A0A087XBM8_POEFO 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 A0A087XBM8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, 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
1M51.9Low78.1Confident171 Ų17178.5 Ų78.584%0.84238%0.384SS*.  0-79.40-67.2-77.9-101.300112.1E3 Q4 L5M1-E3 PolarHBondContact O-N 3.47Å; M1-Q4 PolarHBondContact O-N 3.44Å; M1-L5 PolarHBondContact O-N 3.09Å
2S67.1Low78.6Confident75 Ų7571.9 Ų71.952%0.52435%0.352SS..Hα-helixtrans-56.5-46.2-173.9-173.30000114.2L5 K6S2-L5 PolarHBondContact O-N 3.2Å; S2-K6 WeakPolarHBondContact O-CG 3.5Å; S2-K6 PolarHBondContact O-N 3.1Å
3E75.5Confident79Confident161 Ų16170.3 Ų70.375%0.75235%0.346SS*.Hα-helixtrans-69.8-34.6179.6-63-174.5151.600113.5M1 K6 F7M1-E3 PolarHBondContact O-N 3.47Å; E3-K6 PolarHBondContact O-N 3.21Å; E3-F7 WeakPolarHBondContact O-CB 3.48Å; E3-F7 PolarHBondContact O-N 2.92Å
4Q79.9Confident79.2Confident79 Ų7972.1 Ų72.137%0.36936%0.355SS..Hα-helixtrans-64.6-42.8175.5-69.4164.8-48.800111M1 F7 I8M1-Q4 PolarHBondContact O-N 3.44Å; Q4-F7 PolarHBondContact O-N 3.49Å; Q4-I8 WeakPolarHBondContact O-CD1 3.28Å; Q4-I8 WeakPolarHBondContact O-CG1 3.32Å; Q4-I8 PolarHBondContact O-N 3.47Å
5L80.7Confident78.4Confident30 Ų3076.7 Ų76.716%0.15738%0.376CS..Hα-helixtrans-64.4-44.8174.3-81.2160.3000112M1 S2 F7 I8 V9 L23 F26M1-L5 PolarHBondContact O-N 3.09Å; S2-L5 PolarHBondContact O-N 3.2Å; L5-F7 VanDerWaalsContact C-N 3.33Å; L5-F7 PolarHBondContact O-N 3.44Å; L5-I8 PolarHBondContact O-N 3.12Å; L5-V9 WeakPolarHBondContact O-CB 3.36Å; L5-V9 WeakPolarHBondContact O-CG2 3.48Å; L5-V9 PolarHBondContact O-N 3.2Å; L5-L23 HydrophobicContact CB-CD2 4.24Å; L5-F26 HydrophobicContact CD2-CD1 3.77Å; L5-F26 HydrophobicContact CD2-CE1 3.84Å
6K82Confident78.1Confident112 Ų11275.9 Ų75.949%0.48738%0.378SS..Hα-helixtrans-55.9-46.5173.2-74.9173.1179.8-1780111.8S2 E3 Q10 L23S2-K6 WeakPolarHBondContact O-CG 3.5Å; S2-K6 PolarHBondContact O-N 3.1Å; E3-K6 PolarHBondContact O-N 3.21Å; K6-Q10 VanDerWaalsContact O-CB 3.3Å; K6-Q10 WeakPolarHBondContact O-CB 3.41Å; K6-Q10 PolarHBondContact O-N 3.44Å; K6-L23 HydrophobicContact CG-CD1 4.08Å; K6-L23 HydrophobicContact CG-CD2 3.87Å
7F85.3Confident78.1Confident57 Ų5773.2 Ų73.225%0.2536%0.364CS..Hα-helixtrans-64-46.2178.7-177.7-93.1000112.5E3 Q4 L5 V9 Q10 Q11 H103 L106 Q107E3-F7 WeakPolarHBondContact O-CB 3.48Å; E3-F7 PolarHBondContact O-N 2.92Å; Q4-F7 PolarHBondContact O-N 3.49Å; L5-F7 VanDerWaalsContact C-N 3.33Å; L5-F7 PolarHBondContact O-N 3.44Å; F7-V9 PolarHBondContact O-N 3Å; F7-Q10 PolarHBondContact O-N 3.34Å; F7-Q11 HydrophobicContact CD1-CG 4.19Å; F7-Q11 HydrophobicContact CD2-CG 4.45Å; F7-Q11 HydrophobicContact CE1-CG 3.74Å; F7-Q11 HydrophobicContact CE2-CG 4.03Å; F7-Q11 HydrophobicContact CZ-CG 3.64Å; F7-Q11 WeakPolarHBondContact O-CG 3.27Å; F7-Q11 PolarHBondContact O-N 2.92Å; F7-H103 AromaticContact CD1-CE1 3.96Å; F7-H103 AromaticContact CD1-ND1 3.61Å; F7-L106 HydrophobicContact CE1-CB 4.19Å; F7-Q107 HydrophobicContact CD1-CG 4.49Å; F7-Q107 HydrophobicContact CE1-CB 4.45Å; F7-Q107 HydrophobicContact CE1-CG 3.63Å; F7-Q107 HydrophobicContact CZ-CG 3.79Å
8I84.4Confident78.2Confident0 Ų078.2 Ų78.20%038%0.377CS..Hα-helixtrans-59.1-49.6177.6-68.7161.1000110.3Q4 L5 Q10 Q11 L12 F26 H99 L102 H103 L106Q4-I8 WeakPolarHBondContact O-CD1 3.28Å; Q4-I8 WeakPolarHBondContact O-CG1 3.32Å; Q4-I8 PolarHBondContact O-N 3.47Å; L5-I8 PolarHBondContact O-N 3.12Å; I8-Q10 PolarHBondContact O-N 2.86Å; I8-Q11 PolarHBondContact O-N 3.02Å; I8-L12 HydrophobicContact CG2-CD1 3.64Å; I8-L12 HydrophobicContact CG2-CG 4.26Å; I8-L12 WeakPolarHBondContact O-CB 3.35Å; I8-L12 VanDerWaalsContact O-CG 3.28Å; I8-L12 WeakPolarHBondContact O-CG 3.49Å; I8-L12 PolarHBondContact O-N 3.24Å; I8-F26 HydrophobicContact CG2-CE1 3.86Å; I8-F26 HydrophobicContact CG2-CE2 4.06Å; I8-F26 HydrophobicContact CG2-CZ 3.49Å; I8-F26 VanDerWaalsContact CG2-CZ 3.49Å; I8-H99 HydrophobicContact CD1-CB 4.33Å; I8-H99 WeakPolarHBondContact CD1-O 3.14Å; I8-L102 HydrophobicContact CD1-CB 4.19Å; I8-L102 HydrophobicContact CG1-CB 4.32Å; I8-L102 HydrophobicContact CG2-CB 4.4Å; I8-L102 HydrophobicContact CG2-CD1 4.47Å; I8-H103 HydrophobicContact CD1-CB 4.14Å; I8-H103 HydrophobicContact CG1-CB 4.23Å; I8-L106 HydrophobicContact CB-CD1 4.31Å; I8-L106 HydrophobicContact CG1-CD1 4.36Å; I8-L106 HydrophobicContact CG2-CD1 3.94Å
9V84.3Confident78Confident10 Ų1077.6 Ų77.66%0.06137%0.373CS..Hα-helixtrans-62.5-42.3179.6172.30000111.5L5 F7 L12 N13 F21 L23 F26L5-V9 WeakPolarHBondContact O-CB 3.36Å; L5-V9 WeakPolarHBondContact O-CG2 3.48Å; L5-V9 PolarHBondContact O-N 3.2Å; F7-V9 PolarHBondContact O-N 3Å; V9-L12 PolarHBondContact O-N 3.09Å; V9-N13 WeakPolarHBondContact O-CB 3.2Å; V9-N13 PolarHBondContact O-N 3.14Å; V9-N13 VanDerWaalsContact O-N 3.16Å; V9-N13 PolarHBondContact O-ND2 2.84Å; V9-N13 PolarHBondContact O-OD1 3.03Å; V9-F21 HydrophobicContact CG1-CB 4.33Å; V9-F21 WeakPolarHBondContact CG1-O 3.34Å; V9-L23 HydrophobicContact CG2-CD2 4.39Å; V9-F26 HydrophobicContact CG2-CB 3.62Å; V9-F26 HydrophobicContact CG2-CD1 3.92Å; V9-F26 HydrophobicContact CG2-CD2 4.33Å; V9-F26 HydrophobicContact CG2-CG 3.68Å
10Q84.9Confident78.1Confident117 Ų11780.5 Ų80.555%0.54739%0.39SS..Hα-helixtrans-60.8-47.3176.6-174.7176.91.500111.8K6 F7 I8 N13 M14K6-Q10 VanDerWaalsContact O-CB 3.3Å; K6-Q10 WeakPolarHBondContact O-CB 3.41Å; K6-Q10 PolarHBondContact O-N 3.44Å; F7-Q10 PolarHBondContact O-N 3.34Å; I8-Q10 PolarHBondContact O-N 2.86Å; Q10-N13 PolarHBondContact O-N 3.32Å; Q10-M14 HydrophobicContact CG-SD 4.47Å; Q10-M14 WeakPolarHBondContact O-CG 3.31Å; Q10-M14 PolarHBondContact O-N 3.23Å
11Q83.1Confident78.4Confident51 Ų5178.3 Ų78.324%0.23838%0.379CS..Hα-helixtrans-70.3-34.8-179.5-67.5-61-34.300113.1F7 I8 N13 M14 L106F7-Q11 HydrophobicContact CD1-CG 4.19Å; F7-Q11 HydrophobicContact CD2-CG 4.45Å; F7-Q11 HydrophobicContact CE1-CG 3.74Å; F7-Q11 HydrophobicContact CE2-CG 4.03Å; F7-Q11 HydrophobicContact CZ-CG 3.64Å; F7-Q11 WeakPolarHBondContact O-CG 3.27Å; F7-Q11 PolarHBondContact O-N 2.92Å; I8-Q11 PolarHBondContact O-N 3.02Å; Q11-N13 PolarHBondContact O-N 2.97Å; Q11-M14 PolarHBondContact O-N 3.46Å; Q11-L106 HydrophobicContact CB-CB 4.06Å; Q11-L106 HydrophobicContact CB-CD1 4.21Å; Q11-L106 HydrophobicContact CB-CD2 4.24Å; Q11-L106 HydrophobicContact CB-CG 4.4Å; Q11-L106 HydrophobicContact CG-CB 4.36Å
12L83.4Confident79.8Confident0 Ų075.5 Ų75.50%037%0.368CS..Hα-helixtrans-69.8-19.9174.8-70.9175000113.5I8 V9 F17 R18 K19 F21 F26 I37 V41 L106I8-L12 HydrophobicContact CG2-CD1 3.64Å; I8-L12 HydrophobicContact CG2-CG 4.26Å; I8-L12 WeakPolarHBondContact O-CB 3.35Å; I8-L12 VanDerWaalsContact O-CG 3.28Å; I8-L12 WeakPolarHBondContact O-CG 3.49Å; I8-L12 PolarHBondContact O-N 3.24Å; V9-L12 PolarHBondContact O-N 3.09Å; L12-F17 HydrophobicContact CD2-CB 4.42Å; L12-F17 HydrophobicContact CD2-CD2 4.34Å; L12-F17 HydrophobicContact CD2-CG 4.28Å; L12-F17 WeakPolarHBondContact O-CB 3.47Å; L12-R18 PolarHBondContact O-N 3.04Å; L12-K19 PolarHBondContact O-N 3.32Å; L12-F21 HydrophobicContact CB-CD2 4.4Å; L12-F21 HydrophobicContact CD1-CD2 4.3Å; L12-F21 HydrophobicContact CD1-CE2 4.43Å; L12-F26 HydrophobicContact CD1-CD2 4.1Å; L12-F26 HydrophobicContact CD1-CE2 3.47Å; L12-F26 VanDerWaalsContact CD1-CE2 3.47Å; L12-F26 HydrophobicContact CD1-CZ 4.17Å; L12-I37 HydrophobicContact CD1-CG2 3.95Å; L12-I37 HydrophobicContact CD2-CG2 4.18Å; L12-V41 HydrophobicContact CD2-CG2 3.78Å; L12-L106 HydrophobicContact CD2-CD1 4.12Å; L12-L106 HydrophobicContact CD2-CD2 4.28Å; L12-L106 HydrophobicContact CG-CD1 3.97Å
13N84.9Confident80.4Confident51 Ų5175.8 Ų75.827%0.27336%0.363SS..Hα-helixtrans-88.5-19.8175.1-67.9-7.3000112.9V9 Q10 Q11 N20 F21V9-N13 WeakPolarHBondContact O-CB 3.2Å; V9-N13 PolarHBondContact O-N 3.14Å; V9-N13 VanDerWaalsContact O-N 3.16Å; V9-N13 PolarHBondContact O-ND2 2.84Å; V9-N13 PolarHBondContact O-OD1 3.03Å; Q10-N13 PolarHBondContact O-N 3.32Å; Q11-N13 PolarHBondContact O-N 2.97Å; N13-N20 VanDerWaalsContact OD1-CA 3.29Å; N13-N20 WeakPolarHBondContact OD1-CA 3.48Å; N13-N20 PolarHBondContact OD1-N 3.34Å; N13-F21 PolarHBondContact ND2-O 3.34Å; N13-F21 PolarHBondContact OD1-N 3.29Å
14M81.9Confident80.7Confident96 Ų9675 Ų7547%0.47336%0.362SS..SBendtrans-78.2170.1174.2-69.4178.272.500111.5Q10 Q11 F17 R18Q10-M14 HydrophobicContact CG-SD 4.47Å; Q10-M14 WeakPolarHBondContact O-CG 3.31Å; Q10-M14 PolarHBondContact O-N 3.23Å; Q11-M14 PolarHBondContact O-N 3.46Å; M14-F17 PolarHBondContact O-N 3.1Å; M14-R18 PolarHBondContact O-N 2.94Å
15E66.6Low80.7Confident141 Ų14174.1 Ų74.166%0.65936%0.362SS*.THydrogen-bonded Turntrans-66.5138.4168.8-57.2-169.4161.900109.7R18E15-R18 HydrophobicContact CG-CG 4.41Å; E15-R18 IonicContact OE1-CZ 3.24Å; E15-R18 IonicContact OE1-NE 2.71Å; E15-R18 PolarHBondContact OE1-NE 3Å; E15-R18 IonicContact OE1-NH2 3.73Å; E15-R18 PolarHBondContact OE1-NH2 3.43Å
16P72.9Confident80.8Confident64 Ų6472.7 Ų72.742%0.41636%0.355SS..THydrogen-bonded Turncis-90.6-8.312.334.7-35.9000115.6E44P16-E44 HydrophobicContact CB-CG 4.49Å; P16-E44 HydrophobicContact CG-CG 3.6Å; P16-E44 WeakPolarHBondContact CG-OE1 3.5Å
17F78.6Confident80.9Confident30 Ų3070.8 Ų70.813%0.13235%0.35CS..THydrogen-bonded Turntrans-83.5-35.4-163.7-58.6-68.1000115.4L12 M14 K19 V41 E44 L106L12-F17 HydrophobicContact CD2-CB 4.42Å; L12-F17 HydrophobicContact CD2-CD2 4.34Å; L12-F17 HydrophobicContact CD2-CG 4.28Å; L12-F17 WeakPolarHBondContact O-CB 3.47Å; M14-F17 PolarHBondContact O-N 3.1Å; F17-K19 VanDerWaalsContact C-N 3.28Å; F17-K19 HydrophobicContact CB-CG 4.48Å; F17-K19 VanDerWaalsContact O-CG 3.28Å; F17-K19 WeakPolarHBondContact O-CG 3.47Å; F17-K19 PolarHBondContact O-N 3.11Å; F17-K19 VanDerWaalsContact O-N 3.08Å; F17-V41 HydrophobicContact CD1-CG2 4.4Å; F17-V41 HydrophobicContact CE1-CB 4.33Å; F17-V41 HydrophobicContact CE1-CG2 3.91Å; F17-V41 HydrophobicContact CE2-CG2 4.43Å; F17-V41 HydrophobicContact CZ-CB 4.26Å; F17-V41 HydrophobicContact CZ-CG1 4.23Å; F17-V41 HydrophobicContact CZ-CG2 3.92Å; F17-E44 HydrophobicContact CE1-CB 3.59Å; F17-E44 HydrophobicContact CE1-CG 3.78Å; F17-E44 HydrophobicContact CZ-CB 3.84Å; F17-E44 HydrophobicContact CZ-CG 3.74Å; F17-L106 HydrophobicContact CD2-CD2 4.2Å; F17-L106 HydrophobicContact CE2-CD2 3.66Å; F17-L106 HydrophobicContact CZ-CD2 4.37Å
18R79.6Confident80.8Confident163 Ų16372.3 Ų72.362%0.61537%0.368SS*.  trans4637.9173.6-61.8-176.9174.1178.3-0.4115.8L12 M14 E15 N20L12-R18 PolarHBondContact O-N 3.04Å; M14-R18 PolarHBondContact O-N 2.94Å; E15-R18 HydrophobicContact CG-CG 4.41Å; E15-R18 IonicContact OE1-CZ 3.24Å; E15-R18 IonicContact OE1-NE 2.71Å; E15-R18 PolarHBondContact OE1-NE 3Å; E15-R18 IonicContact OE1-NH2 3.73Å; E15-R18 PolarHBondContact OE1-NH2 3.43Å; R18-N20 PolarHBondContact O-N 3.42Å
19K75.6Confident80.7Confident67 Ų6773.3 Ų73.329%0.29137%0.373SS..  trans-84.7-3.1-171.8-65.7-156.2172.3-165.30116.7L12 F17 F21 D40L12-K19 PolarHBondContact O-N 3.32Å; F17-K19 VanDerWaalsContact C-N 3.28Å; F17-K19 HydrophobicContact CB-CG 4.48Å; F17-K19 VanDerWaalsContact O-CG 3.28Å; F17-K19 WeakPolarHBondContact O-CG 3.47Å; F17-K19 PolarHBondContact O-N 3.11Å; F17-K19 VanDerWaalsContact O-N 3.08Å; K19-F21 VanDerWaalsContact C-N 3.27Å; K19-F21 HydrophobicContact CB-CD2 3.73Å; K19-F21 HydrophobicContact CB-CE2 3.43Å; K19-F21 VanDerWaalsContact CB-CE2 3.43Å; K19-F21 HydrophobicContact CB-CG 4.48Å; K19-F21 HydrophobicContact CB-CZ 3.96Å; K19-F21 HydrophobicContact CD-CE2 3.67Å; K19-F21 HydrophobicContact CD-CZ 3.96Å; K19-F21 HydrophobicContact CG-CE2 4.17Å; K19-F21 PolarHBondContact O-N 2.77Å; K19-F21 VanDerWaalsContact O-N 3.14Å; K19-D40 IonicContact NZ-OD2 2.71Å; K19-D40 PolarHBondContact NZ-OD2 3.17Å
20N80.1Confident80.7Confident134 Ų13478.5 Ų78.572%0.71740%0.396SS*.  trans48.838.4173.5-65.1-20.6000115.8N13 R18N13-N20 VanDerWaalsContact OD1-CA 3.29Å; N13-N20 WeakPolarHBondContact OD1-CA 3.48Å; N13-N20 PolarHBondContact OD1-N 3.34Å; R18-N20 PolarHBondContact O-N 3.42Å
21F83.1Confident80.5Confident35 Ų3576.3 Ų76.315%0.15439%0.392CS..  trans-77.5145.6176.2-64.4-54.8000112.4V9 L12 N13 K19 F26 L29 I37V9-F21 HydrophobicContact CG1-CB 4.33Å; V9-F21 WeakPolarHBondContact CG1-O 3.34Å; L12-F21 HydrophobicContact CB-CD2 4.4Å; L12-F21 HydrophobicContact CD1-CD2 4.3Å; L12-F21 HydrophobicContact CD1-CE2 4.43Å; N13-F21 PolarHBondContact ND2-O 3.34Å; N13-F21 PolarHBondContact OD1-N 3.29Å; K19-F21 VanDerWaalsContact C-N 3.27Å; K19-F21 HydrophobicContact CB-CD2 3.73Å; K19-F21 HydrophobicContact CB-CE2 3.43Å; K19-F21 VanDerWaalsContact CB-CE2 3.43Å; K19-F21 HydrophobicContact CB-CG 4.48Å; K19-F21 HydrophobicContact CB-CZ 3.96Å; K19-F21 HydrophobicContact CD-CE2 3.67Å; K19-F21 HydrophobicContact CD-CZ 3.96Å; K19-F21 HydrophobicContact CG-CE2 4.17Å; K19-F21 PolarHBondContact O-N 2.77Å; K19-F21 VanDerWaalsContact O-N 3.14Å; F21-F26 HydrophobicContact CB-CB 4.25Å; F21-F26 AromaticContact CD2-CD2 3.95Å; F21-F26 HydrophobicContact CD2-CD2 3.95Å; F21-F26 HydrophobicContact CE2-CD2 4.34Å; F21-F26 HydrophobicContact CG-CD2 4.3Å; F21-L29 HydrophobicContact CE1-CD2 4.45Å; F21-I37 HydrophobicContact CE2-CD1 3.86Å; F21-I37 HydrophobicContact CE2-CG1 4.43Å; F21-I37 HydrophobicContact CZ-CD1 3.66Å; F21-I37 HydrophobicContact CZ-CG1 4.37Å
22N82.6Confident80.4Confident113 Ų11378.2 Ų78.260%0.60440%0.402SS*.  trans-95.8161.4161.2-71.9-41.8000110.3I24 T25 F26N22-I24 VanDerWaalsContact C-N 3.26Å; N22-I24 PolarHBondContact O-N 2.87Å; N22-T25 HydrophobicContact CB-CG2 4.33Å; N22-T25 PolarHBondContact N-OG1 3.21Å; N22-T25 PolarHBondContact O-N 3.02Å; N22-T25 VanDerWaalsContact O-N 3.17Å; N22-T25 PolarHBondContact O-OG1 2.85Å; N22-F26 WeakPolarHBondContact O-CB 3.23Å; N22-F26 PolarHBondContact O-N 3.01Å
23L79.6Confident80.3Confident81 Ų8182.1 Ų82.142%0.42442%0.421SS..Hα-helixtrans-52.9-42.2177.1-78.3161.6000113.1L5 K6 V9 D27L5-L23 HydrophobicContact CB-CD2 4.24Å; K6-L23 HydrophobicContact CG-CD1 4.08Å; K6-L23 HydrophobicContact CG-CD2 3.87Å; V9-L23 HydrophobicContact CG2-CD2 4.39Å; L23-D27 PolarHBondContact O-N 3.24Å; L23-D27 VanDerWaalsContact O-N 3.15Å
24I80.6Confident80.2Confident144 Ų14479.9 Ų79.974%0.73841%0.408SS*.Hα-helixtrans-70.2-45.4179.9-58.9171.1000110.5N22 F26 D27 S28N22-I24 VanDerWaalsContact C-N 3.26Å; N22-I24 PolarHBondContact O-N 2.87Å; I24-F26 VanDerWaalsContact C-N 3.3Å; I24-F26 PolarHBondContact O-N 2.91Å; I24-D27 PolarHBondContact O-N 3.05Å; I24-S28 WeakPolarHBondContact O-CB 3.36Å; I24-S28 PolarHBondContact O-N 3.23Å; I24-S28 PolarHBondContact O-OG 3.46Å
25T80.4Confident80.2Confident60 Ų6076.2 Ų76.237%0.36839%0.391SS..Hα-helixtrans-71-26.3-177.760.70000112.8N22 S28 L29N22-T25 HydrophobicContact CB-CG2 4.33Å; N22-T25 PolarHBondContact N-OG1 3.21Å; N22-T25 PolarHBondContact O-N 3.02Å; N22-T25 VanDerWaalsContact O-N 3.17Å; N22-T25 PolarHBondContact O-OG1 2.85Å; T25-S28 WeakPolarHBondContact CA-OG 3.4Å; T25-S28 PolarHBondContact O-OG 2.94Å; T25-S28 VanDerWaalsContact O-OG 3.12Å; T25-L29 WeakPolarHBondContact O-CG 3.48Å
26F83Confident81Confident1 Ų171.4 Ų71.40%0.00437%0.368CS..Hα-helixtrans-77.1-41.1173.9-174.4-96.1000111.8L5 I8 V9 L12 F21 N22 I24 S28 L29 L34 H99 L102L5-F26 HydrophobicContact CD2-CD1 3.77Å; L5-F26 HydrophobicContact CD2-CE1 3.84Å; I8-F26 HydrophobicContact CG2-CE1 3.86Å; I8-F26 HydrophobicContact CG2-CE2 4.06Å; I8-F26 HydrophobicContact CG2-CZ 3.49Å; I8-F26 VanDerWaalsContact CG2-CZ 3.49Å; V9-F26 HydrophobicContact CG2-CB 3.62Å; V9-F26 HydrophobicContact CG2-CD1 3.92Å; V9-F26 HydrophobicContact CG2-CD2 4.33Å; V9-F26 HydrophobicContact CG2-CG 3.68Å; L12-F26 HydrophobicContact CD1-CD2 4.1Å; L12-F26 HydrophobicContact CD1-CE2 3.47Å; L12-F26 VanDerWaalsContact CD1-CE2 3.47Å; L12-F26 HydrophobicContact CD1-CZ 4.17Å; F21-F26 HydrophobicContact CB-CB 4.25Å; F21-F26 AromaticContact CD2-CD2 3.95Å; F21-F26 HydrophobicContact CD2-CD2 3.95Å; F21-F26 HydrophobicContact CE2-CD2 4.34Å; F21-F26 HydrophobicContact CG-CD2 4.3Å; N22-F26 WeakPolarHBondContact O-CB 3.23Å; N22-F26 PolarHBondContact O-N 3.01Å; I24-F26 VanDerWaalsContact C-N 3.3Å; I24-F26 PolarHBondContact O-N 2.91Å; F26-S28 VanDerWaalsContact C-N 3.3Å; F26-S28 PolarHBondContact O-N 3.12Å; F26-L29 HydrophobicContact CD2-CD1 3.55Å; F26-L29 HydrophobicContact CE2-CD1 3.85Å; F26-L29 HydrophobicContact CG-CD1 4.15Å; F26-L29 WeakPolarHBondContact O-CB 3.4Å; F26-L29 WeakPolarHBondContact O-CD1 3.36Å; F26-L29 VanDerWaalsContact O-CG 3.25Å; F26-L29 WeakPolarHBondContact O-CG 3.2Å; F26-L29 PolarHBondContact O-N 2.99Å; F26-L34 HydrophobicContact CE2-CD1 4.39Å; F26-L34 HydrophobicContact CZ-CD1 3.91Å; F26-H99 AromaticContact CE1-NE2 3.98Å; F26-L102 HydrophobicContact CZ-CD1 3.98Å
27D83.4Confident81.5Confident72 Ų7268.8 Ų68.839%0.38535%0.351SS..Hα-helixtrans-74-20.9175.3-166.443.5000112.5L23 I24 L29 K95L23-D27 PolarHBondContact O-N 3.24Å; L23-D27 VanDerWaalsContact O-N 3.15Å; I24-D27 PolarHBondContact O-N 3.05Å; D27-L29 VanDerWaalsContact C-N 3.26Å; D27-L29 PolarHBondContact O-N 3.3Å; D27-K95 WeakPolarHBondContact O-CE 3.23Å; D27-K95 PolarHBondContact O-NZ 3.1Å; D27-K95 IonicContact OD1-NZ 3.33Å; D27-K95 PolarHBondContact OD1-NZ 3.5Å; D27-K95 IonicContact OD2-NZ 2.64Å
28S84.4Confident81.8Confident89 Ų8967.3 Ų67.362%0.62234%0.344SS*.THydrogen-bonded Turntrans-79.92.1172.668.20000114.7I24 T25 F26I24-S28 WeakPolarHBondContact O-CB 3.36Å; I24-S28 PolarHBondContact O-N 3.23Å; I24-S28 PolarHBondContact O-OG 3.46Å; T25-S28 WeakPolarHBondContact CA-OG 3.4Å; T25-S28 PolarHBondContact O-OG 2.94Å; T25-S28 VanDerWaalsContact O-OG 3.12Å; F26-S28 VanDerWaalsContact C-N 3.3Å; F26-S28 PolarHBondContact O-N 3.12Å
29L82.8Confident82Confident20 Ų2059.6 Ų59.611%0.10532%0.315CS..  trans-67.2137.4-178.4-68.7170.3000112.3F21 T25 F26 D27 Q33 I37F21-L29 HydrophobicContact CE1-CD2 4.45Å; T25-L29 WeakPolarHBondContact O-CG 3.48Å; F26-L29 HydrophobicContact CD2-CD1 3.55Å; F26-L29 HydrophobicContact CE2-CD1 3.85Å; F26-L29 HydrophobicContact CG-CD1 4.15Å; F26-L29 WeakPolarHBondContact O-CB 3.4Å; F26-L29 WeakPolarHBondContact O-CD1 3.36Å; F26-L29 VanDerWaalsContact O-CG 3.25Å; F26-L29 WeakPolarHBondContact O-CG 3.2Å; F26-L29 PolarHBondContact O-N 2.99Å; D27-L29 VanDerWaalsContact C-N 3.26Å; D27-L29 PolarHBondContact O-N 3.3Å; L29-Q33 HydrophobicContact CD2-CB 4.33Å; L29-I37 HydrophobicContact CD1-CD1 3.4Å; L29-I37 HydrophobicContact CD2-CD1 4.37Å
30E83.2Confident82.3Confident119 Ų11958.4 Ų58.456%0.55631%0.312SS*.  trans-68.3151.6172.8-64178.7152.900111.2M32 Q33 L34E30-M32 PolarHBondContact O-N 3.23Å; E30-M32 VanDerWaalsContact O-N 3.13Å; E30-Q33 HydrophobicContact CB-CG 4.07Å; E30-Q33 WeakPolarHBondContact O-CB 3.41Å; E30-Q33 PolarHBondContact O-N 2.98Å; E30-Q33 PolarHBondContact OE2-NE2 3.35Å; E30-L34 PolarHBondContact O-N 2.8Å
31P81.7Confident82.5Confident71 Ų7152 Ų5246%0.46128%0.278SS..Hα-helixtrans-55.1-36.1-177.6-2734.9000114.4L35 T92P31-L35 WeakPolarHBondContact O-CB 3.49Å; P31-L35 WeakPolarHBondContact O-CG 3.47Å; P31-L35 PolarHBondContact O-N 3.23Å; P31-T92 WeakPolarHBondContact CB-O 3.43Å
32M79.6Confident82.5Confident92 Ų9250.4 Ų50.445%0.45327%0.271SS..Hα-helixtrans-69.1-38.1176.7-163.7-179.1-156.200112.4E30 L35 Q36 R54E30-M32 PolarHBondContact O-N 3.23Å; E30-M32 VanDerWaalsContact O-N 3.13Å; M32-L35 PolarHBondContact O-N 2.93Å; M32-Q36 PolarHBondContact O-N 3.36Å; M32-R54 HydrophobicContact CE-CB 4.48Å; M32-R54 HydrophobicContact CE-CG 3.57Å; M32-R54 HydrophobicContact SD-CG 4.48Å
33Q81.5Confident82.6Confident82 Ų8246.3 Ų46.338%0.38325%0.251SS..Hα-helixtrans-70.1-38.9177-58.517514.800111L29 E30 Q36 I37L29-Q33 HydrophobicContact CD2-CB 4.33Å; E30-Q33 HydrophobicContact CB-CG 4.07Å; E30-Q33 WeakPolarHBondContact O-CB 3.41Å; E30-Q33 PolarHBondContact O-N 2.98Å; E30-Q33 PolarHBondContact OE2-NE2 3.35Å; Q33-Q36 PolarHBondContact O-N 2.87Å; Q33-I37 WeakPolarHBondContact O-CD1 3.23Å; Q33-I37 WeakPolarHBondContact O-CG1 3.43Å; Q33-I37 PolarHBondContact O-N 2.75Å
34L82.9Confident82.8Confident3 Ų345.8 Ų45.82%0.01625%0.247CC..Hα-helixtrans-65.6-38.9175.4-175.962.4000111.9F26 E30 I37 L38 K95 V98 L102F26-L34 HydrophobicContact CE2-CD1 4.39Å; F26-L34 HydrophobicContact CZ-CD1 3.91Å; E30-L34 PolarHBondContact O-N 2.8Å; L34-I37 PolarHBondContact O-N 3.36Å; L34-L38 PolarHBondContact O-N 2.83Å; L34-K95 HydrophobicContact CD2-CG 4.04Å; L34-V98 HydrophobicContact CD1-CG1 4.18Å; L34-V98 HydrophobicContact CD2-CB 4.06Å; L34-V98 HydrophobicContact CD2-CG1 4.16Å; L34-V98 HydrophobicContact CG-CB 4.22Å; L34-V98 HydrophobicContact CG-CG1 3.77Å; L34-L102 HydrophobicContact CD1-CD1 3.94Å
