 PolarHBondContact O-N 3Å; Q644-E647 PolarHBondContact O-N 2.95Å; Q644-C648 PolarHBondContact O-N 2.93Å; Q644-C648 PolarHBondContact O-SG 2.95Å; Q644-C648 VanDerWaalsContact O-SG 3.42Å
645L86.1Confident83.1Confident121 Ų121115.5 Ų115.563%0.63454%0.539SS*.Hα-helixtrans-65.5-38.8179.4-154.2158.5000111.2D641 L642 E643 K649D641-L645 WeakPolarHBondContact O-CB 3.41Å; D641-L645 PolarHBondContact O-N 3.23Å; D641-L645 VanDerWaalsContact O-N 3.11Å; L642-L645 PolarHBondContact O-N 3.04Å; E643-L645 VanDerWaalsContact C-N 3.35Å; E643-L645 PolarHBondContact O-N 3.43Å; L645-K649 WeakPolarHBondContact O-CB 3.47Å; L645-K649 PolarHBondContact O-N 3.26Å
646M85.5Confident82.4Confident117 Ų117113.7 Ų113.758%0.57654%0.542SS*.Hα-helixtrans-66.2-40.7172.3-70.6-64.2-13900112.6L642 E643 Q644 K649 R650L642-M646 WeakPolarHBondContact O-CG 3.47Å; L642-M646 PolarHBondContact O-N 2.87Å; E643-M646 PolarHBondContact O-N 3.16Å; Q644-M646 VanDerWaalsContact C-N 3.34Å; Q644-M646 PolarHBondContact O-N 3Å; M646-K649 WeakPolarHBondContact O-CB 3.36Å; M646-K649 PolarHBondContact O-N 3.44Å; M646-R650 PolarHBondContact O-N 2.83Å
647E83.7Confident81.5Confident63 Ų63116.7 Ų116.729%0.29455%0.553SS.*Hα-helixtrans-67-42.2177.2178.253.7-155.100112E643 Q644 K649 R650 Q651E643-E647 WeakPolarHBondContact O-CB 3.3Å; E643-E647 PolarHBondContact O-N 2.83Å; Q644-E647 PolarHBondContact O-N 2.95Å; E647-K649 VanDerWaalsContact C-N 3.32Å; E647-K649 PolarHBondContact O-N 3.49Å; E647-R650 WeakPolarHBondContact O-CB 3.41Å; E647-R650 PolarHBondContact O-N 2.93Å; E647-R650 IonicContact OE1-CZ 2.62Å; E647-R650 IonicContact OE1-NE 3.22Å; E647-R650 PolarHBondContact OE1-NE 2.81Å; E647-R650 IonicContact OE1-NH2 3.59Å; E647-R650 PolarHBondContact OE1-NH2 3.06Å; E647-R650 IonicContact OE2-CZ 2.82Å; E647-R650 IonicContact OE2-NE 2.65Å; E647-R650 PolarHBondContact OE2-NE 3.14Å; E647-R650 IonicContact OE2-NH2 3.7Å; E647-R650 PolarHBondContact OE2-NH2 2.97Å; E647-Q651 WeakPolarHBondContact O-CG 3.27Å; E647-Q651 PolarHBondContact O-N 3.4Å; E647-Q651 PolarHBondContact OE1-NE2 3.04Å
648C82.1Confident80.1Confident74 Ų74114.5 Ų114.550%0.555%0.554SS.*Hα-helixtrans-58.4-43.7170.5-72.80000111.5Q644 R650 Q651 C652Q644-C648 PolarHBondContact O-N 2.93Å; Q644-C648 PolarHBondContact O-SG 2.95Å; Q644-C648 VanDerWaalsContact O-SG 3.42Å; C648-R650 VanDerWaalsContact C-N 3.32Å; C648-R650 PolarHBondContact O-N 2.63Å; C648-Q651 PolarHBondContact O-N 2.92Å; C648-C652 PolarHBondContact O-N 3.41Å; C648-C652 PolarHBondContact O-SG 2.91Å; C648-C652 VanDerWaalsContact O-SG 3.38Å
649K81.8Confident78.8Confident147 Ų147116.7 Ų116.764%0.63956%0.563SS**Hα-helixtrans-61.3-39.7176-167.3177.7-176.8-179.20111.9L645 M646 E647 F653L645-K649 WeakPolarHBondContact O-CB 3.47Å; L645-K649 PolarHBondContact O-N 3.26Å; M646-K649 WeakPolarHBondContact O-CB 3.36Å; M646-K649 PolarHBondContact O-N 3.44Å; E647-K649 VanDerWaalsContact C-N 3.32Å; E647-K649 PolarHBondContact O-N 3.49Å; K649-F653 PolarHBondContact O-N 2.95Å; K649-F653 VanDerWaalsContact O-N 3.09Å