35L82.1Confident82.9Confident19 Ų1939.3 Ų39.310%0.09921%0.213CC..Hα-helixtrans-65-41.2170.7-76.3174.1000112.1P31 M32 I37 L38 N39 I53 L90 V98P31-L35 WeakPolarHBondContact O-CB 3.49Å; P31-L35 WeakPolarHBondContact O-CG 3.47Å; P31-L35 PolarHBondContact O-N 3.23Å; M32-L35 PolarHBondContact O-N 2.93Å; L35-I37 VanDerWaalsContact C-N 3.34Å; L35-I37 PolarHBondContact O-N 3.02Å; L35-L38 HydrophobicContact CD2-CD2 4.43Å; L35-L38 CarbonylContact O-C 3.52Å; L35-L38 WeakPolarHBondContact O-CA 3.18Å; L35-L38 WeakPolarHBondContact O-CB 3.33Å; L35-L38 PolarHBondContact O-N 2.87Å; L35-L38 VanDerWaalsContact O-N 3.1Å; L35-N39 PolarHBondContact O-N 3.46Å; L35-I53 HydrophobicContact CB-CD1 3.71Å; L35-I53 VanDerWaalsContact O-CD1 3.25Å; L35-I53 WeakPolarHBondContact O-CD1 3.41Å; L35-L90 HydrophobicContact CD2-CD1 4.11Å; L35-V98 HydrophobicContact CD2-CG2 4.12Å
36Q83.9Confident82.9Confident41 Ų4137.6 Ų37.619%0.19220%0.202CC..Hα-helixtrans-61.6-43.7176.3-17360.941.700111M32 Q33 L38 N39 D40 D52M32-Q36 PolarHBondContact O-N 3.36Å; Q33-Q36 PolarHBondContact O-N 2.87Å; Q36-L38 VanDerWaalsContact C-N 3.27Å; Q36-L38 PolarHBondContact O-N 2.85Å; Q36-N39 CarbonylContact O-C 3.26Å; Q36-N39 PolarHBondContact O-N 3.3Å; Q36-D40 PolarHBondContact NE2-OD1 3.02Å; Q36-D40 PolarHBondContact O-N 2.94Å; Q36-D52 PolarHBondContact OE1-OD1 3.25Å
37I83.4Confident82.8Confident8 Ų842.6 Ų42.64%0.04124%0.235CC..Hα-helixtrans-60.8-36.3174.3-69156.7000111.7L12 F21 L29 Q33 L34 L35 D40 V41L12-I37 HydrophobicContact CD1-CG2 3.95Å; L12-I37 HydrophobicContact CD2-CG2 4.18Å; F21-I37 HydrophobicContact CE2-CD1 3.86Å; F21-I37 HydrophobicContact CE2-CG1 4.43Å; F21-I37 HydrophobicContact CZ-CD1 3.66Å; F21-I37 HydrophobicContact CZ-CG1 4.37Å; L29-I37 HydrophobicContact CD1-CD1 3.4Å; L29-I37 HydrophobicContact CD2-CD1 4.37Å; Q33-I37 WeakPolarHBondContact O-CD1 3.23Å; Q33-I37 WeakPolarHBondContact O-CG1 3.43Å; Q33-I37 PolarHBondContact O-N 2.75Å; L34-I37 PolarHBondContact O-N 3.36Å; L35-I37 VanDerWaalsContact C-N 3.34Å; L35-I37 PolarHBondContact O-N 3.02Å; I37-D40 PolarHBondContact O-N 3.13Å; I37-V41 WeakPolarHBondContact O-CG2 3.32Å; I37-V41 PolarHBondContact O-N 3.3Å
38L84.1Confident82.4Confident0 Ų045.7 Ų45.70%024%0.244CC..Hα-helixtrans-64.5-42.2171.4176.664.5000112.1L34 L35 Q36 V41 L42 M65 L90 V98 I101 L102 L105L34-L38 PolarHBondContact O-N 2.83Å; L35-L38 HydrophobicContact CD2-CD2 4.43Å; L35-L38 CarbonylContact O-C 3.52Å; L35-L38 WeakPolarHBondContact O-CA 3.18Å; L35-L38 WeakPolarHBondContact O-CB 3.33Å; L35-L38 PolarHBondContact O-N 2.87Å; L35-L38 VanDerWaalsContact O-N 3.1Å; Q36-L38 VanDerWaalsContact C-N 3.27Å; Q36-L38 PolarHBondContact O-N 2.85Å; L38-V41 PolarHBondContact O-N 3.47Å; L38-L42 HydrophobicContact CD1-CD1 4.38Å; L38-L42 HydrophobicContact CD1-CG 4.45Å; L38-L42 HydrophobicContact CG-CD1 4.23Å; L38-L42 WeakPolarHBondContact O-CG 3.33Å; L38-L42 PolarHBondContact O-N 3.28Å; L38-M65 HydrophobicContact CD2-CE 4.36Å; L38-M65 HydrophobicContact CD2-SD 4.1Å; L38-M65 HydrophobicContact CG-CE 4.27Å; L38-L90 HydrophobicContact CD2-CD1 3.96Å; L38-V98 HydrophobicContact CB-CG1 4.17Å; L38-V98 HydrophobicContact CD2-CG1 4.12Å; L38-I101 HydrophobicContact CD1-CB 4.4Å; L38-I101 HydrophobicContact CD1-CG2 3.58Å; L38-I101 HydrophobicContact CD2-CG2 4.45Å; L38-L102 HydrophobicContact CB-CD2 4.24Å; L38-L102 HydrophobicContact CD1-CD2 3.88Å; L38-L102 HydrophobicContact CD1-CG 4.25Å; L38-L105 HydrophobicContact CD1-CD1 3.62Å
39N83.9Confident81.8Confident0 Ų042.4 Ų42.40%022%0.219CC..Hα-helixtrans-67.3-37.1176.2-160.859000111.9L35 Q36 V41 L42 S43 Q49 M51 I53 R64 M65L35-N39 PolarHBondContact O-N 3.46Å; Q36-N39 CarbonylContact O-C 3.26Å; Q36-N39 PolarHBondContact O-N 3.3Å; N39-V41 VanDerWaalsContact C-N 3.33Å; N39-V41 PolarHBondContact O-N 3.05Å; N39-L42 CarbonylContact O-C 3.54Å; N39-L42 PolarHBondContact O-N 2.86Å; N39-L42 VanDerWaalsContact O-N 3.11Å; N39-S43 WeakPolarHBondContact O-CB 3.36Å; N39-S43 PolarHBondContact O-N 2.79Å; N39-S43 PolarHBondContact O-OG 3.47Å; N39-Q49 PolarHBondContact ND2-O 2.89Å; N39-Q49 PolarHBondContact OD1-O 2.88Å; N39-M51 PolarHBondContact ND2-O 3.05Å; N39-I53 HydrophobicContact CB-CD1 3.92Å; N39-I53 HydrophobicContact CB-CG1 4.13Å; N39-R64 PolarHBondContact OD1-NH1 3.34Å; N39-R64 PolarHBondContact OD1-NH2 2.9Å; N39-M65 HydrophobicContact CB-CE 3.56Å
40D82.8Confident81.3Confident42 Ų4244.8 Ų44.823%0.22524%0.242CC..Hα-helixtrans-64.4-38176.7-58.4-22.2000111.6K19 Q36 I37 S43 E44K19-D40 IonicContact NZ-OD2 2.71Å; K19-D40 PolarHBondContact NZ-OD2 3.17Å; Q36-D40 PolarHBondContact NE2-OD1 3.02Å; Q36-D40 PolarHBondContact O-N 2.94Å; I37-D40 PolarHBondContact O-N 3.13Å; D40-S43 WeakPolarHBondContact CA-OG 3.47Å; D40-S43 PolarHBondContact O-OG 2.87Å; D40-E44 PolarHBondContact O-N 3.47Å
41V84.4Confident80.9Confident1 Ų142.6 Ų42.61%0.00623%0.233CC..Hα-helixtrans-68-36.2172172.90000111.5L12 F17 I37 L38 N39 I45 L102 L105 L106L12-V41 HydrophobicContact CD2-CG2 3.78Å; F17-V41 HydrophobicContact CD1-CG2 4.4Å; F17-V41 HydrophobicContact CE1-CB 4.33Å; F17-V41 HydrophobicContact CE1-CG2 3.91Å; F17-V41 HydrophobicContact CE2-CG2 4.43Å; F17-V41 HydrophobicContact CZ-CB 4.26Å; F17-V41 HydrophobicContact CZ-CG1 4.23Å; F17-V41 HydrophobicContact CZ-CG2 3.92Å; I37-V41 WeakPolarHBondContact O-CG2 3.32Å; I37-V41 PolarHBondContact O-N 3.3Å; L38-V41 PolarHBondContact O-N 3.47Å; N39-V41 VanDerWaalsContact C-N 3.33Å; N39-V41 PolarHBondContact O-N 3.05Å; V41-I45 HydrophobicContact CG1-CD1 4.45Å; V41-I45 WeakPolarHBondContact O-CG1 3.34Å; V41-I45 PolarHBondContact O-N 2.85Å; V41-L102 HydrophobicContact CB-CD2 4.32Å; V41-L102 HydrophobicContact CG2-CD2 4.06Å; V41-L105 HydrophobicContact CG1-CB 3.91Å; V41-L105 HydrophobicContact CG1-CD1 4Å; V41-L106 HydrophobicContact CG1-CD2 4.15Å; V41-L106 HydrophobicContact CG2-CD2 4.19Å
42L82.9Confident80.5Confident0 Ų042.3 Ų42.30%023%0.227CC..Hα-helixtrans-73.5-33.9175.2-71.2173000112.9L38 N39 E44 I45 D46 M65 L68 L69 L72 L105L38-L42 HydrophobicContact CD1-CD1 4.38Å; L38-L42 HydrophobicContact CD1-CG 4.45Å; L38-L42 HydrophobicContact CG-CD1 4.23Å; L38-L42 WeakPolarHBondContact O-CG 3.33Å; L38-L42 PolarHBondContact O-N 3.28Å; N39-L42 CarbonylContact O-C 3.54Å; N39-L42 PolarHBondContact O-N 2.86Å; N39-L42 VanDerWaalsContact O-N 3.11Å; L42-E44 VanDerWaalsContact C-N 3.33Å; L42-I45 PolarHBondContact O-N 3.29Å; L42-I45 VanDerWaalsContact O-N 3.1Å; L42-D46 PolarHBondContact O-N 3.49Å; L42-M65 HydrophobicContact CD1-CE 4.27Å; L42-M65 HydrophobicContact CD1-CG 4Å; L42-M65 HydrophobicContact CD1-SD 4.48Å; L42-L68 HydrophobicContact CB-CD2 4.2Å; L42-L68 HydrophobicContact CD2-CD2 3.93Å; L42-L68 HydrophobicContact CD2-CG 4.47Å; L42-L68 HydrophobicContact CG-CD2 4.48Å; L42-L69 HydrophobicContact CD2-CD2 4.48Å; L42-L72 HydrophobicContact CD2-CD1 4.39Å; L42-L105 HydrophobicContact CD2-CD1 3.69Å; L42-L105 HydrophobicContact CD2-CD2 4.07Å; L42-L105 HydrophobicContact CG-CD1 4.12Å
43S83.3Confident80.2Confident28 Ų2838.7 Ų38.720%0.19621%0.209CC..Hα-helixtrans-70.4-30.9176.859.50000112.5N39 D40 I45 D46 P47N39-S43 WeakPolarHBondContact O-CB 3.36Å; N39-S43 PolarHBondContact O-N 2.79Å; N39-S43 PolarHBondContact O-OG 3.47Å; D40-S43 WeakPolarHBondContact CA-OG 3.47Å; D40-S43 PolarHBondContact O-OG 2.87Å; S43-I45 VanDerWaalsContact C-N 3.26Å; S43-I45 PolarHBondContact O-N 2.66Å; S43-D46 WeakPolarHBondContact CA-O 3.43Å; S43-D46 CarbonylContact O-C 3.58Å; S43-D46 VanDerWaalsContact O-C 3.26Å; S43-P47 WeakPolarHBondContact O-CA 3.43Å
44E83.6Confident79.8Confident70 Ų7043.8 Ų43.833%0.32723%0.225SC..Hα-helixtrans-68.1-27.6170-175.660.6-156.800111.8P16 F17 D40 L42 K113P16-E44 HydrophobicContact CB-CG 4.49Å; P16-E44 HydrophobicContact CG-CG 3.6Å; P16-E44 WeakPolarHBondContact CG-OE1 3.5Å; F17-E44 HydrophobicContact CE1-CB 3.59Å; F17-E44 HydrophobicContact CE1-CG 3.78Å; F17-E44 HydrophobicContact CZ-CB 3.84Å; F17-E44 HydrophobicContact CZ-CG 3.74Å; D40-E44 PolarHBondContact O-N 3.47Å; L42-E44 VanDerWaalsContact C-N 3.33Å; E44-K113 WeakPolarHBondContact O-CE 3.37Å; E44-K113 WeakPolarHBondContact OE1-CE 3.44Å; E44-K113 IonicContact OE1-NZ 3.62Å; E44-K113 PolarHBondContact OE1-NZ 3.48Å
45I83.1Confident79.3Confident7 Ų751.5 Ų51.54%0.03626%0.261CS..Hα-helixtrans-83.9-42.1176.9-68.9168000112V41 L42 S43 L72 L105 L112 A116V41-I45 HydrophobicContact CG1-CD1 4.45Å; V41-I45 WeakPolarHBondContact O-CG1 3.34Å; V41-I45 PolarHBondContact O-N 2.85Å; L42-I45 PolarHBondContact O-N 3.29Å; L42-I45 VanDerWaalsContact O-N 3.1Å; S43-I45 VanDerWaalsContact C-N 3.26Å; S43-I45 PolarHBondContact O-N 2.66Å; I45-L72 HydrophobicContact CG2-CD1 4.28Å; I45-L72 HydrophobicContact CG2-CD2 4.28Å; I45-L105 HydrophobicContact CD1-CB 4.29Å; I45-L105 HydrophobicContact CD1-CD2 3.88Å; I45-L112 HydrophobicContact CD1-CB 4.15Å; I45-L112 HydrophobicContact CD1-CD1 4.23Å; I45-L112 HydrophobicContact CG1-CB 4.47Å; I45-L112 HydrophobicContact CG2-CB 4.14Å; I45-A116 HydrophobicContact CG2-CB 3.93Å; I45-A116 WeakPolarHBondContact O-CB 3.44Å
46D80.6Confident78.9Confident25 Ų2552.4 Ų52.413%0.13427%0.265CS..  trans-134.8108.7173.9173.522.5000110L42 S43 K48 Q49 L68 A116L42-D46 PolarHBondContact O-N 3.49Å; S43-D46 WeakPolarHBondContact CA-O 3.43Å; S43-D46 CarbonylContact O-C 3.58Å; S43-D46 VanDerWaalsContact O-C 3.26Å; D46-K48 PolarHBondContact O-N 3.45Å; D46-K48 WeakPolarHBondContact OD1-CB 3.22Å; D46-K48 WeakPolarHBondContact OD1-CG 3.26Å; D46-K48 PolarHBondContact OD1-N 2.85Å; D46-Q49 HydrophobicContact CB-CG 4.16Å; D46-Q49 PolarHBondContact O-N 3.35Å; D46-Q49 PolarHBondContact OD2-NE2 2.89Å; D46-L68 HydrophobicContact CB-CD1 4.49Å; D46-L68 HydrophobicContact CB-CD2 4.32Å; D46-A116 HydrophobicContact CB-CB 4.25Å
47P80.6Confident78.6Confident106 Ų10656.6 Ų56.669%0.68829%0.286SS*.G310 helixtrans-63.8-13-175.726.1-35000113.8S43 Q49 A50S43-P47 WeakPolarHBondContact O-CA 3.43Å; P47-Q49 PolarHBondContact O-N 2.98Å; P47-A50 PolarHBondContact O-N 3.4Å
48K75.7Confident78.2Confident136 Ų13659.8 Ų59.859%0.59131%0.307SS*.G310 helixtrans-66.8-11171.6-63.2-180174.7-174.50113.8D46D46-K48 PolarHBondContact O-N 3.45Å; D46-K48 WeakPolarHBondContact OD1-CB 3.22Å; D46-K48 WeakPolarHBondContact OD1-CG 3.26Å; D46-K48 PolarHBondContact OD1-N 2.85Å
49Q71.6Confident77.8Confident20 Ų2067.4 Ų67.49%0.09334%0.343CS..G310 helixtrans-98.11.2-179.4-50.4-47.8-4100114.2N39 D46 P47 M51 L68N39-Q49 PolarHBondContact ND2-O 2.89Å; N39-Q49 PolarHBondContact OD1-O 2.88Å; D46-Q49 HydrophobicContact CB-CG 4.16Å; D46-Q49 PolarHBondContact O-N 3.35Å; D46-Q49 PolarHBondContact OD2-NE2 2.89Å; P47-Q49 PolarHBondContact O-N 2.98Å; Q49-M51 PolarHBondContact O-N 3.5Å; Q49-L68 HydrophobicContact CG-CD2 3.56Å
50A73.6Confident77.5Confident70 Ų7073 Ų7358%0.57937%0.369SS*.  trans-68.988.4179.100000111.3P47P47-A50 PolarHBondContact O-N 3.4Å
51M72.8Confident77.3Confident74 Ų7471.3 Ų71.337%0.36536%0.36SS..  trans-145.2152.7177.4-64.5-172.3-65.900109.3N39 Q49 E56N39-M51 PolarHBondContact ND2-O 3.05Å; Q49-M51 PolarHBondContact O-N 3.5Å; M51-E56 WeakPolarHBondContact CE-OE1 3.44Å
52D73.7Confident77Confident64 Ų6471.8 Ų71.834%0.34236%0.363SS..  trans-79.4131168.9-170.2-29.1000108.7Q36 R54 E55Q36-D52 PolarHBondContact OE1-OD1 3.25Å; D52-R54 PolarHBondContact O-N 3.47Å; D52-R54 VanDerWaalsContact O-N 3.12Å; D52-R54 VanDerWaalsContact OD1-CB 3.27Å; D52-R54 WeakPolarHBondContact OD1-CB 3.33Å; D52-R54 WeakPolarHBondContact OD1-CD 3.41Å; D52-R54 VanDerWaalsContact OD1-CG 3.25Å; D52-R54 WeakPolarHBondContact OD1-CG 3.47Å; D52-R54 PolarHBondContact OD1-N 3.18Å; D52-E55 HydrophobicContact CB-CG 4.33Å; D52-E55 PolarHBondContact O-N 2.95Å; D52-E55 VanDerWaalsContact O-N 3.08Å
53I73.5Confident76.8Confident16 Ų1679.6 Ų79.68%0.08240%0.397CS..G310 helixtrans-62.4-19.1178.4-64.5179.3000111.6L35 N39 E55 T61 M65L35-I53 HydrophobicContact CB-CD1 3.71Å; L35-I53 VanDerWaalsContact O-CD1 3.25Å; L35-I53 WeakPolarHBondContact O-CD1 3.41Å; N39-I53 HydrophobicContact CB-CD1 3.92Å; N39-I53 HydrophobicContact CB-CG1 4.13Å; I53-E55 PolarHBondContact O-N 3.32Å; I53-T61 HydrophobicContact CD1-CG2 4.46Å; I53-T61 HydrophobicContact CG1-CG2 4.22Å; I53-T61 HydrophobicContact CG2-CG2 4.29Å; I53-M65 HydrophobicContact CD1-CE 4.03Å
54R72.8Confident76.8Confident190 Ų19080.1 Ų80.172%0.71740%0.395SS*.G310 helixtrans-67.4-18.9174.7-66.7168.3173.9-162.6-2.7114M32 D52M32-R54 HydrophobicContact CE-CB 4.48Å; M32-R54 HydrophobicContact CE-CG 3.57Å; M32-R54 HydrophobicContact SD-CG 4.48Å; D52-R54 PolarHBondContact O-N 3.47Å; D52-R54 VanDerWaalsContact O-N 3.12Å; D52-R54 VanDerWaalsContact OD1-CB 3.27Å; D52-R54 WeakPolarHBondContact OD1-CB 3.33Å; D52-R54 WeakPolarHBondContact OD1-CD 3.41Å; D52-R54 VanDerWaalsContact OD1-CG 3.25Å; D52-R54 WeakPolarHBondContact OD1-CG 3.47Å; D52-R54 PolarHBondContact OD1-N 3.18Å
55E73.6Confident76.6Confident164 Ų16476.9 Ų76.977%0.76638%0.38SS*.G310 helixtrans-93.7-12.2-177.4-61.2-177.4156.700113.1D52 I53D52-E55 HydrophobicContact CB-CG 4.33Å; D52-E55 PolarHBondContact O-N 2.95Å; D52-E55 VanDerWaalsContact O-N 3.08Å; I53-E55 PolarHBondContact O-N 3.32Å
56E74Confident76.3Confident39 Ų3978 Ų7818%0.18239%0.388CS..SBendtrans-107.5152.6-179.9-74.2-172.6136.400112.6M51 T61 R64M51-E56 WeakPolarHBondContact CE-OE1 3.44Å; E56-T61 WeakPolarHBondContact CB-OG1 3.37Å; E56-T61 WeakPolarHBondContact OE2-CA 3.37Å; E56-T61 WeakPolarHBondContact OE2-CB 3.23Å; E56-T61 PolarHBondContact OE2-OG1 2.78Å; E56-R64 WeakPolarHBondContact OE1-CD 3.06Å; E56-R64 IonicContact OE1-CZ 2.74Å; E56-R64 IonicContact OE1-NE 2.63Å; E56-R64 PolarHBondContact OE1-NE 3.5Å; E56-R64 IonicContact OE1-NH2 3.01Å; E56-R64 IonicContact OE2-CZ 3.73Å; E56-R64 IonicContact OE2-NE 2.82Å; E56-R64 PolarHBondContact OE2-NE 3.23Å; E56-R64 VanDerWaalsContact OE2-NE 3.09Å; E56-R64 IonicContact OE2-NH2 3.81Å; E56-R64 PolarHBondContact OE2-NH2 2.95Å
57M77.2Confident76.3Confident128 Ų12880 Ų8063%0.63140%0.404SS*.  trans-70.4137.3166.8-69.3-69.8169.100110.1E59 Q60 T61M57-E59 PolarHBondContact O-N 2.92Å; M57-Q60 HydrophobicContact CB-CB 4.41Å; M57-Q60 HydrophobicContact CB-CG 4.09Å; M57-Q60 WeakPolarHBondContact O-CA 3.38Å; M57-Q60 WeakPolarHBondContact O-CB 3.49Å; M57-Q60 PolarHBondContact O-N 3.32Å; M57-T61 PolarHBondContact O-N 2.6Å; M57-T61 VanDerWaalsContact O-N 3.12Å
58P73.9Confident76.3Confident75 Ų7575.2 Ų75.249%0.48737%0.372SS..Hα-helixtrans-53.6-35.9-174.3-29.735.1000114.9V62 V91P58-V62 WeakPolarHBondContact O-CB 3.36Å; P58-V62 VanDerWaalsContact O-CG2 3.26Å; P58-V62 WeakPolarHBondContact O-CG2 3.4Å; P58-V62 PolarHBondContact O-N 3.41Å; P58-V91 HydrophobicContact CB-CG1 4.31Å
59E75.8Confident76.5Confident160 Ų16069 Ų6975%0.74835%0.346SS*.Hα-helixtrans-68-33.4176.5-59.8-171.1162.800113.1M57 K63M57-E59 PolarHBondContact O-N 2.92Å; E59-K63 WeakPolarHBondContact O-CB 3.42Å; E59-K63 PolarHBondContact O-N 3.45Å
60Q77.7Confident76.8Confident118 Ų11870 Ų7055%0.55136%0.361SS*.Hα-helixtrans-73.5-45.8178.2-64.9176.9-1200110.5M57 V62 K63 R64M57-Q60 HydrophobicContact CB-CB 4.41Å; M57-Q60 HydrophobicContact CB-CG 4.09Å; M57-Q60 WeakPolarHBondContact O-CA 3.38Å; M57-Q60 WeakPolarHBondContact O-CB 3.49Å; M57-Q60 PolarHBondContact O-N 3.32Å; Q60-V62 VanDerWaalsContact C-N 3.31Å; Q60-V62 PolarHBondContact O-N 2.69Å; Q60-K63 PolarHBondContact O-N 3.33Å; Q60-R64 WeakPolarHBondContact O-CB 3.36Å; Q60-R64 PolarHBondContact O-N 2.89Å
61T78.7Confident77.1Confident6 Ų670.2 Ų70.24%0.03735%0.351CS..Hα-helixtrans-56.4-44.9172.2-52.40000111.4I53 E56 M57 K63 R64 M65I53-T61 HydrophobicContact CD1-CG2 4.46Å; I53-T61 HydrophobicContact CG1-CG2 4.22Å; I53-T61 HydrophobicContact CG2-CG2 4.29Å; E56-T61 WeakPolarHBondContact CB-OG1 3.37Å; E56-T61 WeakPolarHBondContact OE2-CA 3.37Å; E56-T61 WeakPolarHBondContact OE2-CB 3.23Å; E56-T61 PolarHBondContact OE2-OG1 2.78Å; M57-T61 PolarHBondContact O-N 2.6Å; M57-T61 VanDerWaalsContact O-N 3.12Å; T61-K63 PolarHBondContact O-N 3.46Å; T61-R64 PolarHBondContact O-N 3.05Å; T61-M65 HydrophobicContact CG2-CE 4.23Å; T61-M65 HydrophobicContact CG2-CG 4.38Å; T61-M65 HydrophobicContact CG2-SD 4.19Å; T61-M65 WeakPolarHBondContact O-CB 3.45Å; T61-M65 WeakPolarHBondContact O-CG 3.28Å; T61-M65 PolarHBondContact O-N 3.02Å
62V78.3Confident77.5Confident12 Ų1266.7 Ų66.77%0.07333%0.334CS..Hα-helixtrans-65.9-38.3178.3164.70000112P58 Q60 S66 R87 L90 V91P58-V62 WeakPolarHBondContact O-CB 3.36Å; P58-V62 VanDerWaalsContact O-CG2 3.26Å; P58-V62 WeakPolarHBondContact O-CG2 3.4Å; P58-V62 PolarHBondContact O-N 3.41Å; Q60-V62 VanDerWaalsContact C-N 3.31Å; Q60-V62 PolarHBondContact O-N 2.69Å; V62-S66 WeakPolarHBondContact O-CB 3.3Å; V62-S66 PolarHBondContact O-N 3.09Å; V62-S66 PolarHBondContact O-OG 3.41Å; V62-R87 HydrophobicContact CG1-CB 4.38Å; V62-R87 HydrophobicContact CG1-CG 4.47Å; V62-L90 HydrophobicContact CG1-CB 4.45Å; V62-L90 HydrophobicContact CG1-CD2 4.27Å; V62-L90 HydrophobicContact CG2-CB 4.1Å; V62-L90 HydrophobicContact CG2-CD2 4.25Å; V62-L90 HydrophobicContact CG2-CG 4.01Å; V62-V91 HydrophobicContact CB-CG2 4.24Å; V62-V91 HydrophobicContact CG1-CG2 4.25Å; V62-V91 HydrophobicContact CG2-CB 4.32Å; V62-V91 HydrophobicContact CG2-CG2 3.7Å
63K79.5Confident77.8Confident164 Ų16470.7 Ų70.771%0.71335%0.348SS*.Hα-helixtrans-64.3-43173.4-172.9177.9179.1-1780111.6E59 Q60 T61 S67E59-K63 WeakPolarHBondContact O-CB 3.42Å; E59-K63 PolarHBondContact O-N 3.45Å; Q60-K63 PolarHBondContact O-N 3.33Å; T61-K63 PolarHBondContact O-N 3.46Å; K63-S67 WeakPolarHBondContact O-CB 3.5Å; K63-S67 PolarHBondContact O-N 2.87Å
64R82.8Confident78.1Confident39 Ų3971 Ų7115%0.14735%0.349CS..Hα-helixtrans-63.7-54.2177.2-177.5173.563.277.4-5.2111.9N39 E56 Q60 T61 S66 S67 L68N39-R64 PolarHBondContact OD1-NH1 3.34Å; N39-R64 PolarHBondContact OD1-NH2 2.9Å; E56-R64 WeakPolarHBondContact OE1-CD 3.06Å; E56-R64 IonicContact OE1-CZ 2.74Å; E56-R64 IonicContact OE1-NE 2.63Å; E56-R64 PolarHBondContact OE1-NE 3.5Å; E56-R64 IonicContact OE1-NH2 3.01Å; E56-R64 IonicContact OE2-CZ 3.73Å; E56-R64 IonicContact OE2-NE 2.82Å; E56-R64 PolarHBondContact OE2-NE 3.23Å; E56-R64 VanDerWaalsContact OE2-NE 3.09Å; E56-R64 IonicContact OE2-NH2 3.81Å; E56-R64 PolarHBondContact OE2-NH2 2.95Å; Q60-R64 WeakPolarHBondContact O-CB 3.36Å; Q60-R64 PolarHBondContact O-N 2.89Å; T61-R64 PolarHBondContact O-N 3.05Å; R64-S66 PolarHBondContact O-N 3.38Å; R64-S67 WeakPolarHBondContact O-CB 3.46Å; R64-S67 PolarHBondContact O-N 3.17Å; R64-L68 PolarHBondContact O-N 3.3Å
65M79.2Confident78.2Confident2 Ų270.7 Ų70.71%0.0135%0.352CS..Hα-helixtrans-59.4-43.8175.9-74.3-173.9165.200112.3L38 N39 L42 I53 T61 S67 L68 L69 L90L38-M65 HydrophobicContact CD2-CE 4.36Å; L38-M65 HydrophobicContact CD2-SD 4.1Å; L38-M65 HydrophobicContact CG-CE 4.27Å; N39-M65 HydrophobicContact CB-CE 3.56Å; L42-M65 HydrophobicContact CD1-CE 4.27Å; L42-M65 HydrophobicContact CD1-CG 4Å; L42-M65 HydrophobicContact CD1-SD 4.48Å; I53-M65 HydrophobicContact CD1-CE 4.03Å; T61-M65 HydrophobicContact CG2-CE 4.23Å; T61-M65 HydrophobicContact CG2-CG 4.38Å; T61-M65 HydrophobicContact CG2-SD 4.19Å; T61-M65 WeakPolarHBondContact O-CB 3.45Å; T61-M65 WeakPolarHBondContact O-CG 3.28Å; T61-M65 PolarHBondContact O-N 3.02Å; M65-S67 VanDerWaalsContact C-N 3.35Å; M65-S67 PolarHBondContact O-N 3.09Å; M65-L68 PolarHBondContact O-N 3.3Å; M65-L69 WeakPolarHBondContact O-CB 3.29Å; M65-L69 VanDerWaalsContact O-CG 3.3Å; M65-L69 WeakPolarHBondContact O-CG 3.25Å; M65-L69 PolarHBondContact O-N 2.66Å; M65-L90 HydrophobicContact CB-CD2 4.01Å; M65-L90 HydrophobicContact SD-CD1 4.46Å; M65-L90 HydrophobicContact SD-CD2 4.48Å
66S77.5Confident78.1Confident31 Ų3165.2 Ų65.222%0.21733%0.331CS..Hα-helixtrans-65.1-37.5178.3-61.30000112.3V62 R64 G70V62-S66 WeakPolarHBondContact O-CB 3.3Å; V62-S66 PolarHBondContact O-N 3.09Å; V62-S66 PolarHBondContact O-OG 3.41Å; R64-S66 PolarHBondContact O-N 3.38Å; S66-G70 PolarHBondContact O-N 2.82Å
67S80.2Confident77.6Confident67 Ų6767.6 Ų67.647%0.46935%0.35SS..Hα-helixtrans-62.3-47.9174-1730000111.2K63 R64 M65 G70 M71K63-S67 WeakPolarHBondContact O-CB 3.5Å; K63-S67 PolarHBondContact O-N 2.87Å; R64-S67 WeakPolarHBondContact O-CB 3.46Å; R64-S67 PolarHBondContact O-N 3.17Å; M65-S67 VanDerWaalsContact C-N 3.35Å; M65-S67 PolarHBondContact O-N 3.09Å; S67-G70 WeakPolarHBondContact O-CA 3.4Å; S67-G70 PolarHBondContact O-N 2.78Å; S67-M71 WeakPolarHBondContact O-CG 3.48Å; S67-M71 PolarHBondContact O-N 2.77Å
68L79.6Confident76.7Confident4 Ų463.7 Ų63.72%0.02134%0.343CS..Hα-helixtrans-64.5-45.2177.6179.758.1000112.6L42 D46 Q49 R64 M65 G70 M71 L72L42-L68 HydrophobicContact CB-CD2 4.2Å; L42-L68 HydrophobicContact CD2-CD2 3.93Å; L42-L68 HydrophobicContact CD2-CG 4.47Å; L42-L68 HydrophobicContact CG-CD2 4.48Å; D46-L68 HydrophobicContact CB-CD1 4.49Å; D46-L68 HydrophobicContact CB-CD2 4.32Å; Q49-L68 HydrophobicContact CG-CD2 3.56Å; R64-L68 PolarHBondContact O-N 3.3Å; M65-L68 PolarHBondContact O-N 3.3Å; L68-G70 PolarHBondContact O-N 2.6Å; L68-M71 HydrophobicContact CB-CE 4.32Å; L68-M71 HydrophobicContact CD1-CE 3.96Å; L68-M71 PolarHBondContact O-N 3.17Å; L68-M71 VanDerWaalsContact O-N 3.1Å; L68-L72 HydrophobicContact CD1-CD1 4.25Å; L68-L72 HydrophobicContact CD1-CG 4.12Å; L68-L72 HydrophobicContact CG-CD1 4.1Å; L68-L72 HydrophobicContact CG-CG 4.41Å; L68-L72 WeakPolarHBondContact O-CB 3.28Å; L68-L72 WeakPolarHBondContact O-CG 3.41Å; L68-L72 PolarHBondContact O-N 3.09Å
69L80.3Confident75.6Confident6 Ų668.7 Ų68.73%0.03137%0.365CS..Hα-helixtrans-59.8-34.8174.5-70.6171.4000111.6L42 M65 L72 K73 Y74 I101 L105L42-L69 HydrophobicContact CD2-CD2 4.48Å; M65-L69 WeakPolarHBondContact O-CB 3.29Å; M65-L69 VanDerWaalsContact O-CG 3.3Å; M65-L69 WeakPolarHBondContact O-CG 3.25Å; M65-L69 PolarHBondContact O-N 2.66Å; L69-L72 PolarHBondContact O-N 2.65Å; L69-K73 PolarHBondContact O-N 2.93Å; L69-K73 VanDerWaalsContact O-N 3.11Å; L69-Y74 HydrophobicContact CD2-CD1 4.49Å; L69-Y74 HydrophobicContact CD2-CG 4.37Å; L69-Y74 PolarHBondContact O-N 3.43Å; L69-I101 HydrophobicContact CD1-CD1 4.21Å; L69-I101 HydrophobicContact CD1-CG2 4.31Å; L69-I101 HydrophobicContact CD2-CG2 3.92Å; L69-L105 HydrophobicContact CD2-CD2 4.36Å
70G78.8Confident74.6Confident40 Ų4065.9 Ų65.941%0.41235%0.351SS..Hα-helixtrans-64.9-43.3171.200000113.8S66 S67 L68 K73S66-G70 PolarHBondContact O-N 2.82Å; S67-G70 WeakPolarHBondContact O-CA 3.4Å; S67-G70 PolarHBondContact O-N 2.78Å; L68-G70 PolarHBondContact O-N 2.6Å; G70-K73 WeakPolarHBondContact O-CD 3.3Å; G70-K73 PolarHBondContact O-N 2.99Å; G70-K73 VanDerWaalsContact O-N 3.08Å
71M79.8Confident73.3Confident75 Ų7565.3 Ų65.337%0.36936%0.36SS..Hα-helixtrans-64.6-39.4174-70-171.6-73.200112.1S67 L68 K73 R115S67-M71 WeakPolarHBondContact O-CG 3.48Å; S67-M71 PolarHBondContact O-N 2.77Å; L68-M71 HydrophobicContact CB-CE 4.32Å; L68-M71 HydrophobicContact CD1-CE 3.96Å; L68-M71 PolarHBondContact O-N 3.17Å; L68-M71 VanDerWaalsContact O-N 3.1Å; M71-K73 PolarHBondContact O-N 3.2Å; M71-R115 PolarHBondContact O-NE 3.38Å
72L80.8Confident72.4Confident1 Ų169.3 Ų69.31%0.00538%0.381CS..THydrogen-bonded Turntrans-69.8-9.5173.3-64.8176.1000113.1L42 I45 L68 L69 Y74 W104 L105 L112 R115 A116L42-L72 HydrophobicContact CD2-CD1 4.39Å; I45-L72 HydrophobicContact CG2-CD1 4.28Å; I45-L72 HydrophobicContact CG2-CD2 4.28Å; L68-L72 HydrophobicContact CD1-CD1 4.25Å; L68-L72 HydrophobicContact CD1-CG 4.12Å; L68-L72 HydrophobicContact CG-CD1 4.1Å; L68-L72 HydrophobicContact CG-CG 4.41Å; L68-L72 WeakPolarHBondContact O-CB 3.28Å; L68-L72 WeakPolarHBondContact O-CG 3.41Å; L68-L72 PolarHBondContact O-N 3.09Å; L69-L72 PolarHBondContact O-N 2.65Å; L72-Y74 VanDerWaalsContact C-N 3.31Å; L72-Y74 PolarHBondContact O-N 2.88Å; L72-W104 HydrophobicContact CB-CH2 4.12Å; L72-W104 HydrophobicContact CB-CZ3 4.26Å; L72-L105 HydrophobicContact CD1-CD2 4.11Å; L72-L112 HydrophobicContact CB-CD2 4.36Å; L72-L112 HydrophobicContact CD2-CB 4.36Å; L72-L112 HydrophobicContact CD2-CD2 4.13Å; L72-R115 HydrophobicContact CD2-CB 4.27Å; L72-R115 HydrophobicContact CD2-CG 4.27Å; L72-R115 WeakPolarHBondContact O-CD 3.35Å; L72-R115 PolarHBondContact O-NE 2.84Å; L72-R115 VanDerWaalsContact O-NE 3.15Å; L72-R115 PolarHBondContact O-NH1 3.03Å; L72-A116 HydrophobicContact CD2-CB 4.31Å
73K79.3Confident71.8Confident147 Ų14773.2 Ų73.264%0.63941%0.405SS*.THydrogen-bonded Turntrans56.439.1-174.3-59-67.8-179.4-174.10113.2L69 G70 M71 K75L69-K73 PolarHBondContact O-N 2.93Å; L69-K73 VanDerWaalsContact O-N 3.11Å; G70-K73 WeakPolarHBondContact O-CD 3.3Å; G70-K73 PolarHBondContact O-N 2.99Å; G70-K73 VanDerWaalsContact O-N 3.08Å; M71-K73 PolarHBondContact O-N 3.2Å; K73-K75 PolarHBondContact O-N 3.49Å
74Y80.3Confident71.3Confident24 Ų2469.6 Ų69.69%0.09440%0.4CS..  trans-61.1134167.4-178.2-115000110.2L69 L72 P76 P77 F86 P100 I101 W104L69-Y74 HydrophobicContact CD2-CD1 4.49Å; L69-Y74 HydrophobicContact CD2-CG 4.37Å; L69-Y74 PolarHBondContact O-N 3.43Å; L72-Y74 VanDerWaalsContact C-N 3.31Å; L72-Y74 PolarHBondContact O-N 2.88Å; Y74-P76 HydrophobicContact CE1-CB 4.03Å; Y74-P77 VanDerWaalsContact OH-CD 3.24Å; Y74-P77 WeakPolarHBondContact OH-CD 3.2Å; Y74-F86 HydrophobicContact CE1-CE2 4.46Å; Y74-F86 HydrophobicContact CE1-CZ 4.45Å; Y74-P100 PolarHBondContact OH-O 3.34Å; Y74-I101 HydrophobicContact CD1-CG1 4.44Å; Y74-I101 HydrophobicContact CE1-CD1 4.45Å; Y74-I101 HydrophobicContact CE1-CG1 3.6Å; Y74-I101 PolarHBondContact OH-N 3.26Å; Y74-W104 HydrophobicContact CD2-CB 4.27Å; Y74-W104 AromaticContact CD2-CD2 3.44Å; Y74-W104 HydrophobicContact CD2-CD2 3.44Å; Y74-W104 VanDerWaalsContact CD2-CD2 3.44Å; Y74-W104 AromaticContact CD2-CE2 3.93Å; Y74-W104 AromaticContact CD2-CE3 3.42Å; Y74-W104 HydrophobicContact CD2-CE3 3.42Å; Y74-W104 VanDerWaalsContact CD2-CE3 3.42Å; Y74-W104 AromaticContact CD2-CG 3.82Å; Y74-W104 HydrophobicContact CD2-CG 3.82Å; Y74-W104 HydrophobicContact CD2-CH2 4.31Å; Y74-W104 HydrophobicContact CD2-CZ2 4.34Å; Y74-W104 AromaticContact CD2-CZ3 3.88Å; Y74-W104 HydrophobicContact CD2-CZ3 3.88Å; Y74-W104 HydrophobicContact CE2-CB 3.77Å; Y74-W104 AromaticContact CE2-CD2 3.9Å; Y74-W104 HydrophobicContact CE2-CD2 3.9Å; Y74-W104 HydrophobicContact CE2-CE3 4.09Å; Y74-W104 AromaticContact CE2-CG 3.76Å; Y74-W104 HydrophobicContact CE2-CG 3.76Å; Y74-W104 HydrophobicContact CG-CE3 4.23Å; Y74-W104 HydrophobicContact CG-CZ3 4.31Å
75K75.5Confident70.7Confident182 Ų18269.7 Ų69.779%0.79141%0.407SS*.  trans-113.2117.2168.6-69.3-173.5176.9-174.70107.7K73K73-K75 PolarHBondContact O-N 3.49Å
76P71.6Confident70.5Confident50 Ų5071 Ų7133%0.32541%0.412SS..  trans-62.9134.2178.925.1-32.7000110.3Y74 G78 F80 F86Y74-P76 HydrophobicContact CE1-CB 4.03Å; P76-G78 PolarHBondContact O-N 3.04Å; P76-G78 VanDerWaalsContact O-N 3.09Å; P76-F80 HydrophobicContact CB-CD2 4.38Å; P76-F86 HydrophobicContact CB-CD2 3.97Å; P76-F86 HydrophobicContact CB-CE2 3.82Å; P76-F86 HydrophobicContact CG-CD2 4.38Å; P76-F86 HydrophobicContact CG-CE2 4.42Å
77P63.3Low70.3Confident88 Ų8876.4 Ų76.457%0.57143%0.428SS*.SBendtrans-75.8100.1-178.628.1-32.5000111Y74 P100Y74-P77 VanDerWaalsContact OH-CD 3.24Å; Y74-P77 WeakPolarHBondContact OH-CD 3.2Å; P77-P100 HydrophobicContact CG-CB 3.73Å; P77-P100 HydrophobicContact CG-CG 4.42Å
78G57.3Low70.1Confident47 Ų4779.7 Ų79.749%0.48544%0.436SS..SBendtrans154.1155173.400000111.9P76 F80P76-G78 PolarHBondContact O-N 3.04Å; P76-G78 VanDerWaalsContact O-N 3.09Å; G78-F80 PolarHBondContact O-N 3.46Å
79N51.3Low69.9Low179 Ų17979.9 Ų79.996%0.95744%0.439SS*.  trans-74.463168.8-76.7-1.5000110.1S81N79-S81 PolarHBondContact O-N 3.49Å
80F54.8Low69.9Low102 Ų10279.6 Ų79.645%0.44744%0.437SS..  trans-72.495.8169-66.6-80.4000108.1P76 G78 D82P76-F80 HydrophobicContact CB-CD2 4.38Å; G78-F80 PolarHBondContact O-N 3.46Å; F80-D82 PolarHBondContact O-N 3.47Å
81S50.8Low70Confident106 Ų10680.7 Ų80.774%0.74144%0.436SS*.  trans-57.5-28.9167.453.30000111.6N79N79-S81 PolarHBondContact O-N 3.49Å
82D59.1Low69.9Low90 Ų9080.9 Ų80.948%0.48144%0.441SS..  trans-110.597.1-165.9-62.811.3000110.4F80 S84 S85 F86F80-D82 PolarHBondContact O-N 3.47Å; D82-S84 PolarHBondContact O-N 2.84Å; D82-S84 VanDerWaalsContact O-N 3.08Å; D82-S85 WeakPolarHBondContact O-CB 3.49Å; D82-S85 PolarHBondContact O-N 3.23Å; D82-S85 PolarHBondContact O-OG 3.17Å; D82-F86 PolarHBondContact O-N 2.82Å
83V66Low69.8Low94 Ų9480.9 Ų80.957%0.5744%0.442SS*.Hα-helixtrans-51.5-30167.8176.30000111.3R87V83-R87 WeakPolarHBondContact O-CG 3.41Å; V83-R87 PolarHBondContact O-N 2.93Å; V83-R87 VanDerWaalsContact O-N 3.08Å
84S68.8Low69.9Low87 Ų8775.3 Ų75.361%0.60842%0.421SS*.Hα-helixtrans-61.3-41.8173.7-52.10000113.2D82 R87 Q88D82-S84 PolarHBondContact O-N 2.84Å; D82-S84 VanDerWaalsContact O-N 3.08Å; S84-R87 PolarHBondContact O-N 2.84Å; S84-Q88 WeakPolarHBondContact O-CB 3.5Å; S84-Q88 PolarHBondContact O-N 3.5Å
85S70.9Confident70Confident42 Ų4277.8 Ų77.829%0.29443%0.432SS..Hα-helixtrans-66.9-39.7179.7710000112D82 Q88 G89D82-S85 WeakPolarHBondContact O-CB 3.49Å; D82-S85 PolarHBondContact O-N 3.23Å; D82-S85 PolarHBondContact O-OG 3.17Å; S85-Q88 PolarHBondContact O-N 3.4Å; S85-G89 PolarHBondContact O-N 3.11Å
86F73.9Confident70.2Confident29 Ų2974 Ų7413%0.12743%0.427CS..Hα-helixtrans-65-43174.4179.3-98000111.6Y74 P76 D82 G89 L90 V97 I101Y74-F86 HydrophobicContact CE1-CE2 4.46Å; Y74-F86 HydrophobicContact CE1-CZ 4.45Å; P76-F86 HydrophobicContact CB-CD2 3.97Å; P76-F86 HydrophobicContact CB-CE2 3.82Å; P76-F86 HydrophobicContact CG-CD2 4.38Å; P76-F86 HydrophobicContact CG-CE2 4.42Å; D82-F86 PolarHBondContact O-N 2.82Å; F86-G89 PolarHBondContact O-N 2.86Å; F86-L90 PolarHBondContact O-N 2.63Å; F86-V97 HydrophobicContact CD2-CG1 3.85Å; F86-V97 HydrophobicContact CE2-CG1 3.65Å; F86-V97 HydrophobicContact CZ-CG1 4.46Å; F86-I101 HydrophobicContact CE2-CD1 4.18Å; F86-I101 HydrophobicContact CZ-CD1 4.06Å
87R73.5Confident70.7Confident145 Ų14572.4 Ų72.455%0.54742%0.416SS..Hα-helixtrans-60.8-47.9174-72.9176.5-177.4-166.93.5111.5V62 V83 S84 G89 L90 V91V62-R87 HydrophobicContact CG1-CB 4.38Å; V62-R87 HydrophobicContact CG1-CG 4.47Å; V83-R87 WeakPolarHBondContact O-CG 3.41Å; V83-R87 PolarHBondContact O-N 2.93Å; V83-R87 VanDerWaalsContact O-N 3.08Å; S84-R87 PolarHBondContact O-N 2.84Å; R87-G89 VanDerWaalsContact C-N 3.31Å; R87-G89 PolarHBondContact O-N 3.47Å; R87-L90 PolarHBondContact O-N 3.46Å; R87-L90 VanDerWaalsContact O-N 3.12Å; R87-V91 WeakPolarHBondContact O-CG2 3.37Å; R87-V91 PolarHBondContact O-N 3.18Å
88Q77.3Confident71.6Confident135 Ų13568.2 Ų68.263%0.63139%0.388SS*.Hα-helixtrans-61.9-38.7177.1-170.71781000112S84 S85 L90 V91 T92S84-Q88 WeakPolarHBondContact O-CB 3.5Å; S84-Q88 PolarHBondContact O-N 3.5Å; S85-Q88 PolarHBondContact O-N 3.4Å; Q88-L90 VanDerWaalsContact C-N 3.28Å; Q88-L90 PolarHBondContact O-N 3.31Å; Q88-V91 PolarHBondContact O-N 2.94Å; Q88-T92 WeakPolarHBondContact O-CB 3.3Å; Q88-T92 WeakPolarHBondContact O-CG2 3.44Å; Q88-T92 PolarHBondContact O-N 3.22Å; Q88-T92 PolarHBondContact O-OG1 2.98Å
89G75.7Confident72.9Confident8 Ų867 Ų678%0.08237%0.37CS..Hα-helixtrans-66.2-26.6174.800000114.2S85 F86 R87 T92 G93 S94S85-G89 PolarHBondContact O-N 3.11Å; F86-G89 PolarHBondContact O-N 2.86Å; R87-G89 VanDerWaalsContact C-N 3.31Å; R87-G89 PolarHBondContact O-N 3.47Å; G89-T92 PolarHBondContact O-OG1 2.88Å; G89-G93 PolarHBondContact O-N 2.98Å; G89-S94 VanDerWaalsContact CA-OG 3.31Å; G89-S94 WeakPolarHBondContact CA-OG 3.25Å; G89-S94 WeakPolarHBondContact O-CB 3.25Å; G89-S94 PolarHBondContact O-N 2.89Å; G89-S94 PolarHBondContact O-OG 3.42Å
90L79.2Confident74.5Confident0 Ų060.1 Ų60.10%034%0.335CS..Hα-helixtrans-84.6-37.2173.4-162.965.3000112.2L35 L38 V62 M65 F86 R87 Q88 T92 G93 I101L35-L90 HydrophobicContact CD2-CD1 4.11Å; L38-L90 HydrophobicContact CD2-CD1 3.96Å; V62-L90 HydrophobicContact CG1-CB 4.45Å; V62-L90 HydrophobicContact CG1-CD2 4.27Å; V62-L90 HydrophobicContact CG2-CB 4.1Å; V62-L90 HydrophobicContact CG2-CD2 4.25Å; V62-L90 HydrophobicContact CG2-CG 4.01Å; M65-L90 HydrophobicContact CB-CD2 4.01Å; M65-L90 HydrophobicContact SD-CD1 4.46Å; M65-L90 HydrophobicContact SD-CD2 4.48Å; F86-L90 PolarHBondContact O-N 2.63Å; R87-L90 PolarHBondContact O-N 3.46Å; R87-L90 VanDerWaalsContact O-N 3.12Å; Q88-L90 VanDerWaalsContact C-N 3.28Å; Q88-L90 PolarHBondContact O-N 3.31Å; L90-T92 VanDerWaalsContact C-N 3.28Å; L90-T92 PolarHBondContact O-N 3.27Å; L90-G93 PolarHBondContact O-N 3.5Å; L90-I101 HydrophobicContact CD1-CD1 4.28Å
91V80.4Confident75.8Confident64 Ų6455.2 Ų55.239%0.38831%0.314SS..Hα-helixtrans-58.4-41.4170.8172.70000111P58 V62 R87 Q88P58-V91 HydrophobicContact CB-CG1 4.31Å; V62-V91 HydrophobicContact CB-CG2 4.24Å; V62-V91 HydrophobicContact CG1-CG2 4.25Å; V62-V91 HydrophobicContact CG2-CB 4.32Å; V62-V91 HydrophobicContact CG2-CG2 3.7Å; R87-V91 WeakPolarHBondContact O-CG2 3.37Å; R87-V91 PolarHBondContact O-N 3.18Å; Q88-V91 PolarHBondContact O-N 2.94Å
92T79.1Confident77.4Confident79 Ų7950.2 Ų50.249%0.48528%0.278SS..THydrogen-bonded Turntrans-87.8-1.5-17653.60000114.4P31 Q88 G89 L90 S94P31-T92 WeakPolarHBondContact CB-O 3.43Å; Q88-T92 WeakPolarHBondContact O-CB 3.3Å; Q88-T92 WeakPolarHBondContact O-CG2 3.44Å; Q88-T92 PolarHBondContact O-N 3.22Å; Q88-T92 PolarHBondContact O-OG1 2.98Å; G89-T92 PolarHBondContact O-OG1 2.88Å; L90-T92 VanDerWaalsContact C-N 3.28Å; L90-T92 PolarHBondContact O-N 3.27Å; T92-S94 VanDerWaalsContact C-N 3.28Å; T92-S94 PolarHBondContact O-N 3.1Å
93G77.5Confident78.7Confident1 Ų147.4 Ų47.41%0.0126%0.262CS..THydrogen-bonded Turntrans61.932.3-178.300000114.1G89 L90 K95G89-G93 PolarHBondContact O-N 2.98Å; L90-G93 PolarHBondContact O-N 3.5Å; G93-K95 PolarHBondContact O-N 3.31Å
94S82.3Confident79.7Confident29 Ų2945.8 Ų45.820%0.20325%0.246CC..  trans-66.9124.1-171.466.80000112.6G89 T92 P96 V97 V98G89-S94 VanDerWaalsContact CA-OG 3.31Å; G89-S94 WeakPolarHBondContact CA-OG 3.25Å; G89-S94 WeakPolarHBondContact O-CB 3.25Å; G89-S94 PolarHBondContact O-N 2.89Å; G89-S94 PolarHBondContact O-OG 3.42Å; T92-S94 VanDerWaalsContact C-N 3.28Å; T92-S94 PolarHBondContact O-N 3.1Å; S94-P96 VanDerWaalsContact C-CD 3.43Å; S94-V97 PolarHBondContact O-N 2.97Å; S94-V97 WeakPolarHBondContact OG-CG2 3.29Å; S94-V98 PolarHBondContact O-N 3.3Å
95K81.8Confident80.4Confident77 Ų7741.6 Ų41.634%0.33522%0.217SC..Hα-helixtrans-43.9-47.2175.4-67.4-176.2175.9-172.70115.2D27 L34 G93 V97 V98 H99D27-K95 WeakPolarHBondContact O-CE 3.23Å; D27-K95 PolarHBondContact O-NZ 3.1Å; D27-K95 IonicContact OD1-NZ 3.33Å; D27-K95 PolarHBondContact OD1-NZ 3.5Å; D27-K95 IonicContact OD2-NZ 2.64Å; L34-K95 HydrophobicContact CD2-CG 4.04Å; G93-K95 PolarHBondContact O-N 3.31Å; K95-V97 PolarHBondContact O-N 3.12Å; K95-V98 PolarHBondContact O-N 3.4Å; K95-H99 WeakPolarHBondContact O-CB 3.35Å; K95-H99 VanDerWaalsContact O-CG 3.3Å; K95-H99 PolarHBondContact O-N 2.7Å
96P79.7Confident81.1Confident103 Ų10340 Ų4067%0.66921%0.205SC*.Hα-helixtrans-66.3-18.3-179.826.5-36.4000114.3S94 P100S94-P96 VanDerWaalsContact C-CD 3.43Å; P96-P100 WeakPolarHBondContact O-CD 3.49Å; P96-P100 VanDerWaalsContact O-CG 3.27Å; P96-P100 WeakPolarHBondContact O-CG 3.43Å
97V81.2Confident81.7Confident16 Ų1643.2 Ų43.210%0.09722%0.22CC..Hα-helixtrans-95.1-42.6174.7178.10000111.1F86 S94 K95 P100 I101F86-V97 HydrophobicContact CD2-CG1 3.85Å; F86-V97 HydrophobicContact CE2-CG1 3.65Å; F86-V97 HydrophobicContact CZ-CG1 4.46Å; S94-V97 PolarHBondContact O-N 2.97Å; S94-V97 WeakPolarHBondContact OG-CG2 3.29Å; K95-V97 PolarHBondContact O-N 3.12Å; V97-P100 WeakPolarHBondContact O-CD 3.48Å; V97-I101 HydrophobicContact CG1-CD1 3.99Å; V97-I101 VanDerWaalsContact O-CD1 3.31Å; V97-I101 WeakPolarHBondContact O-CD1 3.17Å; V97-I101 VanDerWaalsContact O-CG1 3.27Å; V97-I101 WeakPolarHBondContact O-CG1 3.36Å
98V82.6Confident82.2Confident0 Ų039.9 Ų39.90%021%0.21CC..Hα-helixtrans-76.1-37.9-175.5-178.70000112.9L34 L35 L38 S94 K95 I101 L102L34-V98 HydrophobicContact CD1-CG1 4.18Å; L34-V98 HydrophobicContact CD2-CB 4.06Å; L34-V98 HydrophobicContact CD2-CG1 4.16Å; L34-V98 HydrophobicContact CG-CB 4.22Å; L34-V98 HydrophobicContact CG-CG1 3.77Å; L35-V98 HydrophobicContact CD2-CG2 4.12Å; L38-V98 HydrophobicContact CB-CG1 4.17Å; L38-V98 HydrophobicContact CD2-CG1 4.12Å; S94-V98 PolarHBondContact O-N 3.3Å; K95-V98 PolarHBondContact O-N 3.4Å; V98-I101 PolarHBondContact O-N 3.25Å; V98-L102 HydrophobicContact CG1-CD1 3.87Å; V98-L102 HydrophobicContact CG1-CG 4.07Å; V98-L102 PolarHBondContact O-N 3.44Å
99H84.9Confident82.5Confident22 Ų2234.3 Ų34.310%0.10219%0.185CC..Hα-helixtrans-62.2-43.6-179.9-65174.4000113.1I8 F26 K95 I101 L102 H103I8-H99 HydrophobicContact CD1-CB 4.33Å; I8-H99 WeakPolarHBondContact CD1-O 3.14Å; F26-H99 AromaticContact CE1-NE2 3.98Å; K95-H99 WeakPolarHBondContact O-CB 3.35Å; K95-H99 VanDerWaalsContact O-CG 3.3Å; K95-H99 PolarHBondContact O-N 2.7Å; H99-I101 VanDerWaalsContact C-N 3.32Å; H99-I101 PolarHBondContact O-N 3.48Å; H99-L102 PolarHBondContact O-N 3.08Å; H99-H103 VanDerWaalsContact O-CB 3.32Å; H99-H103 WeakPolarHBondContact O-CB 3.05Å; H99-H103 PolarHBondContact O-N 2.88Å
100P85.2Confident82.8Confident33 Ų3338.2 Ų38.221%0.21421%0.209CC..Hα-helixtrans-65.4-30.2173.8-24.235.9000114.5Y74 P77 P96 V97 W104Y74-P100 PolarHBondContact OH-O 3.34Å; P77-P100 HydrophobicContact CG-CB 3.73Å; P77-P100 HydrophobicContact CG-CG 4.42Å; P96-P100 WeakPolarHBondContact O-CD 3.49Å; P96-P100 VanDerWaalsContact O-CG 3.27Å; P96-P100 WeakPolarHBondContact O-CG 3.43Å; V97-P100 WeakPolarHBondContact O-CD 3.48Å; P100-W104 WeakPolarHBondContact O-CB 3.3Å; P100-W104 PolarHBondContact O-N 3.07Å
101I82.4Confident83.1Confident0 Ų043.5 Ų43.50%023%0.234CC..Hα-helixtrans-68.4-52.6174.3-63.4165.4000109.4L38 L69 Y74 F86 L90 V97 V98 H99 H103 W104 L105L38-I101 HydrophobicContact CD1-CB 4.4Å; L38-I101 HydrophobicContact CD1-CG2 3.58Å; L38-I101 HydrophobicContact CD2-CG2 4.45Å; L69-I101 HydrophobicContact CD1-CD1 4.21Å; L69-I101 HydrophobicContact CD1-CG2 4.31Å; L69-I101 HydrophobicContact CD2-CG2 3.92Å; Y74-I101 HydrophobicContact CD1-CG1 4.44Å; Y74-I101 HydrophobicContact CE1-CD1 4.45Å; Y74-I101 HydrophobicContact CE1-CG1 3.6Å; Y74-I101 PolarHBondContact OH-N 3.26Å; F86-I101 HydrophobicContact CE2-CD1 4.18Å; F86-I101 HydrophobicContact CZ-CD1 4.06Å; L90-I101 HydrophobicContact CD1-CD1 4.28Å; V97-I101 HydrophobicContact CG1-CD1 3.99Å; V97-I101 VanDerWaalsContact O-CD1 3.31Å; V97-I101 WeakPolarHBondContact O-CD1 3.17Å; V97-I101 VanDerWaalsContact O-CG1 3.27Å; V97-I101 WeakPolarHBondContact O-CG1 3.36Å; V98-I101 PolarHBondContact O-N 3.25Å; H99-I101 VanDerWaalsContact C-N 3.32Å; H99-I101 PolarHBondContact O-N 3.48Å; I101-H103 VanDerWaalsContact C-N 3.32Å; I101-H103 PolarHBondContact O-N 3.46Å; I101-W104 PolarHBondContact O-N 3.44Å; I101-W104 VanDerWaalsContact O-N 3.16Å; I101-L105 HydrophobicContact CG2-CD1 3.76Å; I101-L105 HydrophobicContact CG2-CG 4.15Å; I101-L105 WeakPolarHBondContact O-CG 3.02Å; I101-L105 PolarHBondContact O-N 3.2Å
102L83.6Confident83.3Confident0 Ų040.7 Ų40.70%022%0.217CC..Hα-helixtrans-56.6-44.1177.2-75.2174.5000112.1I8 F26 L34 L38 V41 V98 H99 W104 L105 L106I8-L102 HydrophobicContact CD1-CB 4.19Å; I8-L102 HydrophobicContact CG1-CB 4.32Å; I8-L102 HydrophobicContact CG2-CB 4.4Å; I8-L102 HydrophobicContact CG2-CD1 4.47Å; F26-L102 HydrophobicContact CZ-CD1 3.98Å; L34-L102 HydrophobicContact CD1-CD1 3.94Å; L38-L102 HydrophobicContact CB-CD2 4.24Å; L38-L102 HydrophobicContact CD1-CD2 3.88Å; L38-L102 HydrophobicContact CD1-CG 4.25Å; V41-L102 HydrophobicContact CB-CD2 4.32Å; V41-L102 HydrophobicContact CG2-CD2 4.06Å; V98-L102 HydrophobicContact CG1-CD1 3.87Å; V98-L102 HydrophobicContact CG1-CG 4.07Å; V98-L102 PolarHBondContact O-N 3.44Å; H99-L102 PolarHBondContact O-N 3.08Å; L102-W104 VanDerWaalsContact C-N 3.34Å; L102-W104 PolarHBondContact O-N 3.38Å; L102-L105 PolarHBondContact O-N 3.02Å; L102-L106 VanDerWaalsContact O-CB 3.27Å; L102-L106 WeakPolarHBondContact O-CB 3.24Å; L102-L106 WeakPolarHBondContact O-CD1 3.28Å; L102-L106 WeakPolarHBondContact O-CG 3.23Å; L102-L106 PolarHBondContact O-N 3Å
103H85.9Confident83.5Confident32 Ų3240.5 Ų40.515%0.14821%0.209CC..Hα-helixtrans-57.7-45.8177-173.766.2000112.2F7 I8 H99 I101 Q107F7-H103 AromaticContact CD1-CE1 3.96Å; F7-H103 AromaticContact CD1-ND1 3.61Å; I8-H103 HydrophobicContact CD1-CB 4.14Å; I8-H103 HydrophobicContact CG1-CB 4.23Å; H99-H103 VanDerWaalsContact O-CB 3.32Å; H99-H103 WeakPolarHBondContact O-CB 3.05Å; H99-H103 PolarHBondContact O-N 2.88Å; I101-H103 VanDerWaalsContact C-N 3.32Å; I101-H103 PolarHBondContact O-N 3.46Å; H103-Q107 PolarHBondContact CE1-NE2 3.31Å; H103-Q107 PolarHBondContact NE2-NE2 2.67Å; H103-Q107 WeakPolarHBondContact O-CB 3.36Å; H103-Q107 VanDerWaalsContact O-CG 3.28Å; H103-Q107 WeakPolarHBondContact O-CG 3.25Å; H103-Q107 PolarHBondContact O-N 2.61Å; H103-Q107 VanDerWaalsContact O-N 3.11Å