650R82.8Confident77.3Confident136 Ų136113.2 Ų113.251%0.51357%0.568SS.*Hα-helixtrans-62.7-44.6174-167.7-17673.195.82.7111.8M646 E647 C648 F653 L654M646-R650 PolarHBondContact O-N 2.83Å; E647-R650 WeakPolarHBondContact O-CB 3.41Å; E647-R650 PolarHBondContact O-N 2.93Å; E647-R650 IonicContact OE1-CZ 2.62Å; E647-R650 IonicContact OE1-NE 3.22Å; E647-R650 PolarHBondContact OE1-NE 2.81Å; E647-R650 IonicContact OE1-NH2 3.59Å; E647-R650 PolarHBondContact OE1-NH2 3.06Å; E647-R650 IonicContact OE2-CZ 2.82Å; E647-R650 IonicContact OE2-NE 2.65Å; E647-R650 PolarHBondContact OE2-NE 3.14Å; E647-R650 IonicContact OE2-NH2 3.7Å; E647-R650 PolarHBondContact OE2-NH2 2.97Å; C648-R650 VanDerWaalsContact C-N 3.32Å; C648-R650 PolarHBondContact O-N 2.63Å; R650-F653 PolarHBondContact O-N 2.89Å; R650-L654 HydrophobicContact CG-CD1 4.32Å; R650-L654 WeakPolarHBondContact O-CG 3.4Å; R650-L654 PolarHBondContact O-N 3.49Å
651Q81.1Confident75.5Confident90 Ų90110.3 Ų110.342%0.42157%0.573SS.*Hα-helixtrans-67.1-39.1179-69.3177.918.400112.7E647 C648 L654 R655E647-Q651 WeakPolarHBondContact O-CG 3.27Å; E647-Q651 PolarHBondContact O-N 3.4Å; E647-Q651 PolarHBondContact OE1-NE2 3.04Å; C648-Q651 PolarHBondContact O-N 2.92Å; Q651-L654 PolarHBondContact O-N 3.38Å; Q651-R655 WeakPolarHBondContact O-CG 3.45Å; Q651-R655 PolarHBondContact O-N 3.11Å; Q651-R655 VanDerWaalsContact O-N 3.09Å
652C78.5Confident73.4Confident91 Ų91115.2 Ų115.262%0.61560%0.597SS**Hα-helixtrans-61.2-43172.1-70.80000112C648 R655 A656C648-C652 PolarHBondContact O-N 3.41Å; C648-C652 PolarHBondContact O-SG 2.91Å; C648-C652 VanDerWaalsContact O-SG 3.38Å; C652-R655 PolarHBondContact O-N 3.42Å; C652-A656 PolarHBondContact O-N 3.37Å; C652-A656 VanDerWaalsContact O-N 3.15Å
653F74.9Confident71.1Confident140 Ų140114.1 Ų114.161%0.61461%0.607SS**Hα-helixtrans-62.1-45.1177-174.4-94.7000112.2K649 R650 R655 A656 Q657K649-F653 PolarHBondContact O-N 2.95Å; K649-F653 VanDerWaalsContact O-N 3.09Å; R650-F653 PolarHBondContact O-N 2.89Å; F653-R655 PolarHBondContact O-N 3.02Å; F653-A656 PolarHBondContact O-N 3.1Å; F653-Q657 PolarHBondContact O-N 2.98Å; F653-Q657 VanDerWaalsContact O-N 3.16Å
654L75.4Confident68.7Low79 Ų79116.5 Ų116.541%0.41462%0.619SS.*Hα-helixtrans-62.7-40.5177.8-71.8166.9000112.7R650 Q651 Q657 S658R650-L654 HydrophobicContact CG-CD1 4.32Å; R650-L654 WeakPolarHBondContact O-CG 3.4Å; R650-L654 PolarHBondContact O-N 3.49Å; Q651-L654 PolarHBondContact O-N 3.38Å; L654-Q657 PolarHBondContact O-N 2.95Å; L654-S658 PolarHBondContact O-N 3.3Å; L654-S658 PolarHBondContact O-OG 2.69Å
655R73.1Confident66.6Low190 Ų190115.6 Ų115.672%0.71762%0.621SS**Hα-helixtrans-64.5-38.8176.3-74.5-176.5179.6-173.21.3112.7Q651 C652 F653 Q657 S658Q651-R655 WeakPolarHBondContact O-CG 3.45Å; Q651-R655 PolarHBondContact O-N 3.11Å; Q651-R655 VanDerWaalsContact O-N 3.09Å; C652-R655 PolarHBondContact O-N 3.42Å; F653-R655 PolarHBondContact O-N 3.02Å; R655-Q657 VanDerWaalsContact C-N 3.27Å; R655-Q657 PolarHBondContact O-N 3.47Å; R655-S658 PolarHBondContact O-N 2.73Å; R655-S658 PolarHBondContact O-OG 3.07Å