104W87.1Confident83.8Confident59 Ų5944.9 Ų44.922%0.22323%0.228CC..Hα-helixtrans-71.2-41-179.8-177.984.5000113L72 Y74 P100 I101 L102 L112L72-W104 HydrophobicContact CB-CH2 4.12Å; L72-W104 HydrophobicContact CB-CZ3 4.26Å; Y74-W104 HydrophobicContact CD2-CB 4.27Å; Y74-W104 AromaticContact CD2-CD2 3.44Å; Y74-W104 HydrophobicContact CD2-CD2 3.44Å; Y74-W104 VanDerWaalsContact CD2-CD2 3.44Å; Y74-W104 AromaticContact CD2-CE2 3.93Å; Y74-W104 AromaticContact CD2-CE3 3.42Å; Y74-W104 HydrophobicContact CD2-CE3 3.42Å; Y74-W104 VanDerWaalsContact CD2-CE3 3.42Å; Y74-W104 AromaticContact CD2-CG 3.82Å; Y74-W104 HydrophobicContact CD2-CG 3.82Å; Y74-W104 HydrophobicContact CD2-CH2 4.31Å; Y74-W104 HydrophobicContact CD2-CZ2 4.34Å; Y74-W104 AromaticContact CD2-CZ3 3.88Å; Y74-W104 HydrophobicContact CD2-CZ3 3.88Å; Y74-W104 HydrophobicContact CE2-CB 3.77Å; Y74-W104 AromaticContact CE2-CD2 3.9Å; Y74-W104 HydrophobicContact CE2-CD2 3.9Å; Y74-W104 HydrophobicContact CE2-CE3 4.09Å; Y74-W104 AromaticContact CE2-CG 3.76Å; Y74-W104 HydrophobicContact CE2-CG 3.76Å; Y74-W104 HydrophobicContact CG-CE3 4.23Å; Y74-W104 HydrophobicContact CG-CZ3 4.31Å; P100-W104 WeakPolarHBondContact O-CB 3.3Å; P100-W104 PolarHBondContact O-N 3.07Å; I101-W104 PolarHBondContact O-N 3.44Å; I101-W104 VanDerWaalsContact O-N 3.16Å; L102-W104 VanDerWaalsContact C-N 3.34Å; L102-W104 PolarHBondContact O-N 3.38Å; W104-L112 HydrophobicContact CE3-CD1 4.18Å; W104-L112 HydrophobicContact CH2-CD1 4.42Å; W104-L112 HydrophobicContact CH2-CD2 3.49Å; W104-L112 VanDerWaalsContact CH2-CD2 3.49Å; W104-L112 HydrophobicContact CZ2-CD2 4.16Å; W104-L112 HydrophobicContact CZ3-CD1 3.95Å; W104-L112 HydrophobicContact CZ3-CD2 3.78Å
105L85Confident83.9Confident0 Ų048.8 Ų48.80%024%0.238CC..Hα-helixtrans-61.9-47.8176-67.3175.3000110.9L38 V41 L42 I45 L69 L72 I101 L102 Q107 K108 V109 L112L38-L105 HydrophobicContact CD1-CD1 3.62Å; V41-L105 HydrophobicContact CG1-CB 3.91Å; V41-L105 HydrophobicContact CG1-CD1 4Å; L42-L105 HydrophobicContact CD2-CD1 3.69Å; L42-L105 HydrophobicContact CD2-CD2 4.07Å; L42-L105 HydrophobicContact CG-CD1 4.12Å; I45-L105 HydrophobicContact CD1-CB 4.29Å; I45-L105 HydrophobicContact CD1-CD2 3.88Å; L69-L105 HydrophobicContact CD2-CD2 4.36Å; L72-L105 HydrophobicContact CD1-CD2 4.11Å; I101-L105 HydrophobicContact CG2-CD1 3.76Å; I101-L105 HydrophobicContact CG2-CG 4.15Å; I101-L105 WeakPolarHBondContact O-CG 3.02Å; I101-L105 PolarHBondContact O-N 3.2Å; L102-L105 PolarHBondContact O-N 3.02Å; L105-Q107 VanDerWaalsContact C-N 3.34Å; L105-Q107 PolarHBondContact O-N 3.22Å; L105-K108 PolarHBondContact O-N 2.89Å; L105-V109 VanDerWaalsContact O-CG2 3.31Å; L105-V109 WeakPolarHBondContact O-CG2 3.1Å; L105-V109 PolarHBondContact O-N 2.89Å; L105-V109 VanDerWaalsContact O-N 3.1Å; L105-L112 HydrophobicContact CB-CD1 4.44Å; L105-L112 HydrophobicContact CD2-CD1 3.83Å
106L84.8Confident84Confident7 Ų745.8 Ų45.84%0.03723%0.227CC..Hα-helixtrans-71.5-24.6-177.1-66.2169.7000113.4F7 I8 Q11 L12 F17 V41 L102 K108 V109F7-L106 HydrophobicContact CE1-CB 4.19Å; I8-L106 HydrophobicContact CB-CD1 4.31Å; I8-L106 HydrophobicContact CG1-CD1 4.36Å; I8-L106 HydrophobicContact CG2-CD1 3.94Å; Q11-L106 HydrophobicContact CB-CB 4.06Å; Q11-L106 HydrophobicContact CB-CD1 4.21Å; Q11-L106 HydrophobicContact CB-CD2 4.24Å; Q11-L106 HydrophobicContact CB-CG 4.4Å; Q11-L106 HydrophobicContact CG-CB 4.36Å; L12-L106 HydrophobicContact CD2-CD1 4.12Å; L12-L106 HydrophobicContact CD2-CD2 4.28Å; L12-L106 HydrophobicContact CG-CD1 3.97Å; F17-L106 HydrophobicContact CD2-CD2 4.2Å; F17-L106 HydrophobicContact CE2-CD2 3.66Å; F17-L106 HydrophobicContact CZ-CD2 4.37Å; V41-L106 HydrophobicContact CG1-CD2 4.15Å; V41-L106 HydrophobicContact CG2-CD2 4.19Å; L102-L106 VanDerWaalsContact O-CB 3.27Å; L102-L106 WeakPolarHBondContact O-CB 3.24Å; L102-L106 WeakPolarHBondContact O-CD1 3.28Å; L102-L106 WeakPolarHBondContact O-CG 3.23Å; L102-L106 PolarHBondContact O-N 3Å; L106-K108 VanDerWaalsContact C-N 3.29Å; L106-K108 PolarHBondContact O-N 3.33Å; L106-V109 HydrophobicContact CD2-CG2 4.39Å
107Q86.3Confident84.2Confident98 Ų9846.8 Ų46.846%0.45822%0.219SC..Hα-helixtrans-66.4-28.8171.5-84.6177.3-14.200113.6F7 H103 L105F7-Q107 HydrophobicContact CD1-CG 4.49Å; F7-Q107 HydrophobicContact CE1-CB 4.45Å; F7-Q107 HydrophobicContact CE1-CG 3.63Å; F7-Q107 HydrophobicContact CZ-CG 3.79Å; H103-Q107 PolarHBondContact CE1-NE2 3.31Å; H103-Q107 PolarHBondContact NE2-NE2 2.67Å; H103-Q107 WeakPolarHBondContact O-CB 3.36Å; H103-Q107 VanDerWaalsContact O-CG 3.28Å; H103-Q107 WeakPolarHBondContact O-CG 3.25Å; H103-Q107 PolarHBondContact O-N 2.61Å; H103-Q107 VanDerWaalsContact O-N 3.11Å; L105-Q107 VanDerWaalsContact C-N 3.34Å; L105-Q107 PolarHBondContact O-N 3.22Å
108K83.9Confident84.4Confident74 Ų7448 Ų4832%0.32223%0.225SC..SBendtrans-132.521.5-165.3-77.6179.6168.2-77.50114.1L105 L106 P110 E111 L112L105-K108 PolarHBondContact O-N 2.89Å; L106-K108 VanDerWaalsContact C-N 3.29Å; L106-K108 PolarHBondContact O-N 3.33Å; K108-P110 VanDerWaalsContact C-CD 3.48Å; K108-P110 VanDerWaalsContact O-N 3.12Å; K108-E111 HydrophobicContact CB-CB 4.37Å; K108-E111 WeakPolarHBondContact CD-OE2 3.43Å; K108-E111 IonicContact NZ-OE1 2.73Å; K108-E111 PolarHBondContact NZ-OE1 2.62Å; K108-E111 IonicContact NZ-OE2 3.09Å; K108-E111 PolarHBondContact NZ-OE2 2.89Å; K108-E111 PolarHBondContact O-N 2.98Å; K108-L112 HydrophobicContact CB-CD1 4Å; K108-L112 HydrophobicContact CB-CG 4Å; K108-L112 WeakPolarHBondContact O-CG 3.46Å; K108-L112 PolarHBondContact O-N 3.47Å
109V83.3Confident84.3Confident19 Ų1949 Ų4912%0.11523%0.233CC..Hα-helixtrans-40.7-50.8-179.5-173.40000114.3L105 L106 L112 K113L105-V109 VanDerWaalsContact O-CG2 3.31Å; L105-V109 WeakPolarHBondContact O-CG2 3.1Å; L105-V109 PolarHBondContact O-N 2.89Å; L105-V109 VanDerWaalsContact O-N 3.1Å; L106-V109 HydrophobicContact CD2-CG2 4.39Å; V109-L112 PolarHBondContact O-N 3Å; V109-K113 HydrophobicContact CG1-CD 4.2Å; V109-K113 HydrophobicContact CG1-CG 4.43Å; V109-K113 WeakPolarHBondContact O-CB 3.48Å; V109-K113 WeakPolarHBondContact O-CG 3.23Å; V109-K113 PolarHBondContact O-N 3.15Å
110P83.4Confident84.1Confident90 Ų9056.3 Ų56.358%0.58426%0.259SS*.Hα-helixtrans-68.8-36.4-179.927-35.4000113.9K108 K114K108-P110 VanDerWaalsContact C-CD 3.48Å; K108-P110 VanDerWaalsContact O-N 3.12Å; P110-K114 WeakPolarHBondContact O-CG 3.41Å; P110-K114 PolarHBondContact O-N 2.81Å
111E83.9Confident83.9Confident110 Ų11058.3 Ų58.351%0.51427%0.265SS..Hα-helixtrans-66.8-39.9174-64.7179.7-157.800111.1K108 K114 R115K108-E111 HydrophobicContact CB-CB 4.37Å; K108-E111 WeakPolarHBondContact CD-OE2 3.43Å; K108-E111 IonicContact NZ-OE1 2.73Å; K108-E111 PolarHBondContact NZ-OE1 2.62Å; K108-E111 IonicContact NZ-OE2 3.09Å; K108-E111 PolarHBondContact NZ-OE2 2.89Å; K108-E111 PolarHBondContact O-N 2.98Å; E111-K114 PolarHBondContact O-N 2.74Å; E111-R115 WeakPolarHBondContact O-CB 3.4Å; E111-R115 PolarHBondContact O-N 3.12Å
112L84.9Confident83.8Confident6 Ų661.2 Ų61.23%0.03128%0.28CS..Hα-helixtrans-73.1-37.3-178.3-64.5173000112.1I45 L72 W104 L105 K108 V109 R115 A116I45-L112 HydrophobicContact CD1-CB 4.15Å; I45-L112 HydrophobicContact CD1-CD1 4.23Å; I45-L112 HydrophobicContact CG1-CB 4.47Å; I45-L112 HydrophobicContact CG2-CB 4.14Å; L72-L112 HydrophobicContact CB-CD2 4.36Å; L72-L112 HydrophobicContact CD2-CB 4.36Å; L72-L112 HydrophobicContact CD2-CD2 4.13Å; W104-L112 HydrophobicContact CE3-CD1 4.18Å; W104-L112 HydrophobicContact CH2-CD1 4.42Å; W104-L112 HydrophobicContact CH2-CD2 3.49Å; W104-L112 VanDerWaalsContact CH2-CD2 3.49Å; W104-L112 HydrophobicContact CZ2-CD2 4.16Å; W104-L112 HydrophobicContact CZ3-CD1 3.95Å; W104-L112 HydrophobicContact CZ3-CD2 3.78Å; L105-L112 HydrophobicContact CB-CD1 4.44Å; L105-L112 HydrophobicContact CD2-CD1 3.83Å; K108-L112 HydrophobicContact CB-CD1 4Å; K108-L112 HydrophobicContact CB-CG 4Å; K108-L112 WeakPolarHBondContact O-CG 3.46Å; K108-L112 PolarHBondContact O-N 3.47Å; V109-L112 PolarHBondContact O-N 3Å; L112-R115 PolarHBondContact O-N 3.46Å; L112-A116 WeakPolarHBondContact O-CB 3.44Å; L112-A116 PolarHBondContact O-N 3.47Å
113K84.3Confident83.7Confident75 Ų7565.3 Ų65.333%0.32631%0.305SS..Hα-helixtrans-56.9-49.8167.8-79.5178.6173.8-166.30111.4E44 V109 R115 A116 Y117E44-K113 WeakPolarHBondContact O-CE 3.37Å; E44-K113 WeakPolarHBondContact OE1-CE 3.44Å; E44-K113 IonicContact OE1-NZ 3.62Å; E44-K113 PolarHBondContact OE1-NZ 3.48Å; V109-K113 HydrophobicContact CG1-CD 4.2Å; V109-K113 HydrophobicContact CG1-CG 4.43Å; V109-K113 WeakPolarHBondContact O-CB 3.48Å; V109-K113 WeakPolarHBondContact O-CG 3.23Å; V109-K113 PolarHBondContact O-N 3.15Å; K113-R115 VanDerWaalsContact C-N 3.3Å; K113-R115 PolarHBondContact O-N 3.21Å; K113-A116 PolarHBondContact O-N 2.9Å; K113-Y117 WeakPolarHBondContact O-CB 3.34Å; K113-Y117 PolarHBondContact O-N 2.99Å
114K83.9Confident83.2Confident93 Ų9368.7 Ų68.740%0.40432%0.319SS..Hα-helixtrans-59.1-41.3174.4-73.2178.6180-175.90111.5P110 E111 Y117 L118 E159P110-K114 WeakPolarHBondContact O-CG 3.41Å; P110-K114 PolarHBondContact O-N 2.81Å; E111-K114 PolarHBondContact O-N 2.74Å; K114-Y117 PolarHBondContact O-N 3.05Å; K114-L118 WeakPolarHBondContact O-CB 3.48Å; K114-L118 VanDerWaalsContact O-CG 3.28Å; K114-L118 WeakPolarHBondContact O-CG 3.28Å; K114-L118 PolarHBondContact O-N 3.41Å; K114-E159 VanDerWaalsContact CE-OE1 3.24Å; K114-E159 WeakPolarHBondContact CE-OE1 3.48Å; K114-E159 VanDerWaalsContact NZ-CD 3.27Å; K114-E159 IonicContact NZ-OE1 3Å; K114-E159 PolarHBondContact NZ-OE1 2.89Å; K114-E159 VanDerWaalsContact NZ-OE1 3.12Å; K114-E159 IonicContact NZ-OE2 2.76Å; K114-E159 PolarHBondContact NZ-OE2 3.35Å
115R83.9Confident82.8Confident110 Ų11071.5 Ų71.542%0.41534%0.338SS..Hα-helixtrans-66.4-43178.6-171.6174.6-169.3121.729.7113.1M71 L72 E111 L112 K113 L118 A119M71-R115 PolarHBondContact O-NE 3.38Å; L72-R115 HydrophobicContact CD2-CB 4.27Å; L72-R115 HydrophobicContact CD2-CG 4.27Å; L72-R115 WeakPolarHBondContact O-CD 3.35Å; L72-R115 PolarHBondContact O-NE 2.84Å; L72-R115 VanDerWaalsContact O-NE 3.15Å; L72-R115 PolarHBondContact O-NH1 3.03Å; E111-R115 WeakPolarHBondContact O-CB 3.4Å; E111-R115 PolarHBondContact O-N 3.12Å; L112-R115 PolarHBondContact O-N 3.46Å; K113-R115 VanDerWaalsContact C-N 3.3Å; K113-R115 PolarHBondContact O-N 3.21Å; R115-L118 PolarHBondContact O-N 3.22Å; R115-A119 VanDerWaalsContact O-CB 3.32Å; R115-A119 WeakPolarHBondContact O-CB 3.42Å; R115-A119 PolarHBondContact O-N 3.01Å
116A83.5Confident82.2Confident14 Ų1480.7 Ų80.712%0.11638%0.381CS..Hα-helixtrans-64.6-43.6176.100000111.3I45 D46 L72 L112 K113 A119 R120I45-A116 HydrophobicContact CG2-CB 3.93Å; I45-A116 WeakPolarHBondContact O-CB 3.44Å; D46-A116 HydrophobicContact CB-CB 4.25Å; L72-A116 HydrophobicContact CD2-CB 4.31Å; L112-A116 WeakPolarHBondContact O-CB 3.44Å; L112-A116 PolarHBondContact O-N 3.47Å; K113-A116 PolarHBondContact O-N 2.9Å; A116-A119 PolarHBondContact O-N 3.5Å; A116-R120 PolarHBondContact O-N 2.76Å
117Y84.4Confident81.8Confident125 Ų12582.7 Ų82.749%0.4939%0.393SS..Hα-helixtrans-57.8-49.3172.6178.6-97.3000112K113 K114 R120 F121 F151K113-Y117 WeakPolarHBondContact O-CB 3.34Å; K113-Y117 PolarHBondContact O-N 2.99Å; K114-Y117 PolarHBondContact O-N 3.05Å; Y117-R120 WeakPolarHBondContact O-CB 3.38Å; Y117-R120 PolarHBondContact O-N 3.47Å; Y117-F121 HydrophobicContact CD2-CE2 4.34Å; Y117-F121 HydrophobicContact CE1-CD2 4.45Å; Y117-F121 HydrophobicContact CE1-CE2 4.17Å; Y117-F121 AromaticContact CE2-CE2 3.87Å; Y117-F121 HydrophobicContact CE2-CE2 3.87Å; Y117-F121 AromaticContact CZ-CE2 3.76Å; Y117-F121 VanDerWaalsContact O-CD2 3.29Å; Y117-F121 WeakPolarHBondContact O-CD2 3.19Å; Y117-F151 HydrophobicContact CE1-CZ 4.4Å
118L84.4Confident81.5Confident42 Ų4281.5 Ų81.522%0.2239%0.394CS..Hα-helixtrans-66.3-35.9177.9-73.5174.2000112.9K114 R115 R120 F121 L122 F151K114-L118 WeakPolarHBondContact O-CB 3.48Å; K114-L118 VanDerWaalsContact O-CG 3.28Å; K114-L118 WeakPolarHBondContact O-CG 3.28Å; K114-L118 PolarHBondContact O-N 3.41Å; R115-L118 PolarHBondContact O-N 3.22Å; L118-R120 PolarHBondContact O-N 2.68Å; L118-F121 PolarHBondContact O-N 3Å; L118-L122 HydrophobicContact CB-CD1 4.07Å; L118-L122 HydrophobicContact CD2-CD1 4.27Å; L118-L122 WeakPolarHBondContact O-CB 3.48Å; L118-L122 WeakPolarHBondContact O-CG 3.24Å; L118-L122 PolarHBondContact O-N 2.82Å; L118-F151 HydrophobicContact CD2-CE1 3.74Å; L118-F151 HydrophobicContact CD2-CZ 4.11Å
119A82.1Confident81Confident20 Ų2081.7 Ų81.717%0.16541%0.41CS..Hα-helixtrans-59.3-32.6178.600000112.4R115 A116 F121 V123R115-A119 VanDerWaalsContact O-CB 3.32Å; R115-A119 WeakPolarHBondContact O-CB 3.42Å; R115-A119 PolarHBondContact O-N 3.01Å; A116-A119 PolarHBondContact O-N 3.5Å; A119-F121 PolarHBondContact O-N 2.96Å; A119-V123 HydrophobicContact CB-CG2 4.35Å; A119-V123 WeakPolarHBondContact O-CB 3.39Å; A119-V123 VanDerWaalsContact O-CG2 3.22Å; A119-V123 WeakPolarHBondContact O-CG2 3.43Å; A119-V123 PolarHBondContact O-N 2.73Å
120R79.9Confident80.7Confident175 Ų17588.2 Ų88.266%0.6644%0.439SS*.Hα-helixtrans-58.7-27.7174-179.3177.9175.1167.7-1.7113.8A116 Y117 L118A116-R120 PolarHBondContact O-N 2.76Å; Y117-R120 WeakPolarHBondContact O-CB 3.38Å; Y117-R120 PolarHBondContact O-N 3.47Å; L118-R120 PolarHBondContact O-N 2.68Å
121F81Confident80.2Confident75 Ų7589.7 Ų89.733%0.32944%0.436SS..Hα-helixtrans-115.7-17-173.6-56.8-72.6000113.9Y117 L118 A119 F151Y117-F121 HydrophobicContact CD2-CE2 4.34Å; Y117-F121 HydrophobicContact CE1-CD2 4.45Å; Y117-F121 HydrophobicContact CE1-CE2 4.17Å; Y117-F121 AromaticContact CE2-CE2 3.87Å; Y117-F121 HydrophobicContact CE2-CE2 3.87Å; Y117-F121 AromaticContact CZ-CE2 3.76Å; Y117-F121 VanDerWaalsContact O-CD2 3.29Å; Y117-F121 WeakPolarHBondContact O-CD2 3.19Å; L118-F121 PolarHBondContact O-N 3Å; A119-F121 PolarHBondContact O-N 2.96Å; F121-F151 HydrophobicContact CB-CD1 4.2Å; F121-F151 HydrophobicContact CB-CE1 3.77Å; F121-F151 HydrophobicContact CB-CZ 4.2Å; F121-F151 HydrophobicContact CD2-CE1 4.35Å; F121-F151 HydrophobicContact CD2-CZ 4.01Å; F121-F151 HydrophobicContact CG-CE1 4.31Å; F121-F151 HydrophobicContact CG-CZ 4.25Å
122L80.6Confident79.7Confident62 Ų6286.9 Ų86.933%0.32542%0.424SS..Hα-helixtrans-107.9-10.3-176.7-61.3-174.4000114.4L118 K124 V148 F151 K152L118-L122 HydrophobicContact CB-CD1 4.07Å; L118-L122 HydrophobicContact CD2-CD1 4.27Å; L118-L122 WeakPolarHBondContact O-CB 3.48Å; L118-L122 WeakPolarHBondContact O-CG 3.24Å; L118-L122 PolarHBondContact O-N 2.82Å; L122-K124 PolarHBondContact O-N 3.06Å; L122-V148 HydrophobicContact CD2-CG1 3.95Å; L122-F151 HydrophobicContact CD2-CD1 3.95Å; L122-F151 HydrophobicContact CD2-CE1 4.33Å; L122-K152 HydrophobicContact CD2-CG 3.77Å
123V80.5Confident79.2Confident85 Ų8594.1 Ų94.152%0.51546%0.458SS..SBendtrans-74.5113.1169.3172.80000107.8A119A119-V123 HydrophobicContact CB-CG2 4.35Å; A119-V123 WeakPolarHBondContact O-CB 3.39Å; A119-V123 VanDerWaalsContact O-CG2 3.22Å; A119-V123 WeakPolarHBondContact O-CG2 3.43Å; A119-V123 PolarHBondContact O-N 2.73Å
124K76.4Confident79.2Confident104 Ų10494.3 Ų94.345%0.45246%0.463SS..  trans-62.6143.9177.6-66.7-169173.5-168.40110.3L122 E126 E145L122-K124 PolarHBondContact O-N 3.06Å; K124-E126 PolarHBondContact O-N 2.9Å; K124-E145 VanDerWaalsContact CE-OE1 3.31Å; K124-E145 WeakPolarHBondContact CE-OE1 3.27Å; K124-E145 IonicContact NZ-OE1 2.65Å; K124-E145 PolarHBondContact NZ-OE1 3.33Å; K124-E145 IonicContact NZ-OE2 2.7Å; K124-E145 PolarHBondContact NZ-OE2 3.47Å
125L77.3Confident78.9Confident117 Ų11795.9 Ų95.961%0.61348%0.476SS*.  trans-74.8118.8167.1-71.7156.2000107.5V127L125-V127 PolarHBondContact O-N 3.27Å
126E72.5Confident78.9Confident193 Ų19396.6 Ų96.690%0.90249%0.486SS*.  trans-7591.6175.8-68.9-177.3172.400109.4K124K124-E126 PolarHBondContact O-N 2.9Å
127V76.7Confident78.9Confident49 Ų4998.8 Ų98.830%0.29750%0.495SS..  trans-79.5122.6171.8-175.70000108.3L125 F131 L132 Y141L125-V127 PolarHBondContact O-N 3.27Å; V127-F131 HydrophobicContact CG1-CB 4.01Å; V127-L132 HydrophobicContact CB-CD1 4.38Å; V127-L132 HydrophobicContact CB-CD2 4.5Å; V127-L132 HydrophobicContact CB-CG 4.32Å; V127-L132 HydrophobicContact CG1-CD1 4.47Å; V127-L132 HydrophobicContact CG1-CD2 4.22Å; V127-L132 HydrophobicContact CG1-CG 3.93Å; V127-Y141 HydrophobicContact CG2-CD2 3.82Å; V127-Y141 HydrophobicContact CG2-CE2 3.96Å
128P81.4Confident78.9Confident73 Ų7395.2 Ų95.247%0.47449%0.485SS..  trans-61.4142.3177.8-21.732.3000111.7E130 F131P128-E130 PolarHBondContact O-N 3.24Å; P128-F131 HydrophobicContact CB-CD2 4.09Å; P128-F131 HydrophobicContact CG-CD2 4.12Å; P128-F131 HydrophobicContact CG-CE2 4.44Å; P128-F131 PolarHBondContact O-N 3Å
129A72.9Confident79Confident79 Ų7997.9 Ų97.965%0.65350%0.499SS*.THydrogen-bonded Turntrans-59.8-17.3-175.600000114.6
130E76.4Confident79.2Confident155 Ų155100.9 Ų100.972%0.72452%0.515SS*.THydrogen-bonded Turntrans-69-35.1173.4-63.9172.5-174.500112.3P128P128-E130 PolarHBondContact O-N 3.24Å
131F72.6Confident79.4Confident122 Ų12294.6 Ų94.654%0.53549%0.492SS..G310 helixtrans-84.9-18.6178.3-66.5-79.5000113.1V127 P128 Q133 D134 I137V127-F131 HydrophobicContact CG1-CB 4.01Å; P128-F131 HydrophobicContact CB-CD2 4.09Å; P128-F131 HydrophobicContact CG-CD2 4.12Å; P128-F131 HydrophobicContact CG-CE2 4.44Å; P128-F131 PolarHBondContact O-N 3Å; F131-Q133 PolarHBondContact O-N 2.75Å; F131-D134 PolarHBondContact O-N 2.83Å; F131-I137 HydrophobicContact CB-CD1 4.48Å; F131-I137 WeakPolarHBondContact O-CB 3.46Å; F131-I137 WeakPolarHBondContact O-CG2 3.5Å
132L73.3Confident79.7Confident51 Ų5195.6 Ų95.627%0.26750%0.498SS..G310 helixtrans-78.91.8173.6-70.8166.3000113.1V127 Y141V127-L132 HydrophobicContact CB-CD1 4.38Å; V127-L132 HydrophobicContact CB-CD2 4.5Å; V127-L132 HydrophobicContact CB-CG 4.32Å; V127-L132 HydrophobicContact CG1-CD1 4.47Å; V127-L132 HydrophobicContact CG1-CD2 4.22Å; V127-L132 HydrophobicContact CG1-CG 3.93Å; L132-Y141 HydrophobicContact CD2-CD1 4.24Å; L132-Y141 HydrophobicContact CD2-CG 4.07Å
133Q75Confident80Confident158 Ų15898.2 Ų98.274%0.73851%0.508SS*.G310 helixtrans-82.8-13170.7-62.6-178.611.400113F131F131-Q133 PolarHBondContact O-N 2.75Å
134D83.8Confident80.3Confident79 Ų7997.4 Ų97.442%0.42250%0.497SS..SBendtrans-85.7116.4170.5-175.6-23.3000108.7F131 I136 I137 N138F131-D134 PolarHBondContact O-N 2.83Å; D134-I136 PolarHBondContact O-N 3.33Å; D134-I136 VanDerWaalsContact O-N 3.15Å; D134-I136 WeakPolarHBondContact OD1-CB 3.45Å; D134-I136 PolarHBondContact OD1-N 3.11Å; D134-I137 HydrophobicContact CB-CB 4.21Å; D134-I137 HydrophobicContact CB-CD1 3.95Å; D134-I137 HydrophobicContact CB-CG1 3.97Å; D134-I137 PolarHBondContact O-N 2.67Å; D134-N138 PolarHBondContact O-N 3.16Å
135D78.5Confident80.8Confident126 Ų12695 Ų9567%0.67449%0.487SS*.Hα-helixtrans-53.3-36.2-177.7-65.5-38.9000112.1N138 D139D135-N138 PolarHBondContact O-N 3.42Å; D135-D139 WeakPolarHBondContact O-CB 3.17Å; D135-D139 PolarHBondContact O-N 3.06Å
136I83.8Confident81.3Confident124 Ų12496.4 Ų96.464%0.63649%0.49SS*.Hα-helixtrans-68.4-39.3-179.1-57.8175000110.8D134 T140D134-I136 PolarHBondContact O-N 3.33Å; D134-I136 VanDerWaalsContact O-N 3.15Å; D134-I136 WeakPolarHBondContact OD1-CB 3.45Å; D134-I136 PolarHBondContact OD1-N 3.11Å; I136-T140 WeakPolarHBondContact O-CB 3.41Å; I136-T140 PolarHBondContact O-N 2.97Å; I136-T140 VanDerWaalsContact O-N 3.11Å; I136-T140 PolarHBondContact O-OG1 2.78Å
137I83Confident82.1Confident61 Ų6193.3 Ų93.331%0.31348%0.479SS..Hα-helixtrans-71.1-39.8178.3-60.8-178.3000109.7F131 D134 T140 Y141F131-I137 HydrophobicContact CB-CD1 4.48Å; F131-I137 WeakPolarHBondContact O-CB 3.46Å; F131-I137 WeakPolarHBondContact O-CG2 3.5Å; D134-I137 HydrophobicContact CB-CB 4.21Å; D134-I137 HydrophobicContact CB-CD1 3.95Å; D134-I137 HydrophobicContact CB-CG1 3.97Å; D134-I137 PolarHBondContact O-N 2.67Å; I137-T140 PolarHBondContact O-N 3.28Å; I137-Y141 VanDerWaalsContact O-CB 3.28Å; I137-Y141 WeakPolarHBondContact O-CB 3.42Å; I137-Y141 PolarHBondContact O-N 3.09Å
138N84.1Confident82.6Confident49 Ų4991.7 Ų91.726%0.26247%0.469SS..Hα-helixtrans-66.1-45.9177.8-168.242.7000112.3D134 D135 T140 Y141 H142D134-N138 PolarHBondContact O-N 3.16Å; D135-N138 PolarHBondContact O-N 3.42Å; N138-T140 VanDerWaalsContact C-N 3.34Å; N138-T140 PolarHBondContact O-N 3.47Å; N138-Y141 PolarHBondContact O-N 3.42Å; N138-Y141 VanDerWaalsContact O-N 3.16Å; N138-H142 PolarHBondContact O-CD2 2.89Å; N138-H142 VanDerWaalsContact O-CD2 3.26Å; N138-H142 PolarHBondContact O-N 2.95Å
139D86.6Confident82.9Confident98 Ų9893.7 Ų93.752%0.52447%0.472SS..Hα-helixtrans-60.2-42.5174.6-81.8-8.5000112D135 Y141 H142 Q143D135-D139 WeakPolarHBondContact O-CB 3.17Å; D135-D139 PolarHBondContact O-N 3.06Å; D139-Y141 VanDerWaalsContact C-N 3.32Å; D139-Y141 PolarHBondContact O-N 3.22Å; D139-H142 PolarHBondContact O-N 3.12Å; D139-Q143 WeakPolarHBondContact O-CG 3.5Å; D139-Q143 PolarHBondContact O-N 3.15Å
140T86.1Confident83.6Confident83 Ų8390.9 Ų90.951%0.50945%0.451SS..Hα-helixtrans-64.8-37.7176.2-55.30000111.4I136 I137 N138 Q143 Y144I136-T140 WeakPolarHBondContact O-CB 3.41Å; I136-T140 PolarHBondContact O-N 2.97Å; I136-T140 VanDerWaalsContact O-N 3.11Å; I136-T140 PolarHBondContact O-OG1 2.78Å; I137-T140 PolarHBondContact O-N 3.28Å; N138-T140 VanDerWaalsContact C-N 3.34Å; N138-T140 PolarHBondContact O-N 3.47Å; T140-Q143 PolarHBondContact O-N 3.42Å; T140-Y144 PolarHBondContact O-N 3.46Å
141Y86Confident84.3Confident43 Ų4386.2 Ų86.217%0.16943%0.429CS..Hα-helixtrans-68.9-38.6176.6-174.5-93.4000111.7V127 L132 I137 N138 D139 Y144 E145V127-Y141 HydrophobicContact CG2-CD2 3.82Å; V127-Y141 HydrophobicContact CG2-CE2 3.96Å; L132-Y141 HydrophobicContact CD2-CD1 4.24Å; L132-Y141 HydrophobicContact CD2-CG 4.07Å; I137-Y141 VanDerWaalsContact O-CB 3.28Å; I137-Y141 WeakPolarHBondContact O-CB 3.42Å; I137-Y141 PolarHBondContact O-N 3.09Å; N138-Y141 PolarHBondContact O-N 3.42Å; N138-Y141 VanDerWaalsContact O-N 3.16Å; D139-Y141 VanDerWaalsContact C-N 3.32Å; D139-Y141 PolarHBondContact O-N 3.22Å; Y141-Y144 HydrophobicContact CE2-CD1 4.4Å; Y141-Y144 WeakPolarHBondContact O-CB 3.22Å; Y141-Y144 PolarHBondContact O-N 3.45Å; Y141-E145 HydrophobicContact CD1-CG 4.25Å; Y141-E145 HydrophobicContact CE1-CG 3.8Å; Y141-E145 WeakPolarHBondContact CE1-OE1 3.12Å; Y141-E145 WeakPolarHBondContact O-CG 3.46Å; Y141-E145 PolarHBondContact O-N 2.85Å; Y141-E145 PolarHBondContact OH-OE1 2.84Å
142H86.2Confident85Confident96 Ų9684.6 Ų84.644%0.44442%0.421SS..Hα-helixtrans-61.5-47171.8-78.9-57000112.4N138 D139 Y144 E145 E146N138-H142 PolarHBondContact O-CD2 2.89Å; N138-H142 VanDerWaalsContact O-CD2 3.26Å; N138-H142 PolarHBondContact O-N 2.95Å; D139-H142 PolarHBondContact O-N 3.12Å; H142-Y144 VanDerWaalsContact C-N 3.26Å; H142-Y144 PolarHBondContact O-N 2.87Å; H142-E145 PolarHBondContact O-N 3.16Å; H142-E145 VanDerWaalsContact O-N 3.08Å; H142-E146 PolarHBondContact O-N 3.34Å
143Q87Confident85.8Confident118 Ų11885.5 Ų85.555%0.55143%0.429SS*.Hα-helixtrans-59.4-37.3174.5-69.4173.923.500112.2D139 T140 L147D139-Q143 WeakPolarHBondContact O-CG 3.5Å; D139-Q143 PolarHBondContact O-N 3.15Å; T140-Q143 PolarHBondContact O-N 3.42Å; Q143-L147 WeakPolarHBondContact O-CB 3.13Å; Q143-L147 VanDerWaalsContact O-CG 3.3Å; Q143-L147 WeakPolarHBondContact O-CG 3.5Å; Q143-L147 PolarHBondContact O-N 3.13Å
144Y87.2Confident86.4Confident68 Ų6885.6 Ų85.627%0.26742%0.424SS..Hα-helixtrans-63.3-43.4172.9168.7-101.2000112.2T140 Y141 H142 L147 V148T140-Y144 PolarHBondContact O-N 3.46Å; Y141-Y144 HydrophobicContact CE2-CD1 4.4Å; Y141-Y144 WeakPolarHBondContact O-CB 3.22Å; Y141-Y144 PolarHBondContact O-N 3.45Å; H142-Y144 VanDerWaalsContact C-N 3.26Å; H142-Y144 PolarHBondContact O-N 2.87Å; Y144-L147 PolarHBondContact O-N 2.95Å; Y144-V148 HydrophobicContact CD2-CG2 4.26Å; Y144-V148 HydrophobicContact CE1-CG2 4.13Å; Y144-V148 HydrophobicContact CE2-CG2 3.81Å; Y144-V148 VanDerWaalsContact O-CG2 3.31Å; Y144-V148 WeakPolarHBondContact O-CG2 3.02Å; Y144-V148 PolarHBondContact O-N 3.42Å
145E86.2Confident86.7Confident54 Ų5483.8 Ų83.825%0.25241%0.413SS..Hα-helixtrans-64.1-42.3176.7-62.7-147.1158.900112.2K124 Y141 H142 L147 V148 E149K124-E145 VanDerWaalsContact CE-OE1 3.31Å; K124-E145 WeakPolarHBondContact CE-OE1 3.27Å; K124-E145 IonicContact NZ-OE1 2.65Å; K124-E145 PolarHBondContact NZ-OE1 3.33Å; K124-E145 IonicContact NZ-OE2 2.7Å; K124-E145 PolarHBondContact NZ-OE2 3.47Å; Y141-E145 HydrophobicContact CD1-CG 4.25Å; Y141-E145 HydrophobicContact CE1-CG 3.8Å; Y141-E145 WeakPolarHBondContact CE1-OE1 3.12Å; Y141-E145 WeakPolarHBondContact O-CG 3.46Å; Y141-E145 PolarHBondContact O-N 2.85Å; Y141-E145 PolarHBondContact OH-OE1 2.84Å; H142-E145 PolarHBondContact O-N 3.16Å; H142-E145 VanDerWaalsContact O-N 3.08Å; E145-L147 PolarHBondContact O-N 2.92Å; E145-V148 PolarHBondContact O-N 3.3Å; E145-E149 WeakPolarHBondContact O-CG 3.41Å; E145-E149 PolarHBondContact O-N 3.14Å
146E88.7Confident87.1Confident145 Ų14584.6 Ų84.668%0.67841%0.411SS*.Hα-helixtrans-59.7-44.4174.7-70.4-175.1168.900112.4H142 V148 E149 G150H142-E146 PolarHBondContact O-N 3.34Å; E146-V148 VanDerWaalsContact C-N 3.33Å; E146-V148 PolarHBondContact O-N 2.71Å; E146-E149 WeakPolarHBondContact O-CB 3.42Å; E146-E149 PolarHBondContact O-N 3.47Å; E146-G150 PolarHBondContact O-N 2.96Å
147L88.8Confident87.2Confident129 Ų12983.9 Ų83.968%0.67540%0.404SS*.Hα-helixtrans-64.8-36.4176.2-72.9171.2000112.3Q143 Y144 E145 F151Q143-L147 WeakPolarHBondContact O-CB 3.13Å; Q143-L147 VanDerWaalsContact O-CG 3.3Å; Q143-L147 WeakPolarHBondContact O-CG 3.5Å; Q143-L147 PolarHBondContact O-N 3.13Å; Y144-L147 PolarHBondContact O-N 2.95Å; E145-L147 PolarHBondContact O-N 2.92Å; L147-F151 WeakPolarHBondContact O-CB 3.05Å; L147-F151 PolarHBondContact O-N 2.92Å
148V88Confident87.3Confident14 Ų1483.9 Ų83.99%0.08541%0.409CS..Hα-helixtrans-67.8-35.2173.9167.70000111.4L122 Y144 E145 E146 K152L122-V148 HydrophobicContact CD2-CG1 3.95Å; Y144-V148 HydrophobicContact CD2-CG2 4.26Å; Y144-V148 HydrophobicContact CE1-CG2 4.13Å; Y144-V148 HydrophobicContact CE2-CG2 3.81Å; Y144-V148 VanDerWaalsContact O-CG2 3.31Å; Y144-V148 WeakPolarHBondContact O-CG2 3.02Å; Y144-V148 PolarHBondContact O-N 3.42Å; E145-V148 PolarHBondContact O-N 3.3Å; E146-V148 VanDerWaalsContact C-N 3.33Å; E146-V148 PolarHBondContact O-N 2.71Å; V148-K152 WeakPolarHBondContact O-CG 3.49Å; V148-K152 PolarHBondContact O-N 2.95Å
149E87Confident87.3Confident115 Ų11584 Ų8454%0.53741%0.408SS..Hα-helixtrans-67.6-47.4173.6-60.7-105.5108.500111.4E145 E146 F151 K152 T153E145-E149 WeakPolarHBondContact O-CG 3.41Å; E145-E149 PolarHBondContact O-N 3.14Å; E146-E149 WeakPolarHBondContact O-CB 3.42Å; E146-E149 PolarHBondContact O-N 3.47Å; E149-F151 VanDerWaalsContact C-N 3.31Å; E149-F151 PolarHBondContact O-N 3.41Å; E149-K152 WeakPolarHBondContact O-CB 3.38Å; E149-K152 PolarHBondContact O-N 3.45Å; E149-K152 VanDerWaalsContact O-N 3.07Å; E149-K152 IonicContact OE1-NZ 2.85Å; E149-K152 PolarHBondContact OE1-NZ 3.38Å; E149-T153 PolarHBondContact O-N 2.81Å
150G88.6Confident87.1Confident21 Ų2183.7 Ų83.722%0.21641%0.407CS..Hα-helixtrans-59.9-38.3174.600000112.9E146 K152 T153 Y154E146-G150 PolarHBondContact O-N 2.96Å; G150-K152 VanDerWaalsContact C-N 3.31Å; G150-K152 PolarHBondContact O-N 2.88Å; G150-T153 PolarHBondContact O-N 2.98Å; G150-T153 PolarHBondContact O-OG1 3.49Å; G150-Y154 WeakPolarHBondContact O-CD2 3.19Å; G150-Y154 PolarHBondContact O-N 3.29Å; G150-Y154 VanDerWaalsContact O-N 3.08Å
151F90.3Very high86.8Confident57 Ų5785.8 Ų85.825%0.2541%0.414CS..Hα-helixtrans-60.9-38.5173.3176.1-103.8000112.5Y117 L118 F121 L122 L147 E149 H155Y117-F151 HydrophobicContact CE1-CZ 4.4Å; L118-F151 HydrophobicContact CD2-CE1 3.74Å; L118-F151 HydrophobicContact CD2-CZ 4.11Å; F121-F151 HydrophobicContact CB-CD1 4.2Å; F121-F151 HydrophobicContact CB-CE1 3.77Å; F121-F151 HydrophobicContact CB-CZ 4.2Å; F121-F151 HydrophobicContact CD2-CE1 4.35Å; F121-F151 HydrophobicContact CD2-CZ 4.01Å; F121-F151 HydrophobicContact CG-CE1 4.31Å; F121-F151 HydrophobicContact CG-CZ 4.25Å; L122-F151 HydrophobicContact CD2-CD1 3.95Å; L122-F151 HydrophobicContact CD2-CE1 4.33Å; L147-F151 WeakPolarHBondContact O-CB 3.05Å; L147-F151 PolarHBondContact O-N 2.92Å; E149-F151 VanDerWaalsContact C-N 3.31Å; E149-F151 PolarHBondContact O-N 3.41Å; F151-H155 WeakPolarHBondContact O-CB 3.21Å; F151-H155 PolarHBondContact O-N 3.33Å
152K87.9Confident86.5Confident87 Ų8792.7 Ų92.738%0.37844%0.44SS..Hα-helixtrans-63.4-42.6176.6-63.8163.6-160.2163.70111.7L122 V148 E149 G150 K156L122-K152 HydrophobicContact CD2-CG 3.77Å; V148-K152 WeakPolarHBondContact O-CG 3.49Å; V148-K152 PolarHBondContact O-N 2.95Å; E149-K152 WeakPolarHBondContact O-CB 3.38Å; E149-K152 PolarHBondContact O-N 3.45Å; E149-K152 VanDerWaalsContact O-N 3.07Å; E149-K152 IonicContact OE1-NZ 2.85Å; E149-K152 PolarHBondContact OE1-NZ 3.38Å; G150-K152 VanDerWaalsContact C-N 3.31Å; G150-K152 PolarHBondContact O-N 2.88Å; K152-K156 WeakPolarHBondContact O-CB 3.43Å; K152-K156 PolarHBondContact O-N 2.96Å; K152-K156 VanDerWaalsContact O-N 3.1Å
153T88.8Confident86Confident71 Ų7192.7 Ų92.744%0.43645%0.45SS..Hα-helixtrans-68.1-52.5-178.655.30000110.8E149 G150 H155 K156 E157E149-T153 PolarHBondContact O-N 2.81Å; G150-T153 PolarHBondContact O-N 2.98Å; G150-T153 PolarHBondContact O-OG1 3.49Å; T153-H155 VanDerWaalsContact C-N 3.34Å; T153-H155 PolarHBondContact O-N 2.91Å; T153-K156 WeakPolarHBondContact O-CB 3.42Å; T153-K156 PolarHBondContact O-N 3.14Å; T153-K156 VanDerWaalsContact O-N 3.09Å; T153-E157 PolarHBondContact O-N 2.93Å
154Y89.1Confident85.4Confident160 Ų16091 Ų9163%0.62745%0.452SS*.Hα-helixtrans-60.8-39.4178.4-65-51.6000113G150 K156 E157 C158G150-Y154 WeakPolarHBondContact O-CD2 3.19Å; G150-Y154 PolarHBondContact O-N 3.29Å; G150-Y154 VanDerWaalsContact O-N 3.08Å; Y154-K156 VanDerWaalsContact C-N 3.35Å; Y154-E157 PolarHBondContact O-N 3.22Å; Y154-C158 WeakPolarHBondContact O-CB 3.25Å; Y154-C158 PolarHBondContact O-N 3.16Å; Y154-C158 PolarHBondContact O-SG 3.49Å
155H88.3Confident84.3Confident40 Ų4090.2 Ų90.219%0.18546%0.464CS..Hα-helixtrans-64.8-39.3175.8-173-68.2000111.8F151 T153 C158 E159F151-H155 WeakPolarHBondContact O-CB 3.21Å; F151-H155 PolarHBondContact O-N 3.33Å; T153-H155 VanDerWaalsContact C-N 3.34Å; T153-H155 PolarHBondContact O-N 2.91Å; H155-C158 PolarHBondContact O-N 2.95Å; H155-E159 WeakPolarHBondContact O-CB 3.26Å; H155-E159 PolarHBondContact O-N 3.41Å
156K87.2Confident83.1Confident144 Ų14496.3 Ų96.363%0.62649%0.49SS*.Hα-helixtrans-65.6-42.1177.3-173.5-179.1178.9-173.50111.6K152 T153 Y154 E159 N160K152-K156 WeakPolarHBondContact O-CB 3.43Å; K152-K156 PolarHBondContact O-N 2.96Å; K152-K156 VanDerWaalsContact O-N 3.1Å; T153-K156 WeakPolarHBondContact O-CB 3.42Å; T153-K156 PolarHBondContact O-N 3.14Å; T153-K156 VanDerWaalsContact O-N 3.09Å; Y154-K156 VanDerWaalsContact C-N 3.35Å; K156-E159 PolarHBondContact O-N 2.81Å; K156-N160 WeakPolarHBondContact O-CB 3.11Å; K156-N160 PolarHBondContact O-N 2.93Å; K156-N160 PolarHBondContact O-OD1 2.67Å
157E86.7Confident82.2Confident108 Ų10892 Ų9251%0.50548%0.476SS..Hα-helixtrans-64-45.2174.7-70.5171.5-17400111.9T153 Y154 E159 N160 L161T153-E157 PolarHBondContact O-N 2.93Å; Y154-E157 PolarHBondContact O-N 3.22Å; E157-E159 VanDerWaalsContact C-N 3.34Å; E157-E159 PolarHBondContact O-N 3.3Å; E157-N160 PolarHBondContact O-N 2.93Å; E157-L161 WeakPolarHBondContact O-CG 3.46Å; E157-L161 PolarHBondContact O-N 2.91Å
158C84.9Confident81.6Confident61 Ų6189.8 Ų89.841%0.41247%0.468SS..Hα-helixtrans-61.7-38175.9-75.10000113.2Y154 H155 R162Y154-C158 WeakPolarHBondContact O-CB 3.25Å; Y154-C158 PolarHBondContact O-N 3.16Å; Y154-C158 PolarHBondContact O-SG 3.49Å; H155-C158 PolarHBondContact O-N 2.95Å; C158-R162 VanDerWaalsContact O-CG 3.26Å; C158-R162 WeakPolarHBondContact O-CG 3.3Å; C158-R162 PolarHBondContact O-N 3.46Å; C158-R162 VanDerWaalsContact O-N 3.11Å
159E83Confident81.3Confident52 Ų5290.8 Ų90.824%0.24348%0.478CS..Hα-helixtrans-69.1-44.1175.1-85.3-76.6139.700111.8K114 H155 K156 E157 L161 R162 S163K114-E159 VanDerWaalsContact CE-OE1 3.24Å; K114-E159 WeakPolarHBondContact CE-OE1 3.48Å; K114-E159 VanDerWaalsContact NZ-CD 3.27Å; K114-E159 IonicContact NZ-OE1 3Å; K114-E159 PolarHBondContact NZ-OE1 2.89Å; K114-E159 VanDerWaalsContact NZ-OE1 3.12Å; K114-E159 IonicContact NZ-OE2 2.76Å; K114-E159 PolarHBondContact NZ-OE2 3.35Å; H155-E159 WeakPolarHBondContact O-CB 3.26Å; H155-E159 PolarHBondContact O-N 3.41Å; K156-E159 PolarHBondContact O-N 2.81Å; E157-E159 VanDerWaalsContact C-N 3.34Å; E157-E159 PolarHBondContact O-N 3.3Å; E159-L161 VanDerWaalsContact C-N 3.34Å; E159-L161 PolarHBondContact O-N 3.5Å; E159-R162 PolarHBondContact O-N 3.31Å; E159-S163 WeakPolarHBondContact O-CB 3.38Å; E159-S163 PolarHBondContact O-N 2.92Å; E159-S163 PolarHBondContact O-OG 3.26Å
160N83.3Confident81Confident92 Ų9290 Ų9049%0.49247%0.474SS..Hα-helixtrans-55.7-49.5174.5-72.4-10.1000110.8K156 E157 R162 S163 S164K156-N160 WeakPolarHBondContact O-CB 3.11Å; K156-N160 PolarHBondContact O-N 2.93Å; K156-N160 PolarHBondContact O-OD1 2.67Å; E157-N160 PolarHBondContact O-N 2.93Å; N160-R162 VanDerWaalsContact C-N 3.32Å; N160-R162 PolarHBondContact O-N 2.88Å; N160-S163 PolarHBondContact O-N 3.48Å; N160-S163 VanDerWaalsContact O-N 3.1Å; N160-S163 PolarHBondContact O-OG 3.13Å; N160-S164 PolarHBondContact O-N 3.03Å; N160-S164 PolarHBondContact O-OG 3.39Å
161L80.2Confident80.8Confident127 Ų12793.4 Ų93.467%0.66549%0.487SS*.Hα-helixtrans-63.3-32178.4-71171.8000113.8E157 E159 S164E157-L161 WeakPolarHBondContact O-CG 3.46Å; E157-L161 PolarHBondContact O-N 2.91Å; E159-L161 VanDerWaalsContact C-N 3.34Å; E159-L161 PolarHBondContact O-N 3.5Å; L161-S164 WeakPolarHBondContact CA-OG 3.37Å; L161-S164 PolarHBondContact O-OG 3.35Å
162R78.9Confident80.6Confident188 Ų18897.5 Ų97.571%0.70950%0.5SS*.Hα-helixtrans-72.6-35.5172.5-72.6173-153.7-135.85.8112C158 E159 N160C158-R162 VanDerWaalsContact O-CG 3.26Å; C158-R162 WeakPolarHBondContact O-CG 3.3Å; C158-R162 PolarHBondContact O-N 3.46Å; C158-R162 VanDerWaalsContact O-N 3.11Å; E159-R162 PolarHBondContact O-N 3.31Å; N160-R162 VanDerWaalsContact C-N 3.32Å; N160-R162 PolarHBondContact O-N 2.88Å
163S76.1Confident80.8Confident95 Ų95100.5 Ų100.566%0.66451%0.509SS*.Hα-helixtrans-75.7-26.8179.8740000113.8E159 N160 G165E159-S163 WeakPolarHBondContact O-CB 3.38Å; E159-S163 PolarHBondContact O-N 2.92Å; E159-S163 PolarHBondContact O-OG 3.26Å; N160-S163 PolarHBondContact O-N 3.48Å; N160-S163 VanDerWaalsContact O-N 3.1Å; N160-S163 PolarHBondContact O-OG 3.13Å; S163-G165 VanDerWaalsContact C-N 3.33Å
164S73.4Confident80.9Confident83 Ų83101.7 Ų101.758%0.5851%0.513SS*.THydrogen-bonded Turntrans-84.3-3.717960.60000114.1N160 L161N160-S164 PolarHBondContact O-N 3.03Å; N160-S164 PolarHBondContact O-OG 3.39Å; L161-S164 WeakPolarHBondContact CA-OG 3.37Å; L161-S164 PolarHBondContact O-OG 3.35Å
165G65.9Low81Confident52 Ų5297.8 Ų97.854%0.53650%0.502SS..  trans-83.5115.1-176.800000112.8S163S163-G165 VanDerWaalsContact C-N 3.33Å
166F60.6Low81.2Confident182 Ų18298.6 Ų98.680%0.79851%0.512SS*.  trans-53.7146.5158-72.3-86.6000110.1T168F166-T168 PolarHBondContact O-N 2.98Å
167S68.6Low81.6Confident53 Ų5394 Ų9437%0.37150%0.502SS..  trans-64.794.9-179.5-174.50000110.6A169 E170S167-A169 PolarHBondContact O-N 3.48Å; S167-E170 WeakPolarHBondContact O-CB 3.31Å; S167-E170 PolarHBondContact O-N 2.92Å
168T76.3Confident81.9Confident83 Ų8394.3 Ų94.351%0.50950%0.504SS..Hα-helixtrans-59.8-14.2177.863.80000112.9F166 R172F166-T168 PolarHBondContact O-N 2.98Å; T168-R172 VanDerWaalsContact CB-NH1 3.27Å; T168-R172 WeakPolarHBondContact O-CB 3.33Å; T168-R172 VanDerWaalsContact O-CG 3.3Å; T168-R172 WeakPolarHBondContact O-CG 3.35Å; T168-R172 VanDerWaalsContact O-CZ 3.23Å; T168-R172 PolarHBondContact O-N 3.28Å; T168-R172 VanDerWaalsContact O-N 3.11Å; T168-R172 PolarHBondContact O-NH1 2.95Å; T168-R172 PolarHBondContact OG1-NH1 3.46Å; T168-R172 PolarHBondContact OG1-NH2 3.3Å
169A81.3Confident82.3Confident36 Ų3696.9 Ų96.930%0.29851%0.51SS..Hα-helixtrans-75.9-20.2172.700000114.2S167 R173S167-A169 PolarHBondContact O-N 3.48Å; A169-R173 WeakPolarHBondContact O-CG 3.29Å; A169-R173 PolarHBondContact O-N 3.5Å; A169-R173 PolarHBondContact O-NE 2.87Å
170E82.3Confident82.9Confident98 Ų98100.4 Ų100.446%0.45853%0.527SS..Hα-helixtrans-81.3-51.7173.2-72.2165.1-176.500109.5S167 R172 R173 D174S167-E170 WeakPolarHBondContact O-CB 3.31Å; S167-E170 PolarHBondContact O-N 2.92Å; E170-R172 PolarHBondContact O-N 3.13Å; E170-R173 WeakPolarHBondContact O-CA 3.45Å; E170-R173 WeakPolarHBondContact O-CB 3.42Å; E170-R173 PolarHBondContact O-N 3.23Å; E170-R173 IonicContact OE1-NH2 3.14Å; E170-D174 PolarHBondContact O-N 2.83Å
171I83.8Confident83.5Confident93 Ų93101.9 Ų101.948%0.47753%0.531SS..Hα-helixtrans-54.1-40.9174.1-55.3175.6000111.4D174 I175I171-D174 PolarHBondContact O-N 3.42Å; I171-I175 HydrophobicContact CG2-CD1 3.93Å; I171-I175 WeakPolarHBondContact O-CB 3.2Å; I171-I175 WeakPolarHBondContact O-CD1 3.41Å; I171-I175 VanDerWaalsContact O-CG1 3.23Å; I171-I175 WeakPolarHBondContact O-CG1 3.26Å; I171-I175 PolarHBondContact O-N 2.98Å
172R87.1Confident84.2Confident143 Ų143102.2 Ų102.254%0.5453%0.527SS..Hα-helixtrans-64.2-38.8173.6-81-170.1-60.4-82.5-0.9113.4T168 E170 S176T168-R172 VanDerWaalsContact CB-NH1 3.27Å; T168-R172 WeakPolarHBondContact O-CB 3.33Å; T168-R172 VanDerWaalsContact O-CG 3.3Å; T168-R172 WeakPolarHBondContact O-CG 3.35Å; T168-R172 VanDerWaalsContact O-CZ 3.23Å; T168-R172 PolarHBondContact O-N 3.28Å; T168-R172 VanDerWaalsContact O-N 3.11Å; T168-R172 PolarHBondContact O-NH1 2.95Å; T168-R172 PolarHBondContact OG1-NH1 3.46Å; T168-R172 PolarHBondContact OG1-NH2 3.3Å; E170-R172 PolarHBondContact O-N 3.13Å; R172-S176 PolarHBondContact O-N 2.9Å; R172-S176 PolarHBondContact O-OG 2.86Å
173R91.3Very high85Confident149 Ų14996.9 Ų96.956%0.56251%0.513SS*.Hα-helixtrans-66.1-43.4176.3-85.1178.8-84.4138.1-13.4111.2A169 E170 S176 A177A169-R173 WeakPolarHBondContact O-CG 3.29Å; A169-R173 PolarHBondContact O-N 3.5Å; A169-R173 PolarHBondContact O-NE 2.87Å; E170-R173 WeakPolarHBondContact O-CA 3.45Å; E170-R173 WeakPolarHBondContact O-CB 3.42Å; E170-R173 PolarHBondContact O-N 3.23Å; E170-R173 IonicContact OE1-NH2 3.14Å; R173-S176 PolarHBondContact O-N 2.82Å; R173-A177 WeakPolarHBondContact O-CB 3.37Å; R173-A177 PolarHBondContact O-N 3.13Å
174D90.3Very high85.8Confident97 Ų9798.5 Ų98.552%0.51951%0.509SS..Hα-helixtrans-65.9-39.8179.1-61.3-15000111.5E170 I171 A177 M178E170-D174 PolarHBondContact O-N 2.83Å; I171-D174 PolarHBondContact O-N 3.42Å; D174-A177 PolarHBondContact O-N 3.07Å; D174-M178 WeakPolarHBondContact O-CE 3.27Å; D174-M178 WeakPolarHBondContact O-CG 3.31Å; D174-M178 PolarHBondContact O-N 3.3Å
175I90.8Very high86.8Confident77 Ų7799.6 Ų99.640%0.39551%0.508SS..Hα-helixtrans-60-49.9172.3-71166.3000110.7I171 A177 M178 E179I171-I175 HydrophobicContact CG2-CD1 3.93Å; I171-I175 WeakPolarHBondContact O-CB 3.2Å; I171-I175 WeakPolarHBondContact O-CD1 3.41Å; I171-I175 VanDerWaalsContact O-CG1 3.23Å; I171-I175 WeakPolarHBondContact O-CG1 3.26Å; I171-I175 PolarHBondContact O-N 2.98Å; I175-A177 VanDerWaalsContact C-N 3.32Å; I175-A177 PolarHBondContact O-N 2.94Å; I175-M178 HydrophobicContact CG1-CE 4.37Å; I175-M178 PolarHBondContact O-N 3.49Å; I175-E179 HydrophobicContact CG2-CG 4.37Å; I175-E179 WeakPolarHBondContact O-CG 3.39Å; I175-E179 PolarHBondContact O-N 3.24Å
176S94.4Very high88.2Confident57 Ų57101.2 Ų101.240%0.39950%0.504SS..Hα-helixtrans-61.8-38.3178.3-63.80000112.6R172 R173 E179 E180R172-S176 PolarHBondContact O-N 2.9Å; R172-S176 PolarHBondContact O-OG 2.86Å; R173-S176 PolarHBondContact O-N 2.82Å; S176-E179 PolarHBondContact O-N 3.06Å; S176-E180 WeakPolarHBondContact O-CG 3.49Å; S176-E180 PolarHBondContact O-N 3.27Å
177A94.2Very high89.8Confident49 Ų4997.7 Ų97.741%0.40549%0.489SS..Hα-helixtrans-63.3-45.5174.500000112.1R173 D174 I175 E179 E180 E181R173-A177 WeakPolarHBondContact O-CB 3.37Å; R173-A177 PolarHBondContact O-N 3.13Å; D174-A177 PolarHBondContact O-N 3.07Å; I175-A177 VanDerWaalsContact C-N 3.32Å; I175-A177 PolarHBondContact O-N 2.94Å; A177-E179 VanDerWaalsContact C-N 3.32Å; A177-E179 PolarHBondContact O-N 2.98Å; A177-E180 PolarHBondContact O-N 3.15Å; A177-E181 WeakPolarHBondContact O-CG 3.46Å; A177-E181 PolarHBondContact O-N 3.45Å
178M93.8Very high91.1Very high114 Ų114103.6 Ų103.656%0.56250%0.503SS*.Hα-helixtrans-64.5-34.1175.2-73-173.8-71.400112.8D174 I175 K182D174-M178 WeakPolarHBondContact O-CE 3.27Å; D174-M178 WeakPolarHBondContact O-CG 3.31Å; D174-M178 PolarHBondContact O-N 3.3Å; I175-M178 HydrophobicContact CG1-CE 4.37Å; I175-M178 PolarHBondContact O-N 3.49Å; M178-K182 VanDerWaalsContact O-CB 3.23Å; M178-K182 WeakPolarHBondContact O-CB 3.49Å; M178-K182 PolarHBondContact O-N 2.94Å
179E94.1Very high91.8Very high114 Ų114102.9 Ų102.953%0.53350%0.498SS..Hα-helixtrans-66.2-43.9173.5-74.1177.3153.200111.5I175 S176 A177 K182 D183I175-E179 HydrophobicContact CG2-CG 4.37Å; I175-E179 WeakPolarHBondContact O-CG 3.39Å; I175-E179 PolarHBondContact O-N 3.24Å; S176-E179 PolarHBondContact O-N 3.06Å; A177-E179 VanDerWaalsContact C-N 3.32Å; A177-E179 PolarHBondContact O-N 2.98Å; E179-K182 PolarHBondContact O-N 3.48Å; E179-D183 WeakPolarHBondContact O-CB 3.28Å; E179-D183 PolarHBondContact O-N 3.21Å
180E95.3Very high92.3Very high127 Ų127105.9 Ų105.959%0.59351%0.506SS*.Hα-helixtrans-62.7-45174.5-74.6-179-162.500112.5S176 A177 D183 Q184S176-E180 WeakPolarHBondContact O-CG 3.49Å; S176-E180 PolarHBondContact O-N 3.27Å; A177-E180 PolarHBondContact O-N 3.15Å; E180-D183 WeakPolarHBondContact O-CB 3.38Å; E180-D183 PolarHBondContact O-N 3.24Å; E180-Q184 WeakPolarHBondContact O-CG 3.41Å; E180-Q184 PolarHBondContact O-N 2.86Å