656A69.8Low64.1Low69 Ų69118 Ų11857%0.5763%0.633SS**Hα-helixtrans-64.5-32.6175.100000112.3C652 F653C652-A656 PolarHBondContact O-N 3.37Å; C652-A656 VanDerWaalsContact O-N 3.15Å; F653-A656 PolarHBondContact O-N 3.1Å
657Q64.9Low62.1Low127 Ų127119.3 Ų119.359%0.59364%0.638SS**Hα-helixtrans-74.6-29.8179.7-154.217024.100113F653 L654 R655F653-Q657 PolarHBondContact O-N 2.98Å; F653-Q657 VanDerWaalsContact O-N 3.16Å; L654-Q657 PolarHBondContact O-N 2.95Å; R655-Q657 VanDerWaalsContact C-N 3.27Å; R655-Q657 PolarHBondContact O-N 3.47Å
658S60.1Low60.1Low87 Ų87123.9 Ų123.961%0.60866%0.659SS**Hα-helixtrans-77.8-12.4-178.452.20000116.3L654 R655L654-S658 PolarHBondContact O-N 3.3Å; L654-S658 PolarHBondContact O-OG 2.69Å; R655-S658 PolarHBondContact O-N 2.73Å; R655-S658 PolarHBondContact O-OG 3.07Å
659Q58.2Low58.8Low175 Ų175124.4 Ų124.482%0.81868%0.677SS**THydrogen-bonded Turntrans-92.5-1.4-178-76.4-173-37.500114.5
660A56.1Low56.6Low88 Ų88120.4 Ų120.473%0.72768%0.678SS**SBendtrans-100.98.3-164.300000116.3
661S47.3Very low54.8Low103 Ų103123 Ų12372%0.7270%0.696SS**SBendtrans-131.434.6-16571.80000117.3
662I43.5Very low52.6Low175 Ų175125.4 Ų125.490%0.89771%0.711SS**  trans-140.6125.5157.8-57.7-177.4000110.2
663G39.8Very low51Low65 Ų65131.5 Ų131.567%0.6772%0.721SS**  trans-146.7164.8164.500000108.4
664Q34.5Very low49Very low183 Ų183132.4 Ų132.486%0.85573%0.732SS**  cis-152.3152.919.4-86.9-179.8-65.300112.3
665V38.6Very low47.2Very low107 Ų107134.8 Ų134.865%0.64875%0.749SS**  trans50.9124.9137.8-1760000121.1
666I34.4Very low45.6Very low171 Ų171137.1 Ų137.188%0.87777%0.774SS**  trans-134.4140.5155.1-64.1-178.8000110.4
667Q44.1Very low44.4Very low145 Ų145140.5 Ų140.568%0.67879%0.785SS**  trans-135.7155.8171.6-75.3165.3-109.800107.1
668E41.3Very low43.3Very low160 Ų160141.2 Ų141.275%0.74880%0.795SS**SBendcis-153.8159.55-140.5156.6-91.700109.2
669G54.8Low42.4Very low85 Ų85144.2 Ų144.288%0.87681%0.805SS**SBendcis-138.243.7-3.300000114.7
670G34.6Very low41.4Very low63 Ų63142.4 Ų142.465%0.64980%0.804SS**  cis170.287.84.800000109.2
671E45.3Very low40.5Very low191 Ų191145.8 Ų145.889%0.89381%0.809SS**  trans-52141.6174.2-58.8170142.200108.9
672D34.6Very low40.1Very low139 Ų139148.7 Ų148.774%0.74382%0.815SS**  -164.7-175.854.6-143.9-26.7000113.6
673R44.8Very low39.8Very low219 Ų219146.8 Ų146.883%0.82681%0.809SS**  trans-70.2155.2-175.7-58.4151.9172.1-177.1-0.8114.5
674L33.3Very low39.8Very low160 Ų160153.1 Ų153.184%0.83882%0.82SS**  trans169.7115.4131.9-89.2155.1000108
675V38.4Very low40.3Very low128 Ų128150.6 Ų150.678%0.77682%0.817SS**  50.988.989.6-171.40000113.9
676L39.3Very low40.4Very low239 Ų239154.5 Ų154.5100%1.25183%0.832SS**  -1510109.7-106.4170.2000110.2

Retrieved 676 of 676 residues in 786.2 ms (Link to these results)

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