181E95.3Very high92.8Very high123 Ų123110.2 Ų110.258%0.57552%0.518SS*.Hα-helixtrans-61-45.1175.7-75.4-172.1172.800111.9A177 D183 Q184 L185A177-E181 WeakPolarHBondContact O-CG 3.46Å; A177-E181 PolarHBondContact O-N 3.45Å; E181-D183 VanDerWaalsContact C-N 3.3Å; E181-D183 PolarHBondContact O-N 2.84Å; E181-Q184 PolarHBondContact O-N 2.89Å; E181-L185 WeakPolarHBondContact O-CB 3.22Å; E181-L185 WeakPolarHBondContact O-CG 3.32Å; E181-L185 PolarHBondContact O-N 3.44Å
182K94.6Very high92.9Very high133 Ų133109.8 Ų109.858%0.57852%0.517SS*.Hα-helixtrans-57.5-44174.7174.6-172.4170.2-166.70111.2M178 E179 L185 L186M178-K182 VanDerWaalsContact O-CB 3.23Å; M178-K182 WeakPolarHBondContact O-CB 3.49Å; M178-K182 PolarHBondContact O-N 2.94Å; E179-K182 PolarHBondContact O-N 3.48Å; K182-L185 PolarHBondContact O-N 2.88Å; K182-L186 HydrophobicContact CG-CD1 4.23Å; K182-L186 WeakPolarHBondContact O-CB 3.4Å; K182-L186 WeakPolarHBondContact O-CG 3.41Å; K182-L186 PolarHBondContact O-N 3.45Å
183D95.1Very high92.9Very high77 Ų77108.9 Ų108.941%0.41252%0.516SS..Hα-helixtrans-65.1-40.3178.4-117.341.5000112.5E179 E180 E181 L186 K187E179-D183 WeakPolarHBondContact O-CB 3.28Å; E179-D183 PolarHBondContact O-N 3.21Å; E180-D183 WeakPolarHBondContact O-CB 3.38Å; E180-D183 PolarHBondContact O-N 3.24Å; E181-D183 VanDerWaalsContact C-N 3.3Å; E181-D183 PolarHBondContact O-N 2.84Å; D183-L186 PolarHBondContact O-N 3.34Å; D183-K187 WeakPolarHBondContact O-CB 3.28Å; D183-K187 WeakPolarHBondContact O-CD 3.47Å; D183-K187 VanDerWaalsContact O-CG 3.26Å; D183-K187 WeakPolarHBondContact O-CG 3.33Å; D183-K187 PolarHBondContact O-N 3.47Å; D183-K187 IonicContact OD2-NZ 2.72Å; D183-K187 PolarHBondContact OD2-NZ 3.45Å
184Q94.3Very high92.8Very high128 Ų128110 Ų11060%0.59852%0.521SS*.Hα-helixtrans-64-43.1173.6-70178.941.300111.6E180 E181 K187 R188E180-Q184 WeakPolarHBondContact O-CG 3.41Å; E180-Q184 PolarHBondContact O-N 2.86Å; E181-Q184 PolarHBondContact O-N 2.89Å; Q184-K187 PolarHBondContact O-N 2.85Å; Q184-R188 WeakPolarHBondContact O-CB 3.37Å; Q184-R188 PolarHBondContact O-N 3.5Å
185L94.4Very high92.6Very high107 Ų107114.2 Ų114.256%0.5653%0.529SS*.Hα-helixtrans-63.6-44175.7-72.6172.6000111.8E181 K182 R188 V189E181-L185 WeakPolarHBondContact O-CB 3.22Å; E181-L185 WeakPolarHBondContact O-CG 3.32Å; E181-L185 PolarHBondContact O-N 3.44Å; K182-L185 PolarHBondContact O-N 2.88Å; L185-R188 PolarHBondContact O-N 2.92Å; L185-V189 WeakPolarHBondContact O-CB 3.43Å; L185-V189 VanDerWaalsContact O-CG2 3.31Å; L185-V189 WeakPolarHBondContact O-CG2 3.41Å; L185-V189 PolarHBondContact O-N 3.37Å
186L93.8Very high92.4Very high86 Ų86112.8 Ų112.845%0.4552%0.524SS..Hα-helixtrans-59.3-49.5174.9-74.5172.2000111.4K182 D183 R188 V189 E190K182-L186 HydrophobicContact CG-CD1 4.23Å; K182-L186 WeakPolarHBondContact O-CB 3.4Å; K182-L186 WeakPolarHBondContact O-CG 3.41Å; K182-L186 PolarHBondContact O-N 3.45Å; D183-L186 PolarHBondContact O-N 3.34Å; L186-R188 VanDerWaalsContact C-N 3.27Å; L186-R188 PolarHBondContact O-N 3.48Å; L186-V189 PolarHBondContact O-N 3.06Å; L186-V189 VanDerWaalsContact O-N 3.15Å; L186-E190 PolarHBondContact O-N 3.39Å
187K95Very high92Very high108 Ų108115.1 Ų115.147%0.4753%0.529SS..Hα-helixtrans-58.8-37.2175.9-71.6160.5-171.7148.50112D183 Q184 R191D183-K187 WeakPolarHBondContact O-CB 3.28Å; D183-K187 WeakPolarHBondContact O-CD 3.47Å; D183-K187 VanDerWaalsContact O-CG 3.26Å; D183-K187 WeakPolarHBondContact O-CG 3.33Å; D183-K187 PolarHBondContact O-N 3.47Å; D183-K187 IonicContact OD2-NZ 2.72Å; D183-K187 PolarHBondContact OD2-NZ 3.45Å; Q184-K187 PolarHBondContact O-N 2.85Å; K187-R191 VanDerWaalsContact O-CG 3.27Å; K187-R191 WeakPolarHBondContact O-CG 3.43Å; K187-R191 PolarHBondContact O-N 2.96Å; K187-R191 VanDerWaalsContact O-N 3.15Å
188R95.1Very high91.6Very high176 Ų176117.7 Ų117.766%0.66454%0.544SS*.Hα-helixtrans-70.2-41.6175.4-171.4173.8-178.9169.1-0.5112.2Q184 L185 L186 R191 L192Q184-R188 WeakPolarHBondContact O-CB 3.37Å; Q184-R188 PolarHBondContact O-N 3.5Å; L185-R188 PolarHBondContact O-N 2.92Å; L186-R188 VanDerWaalsContact C-N 3.27Å; L186-R188 PolarHBondContact O-N 3.48Å; R188-R191 PolarHBondContact O-N 3.18Å; R188-L192 HydrophobicContact CG-CD1 4.38Å; R188-L192 WeakPolarHBondContact O-CG 3.26Å; R188-L192 PolarHBondContact O-N 2.91Å
189V91.7Very high91.2Very high69 Ų69115.2 Ų115.242%0.41854%0.535SS..Hα-helixtrans-64.5-42.5175.6167.70000111.1L185 L186 L192 K193L185-V189 WeakPolarHBondContact O-CB 3.43Å; L185-V189 VanDerWaalsContact O-CG2 3.31Å; L185-V189 WeakPolarHBondContact O-CG2 3.41Å; L185-V189 PolarHBondContact O-N 3.37Å; L186-V189 PolarHBondContact O-N 3.06Å; L186-V189 VanDerWaalsContact O-N 3.15Å; V189-L192 PolarHBondContact O-N 2.94Å; V189-K193 HydrophobicContact CG1-CD 4.25Å; V189-K193 HydrophobicContact CG1-CG 4.37Å; V189-K193 WeakPolarHBondContact O-CG 3.39Å; V189-K193 PolarHBondContact O-N 2.82Å
190E92.1Very high90.7Very high99 Ų99114.4 Ų114.446%0.46354%0.542SS..Hα-helixtrans-61.3-46.1174.5-75.4-176.2-162.900112.5L186 L192 K193 R194L186-E190 PolarHBondContact O-N 3.39Å; E190-L192 PolarHBondContact O-N 3.39Å; E190-K193 PolarHBondContact O-N 3.4Å; E190-R194 WeakPolarHBondContact O-CG 3.31Å; E190-R194 PolarHBondContact O-N 3.49Å; E190-R194 IonicContact OE2-NH2 3.73Å
191R91.8Very high90.1Very high188 Ų188114.3 Ų114.371%0.70955%0.546SS*.Hα-helixtrans-59.2-36.9175.2-73.1172.5-175.4-170.72.6112.1K187 R188 R195K187-R191 VanDerWaalsContact O-CG 3.27Å; K187-R191 WeakPolarHBondContact O-CG 3.43Å; K187-R191 PolarHBondContact O-N 2.96Å; K187-R191 VanDerWaalsContact O-N 3.15Å; R188-R191 PolarHBondContact O-N 3.18Å; R191-R195 WeakPolarHBondContact O-CG 3.39Å; R191-R195 PolarHBondContact O-N 2.87Å
192L87.7Confident89.7Confident85 Ų85110.9 Ų110.945%0.44553%0.529SS..Hα-helixtrans-72.4-43.2175.6-73.6167.9000112.1R188 V189 E190 R195 V196R188-L192 HydrophobicContact CG-CD1 4.38Å; R188-L192 WeakPolarHBondContact O-CG 3.26Å; R188-L192 PolarHBondContact O-N 2.91Å; V189-L192 PolarHBondContact O-N 2.94Å; E190-L192 PolarHBondContact O-N 3.39Å; L192-R195 PolarHBondContact O-N 2.88Å; L192-V196 WeakPolarHBondContact O-CG2 3.34Å; L192-V196 PolarHBondContact O-N 3.05Å
193K86.7Confident89.3Confident123 Ų123111.8 Ų111.854%0.53554%0.536SS..Hα-helixtrans-56.6-51.3175.6-78.3-178.4176.8-176.40111.6V189 E190 R195 V196 E197V189-K193 HydrophobicContact CG1-CD 4.25Å; V189-K193 HydrophobicContact CG1-CG 4.37Å; V189-K193 WeakPolarHBondContact O-CG 3.39Å; V189-K193 PolarHBondContact O-N 2.82Å; E190-K193 PolarHBondContact O-N 3.4Å; K193-R195 PolarHBondContact O-N 3.39Å; K193-V196 CarbonylContact O-C 3.58Å; K193-V196 PolarHBondContact O-N 3.15Å; K193-E197 VanDerWaalsContact O-CG 3.31Å; K193-E197 WeakPolarHBondContact O-CG 3.33Å; K193-E197 PolarHBondContact O-N 2.89Å
194R88.6Confident89Confident172 Ų172116.1 Ų116.165%0.64955%0.546SS*.Hα-helixtrans-57.2-33.5177.4-66.6-179.5-161.2-171.97.1113.4E190E190-R194 WeakPolarHBondContact O-CG 3.31Å; E190-R194 PolarHBondContact O-N 3.49Å; E190-R194 IonicContact OE2-NH2 3.73Å
195R87.2Confident88.6Confident186 Ų186115 Ų11570%0.70254%0.542SS*.Hα-helixtrans-75.2-27.9174.6-73.217765.2-166.1-0.2113.5R191 L192 K193 S198R191-R195 WeakPolarHBondContact O-CG 3.39Å; R191-R195 PolarHBondContact O-N 2.87Å; L192-R195 PolarHBondContact O-N 2.88Å; K193-R195 PolarHBondContact O-N 3.39Å; R195-S198 PolarHBondContact O-OG 2.75Å
196V86.2Confident88.4Confident48 Ų48114.1 Ų114.129%0.29154%0.537SS..Hα-helixtrans-88.3-31-179.2171.10000111.3L192 K193 S198 V199 H202 L206L192-V196 WeakPolarHBondContact O-CG2 3.34Å; L192-V196 PolarHBondContact O-N 3.05Å; K193-V196 CarbonylContact O-C 3.58Å; K193-V196 PolarHBondContact O-N 3.15Å; V196-S198 PolarHBondContact O-N 2.87Å; V196-V199 WeakPolarHBondContact O-CB 3.37Å; V196-V199 PolarHBondContact O-N 2.83Å; V196-H202 HydrophobicContact CG1-CB 3.89Å; V196-H202 WeakPolarHBondContact O-CB 3.47Å; V196-L206 HydrophobicContact CG1-CD1 3.79Å; V196-L206 HydrophobicContact CG1-CD2 4.04Å; V196-L206 HydrophobicContact CG1-CG 3.86Å
197E86.3Confident88.2Confident106 Ų106115.7 Ų115.750%0.49554%0.542SS..Hα-helixtrans-57.9-27.5173.9-76.8158-163.700113K193 V199K193-E197 VanDerWaalsContact O-CG 3.31Å; K193-E197 WeakPolarHBondContact O-CG 3.33Å; K193-E197 PolarHBondContact O-N 2.89Å; E197-V199 PolarHBondContact O-N 3.08Å
198S85.1Confident88Confident103 Ų103115.6 Ų115.672%0.7254%0.544SS*.THydrogen-bonded Turntrans-71.9-4.9174.468.90000114.3R195 V196R195-S198 PolarHBondContact O-OG 2.75Å; V196-S198 PolarHBondContact O-N 2.87Å
199V85.1Confident87.8Confident62 Ų62109.8 Ų109.838%0.37653%0.534SS..SBendtrans-96.3132.9179.8-173.20000110.2V196 E197 H202 M205V196-V199 WeakPolarHBondContact O-CB 3.37Å; V196-V199 PolarHBondContact O-N 2.83Å; E197-V199 PolarHBondContact O-N 3.08Å; V199-H202 HydrophobicContact CB-CB 4.37Å; V199-H202 VanDerWaalsContact O-CB 3.31Å; V199-H202 WeakPolarHBondContact O-CB 3.35Å; V199-H202 PolarHBondContact O-N 2.88Å; V199-H202 PolarHBondContact O-ND1 3.36Å; V199-H202 VanDerWaalsContact O-ND1 3.11Å; V199-M205 HydrophobicContact CG1-SD 4.07Å
200S82.8Confident87.8Confident97 Ų97115 Ų11568%0.67855%0.546SS*.THydrogen-bonded Turntrans-60.6137.7172.855.60000111.1H202S200-H202 PolarHBondContact O-N 3.38Å
201N84.1Confident87.9Confident125 Ų125115.8 Ų115.867%0.66855%0.549SS*.THydrogen-bonded Turntrans6023.9-176.5-60.5-35.1000115.2Q203 R204 M205N201-Q203 VanDerWaalsContact C-N 3.27Å; N201-Q203 PolarHBondContact O-N 2.91Å; N201-Q203 VanDerWaalsContact O-N 3.13Å; N201-R204 PolarHBondContact O-N 3.01Å; N201-R204 VanDerWaalsContact O-N 3.12Å; N201-M205 PolarHBondContact O-N 3.24Å; N201-M205 VanDerWaalsContact O-N 3.08Å
202H86.4Confident88Confident50 Ų50111.9 Ų111.923%0.23154%0.542CS..Hα-helixtrans-52.9-36.4-176.562.2-95.1000114.9V196 V199 S200 M205 L206V196-H202 HydrophobicContact CG1-CB 3.89Å; V196-H202 WeakPolarHBondContact O-CB 3.47Å; V199-H202 HydrophobicContact CB-CB 4.37Å; V199-H202 VanDerWaalsContact O-CB 3.31Å; V199-H202 WeakPolarHBondContact O-CB 3.35Å; V199-H202 PolarHBondContact O-N 2.88Å; V199-H202 PolarHBondContact O-ND1 3.36Å; V199-H202 VanDerWaalsContact O-ND1 3.11Å; S200-H202 PolarHBondContact O-N 3.38Å; H202-M205 PolarHBondContact O-N 3.35Å; H202-L206 VanDerWaalsContact O-CB 3.31Å; H202-L206 WeakPolarHBondContact O-CB 3.35Å; H202-L206 VanDerWaalsContact O-CG 3.3Å; H202-L206 WeakPolarHBondContact O-CG 3.4Å; H202-L206 PolarHBondContact O-N 2.84Å
203Q85.9Confident88.4Confident152 Ų152114.7 Ų114.771%0.7155%0.547SS*.Hα-helixtrans-60.9-49.2177.8-74.2174.2-12.800111.9N201 M205 L206 E207N201-Q203 VanDerWaalsContact C-N 3.27Å; N201-Q203 PolarHBondContact O-N 2.91Å; N201-Q203 VanDerWaalsContact O-N 3.13Å; Q203-M205 PolarHBondContact O-N 3.41Å; Q203-L206 PolarHBondContact O-N 3.09Å; Q203-E207 PolarHBondContact O-N 2.95Å
204R88.5Confident88.8Confident169 Ų169111.9 Ų111.964%0.63854%0.54SS*.Hα-helixtrans-66-37.9177.9-173.1177.3179-176.10.4111.8N201 E207 Q208N201-R204 PolarHBondContact O-N 3.01Å; N201-R204 VanDerWaalsContact O-N 3.12Å; R204-E207 PolarHBondContact O-N 3.35Å; R204-Q208 WeakPolarHBondContact O-CG 3.33Å; R204-Q208 PolarHBondContact O-N 3.47Å
205M87.1Confident88.9Confident104 Ų104108.6 Ų108.651%0.51253%0.532SS..Hα-helixtrans-67.4-39175.5-68.9-175.370.500112.5V199 N201 H202 Q203 Q208 A209V199-M205 HydrophobicContact CG1-SD 4.07Å; N201-M205 PolarHBondContact O-N 3.24Å; N201-M205 VanDerWaalsContact O-N 3.08Å; H202-M205 PolarHBondContact O-N 3.35Å; Q203-M205 PolarHBondContact O-N 3.41Å; M205-Q208 PolarHBondContact O-N 3.31Å; M205-A209 VanDerWaalsContact O-CB 3.22Å; M205-A209 WeakPolarHBondContact O-CB 3.49Å; M205-A209 PolarHBondContact O-N 2.89Å
206L88.7Confident89.2Confident88 Ų88105 Ų10546%0.46152%0.521SS..Hα-helixtrans-65.6-38.2174.6-80.2171.6000112V196 H202 Q203 A209 R210V196-L206 HydrophobicContact CG1-CD1 3.79Å; V196-L206 HydrophobicContact CG1-CD2 4.04Å; V196-L206 HydrophobicContact CG1-CG 3.86Å; H202-L206 VanDerWaalsContact O-CB 3.31Å; H202-L206 WeakPolarHBondContact O-CB 3.35Å; H202-L206 VanDerWaalsContact O-CG 3.3Å; H202-L206 WeakPolarHBondContact O-CG 3.4Å; H202-L206 PolarHBondContact O-N 2.84Å; Q203-L206 PolarHBondContact O-N 3.09Å; L206-A209 PolarHBondContact O-N 3.41Å; L206-R210 WeakPolarHBondContact O-CB 3.47Å; L206-R210 PolarHBondContact O-N 2.91Å
207E90.3Very high89.5Confident119 Ų119106.8 Ų106.856%0.55653%0.526SS*.Hα-helixtrans-66-46.3175.3-174.7165.5-14700111.7Q203 R204 A209 R210 Q211Q203-E207 PolarHBondContact O-N 2.95Å; R204-E207 PolarHBondContact O-N 3.35Å; E207-A209 PolarHBondContact O-N 3.43Å; E207-R210 WeakPolarHBondContact O-CB 3.42Å; E207-R210 PolarHBondContact O-N 2.86Å; E207-Q211 WeakPolarHBondContact O-CG 3.33Å; E207-Q211 PolarHBondContact O-N 2.85Å
208Q91.3Very high89.8Confident106 Ų106108.6 Ų108.650%0.49553%0.529SS..Hα-helixtrans-62.9-40.3173.6-72.9-179-36.100112.4R204 M205 R210 Q211 L212R204-Q208 WeakPolarHBondContact O-CG 3.33Å; R204-Q208 PolarHBondContact O-N 3.47Å; M205-Q208 PolarHBondContact O-N 3.31Å; Q208-R210 VanDerWaalsContact C-N 3.34Å; Q208-R210 PolarHBondContact O-N 3.01Å; Q208-Q211 PolarHBondContact O-N 3.49Å; Q208-L212 WeakPolarHBondContact O-CB 3.46Å; Q208-L212 PolarHBondContact O-N 2.91Å
209A90.5Very high90.2Very high55 Ų55109.4 Ų109.446%0.45552%0.521SS..Hα-helixtrans-65.4-36.8175.300000112M205 L206 E207 R213M205-A209 VanDerWaalsContact O-CB 3.22Å; M205-A209 WeakPolarHBondContact O-CB 3.49Å; M205-A209 PolarHBondContact O-N 2.89Å; L206-A209 PolarHBondContact O-N 3.41Å; E207-A209 PolarHBondContact O-N 3.43Å; A209-R213 WeakPolarHBondContact O-CB 3.28Å; A209-R213 PolarHBondContact O-N 3.44Å
210R92Very high90.6Very high179 Ų179112.7 Ų112.768%0.67553%0.532SS*.Hα-helixtrans-65.3-45.7173.2-177.9-176.9177.6-170.3-0.3111.3L206 E207 Q208 R213 V214L206-R210 WeakPolarHBondContact O-CB 3.47Å; L206-R210 PolarHBondContact O-N 2.91Å; E207-R210 WeakPolarHBondContact O-CB 3.42Å; E207-R210 PolarHBondContact O-N 2.86Å; Q208-R210 VanDerWaalsContact C-N 3.34Å; Q208-R210 PolarHBondContact O-N 3.01Å; R210-R213 PolarHBondContact O-N 2.94Å; R210-V214 WeakPolarHBondContact O-CG2 3.44Å; R210-V214 PolarHBondContact O-N 2.79Å
211Q94Very high91Very high114 Ų114110.7 Ų110.753%0.53352%0.518SS..Hα-helixtrans-59.5-48.7175.8-72171.8-0.700110.9E207 Q208 R213 V214 E215E207-Q211 WeakPolarHBondContact O-CG 3.33Å; E207-Q211 PolarHBondContact O-N 2.85Å; Q208-Q211 PolarHBondContact O-N 3.49Å; Q211-R213 VanDerWaalsContact C-N 3.31Å; Q211-R213 PolarHBondContact O-N 2.93Å; Q211-V214 PolarHBondContact O-N 3.48Å; Q211-E215 PolarHBondContact O-N 2.82Å
212L94.1Very high91.5Very high106 Ų106109.1 Ų109.156%0.55551%0.51SS*.Hα-helixtrans-60-38.8176.2-179.163000112.5Q208 K216Q208-L212 WeakPolarHBondContact O-CB 3.46Å; Q208-L212 PolarHBondContact O-N 2.91Å; L212-K216 WeakPolarHBondContact O-CB 3.24Å; L212-K216 WeakPolarHBondContact O-CG 3.22Å; L212-K216 PolarHBondContact O-N 3.21Å
213R95.2Very high91.8Very high145 Ų145110.4 Ų110.455%0.54752%0.521SS..Hα-helixtrans-65.6-44.5177-158.6-162.880-166.97.7111.6A209 R210 Q211 K216 E217A209-R213 WeakPolarHBondContact O-CB 3.28Å; A209-R213 PolarHBondContact O-N 3.44Å; R210-R213 PolarHBondContact O-N 2.94Å; Q211-R213 VanDerWaalsContact C-N 3.31Å; Q211-R213 PolarHBondContact O-N 2.93Å; R213-K216 PolarHBondContact O-N 3.49Å; R213-E217 IonicContact CZ-OE1 2.73Å; R213-E217 VanDerWaalsContact CZ-OE1 3.22Å; R213-E217 IonicContact NE-OE1 3.6Å; R213-E217 PolarHBondContact NE-OE1 3.13Å; R213-E217 IonicContact NH2-OE1 3.8Å; R213-E217 PolarHBondContact NH2-OE1 3.49Å; R213-E217 IonicContact NH2-OE2 2.66Å; R213-E217 WeakPolarHBondContact O-CG 3.33Å; R213-E217 PolarHBondContact O-N 3.11Å
214V94.9Very high92Very high64 Ų64109.1 Ų109.139%0.38852%0.515SS..Hα-helixtrans-65.1-42.5177.9170.90000111.4R210 Q211 K216 E217 R218R210-V214 WeakPolarHBondContact O-CG2 3.44Å; R210-V214 PolarHBondContact O-N 2.79Å; Q211-V214 PolarHBondContact O-N 3.48Å; V214-K216 VanDerWaalsContact C-N 3.32Å; V214-K216 PolarHBondContact O-N 3.28Å; V214-E217 PolarHBondContact O-N 2.86Å; V214-R218 WeakPolarHBondContact O-CB 3.12Å; V214-R218 PolarHBondContact O-N 2.83Å
215E92.1Very high92.2Very high103 Ų103105.8 Ų105.848%0.48151%0.506SS..Hα-helixtrans-69-29175.8-67.3-57.8149.100112.4Q211 R218 E219Q211-E215 PolarHBondContact O-N 2.82Å; E215-R218 WeakPolarHBondContact O-CB 3.36Å; E215-R218 PolarHBondContact O-N 3.29Å; E215-R218 IonicContact OE1-NH1 3.75Å; E215-R218 WeakPolarHBondContact OE2-CD 3.29Å; E215-R218 IonicContact OE2-NH1 2.66Å; E215-E219 WeakPolarHBondContact O-CB 3.25Å; E215-E219 PolarHBondContact O-N 2.84Å
216K92.9Very high92.5Very high111 Ų111107 Ų10748%0.48351%0.509SS..Hα-helixtrans-70.1-44.7169.6-78.9-173.5172.4-161.90113.3L212 R213 V214 R218 E219 E220L212-K216 WeakPolarHBondContact O-CB 3.24Å; L212-K216 WeakPolarHBondContact O-CG 3.22Å; L212-K216 PolarHBondContact O-N 3.21Å; R213-K216 PolarHBondContact O-N 3.49Å; V214-K216 VanDerWaalsContact C-N 3.32Å; V214-K216 PolarHBondContact O-N 3.28Å; K216-R218 PolarHBondContact O-N 3.49Å; K216-E219 PolarHBondContact O-N 2.86Å; K216-E219 VanDerWaalsContact O-N 3.14Å; K216-E220 WeakPolarHBondContact O-CB 3.39Å; K216-E220 WeakPolarHBondContact O-CG 3.28Å; K216-E220 PolarHBondContact O-N 3.5Å
217E92.6Very high92.7Very high85 Ų85108.6 Ų108.640%0.39751%0.514SS..Hα-helixtrans-57.2-36.3172.1-72.2164-166.800110.7R213 V214 S221R213-E217 IonicContact CZ-OE1 2.73Å; R213-E217 VanDerWaalsContact CZ-OE1 3.22Å; R213-E217 IonicContact NE-OE1 3.6Å; R213-E217 PolarHBondContact NE-OE1 3.13Å; R213-E217 IonicContact NH2-OE1 3.8Å; R213-E217 PolarHBondContact NH2-OE1 3.49Å; R213-E217 IonicContact NH2-OE2 2.66Å; R213-E217 WeakPolarHBondContact O-CG 3.33Å; R213-E217 PolarHBondContact O-N 3.11Å; V214-E217 PolarHBondContact O-N 2.86Å; E217-S221 WeakPolarHBondContact O-CB 3.41Å; E217-S221 PolarHBondContact O-N 3.22Å; E217-S221 PolarHBondContact O-OG 3.44Å
218R93.1Very high92.7Very high143 Ų143107.6 Ų107.654%0.5451%0.509SS..Hα-helixtrans-70.7-43.3174-167.3-176.4-173.2179.92.2112.8V214 E215 K216 S221 L222V214-R218 WeakPolarHBondContact O-CB 3.12Å; V214-R218 PolarHBondContact O-N 2.83Å; E215-R218 WeakPolarHBondContact O-CB 3.36Å; E215-R218 PolarHBondContact O-N 3.29Å; E215-R218 IonicContact OE1-NH1 3.75Å; E215-R218 WeakPolarHBondContact OE2-CD 3.29Å; E215-R218 IonicContact OE2-NH1 2.66Å; K216-R218 PolarHBondContact O-N 3.49Å; R218-S221 WeakPolarHBondContact CA-OG 3.39Å; R218-S221 PolarHBondContact O-OG 2.83Å; R218-L222 HydrophobicContact CG-CD1 4.11Å; R218-L222 WeakPolarHBondContact O-CB 3.41Å; R218-L222 VanDerWaalsContact O-CG 3.23Å; R218-L222 WeakPolarHBondContact O-CG 3.42Å; R218-L222 PolarHBondContact O-N 2.82Å
219E92.5Very high92.7Very high121 Ų121108.4 Ų108.457%0.56551%0.513SS*.Hα-helixtrans-59.3-49.9173.8-174.9179.5-17500110.7E215 K216 S221 L222 T223E215-E219 WeakPolarHBondContact O-CB 3.25Å; E215-E219 PolarHBondContact O-N 2.84Å; K216-E219 PolarHBondContact O-N 2.86Å; K216-E219 VanDerWaalsContact O-N 3.14Å; E219-S221 PolarHBondContact O-N 2.92Å; E219-L222 PolarHBondContact O-N 3Å; E219-T223 WeakPolarHBondContact O-CG2 3.46Å; E219-T223 PolarHBondContact O-N 2.85Å; E219-T223 PolarHBondContact O-OG1 3.12Å
220E93.5Very high92.8Very high130 Ų130112.3 Ų112.361%0.60752%0.52SS*.Hα-helixtrans-57.6-49.9177.1-73.5174.1-167.400111.6K216 L222 T223 H224K216-E220 WeakPolarHBondContact O-CB 3.39Å; K216-E220 WeakPolarHBondContact O-CG 3.28Å; K216-E220 PolarHBondContact O-N 3.5Å; E220-L222 PolarHBondContact O-N 3.48Å; E220-T223 WeakPolarHBondContact CA-OG1 3.18Å; E220-T223 PolarHBondContact O-N 3.1Å; E220-T223 PolarHBondContact O-OG1 2.6Å; E220-H224 PolarHBondContact O-N 2.57Å
221S91.6Very high92.7Very high55 Ų55107.8 Ų107.839%0.38551%0.509SS..Hα-helixtrans-63.1-38.2177.154.80000113.3E217 R218 E219 H224 Q225E217-S221 WeakPolarHBondContact O-CB 3.41Å; E217-S221 PolarHBondContact O-N 3.22Å; E217-S221 PolarHBondContact O-OG 3.44Å; R218-S221 WeakPolarHBondContact CA-OG 3.39Å; R218-S221 PolarHBondContact O-OG 2.83Å; E219-S221 PolarHBondContact O-N 2.92Å; S221-H224 PolarHBondContact O-N 2.95Å; S221-Q225 WeakPolarHBondContact O-CB 3.32Å; S221-Q225 WeakPolarHBondContact O-CG 3.32Å; S221-Q225 PolarHBondContact O-N 2.98Å
222L94.2Very high92.5Very high93 Ų93107.3 Ų107.349%0.48751%0.507SS..Hα-helixtrans-67.6-37.5173.9-73.8171.8000112.5R218 E219 E220 K226R218-L222 HydrophobicContact CG-CD1 4.11Å; R218-L222 WeakPolarHBondContact O-CB 3.41Å; R218-L222 VanDerWaalsContact O-CG 3.23Å; R218-L222 WeakPolarHBondContact O-CG 3.42Å; R218-L222 PolarHBondContact O-N 2.82Å; E219-L222 PolarHBondContact O-N 3Å; E220-L222 PolarHBondContact O-N 3.48Å; L222-K226 WeakPolarHBondContact O-CB 3.4Å; L222-K226 PolarHBondContact O-N 3.26Å
223T92.3Very high92.4Very high77 Ų77107.1 Ų107.147%0.47251%0.506SS..Hα-helixtrans-66.8-39.3174.661.10000111.6E219 E220 K226 Q227E219-T223 WeakPolarHBondContact O-CG2 3.46Å; E219-T223 PolarHBondContact O-N 2.85Å; E219-T223 PolarHBondContact O-OG1 3.12Å; E220-T223 WeakPolarHBondContact CA-OG1 3.18Å; E220-T223 PolarHBondContact O-N 3.1Å; E220-T223 PolarHBondContact O-OG1 2.6Å; T223-K226 PolarHBondContact O-N 2.83Å; T223-Q227 WeakPolarHBondContact O-CB 3Å; T223-Q227 PolarHBondContact O-N 2.83Å
224H90.9Very high92.1Very high125 Ų125105.6 Ų105.658%0.57950%0.503SS*.Hα-helixtrans-62.9-50.3174.6-167.575.9000111.5E220 S221 K226 Q227 E228E220-H224 PolarHBondContact O-N 2.57Å; S221-H224 PolarHBondContact O-N 2.95Å; H224-K226 VanDerWaalsContact C-N 3.32Å; H224-K226 PolarHBondContact O-N 3.35Å; H224-Q227 PolarHBondContact O-N 2.87Å; H224-Q227 VanDerWaalsContact O-N 3.12Å; H224-E228 PolarHBondContact O-N 3.31Å
225Q92.3Very high91.9Very high98 Ų98108.5 Ų108.546%0.45851%0.513SS..Hα-helixtrans-58-42.1174.8-74177.12.700112.2S221 Q227 E228 Q229S221-Q225 WeakPolarHBondContact O-CB 3.32Å; S221-Q225 WeakPolarHBondContact O-CG 3.32Å; S221-Q225 PolarHBondContact O-N 2.98Å; Q225-Q227 VanDerWaalsContact C-N 3.33Å; Q225-Q227 PolarHBondContact O-N 2.86Å; Q225-E228 PolarHBondContact O-N 2.84Å; Q225-Q229 WeakPolarHBondContact O-CB 3.34Å; Q225-Q229 VanDerWaalsContact O-CG 3.29Å; Q225-Q229 WeakPolarHBondContact O-CG 3.32Å; Q225-Q229 PolarHBondContact O-N 2.89Å
226K93.3Very high91.6Very high130 Ų130106.4 Ų106.457%0.56551%0.513SS*.Hα-helixtrans-64-37.2176.5-177.7-179.4-177.6177.40112.1L222 T223 H224 K230L222-K226 WeakPolarHBondContact O-CB 3.4Å; L222-K226 PolarHBondContact O-N 3.26Å; T223-K226 PolarHBondContact O-N 2.83Å; H224-K226 VanDerWaalsContact C-N 3.32Å; H224-K226 PolarHBondContact O-N 3.35Å; K226-K230 WeakPolarHBondContact O-CB 3.39Å; K226-K230 VanDerWaalsContact O-CG 3.31Å; K226-K230 WeakPolarHBondContact O-CG 3.27Å; K226-K230 PolarHBondContact O-N 3.03Å
227Q92.3Very high91.3Very high121 Ų121106.5 Ų106.557%0.56552%0.515SS*.Hα-helixtrans-70.6-41.7175.2-172.1171.94.400111.2T223 H224 Q225 K230 N231T223-Q227 WeakPolarHBondContact O-CB 3Å; T223-Q227 PolarHBondContact O-N 2.83Å; H224-Q227 PolarHBondContact O-N 2.87Å; H224-Q227 VanDerWaalsContact O-N 3.12Å; Q225-Q227 VanDerWaalsContact C-N 3.33Å; Q225-Q227 PolarHBondContact O-N 2.86Å; Q227-K230 PolarHBondContact O-N 2.83Å; Q227-N231 PolarHBondContact O-N 2.89Å; Q227-N231 PolarHBondContact O-ND2 2.72Å; Q227-N231 PolarHBondContact O-OD1 3.14Å
228E91.1Very high90.8Very high98 Ų98106.6 Ų106.646%0.45852%0.516SS..Hα-helixtrans-61.5-50175-163-167.116200111.6H224 Q225 K230 N231 Q232H224-E228 PolarHBondContact O-N 3.31Å; Q225-E228 PolarHBondContact O-N 2.84Å; E228-K230 VanDerWaalsContact C-N 3.32Å; E228-K230 PolarHBondContact O-N 3.48Å; E228-N231 WeakPolarHBondContact O-CB 3.45Å; E228-N231 PolarHBondContact O-N 2.85Å; E228-Q232 WeakPolarHBondContact O-CG 3.15Å; E228-Q232 PolarHBondContact O-N 3.46Å; E228-Q232 PolarHBondContact OE1-NE2 3.32Å
229Q92Very high90.5Very high124 Ų124108 Ų10858%0.57952%0.521SS*.Hα-helixtrans-59.9-39.8176.5-73.6175.82.100112.3Q225 Q232 L233Q225-Q229 WeakPolarHBondContact O-CB 3.34Å; Q225-Q229 VanDerWaalsContact O-CG 3.29Å; Q225-Q229 WeakPolarHBondContact O-CG 3.32Å; Q225-Q229 PolarHBondContact O-N 2.89Å; Q229-Q232 PolarHBondContact O-N 3.28Å; Q229-L233 WeakPolarHBondContact O-CB 3.24Å; Q229-L233 PolarHBondContact O-N 2.99Å
230K92.9Very high90.1Very high137 Ų137106.8 Ų106.860%0.59652%0.518SS*.Hα-helixtrans-61.5-42.7172.3-84-177.3169.7-164.60112.1K226 Q227 E228 L233 F234K226-K230 WeakPolarHBondContact O-CB 3.39Å; K226-K230 VanDerWaalsContact O-CG 3.31Å; K226-K230 WeakPolarHBondContact O-CG 3.27Å; K226-K230 PolarHBondContact O-N 3.03Å; Q227-K230 PolarHBondContact O-N 2.83Å; E228-K230 VanDerWaalsContact C-N 3.32Å; E228-K230 PolarHBondContact O-N 3.48Å; K230-L233 PolarHBondContact O-N 3.3Å; K230-F234 VanDerWaalsContact O-CB 3.31Å; K230-F234 WeakPolarHBondContact O-CB 3.43Å; K230-F234 PolarHBondContact O-N 3.37Å
231N88.6Confident89.6Confident84 Ų84104.4 Ų104.445%0.44951%0.509SS..Hα-helixtrans-65.9-42.3177.8-67.6-17000111.4Q227 E228 F234 Q235Q227-N231 PolarHBondContact O-N 2.89Å; Q227-N231 PolarHBondContact O-ND2 2.72Å; Q227-N231 PolarHBondContact O-OD1 3.14Å; E228-N231 WeakPolarHBondContact O-CB 3.45Å; E228-N231 PolarHBondContact O-N 2.85Å; N231-F234 PolarHBondContact O-N 3.42Å; N231-Q235 VanDerWaalsContact O-CG 3.28Å; N231-Q235 WeakPolarHBondContact O-CG 3.26Å; N231-Q235 PolarHBondContact O-N 2.88Å
232Q89.8Confident89.1Confident104 Ų104108.7 Ų108.749%0.48652%0.516SS..Hα-helixtrans-62.7-45.3175.3-68.8176.110.500111.6E228 Q229 Q235 A236E228-Q232 WeakPolarHBondContact O-CG 3.15Å; E228-Q232 PolarHBondContact O-N 3.46Å; E228-Q232 PolarHBondContact OE1-NE2 3.32Å; Q229-Q232 PolarHBondContact O-N 3.28Å; Q232-Q235 PolarHBondContact O-N 3.49Å; Q232-A236 WeakPolarHBondContact O-CB 3.46Å; Q232-A236 PolarHBondContact O-N 3.24Å
233L91.5Very high88.4Confident102 Ų102108.8 Ų108.853%0.53452%0.517SS..Hα-helixtrans-60.7-47.6175.7-176.7120.5000111.3Q229 K230 Q235 A236 E237Q229-L233 WeakPolarHBondContact O-CB 3.24Å; Q229-L233 PolarHBondContact O-N 2.99Å; K230-L233 PolarHBondContact O-N 3.3Å; L233-Q235 VanDerWaalsContact C-N 3.35Å; L233-Q235 PolarHBondContact O-N 3.36Å; L233-A236 WeakPolarHBondContact O-CB 3.36Å; L233-A236 PolarHBondContact O-N 2.88Å; L233-A236 VanDerWaalsContact O-N 3.13Å; L233-E237 WeakPolarHBondContact O-CG 3.44Å; L233-E237 PolarHBondContact O-N 3.33Å
234F90Very high88Confident113 Ų113109 Ų10950%0.49651%0.513SS..Hα-helixtrans-59.3-42.5176.6177.9-102.4000112.6K230 N231 A236 E237 Q238K230-F234 VanDerWaalsContact O-CB 3.31Å; K230-F234 WeakPolarHBondContact O-CB 3.43Å; K230-F234 PolarHBondContact O-N 3.37Å; N231-F234 PolarHBondContact O-N 3.42Å; F234-A236 VanDerWaalsContact C-N 3.35Å; F234-A236 PolarHBondContact O-N 2.91Å; F234-E237 PolarHBondContact O-N 3.27Å; F234-Q238 HydrophobicContact CE1-CG 4.17Å; F234-Q238 HydrophobicContact CE2-CG 4.4Å; F234-Q238 HydrophobicContact CZ-CG 4.14Å; F234-Q238 WeakPolarHBondContact O-CB 3.38Å; F234-Q238 WeakPolarHBondContact O-CG 3.42Å; F234-Q238 PolarHBondContact O-N 2.8Å
235Q89.8Confident87.5Confident125 Ų125106.9 Ų106.958%0.58450%0.503SS*.Hα-helixtrans-64-38.6174.6-72.7174.82100112.4N231 Q232 L233 R239N231-Q235 VanDerWaalsContact O-CG 3.28Å; N231-Q235 WeakPolarHBondContact O-CG 3.26Å; N231-Q235 PolarHBondContact O-N 2.88Å; Q232-Q235 PolarHBondContact O-N 3.49Å; L233-Q235 VanDerWaalsContact C-N 3.35Å; L233-Q235 PolarHBondContact O-N 3.36Å; Q235-R239 WeakPolarHBondContact O-CB 3.29Å; Q235-R239 PolarHBondContact O-N 3.48Å
236A86.7Confident87Confident59 Ų59107.6 Ų107.649%0.48851%0.506SS..Hα-helixtrans-66.9-44.1175.800000111.8Q232 L233 F234 R239 L240Q232-A236 WeakPolarHBondContact O-CB 3.46Å; Q232-A236 PolarHBondContact O-N 3.24Å; L233-A236 WeakPolarHBondContact O-CB 3.36Å; L233-A236 PolarHBondContact O-N 2.88Å; L233-A236 VanDerWaalsContact O-N 3.13Å; F234-A236 VanDerWaalsContact C-N 3.35Å; F234-A236 PolarHBondContact O-N 2.91Å; A236-R239 PolarHBondContact O-N 3.13Å; A236-L240 WeakPolarHBondContact O-CB 3.46Å; A236-L240 PolarHBondContact O-N 3.48Å
237E86.4Confident86.4Confident112 Ų112105.4 Ų105.452%0.52350%0.5SS..Hα-helixtrans-61.1-45.6174-73-177.2163.200111.7L233 F234 R239 L240 L241L233-E237 WeakPolarHBondContact O-CG 3.44Å; L233-E237 PolarHBondContact O-N 3.33Å; F234-E237 PolarHBondContact O-N 3.27Å; E237-R239 VanDerWaalsContact C-N 3.32Å; E237-R239 PolarHBondContact O-N 3.14Å; E237-L240 PolarHBondContact O-N 2.79Å; E237-L241 WeakPolarHBondContact O-CB 3.35Å; E237-L241 PolarHBondContact O-N 3.15Å
238Q82.8Confident85.9Confident88 Ų88103.3 Ų103.341%0.41149%0.489SS..Hα-helixtrans-63.5-34.6174.1-77.7-164-20.700113.1F234 R242F234-Q238 HydrophobicContact CE1-CG 4.17Å; F234-Q238 HydrophobicContact CE2-CG 4.4Å; F234-Q238 HydrophobicContact CZ-CG 4.14Å; F234-Q238 WeakPolarHBondContact O-CB 3.38Å; F234-Q238 WeakPolarHBondContact O-CG 3.42Å; F234-Q238 PolarHBondContact O-N 2.8Å; Q238-R242 WeakPolarHBondContact O-CG 3.29Å; Q238-R242 PolarHBondContact O-N 3.46Å; Q238-R242 VanDerWaalsContact O-N 3.11Å; Q238-R242 PolarHBondContact O-NE 2.89Å
239R86.5Confident85.2Confident171 Ų171101.3 Ų101.365%0.64548%0.482SS*.Hα-helixtrans-68-42.7174-174.5176.9-178.3172.60.5111Q235 A236 E237 R242 L243Q235-R239 WeakPolarHBondContact O-CB 3.29Å; Q235-R239 PolarHBondContact O-N 3.48Å; A236-R239 PolarHBondContact O-N 3.13Å; E237-R239 VanDerWaalsContact C-N 3.32Å; E237-R239 PolarHBondContact O-N 3.14Å; R239-R242 PolarHBondContact O-N 3.2Å; R239-L243 HydrophobicContact CG-CD1 4.27Å; R239-L243 WeakPolarHBondContact O-CG 3.39Å; R239-L243 PolarHBondContact O-N 3.35Å
240L83.1Confident84.5Confident97 Ų97101.5 Ų101.551%0.50849%0.486SS..Hα-helixtrans-63.5-42.8175.8-179.8152.2000111.4A236 E237 L243 Q244A236-L240 WeakPolarHBondContact O-CB 3.46Å; A236-L240 PolarHBondContact O-N 3.48Å; E237-L240 PolarHBondContact O-N 2.79Å; L240-L243 PolarHBondContact O-N 2.71Å; L240-Q244 HydrophobicContact CD2-CG 4.21Å; L240-Q244 WeakPolarHBondContact O-CB 2.81Å; L240-Q244 WeakPolarHBondContact O-CG 3.26Å; L240-Q244 PolarHBondContact O-N 3.37Å
241L82.9Confident83.9Confident80 Ų80103.7 Ų103.742%0.41949%0.491SS..Hα-helixtrans-58.5-48.5174.9-167.195.1000111.2E237 L243 Q244 Q245E237-L241 WeakPolarHBondContact O-CB 3.35Å; E237-L241 PolarHBondContact O-N 3.15Å; L241-L243 PolarHBondContact O-N 3.47Å; L241-Q244 PolarHBondContact O-N 2.9Å; L241-Q245 PolarHBondContact O-N 2.95Å
242R82.3Confident83.3Confident144 Ų144104.4 Ų104.454%0.54349%0.492SS..Hα-helixtrans-60.4-43.2177.1-76.6-178.9-71.4177.2-2.5112.7Q238 R239 Q245 Q246Q238-R242 WeakPolarHBondContact O-CG 3.29Å; Q238-R242 PolarHBondContact O-N 3.46Å; Q238-R242 VanDerWaalsContact O-N 3.11Å; Q238-R242 PolarHBondContact O-NE 2.89Å; R239-R242 PolarHBondContact O-N 3.2Å; R242-Q245 PolarHBondContact O-N 3.48Å; R242-Q246 WeakPolarHBondContact O-CG 3.25Å; R242-Q246 PolarHBondContact O-N 3.22Å
243L80Confident82.3Confident95 Ų95100.7 Ų100.750%0.49748%0.478SS..Hα-helixtrans-65.4-37.5176.3-71.1170.2000112.1R239 L240 L241 L247R239-L243 HydrophobicContact CG-CD1 4.27Å; R239-L243 WeakPolarHBondContact O-CG 3.39Å; R239-L243 PolarHBondContact O-N 3.35Å; L240-L243 PolarHBondContact O-N 2.71Å; L241-L243 PolarHBondContact O-N 3.47Å; L243-L247 VanDerWaalsContact O-CB 3.24Å; L243-L247 WeakPolarHBondContact O-CB 3.39Å; L243-L247 PolarHBondContact O-N 2.77Å
244Q82.4Confident81.3Confident83 Ų83100 Ų10039%0.38849%0.488SS..Hα-helixtrans-66.1-38.8173.8-75.8-175.6-5.400112.4L240 L241 L247 K248L240-Q244 HydrophobicContact CD2-CG 4.21Å; L240-Q244 WeakPolarHBondContact O-CB 2.81Å; L240-Q244 WeakPolarHBondContact O-CG 3.26Å; L240-Q244 PolarHBondContact O-N 3.37Å; L241-Q244 PolarHBondContact O-N 2.9Å; Q244-L247 PolarHBondContact O-N 2.87Å; Q244-K248 WeakPolarHBondContact O-CB 3.16Å; Q244-K248 PolarHBondContact O-N 2.89Å
245Q81.4Confident80.4Confident79 Ų7998.3 Ų98.337%0.36950%0.495SS..Hα-helixtrans-66-52.5176-172.1163.97.800110.5L241 R242 L247 K248 D249L241-Q245 PolarHBondContact O-N 2.95Å; R242-Q245 PolarHBondContact O-N 3.48Å; Q245-L247 PolarHBondContact O-N 3.48Å; Q245-L247 VanDerWaalsContact O-N 3.14Å; Q245-K248 CarbonylContact O-C 3.49Å; Q245-K248 WeakPolarHBondContact O-CA 3.4Å; Q245-K248 VanDerWaalsContact O-CB 3.31Å; Q245-K248 WeakPolarHBondContact O-CB 3.48Å; Q245-K248 PolarHBondContact O-N 3.5Å; Q245-D249 PolarHBondContact O-N 2.89Å; Q245-D249 VanDerWaalsContact O-OD2 3.07Å
246Q81.3Confident79Confident113 Ų11395.8 Ų95.853%0.52849%0.485SS..Hα-helixtrans-52.7-40.1174-73.3178-28.300112.9R242 D249 L250R242-Q246 WeakPolarHBondContact O-CG 3.25Å; R242-Q246 PolarHBondContact O-N 3.22Å; Q246-D249 PolarHBondContact O-N 2.91Å; Q246-L250 WeakPolarHBondContact O-CB 3.1Å; Q246-L250 VanDerWaalsContact O-CG 3.23Å; Q246-L250 WeakPolarHBondContact O-CG 3.45Å; Q246-L250 PolarHBondContact O-N 3.45Å
247L80.6Confident77.7Confident84 Ų8497.2 Ų97.244%0.4450%0.497SS..Hα-helixtrans-67.3-37.8176-172.3160.8000111.9L243 Q244 Q245 R251L243-L247 VanDerWaalsContact O-CB 3.24Å; L243-L247 WeakPolarHBondContact O-CB 3.39Å; L243-L247 PolarHBondContact O-N 2.77Å; Q244-L247 PolarHBondContact O-N 2.87Å; Q245-L247 PolarHBondContact O-N 3.48Å; Q245-L247 VanDerWaalsContact O-N 3.14Å; L247-R251 HydrophobicContact CD2-CG 4.39Å; L247-R251 VanDerWaalsContact CD2-CZ 3.41Å; L247-R251 WeakPolarHBondContact O-CG 3.26Å; L247-R251 PolarHBondContact O-N 2.8Å
248K81.3Confident77.1Confident77 Ų7798.4 Ų98.434%0.33550%0.502SS..Hα-helixtrans-66.5-44.3173-176.8-176.1169.5-1760111.2Q244 Q245 L250 R251 Q252 E373Q244-K248 WeakPolarHBondContact O-CB 3.16Å; Q244-K248 PolarHBondContact O-N 2.89Å; Q245-K248 CarbonylContact O-C 3.49Å; Q245-K248 WeakPolarHBondContact O-CA 3.4Å; Q245-K248 VanDerWaalsContact O-CB 3.31Å; Q245-K248 WeakPolarHBondContact O-CB 3.48Å; Q245-K248 PolarHBondContact O-N 3.5Å; K248-L250 PolarHBondContact O-N 2.95Å; K248-R251 CarbonylContact O-C 3.5Å; K248-R251 WeakPolarHBondContact O-CB 3.43Å; K248-R251 PolarHBondContact O-N 3.28Å; K248-R251 VanDerWaalsContact O-N 3.11Å; K248-Q252 WeakPolarHBondContact O-CG 3.05Å; K248-Q252 PolarHBondContact O-N 2.87Å; K248-E373 IonicContact NZ-OE1 2.7Å; K248-E373 PolarHBondContact NZ-OE1 3.16Å
249D78.1Confident76.7Confident57 Ų5798.8 Ų98.831%0.30551%0.512SS..Hα-helixtrans-64.2-41.6179.1-53.7-31.2000110.4Q245 Q246 R251 Q252 A253Q245-D249 PolarHBondContact O-N 2.89Å; Q245-D249 VanDerWaalsContact O-OD2 3.07Å; Q246-D249 PolarHBondContact O-N 2.91Å; D249-R251 PolarHBondContact O-N 3.47Å; D249-Q252 PolarHBondContact O-N 3.24Å; D249-A253 VanDerWaalsContact O-CB 3.25Å; D249-A253 WeakPolarHBondContact O-CB 3.42Å; D249-A253 PolarHBondContact O-N 2.93Å
250L77.1Confident76.4Confident128 Ų12897 Ų9767%0.6751%0.511SS*.Hα-helixtrans-62.4-38.1171.4-74.5169.3000112.7Q246 K248 A254Q246-L250 WeakPolarHBondContact O-CB 3.1Å; Q246-L250 VanDerWaalsContact O-CG 3.23Å; Q246-L250 WeakPolarHBondContact O-CG 3.45Å; Q246-L250 PolarHBondContact O-N 3.45Å; K248-L250 PolarHBondContact O-N 2.95Å; L250-A254 WeakPolarHBondContact O-CB 3.47Å; L250-A254 PolarHBondContact O-N 3.24Å
251R79.5Confident76.2Confident183 Ų18394.5 Ų94.569%0.69150%0.502SS*.Hα-helixtrans-68.6-34.4174.1-77.5177.1176.7172.60.7112.7L247 K248 D249 A255L247-R251 HydrophobicContact CD2-CG 4.39Å; L247-R251 VanDerWaalsContact CD2-CZ 3.41Å; L247-R251 WeakPolarHBondContact O-CG 3.26Å; L247-R251 PolarHBondContact O-N 2.8Å; K248-R251 CarbonylContact O-C 3.5Å; K248-R251 WeakPolarHBondContact O-CB 3.43Å; K248-R251 PolarHBondContact O-N 3.28Å; K248-R251 VanDerWaalsContact O-N 3.11Å; D249-R251 PolarHBondContact O-N 3.47Å; R251-A255 PolarHBondContact O-N 3.4Å
252Q76Confident75.9Confident99 Ų9993.9 Ų93.946%0.46350%0.498SS..Hα-helixtrans-74.3-40.2174.6-72.4-176.1-19.500111.5K248 D249 A254 A255 D256K248-Q252 WeakPolarHBondContact O-CG 3.05Å; K248-Q252 PolarHBondContact O-N 2.87Å; D249-Q252 PolarHBondContact O-N 3.24Å; Q252-A254 VanDerWaalsContact C-N 3.26Å; Q252-A254 PolarHBondContact O-N 3.5Å; Q252-A255 CarbonylContact O-C 3.56Å; Q252-A255 WeakPolarHBondContact O-CA 3.41Å; Q252-A255 WeakPolarHBondContact O-CB 3.35Å; Q252-A255 PolarHBondContact O-N 3.11Å; Q252-D256 PolarHBondContact O-N 2.86Å
253A69.4Low75.8Confident25 Ų2592.4 Ų92.421%0.20750%0.499CS..Hα-helixtrans-63.3-30.1172.700000112.8D249 A255 L262D249-A253 VanDerWaalsContact O-CB 3.25Å; D249-A253 WeakPolarHBondContact O-CB 3.42Å; D249-A253 PolarHBondContact O-N 2.93Å; A253-A255 VanDerWaalsContact C-N 3.26Å; A253-A255 PolarHBondContact O-N 2.89Å; A253-L262 HydrophobicContact CB-CD1 3.7Å; A253-L262 HydrophobicContact CB-CD2 4.03Å; A253-L262 HydrophobicContact CB-CG 4.5Å
254A69.9Low76Confident89 Ų8993.7 Ų93.774%0.73650%0.501SS*.THydrogen-bonded Turntrans-72.8-15.5170.900000113.7L250 Q252L250-A254 WeakPolarHBondContact O-CB 3.47Å; L250-A254 PolarHBondContact O-N 3.24Å; Q252-A254 VanDerWaalsContact C-N 3.26Å; Q252-A254 PolarHBondContact O-N 3.5Å
255A71.1Confident76Confident77 Ų7795.5 Ų95.564%0.63650%0.504SS*.THydrogen-bonded Turntrans-96.6-37.4174.500000112.5R251 Q252 A253 A257R251-A255 PolarHBondContact O-N 3.4Å; Q252-A255 CarbonylContact O-C 3.56Å; Q252-A255 WeakPolarHBondContact O-CA 3.41Å; Q252-A255 WeakPolarHBondContact O-CB 3.35Å; Q252-A255 PolarHBondContact O-N 3.11Å; A253-A255 VanDerWaalsContact C-N 3.26Å; A253-A255 PolarHBondContact O-N 2.89Å; A255-A257 PolarHBondContact O-N 3.25Å; A255-A257 VanDerWaalsContact O-N 3.13Å
256D59.7Low76Confident72 Ų7295.6 Ų95.639%0.38551%0.506SS..SBendtrans-78.687.6173.8-80.8-8.8000110.6Q252 H258 R265Q252-D256 PolarHBondContact O-N 2.86Å; D256-H258 PolarHBondContact O-N 3.33Å; D256-R265 IonicContact OD2-CZ 2.62Å; D256-R265 VanDerWaalsContact OD2-CZ 3.24Å; D256-R265 IonicContact OD2-NH1 2.83Å; D256-R265 PolarHBondContact OD2-NH1 2.98Å; D256-R265 IonicContact OD2-NH2 2.6Å; D256-R265 PolarHBondContact OD2-NH2 3.14Å
257A59.8Low76.3Confident89 Ų8995 Ų9574%0.73650%0.504SS*.  trans-67.219.8-170.700000117.2A255A255-A257 PolarHBondContact O-N 3.25Å; A255-A257 VanDerWaalsContact O-N 3.13Å
258H74.4Confident76.6Confident137 Ų13796.5 Ų96.563%0.63451%0.509SS*.  trans-121.9105.7-177-72.5-27.8000112.3D256 E260 S261 L262D256-H258 PolarHBondContact O-N 3.33Å; H258-E260 VanDerWaalsContact C-N 3.28Å; H258-E260 PolarHBondContact O-N 2.88Å; H258-S261 VanDerWaalsContact CB-OG 3.31Å; H258-S261 WeakPolarHBondContact CB-OG 3.2Å; H258-S261 PolarHBondContact O-N 2.97Å; H258-S261 PolarHBondContact O-OG 3.23Å; H258-L262 PolarHBondContact O-N 2.92Å
259P74.5Confident76.6Confident95 Ų9596.4 Ų96.462%0.61751%0.509SS*.Hα-helixtrans-58.4-32.4-179.1-27.935.9000114.8L262 M263P259-L262 PolarHBondContact O-N 3.49Å; P259-M263 PolarHBondContact O-N 2.97Å
260E80.3Confident77.1Confident135 Ų13599 Ų9963%0.63152%0.522SS*.Hα-helixtrans-66.4-39.7179.9-65.9-173.6-175.400113.1H258 L262 M263 K264H258-E260 VanDerWaalsContact C-N 3.28Å; H258-E260 PolarHBondContact O-N 2.88Å; E260-L262 VanDerWaalsContact C-N 3.32Å; E260-M263 PolarHBondContact O-N 3.43Å; E260-K264 WeakPolarHBondContact O-CG 3.49Å; E260-K264 PolarHBondContact O-N 3.44Å
261S78.4Confident77.7Confident44 Ų4498.8 Ų98.831%0.30852%0.515SS..Hα-helixtrans-68-33.8174.433.20000112H258 R265H258-S261 VanDerWaalsContact CB-OG 3.31Å; H258-S261 WeakPolarHBondContact CB-OG 3.2Å; H258-S261 PolarHBondContact O-N 2.97Å; H258-S261 PolarHBondContact O-OG 3.23Å; S261-R265 WeakPolarHBondContact O-CG 3.33Å; S261-R265 PolarHBondContact O-N 3.3Å; S261-R265 VanDerWaalsContact O-N 3.14Å
262L75.9Confident78Confident66 Ų6692.6 Ų92.635%0.34650%0.496SS..Hα-helixtrans-66.5-47174.5-178.563.1000111.3A253 H258 P259 E260 K264 R265 L266A253-L262 HydrophobicContact CB-CD1 3.7Å; A253-L262 HydrophobicContact CB-CD2 4.03Å; A253-L262 HydrophobicContact CB-CG 4.5Å; H258-L262 PolarHBondContact O-N 2.92Å; P259-L262 PolarHBondContact O-N 3.49Å; E260-L262 VanDerWaalsContact C-N 3.32Å; L262-K264 VanDerWaalsContact C-N 3.34Å; L262-K264 PolarHBondContact O-N 3.4Å; L262-R265 PolarHBondContact O-N 3.46Å; L262-L266 HydrophobicContact CD1-CD1 4.31Å; L262-L266 HydrophobicContact CD1-CG 4.43Å; L262-L266 HydrophobicContact CG-CD1 4.08Å; L262-L266 WeakPolarHBondContact O-CG 3.2Å; L262-L266 PolarHBondContact O-N 3.48Å
263M80.6Confident78.4Confident113 Ų11391.4 Ų91.456%0.55749%0.493SS*.Hα-helixtrans-61-41.5176.9-72.1-163.7-65.900112P259 E260 L266 E267P259-M263 PolarHBondContact O-N 2.97Å; E260-M263 PolarHBondContact O-N 3.43Å; M263-L266 PolarHBondContact O-N 2.85Å; M263-E267 WeakPolarHBondContact O-CB 3.31Å; M263-E267 WeakPolarHBondContact O-CG 3.4Å; M263-E267 PolarHBondContact O-N 2.92Å
264K85.1Confident79.4Confident123 Ų12392.9 Ų92.954%0.53550%0.501SS..Hα-helixtrans-60.6-46.2175.8-74.6171.8-178.61690112.7E260 L262 E267 E268E260-K264 WeakPolarHBondContact O-CG 3.49Å; E260-K264 PolarHBondContact O-N 3.44Å; L262-K264 VanDerWaalsContact C-N 3.34Å; L262-K264 PolarHBondContact O-N 3.4Å; K264-E267 PolarHBondContact O-N 3.11Å; K264-E268 WeakPolarHBondContact O-CG 3.18Å; K264-E268 PolarHBondContact O-N 2.89Å
265R82.1Confident80.2Confident120 Ų12090.2 Ų90.245%0.45347%0.473SS..Hα-helixtrans-61-45.2175.2-70.7-178.6-168.4153.66.6111.8D256 S261 L262 E267 E268 E269D256-R265 IonicContact OD2-CZ 2.62Å; D256-R265 VanDerWaalsContact OD2-CZ 3.24Å; D256-R265 IonicContact OD2-NH1 2.83Å; D256-R265 PolarHBondContact OD2-NH1 2.98Å; D256-R265 IonicContact OD2-NH2 2.6Å; D256-R265 PolarHBondContact OD2-NH2 3.14Å; S261-R265 WeakPolarHBondContact O-CG 3.33Å; S261-R265 PolarHBondContact O-N 3.3Å; S261-R265 VanDerWaalsContact O-N 3.14Å; L262-R265 PolarHBondContact O-N 3.46Å; R265-E267 PolarHBondContact O-N 3.22Å; R265-E268 PolarHBondContact O-N 2.87Å; R265-E269 WeakPolarHBondContact O-CG 3.36Å; R265-E269 PolarHBondContact O-N 2.84Å
266L80.8Confident80.8Confident81 Ų8188.3 Ų88.342%0.42445%0.451SS..Hα-helixtrans-64.1-39.3178-71.2172.2000112.3L262 M263 E269 I270L262-L266 HydrophobicContact CD1-CD1 4.31Å; L262-L266 HydrophobicContact CD1-CG 4.43Å; L262-L266 HydrophobicContact CG-CD1 4.08Å; L262-L266 WeakPolarHBondContact O-CG 3.2Å; L262-L266 PolarHBondContact O-N 3.48Å; M263-L266 PolarHBondContact O-N 2.85Å; L266-E269 PolarHBondContact O-N 3.5Å; L266-I270 WeakPolarHBondContact O-CB 3.46Å; L266-I270 WeakPolarHBondContact O-CD1 3.5Å; L266-I270 WeakPolarHBondContact O-CG1 3.27Å; L266-I270 PolarHBondContact O-N 2.89Å
267E87.4Confident82.1Confident101 Ų10189.6 Ų89.647%0.47246%0.461SS..Hα-helixtrans-62.8-41.6173.2-81-172.9-151.100112.6M263 K264 R265 I270 K271M263-E267 WeakPolarHBondContact O-CB 3.31Å; M263-E267 WeakPolarHBondContact O-CG 3.4Å; M263-E267 PolarHBondContact O-N 2.92Å; K264-E267 PolarHBondContact O-N 3.11Å; R265-E267 PolarHBondContact O-N 3.22Å; E267-I270 PolarHBondContact O-N 3.48Å; E267-K271 WeakPolarHBondContact O-CB 3.37Å; E267-K271 VanDerWaalsContact O-CD 3.31Å; E267-K271 WeakPolarHBondContact O-CD 3.21Å; E267-K271 WeakPolarHBondContact O-CG 3.31Å; E267-K271 PolarHBondContact O-N 3.01Å; E267-K271 IonicContact OE2-NZ 3.71Å; E267-K271 PolarHBondContact OE2-NZ 3.07Å
268E86.2Confident83.5Confident116 Ų11689.9 Ų89.954%0.54245%0.454SS..Hα-helixtrans-63.7-44.5175.7-74168.9-172.700111.1K264 R265 I270 K271 I272K264-E268 WeakPolarHBondContact O-CG 3.18Å; K264-E268 PolarHBondContact O-N 2.89Å; R265-E268 PolarHBondContact O-N 2.87Å; E268-I270 PolarHBondContact O-N 3.18Å; E268-K271 PolarHBondContact O-N 3.36Å; E268-I272 WeakPolarHBondContact O-CD1 3.46Å; E268-I272 VanDerWaalsContact O-CG1 3.27Å; E268-I272 WeakPolarHBondContact O-CG1 3.36Å; E268-I272 PolarHBondContact O-N 2.93Å
269E83.1Confident83.9Confident75 Ų7587 Ų8735%0.3544%0.44SS..Hα-helixtrans-62.5-40.9173.8-73.9-172.7169.300112.9R265 L266 I272 N273R265-E269 WeakPolarHBondContact O-CG 3.36Å; R265-E269 PolarHBondContact O-N 2.84Å; L266-E269 PolarHBondContact O-N 3.5Å; E269-I272 PolarHBondContact O-N 3.36Å; E269-N273 WeakPolarHBondContact O-CB 3.27Å; E269-N273 PolarHBondContact O-N 3.46Å; E269-N273 PolarHBondContact O-ND2 2.91Å
270I88.3Confident84.4Confident112 Ų11283.3 Ų83.357%0.57442%0.415SS*.Hα-helixtrans-64.7-41.4175.3-71164.4000110.6L266 E267 E268 S274L266-I270 WeakPolarHBondContact O-CB 3.46Å; L266-I270 WeakPolarHBondContact O-CD1 3.5Å; L266-I270 WeakPolarHBondContact O-CG1 3.27Å; L266-I270 PolarHBondContact O-N 2.89Å; E267-I270 PolarHBondContact O-N 3.48Å; E268-I270 PolarHBondContact O-N 3.18Å; I270-S274 VanDerWaalsContact O-CB 3.25Å; I270-S274 WeakPolarHBondContact O-CB 3.49Å; I270-S274 PolarHBondContact O-N 3.49Å; I270-S274 PolarHBondContact O-OG 2.99Å
271K88.4Confident84.7Confident122 Ų12280.7 Ų80.753%0.5341%0.405SS..Hα-helixtrans-64-39.5175.1-72.2159.9-167.3158.40111.9E267 E268 S274 Y275E267-K271 WeakPolarHBondContact O-CB 3.37Å; E267-K271 VanDerWaalsContact O-CD 3.31Å; E267-K271 WeakPolarHBondContact O-CD 3.21Å; E267-K271 WeakPolarHBondContact O-CG 3.31Å; E267-K271 PolarHBondContact O-N 3.01Å; E267-K271 IonicContact OE2-NZ 3.71Å; E267-K271 PolarHBondContact OE2-NZ 3.07Å; E268-K271 PolarHBondContact O-N 3.36Å; K271-S274 WeakPolarHBondContact CA-OG 3.44Å; K271-S274 PolarHBondContact O-OG 2.84Å; K271-Y275 PolarHBondContact O-N 2.89Å
272I85.9Confident85.3Confident54 Ų5481 Ų8128%0.27741%0.405SS..Hα-helixtrans-69.1-50.4175.6-69.3160.7000110.7E268 E269 S274 Y275 M276 L362E268-I272 WeakPolarHBondContact O-CD1 3.46Å; E268-I272 VanDerWaalsContact O-CG1 3.27Å; E268-I272 WeakPolarHBondContact O-CG1 3.36Å; E268-I272 PolarHBondContact O-N 2.93Å; E269-I272 PolarHBondContact O-N 3.36Å; I272-S274 PolarHBondContact O-N 3.48Å; I272-Y275 PolarHBondContact O-N 2.89Å; I272-M276 WeakPolarHBondContact O-CG 3.2Å; I272-M276 PolarHBondContact O-N 3.26Å; I272-L362 HydrophobicContact CD1-CD2 4.05Å; I272-L362 HydrophobicContact CG1-CD2 4.37Å; I272-L362 HydrophobicContact CG2-CD2 3.81Å
273N85.4Confident85.8Confident74 Ų7483.6 Ų83.640%0.39641%0.414SS..Hα-helixtrans-66.6-37.1-176.7-69.6-24.2000111.8E269 M276 V277E269-N273 WeakPolarHBondContact O-CB 3.27Å; E269-N273 PolarHBondContact O-N 3.46Å; E269-N273 PolarHBondContact O-ND2 2.91Å; N273-M276 PolarHBondContact O-N 2.83Å; N273-V277 WeakPolarHBondContact O-CB 3.24Å; N273-V277 VanDerWaalsContact O-CG2 3.31Å; N273-V277 WeakPolarHBondContact O-CG2 3.48Å; N273-V277 PolarHBondContact O-N 3.25Å
274S89.6Confident86.1Confident56 Ų5682.2 Ų82.239%0.39241%0.406SS..Hα-helixtrans-61.2-48.5172.851.70000111.4I270 K271 I272 M276 V277 T278I270-S274 VanDerWaalsContact O-CB 3.25Å; I270-S274 WeakPolarHBondContact O-CB 3.49Å; I270-S274 PolarHBondContact O-N 3.49Å; I270-S274 PolarHBondContact O-OG 2.99Å; K271-S274 WeakPolarHBondContact CA-OG 3.44Å; K271-S274 PolarHBondContact O-OG 2.84Å; I272-S274 PolarHBondContact O-N 3.48Å; S274-M276 VanDerWaalsContact C-N 3.33Å; S274-M276 PolarHBondContact O-N 2.72Å; S274-V277 PolarHBondContact O-N 2.95Å; S274-V277 VanDerWaalsContact O-N 3.16Å; S274-T278 WeakPolarHBondContact O-CG2 3.44Å; S274-T278 PolarHBondContact O-N 3.32Å; S274-T278 PolarHBondContact O-OG1 3.42Å
275Y86.8Confident86.2Confident33 Ų3380.4 Ų80.413%0.12940%0.402CS..Hα-helixtrans-57.2-43174.3166.6-119.8000113.1K271 I272 V277 E279 K280 K355 A359K271-Y275 PolarHBondContact O-N 2.89Å; I272-Y275 PolarHBondContact O-N 2.89Å; Y275-V277 VanDerWaalsContact C-N 3.34Å; Y275-V277 PolarHBondContact O-N 3.49Å; Y275-E279 HydrophobicContact CD2-CB 3.65Å; Y275-E279 HydrophobicContact CD2-CG 4.11Å; Y275-E279 WeakPolarHBondContact CD2-OE2 3.37Å; Y275-E279 HydrophobicContact CE2-CB 3.59Å; Y275-E279 HydrophobicContact CE2-CG 4.29Å; Y275-E279 WeakPolarHBondContact CE2-OE2 3.43Å; Y275-E279 PolarHBondContact O-N 2.9Å; Y275-K280 PolarHBondContact O-N 3.42Å; Y275-K355 HydrophobicContact CD2-CD 4.31Å; Y275-K355 HydrophobicContact CE1-CD 4.43Å; Y275-K355 HydrophobicContact CE1-CG 4.15Å; Y275-K355 HydrophobicContact CE2-CD 3.7Å; Y275-K355 HydrophobicContact CE2-CG 4.29Å; Y275-A359 HydrophobicContact CE1-CB 3.92Å
276M83.6Confident86.6Confident36 Ų3679.1 Ų79.118%0.17740%0.401CS..Iπ-helixtrans-60.6-43176.3-69.1-63.9-68.100111.8I272 N273 S274 K280 L281I272-M276 WeakPolarHBondContact O-CG 3.2Å; I272-M276 PolarHBondContact O-N 3.26Å; N273-M276 PolarHBondContact O-N 2.83Å; S274-M276 VanDerWaalsContact C-N 3.33Å; S274-M276 PolarHBondContact O-N 2.72Å; M276-K280 HydrophobicContact CE-CD 3.95Å; M276-K280 HydrophobicContact SD-CB 4.16Å; M276-K280 HydrophobicContact SD-CD 3.77Å; M276-K280 HydrophobicContact SD-CG 4.44Å; M276-L281 HydrophobicContact CB-CD1 4.31Å; M276-L281 HydrophobicContact CE-CD2 4.35Å; M276-L281 HydrophobicContact CE-CG 4.29Å; M276-L281 VanDerWaalsContact O-CB 3.24Å; M276-L281 WeakPolarHBondContact O-CB 3.46Å; M276-L281 VanDerWaalsContact O-CG 3.29Å; M276-L281 WeakPolarHBondContact O-CG 3.03Å; M276-L281 PolarHBondContact O-N 3.44Å
277V87.8Confident87.1Confident99 Ų9976.8 Ų76.860%0.640%0.396SS*.Iπ-helixtrans-78.8-33.2-176.9171.90000113.3N273 S274 Y275 P282N273-V277 WeakPolarHBondContact O-CB 3.24Å; N273-V277 VanDerWaalsContact O-CG2 3.31Å; N273-V277 WeakPolarHBondContact O-CG2 3.48Å; N273-V277 PolarHBondContact O-N 3.25Å; S274-V277 PolarHBondContact O-N 2.95Å; S274-V277 VanDerWaalsContact O-N 3.16Å; Y275-V277 VanDerWaalsContact C-N 3.34Å; Y275-V277 PolarHBondContact O-N 3.49Å; V277-P282 WeakPolarHBondContact O-CD 3.49Å; V277-P282 WeakPolarHBondContact O-CG 3.33Å
278T87.8Confident87.3Confident95 Ų9577.5 Ų77.558%0.58340%0.403SS*.Iπ-helixtrans-92.1-31.5-176.960.50000113.8S274S274-T278 WeakPolarHBondContact O-CG2 3.44Å; S274-T278 PolarHBondContact O-N 3.32Å; S274-T278 PolarHBondContact O-OG1 3.42Å
279E84.3Confident87.4Confident76 Ų7679.6 Ų79.636%0.35541%0.406SS..Iπ-helixtrans-119.6-52.5-172.7-69.8178.3-141.100114.2Y275 K283 K355Y275-E279 HydrophobicContact CD2-CB 3.65Å; Y275-E279 HydrophobicContact CD2-CG 4.11Å; Y275-E279 WeakPolarHBondContact CD2-OE2 3.37Å; Y275-E279 HydrophobicContact CE2-CB 3.59Å; Y275-E279 HydrophobicContact CE2-CG 4.29Å; Y275-E279 WeakPolarHBondContact CE2-OE2 3.43Å; Y275-E279 PolarHBondContact O-N 2.9Å; E279-K283 WeakPolarHBondContact O-CD 3.36Å; E279-K283 WeakPolarHBondContact O-CG 3.27Å; E279-K355 VanDerWaalsContact CD-NZ 3.28Å; E279-K355 IonicContact OE1-NZ 2.67Å; E279-K355 PolarHBondContact OE1-NZ 3.28Å; E279-K355 VanDerWaalsContact OE1-NZ 3.14Å; E279-K355 IonicContact OE2-NZ 3.47Å; E279-K355 PolarHBondContact OE2-NZ 3.08Å
280K84.4Confident87.9Confident18 Ų1882.2 Ų82.28%0.07841%0.412CS..Iπ-helixtrans-75.6-63-171.8-172.5174.7174.4-1750112.3Y275 M276 K283 E284 A359 Q363Y275-K280 PolarHBondContact O-N 3.42Å; M276-K280 HydrophobicContact CE-CD 3.95Å; M276-K280 HydrophobicContact SD-CB 4.16Å; M276-K280 HydrophobicContact SD-CD 3.77Å; M276-K280 HydrophobicContact SD-CG 4.44Å; K280-K283 PolarHBondContact O-N 2.95Å; K280-E284 WeakPolarHBondContact CE-OE1 3.28Å; K280-E284 WeakPolarHBondContact CG-OE1 3.46Å; K280-E284 IonicContact NZ-OE1 2.7Å; K280-E284 PolarHBondContact O-N 3.44Å; K280-E284 VanDerWaalsContact O-N 3.15Å; K280-A359 HydrophobicContact CD-CB 4.36Å; K280-Q363 VanDerWaalsContact NZ-OE1 3.13Å
281L85.8Confident88.1Confident81 Ų8179.9 Ų79.942%0.42440%0.403SS..Hα-helixtrans-60.8-39.6-174.5-64.5169.9000113.8M276 K283 E284 L285M276-L281 HydrophobicContact CB-CD1 4.31Å; M276-L281 HydrophobicContact CE-CD2 4.35Å; M276-L281 HydrophobicContact CE-CG 4.29Å; M276-L281 VanDerWaalsContact O-CB 3.24Å; M276-L281 WeakPolarHBondContact O-CB 3.46Å; M276-L281 VanDerWaalsContact O-CG 3.29Å; M276-L281 WeakPolarHBondContact O-CG 3.03Å; M276-L281 PolarHBondContact O-N 3.44Å; L281-K283 PolarHBondContact O-N 3.47Å; L281-E284 PolarHBondContact O-N 3.13Å; L281-L285 WeakPolarHBondContact O-CB 3.1Å; L281-L285 PolarHBondContact O-N 3.41Å
282P91.1Very high88.1Confident49 Ų4978.1 Ų78.132%0.31840%0.403SS..Hα-helixtrans-62.7-40.2176.6-24.735.8000113.1V277 L285 E286V277-P282 WeakPolarHBondContact O-CD 3.49Å; V277-P282 WeakPolarHBondContact O-CG 3.33Å; P282-L285 PolarHBondContact O-N 3.38Å; P282-E286 WeakPolarHBondContact O-CB 3.44Å; P282-E286 WeakPolarHBondContact O-CG 3.31Å; P282-E286 PolarHBondContact O-N 3.06Å
283K88.1Confident88.3Confident121 Ų12180.9 Ų80.953%0.52641%0.414SS..Hα-helixtrans-66-45.2178.4-71.5174.8-170.8170.10111.8E279 K280 L281 E286 G287E279-K283 WeakPolarHBondContact O-CD 3.36Å; E279-K283 WeakPolarHBondContact O-CG 3.27Å; K280-K283 PolarHBondContact O-N 2.95Å; L281-K283 PolarHBondContact O-N 3.47Å; K283-E286 PolarHBondContact O-N 2.92Å; K283-G287 PolarHBondContact O-N 2.84Å
284E86.8Confident88.4Confident85 Ų8584.3 Ų84.340%0.39742%0.423SS..Hα-helixtrans-62.9-44.8176.7-70172.9171.600111.3K280 L281 G287 L288K280-E284 WeakPolarHBondContact CE-OE1 3.28Å; K280-E284 WeakPolarHBondContact CG-OE1 3.46Å; K280-E284 IonicContact NZ-OE1 2.7Å; K280-E284 PolarHBondContact O-N 3.44Å; K280-E284 VanDerWaalsContact O-N 3.15Å; L281-E284 PolarHBondContact O-N 3.13Å; E284-G287 WeakPolarHBondContact O-CA 3.48Å; E284-G287 PolarHBondContact O-N 3.47Å; E284-G287 VanDerWaalsContact O-N 3.16Å; E284-L288 WeakPolarHBondContact O-CG 3.37Å; E284-L288 PolarHBondContact O-N 3.07Å
285L85.9Confident88.2Confident84 Ų8488.1 Ų88.144%0.4444%0.436SS..Hα-helixtrans-68.8-35.5-180-170.7149.8000112.1L281 P282 R289L281-L285 WeakPolarHBondContact O-CB 3.1Å; L281-L285 PolarHBondContact O-N 3.41Å; P282-L285 PolarHBondContact O-N 3.38Å; L285-R289 HydrophobicContact CD2-CG 4.3Å; L285-R289 VanDerWaalsContact CD2-NE 3.34Å; L285-R289 WeakPolarHBondContact O-CB 3.43Å; L285-R289 VanDerWaalsContact O-CG 3.27Å; L285-R289 WeakPolarHBondContact O-CG 3.29Å; L285-R289 PolarHBondContact O-N 3.38Å
286E91.7Very high88Confident94 Ų9492.8 Ų92.844%0.43946%0.459SS..Hα-helixtrans-65-41.8167.5-82.5-170.4-148.900112.3P282 K283 R289 R290P282-E286 WeakPolarHBondContact O-CB 3.44Å; P282-E286 WeakPolarHBondContact O-CG 3.31Å; P282-E286 PolarHBondContact O-N 3.06Å; K283-E286 PolarHBondContact O-N 2.92Å; E286-R289 PolarHBondContact O-N 3.12Å; E286-R290 VanDerWaalsContact O-CG 3.24Å; E286-R290 WeakPolarHBondContact O-CG 3.43Å; E286-R290 PolarHBondContact O-N 3.37Å; E286-R290 IonicContact OE2-CZ 2.78Å; E286-R290 IonicContact OE2-NH2 3.25Å; E286-R290 PolarHBondContact OE2-NH2 3.38Å
287G91.6Very high88.1Confident31 Ų3196.8 Ų96.832%0.3248%0.476SS..Hα-helixtrans-56.7-50.2174.300000111.7K283 E284 R290 T291K283-G287 PolarHBondContact O-N 2.84Å; E284-G287 WeakPolarHBondContact O-CA 3.48Å; E284-G287 PolarHBondContact O-N 3.47Å; E284-G287 VanDerWaalsContact O-N 3.16Å; G287-R290 PolarHBondContact O-N 2.93Å; G287-T291 PolarHBondContact O-N 2.93Å
288L89.9Confident87.8Confident116 Ų11696.9 Ų96.961%0.60748%0.476SS*.Hα-helixtrans-64.3-37.9176-69.4172000112.8E284 R290 T291 V292E284-L288 WeakPolarHBondContact O-CG 3.37Å; E284-L288 PolarHBondContact O-N 3.07Å; L288-R290 VanDerWaalsContact C-N 3.34Å; L288-R290 PolarHBondContact O-N 3.42Å; L288-T291 WeakPolarHBondContact CA-OG1 3.49Å; L288-T291 PolarHBondContact O-N 3.38Å; L288-T291 PolarHBondContact O-OG1 3.21Å; L288-V292 WeakPolarHBondContact O-CB 3.46Å; L288-V292 VanDerWaalsContact O-CG2 3.29Å; L288-V292 WeakPolarHBondContact O-CG2 3.36Å; L288-V292 PolarHBondContact O-N 2.81Å
289R90Very high87.3Confident161 Ų16197.3 Ų97.361%0.60848%0.483SS*.Hα-helixtrans-62.9-40.4172.8-80.4176.4174.8171.10.5111.8L285 E286 Q293L285-R289 HydrophobicContact CD2-CG 4.3Å; L285-R289 VanDerWaalsContact CD2-NE 3.34Å; L285-R289 WeakPolarHBondContact O-CB 3.43Å; L285-R289 VanDerWaalsContact O-CG 3.27Å; L285-R289 WeakPolarHBondContact O-CG 3.29Å; L285-R289 PolarHBondContact O-N 3.38Å; E286-R289 PolarHBondContact O-N 3.12Å; R289-Q293 WeakPolarHBondContact O-CB 3.34Å; R289-Q293 VanDerWaalsContact O-CG 3.28Å; R289-Q293 WeakPolarHBondContact O-CG 3.37Å; R289-Q293 PolarHBondContact O-N 3.41Å
290R93.2Very high87.1Confident129 Ų12998.2 Ų98.249%0.48750%0.498SS..Hα-helixtrans-66.4-44.4176.7-68.2169.3-158-173.27.8111E286 G287 L288 V292 Q293 Y294E286-R290 VanDerWaalsContact O-CG 3.24Å; E286-R290 WeakPolarHBondContact O-CG 3.43Å; E286-R290 PolarHBondContact O-N 3.37Å; E286-R290 IonicContact OE2-CZ 2.78Å; E286-R290 IonicContact OE2-NH2 3.25Å; E286-R290 PolarHBondContact OE2-NH2 3.38Å; G287-R290 PolarHBondContact O-N 2.93Å; L288-R290 VanDerWaalsContact C-N 3.34Å; L288-R290 PolarHBondContact O-N 3.42Å; R290-V292 PolarHBondContact O-N 2.77Å; R290-Q293 PolarHBondContact O-N 2.9Å; R290-Y294 HydrophobicContact CB-CE2 4.04Å; R290-Y294 WeakPolarHBondContact O-CD2 3.41Å; R290-Y294 VanDerWaalsContact O-CG 3.29Å; R290-Y294 PolarHBondContact O-N 3.14Å
291T92Very high86.7Confident63 Ų63102.2 Ų102.239%0.38752%0.517SS..Hα-helixtrans-63.3-41.6176.357.70000112.2G287 L288 Y294 M295G287-T291 PolarHBondContact O-N 2.93Å; L288-T291 WeakPolarHBondContact CA-OG1 3.49Å; L288-T291 PolarHBondContact O-N 3.38Å; L288-T291 PolarHBondContact O-OG1 3.21Å; T291-Y294 PolarHBondContact O-N 2.82Å; T291-M295 WeakPolarHBondContact O-CG 3.37Å; T291-M295 PolarHBondContact O-N 2.97Å
292V87.6Confident86.2Confident85 Ų85103.8 Ų103.852%0.51553%0.531SS..Hα-helixtrans-61.1-44.4172.8170.70000111.4L288 R290 Y294 M295 Q296L288-V292 WeakPolarHBondContact O-CB 3.46Å; L288-V292 VanDerWaalsContact O-CG2 3.29Å; L288-V292 WeakPolarHBondContact O-CG2 3.36Å; L288-V292 PolarHBondContact O-N 2.81Å; R290-V292 PolarHBondContact O-N 2.77Å; V292-Y294 VanDerWaalsContact C-N 3.34Å; V292-Y294 PolarHBondContact O-N 3.28Å; V292-M295 PolarHBondContact O-N 2.89Å; V292-Q296 VanDerWaalsContact O-CB 3.27Å; V292-Q296 WeakPolarHBondContact O-CB 3.47Å; V292-Q296 PolarHBondContact O-N 3.25Å
293Q91.8Very high84.9Confident112 Ų112106.7 Ų106.752%0.52356%0.56SS.*Hα-helixtrans-61.4-39175.1-77.1175.4-2.100112.6R289 R290 K297R289-Q293 WeakPolarHBondContact O-CB 3.34Å; R289-Q293 VanDerWaalsContact O-CG 3.28Å; R289-Q293 WeakPolarHBondContact O-CG 3.37Å; R289-Q293 PolarHBondContact O-N 3.41Å; R290-Q293 PolarHBondContact O-N 2.9Å; Q293-K297 WeakPolarHBondContact O-CB 3.44Å; Q293-K297 WeakPolarHBondContact O-CG 3.27Å; Q293-K297 PolarHBondContact O-N 2.84Å
294Y86.6Confident84Confident146 Ų146105.2 Ų105.257%0.57356%0.556SS**Hα-helixtrans-66.8-46.1175.1-64.1-48.4000111.7R290 T291 V292 Q296 K297 V298R290-Y294 HydrophobicContact CB-CE2 4.04Å; R290-Y294 WeakPolarHBondContact O-CD2 3.41Å; R290-Y294 VanDerWaalsContact O-CG 3.29Å; R290-Y294 PolarHBondContact O-N 3.14Å; T291-Y294 PolarHBondContact O-N 2.82Å; V292-Y294 VanDerWaalsContact C-N 3.34Å; V292-Y294 PolarHBondContact O-N 3.28Å; Y294-Q296 VanDerWaalsContact C-N 3.3Å; Y294-Q296 PolarHBondContact O-N 2.92Å; Y294-K297 PolarHBondContact O-N 3.36Å; Y294-V298 WeakPolarHBondContact O-CG2 3.46Å; Y294-V298 PolarHBondContact O-N 3.28Å
295M84.9Confident83.4Confident136 Ų136102.8 Ų102.867%0.6755%0.553SS**Hα-helixtrans-61.7-38.2175.6-69.9178.2-177.600112.1T291 V292 V298 S299T291-M295 WeakPolarHBondContact O-CG 3.37Å; T291-M295 PolarHBondContact O-N 2.97Å; V292-M295 PolarHBondContact O-N 2.89Å; M295-V298 PolarHBondContact O-N 2.99Å; M295-S299 VanDerWaalsContact O-CB 3.27Å; M295-S299 WeakPolarHBondContact O-CB 3.17Å; M295-S299 PolarHBondContact O-N 3.21Å
296Q83.7Confident83Confident132 Ų132106.1 Ų106.162%0.61757%0.567SS**Hα-helixtrans-68.6-37.9177.2-167.4174.212.500111.8V292 Y294 S299 S300V292-Q296 VanDerWaalsContact O-CB 3.27Å; V292-Q296 WeakPolarHBondContact O-CB 3.47Å; V292-Q296 PolarHBondContact O-N 3.25Å; Y294-Q296 VanDerWaalsContact C-N 3.3Å; Y294-Q296 PolarHBondContact O-N 2.92Å; Q296-S299 PolarHBondContact O-N 2.82Å; Q296-S300 WeakPolarHBondContact O-CB 3.46Å; Q296-S300 PolarHBondContact O-N 2.93Å; Q296-S300 PolarHBondContact O-OG 3.46Å
297K84.6Confident82.4Confident120 Ų120104.9 Ų104.952%0.52257%0.573SS.*Hα-helixtrans-62-52.1171.1-77.9176.6175.6-173.80111.7Q293 Y294 S299 S300 E301Q293-K297 WeakPolarHBondContact O-CB 3.44Å; Q293-K297 WeakPolarHBondContact O-CG 3.27Å; Q293-K297 PolarHBondContact O-N 2.84Å; Y294-K297 PolarHBondContact O-N 3.36Å; K297-S299 PolarHBondContact O-N 2.91Å; K297-S300 WeakPolarHBondContact CA-OG 3.43Å; K297-S300 CarbonylContact O-C 3.57Å; K297-S300 WeakPolarHBondContact O-CA 3.27Å; K297-S300 PolarHBondContact O-N 3.25Å; K297-S300 PolarHBondContact O-OG 2.98Å; K297-E301 WeakPolarHBondContact O-CG 3.44Å; K297-E301 PolarHBondContact O-N 3.33Å
298V81.9Confident81.9Confident100 Ų100106.9 Ų106.961%0.60658%0.576SS**Hα-helixtrans-58.9-34.8177.7172.10000112Y294 M295Y294-V298 WeakPolarHBondContact O-CG2 3.46Å; Y294-V298 PolarHBondContact O-N 3.28Å; M295-V298 PolarHBondContact O-N 2.99Å
299S76.6Confident81.4Confident105 Ų105106 Ų10673%0.73457%0.571SS**Hα-helixtrans-71.7-31.1173.9-172.90000113.4M295 Q296 K297M295-S299 VanDerWaalsContact O-CB 3.27Å; M295-S299 WeakPolarHBondContact O-CB 3.17Å; M295-S299 PolarHBondContact O-N 3.21Å; Q296-S299 PolarHBondContact O-N 2.82Å; K297-S299 PolarHBondContact O-N 2.91Å
300S80.3Confident81.2Confident94 Ų94104.1 Ų104.166%0.65757%0.569SS**Hα-helixtrans-82.8-19.8176.469.60000114.1Q296 K297Q296-S300 WeakPolarHBondContact O-CB 3.46Å; Q296-S300 PolarHBondContact O-N 2.93Å; Q296-S300 PolarHBondContact O-OG 3.46Å; K297-S300 WeakPolarHBondContact CA-OG 3.43Å; K297-S300 CarbonylContact O-C 3.57Å; K297-S300 WeakPolarHBondContact O-CA 3.27Å; K297-S300 PolarHBondContact O-N 3.25Å; K297-S300 PolarHBondContact O-OG 2.98Å
301E77.2Confident81Confident103 Ų103103.3 Ų103.348%0.48157%0.571SS.*SBendtrans-71.8133174.2-77.5168.1-162.900109.6K297K297-E301 WeakPolarHBondContact O-CG 3.44Å; K297-E301 PolarHBondContact O-N 3.33Å
302P75.1Confident80.6Confident113 Ų113104.7 Ų104.773%0.73458%0.575SS**  trans-62.2146.6174.528-34.1000109.4M304P302-M304 PolarHBondContact O-N 2.82Å
303A64.4Low80.6Confident110 Ų110105.4 Ų105.491%0.90957%0.572SS**  trans-52.1102.2-174.400000112.3
304M67.4Low80.7Confident90 Ų90101.8 Ų101.844%0.44357%0.565SS.*  trans-61.7142.7178.9-90.2-168.315300111.2P302 D308 L309P302-M304 PolarHBondContact O-N 2.82Å; M304-D308 HydrophobicContact CB-CB 4.19Å; M304-D308 HydrophobicContact CE-CB 3.95Å; M304-D308 HydrophobicContact CG-CB 4.04Å; M304-D308 HydrophobicContact SD-CB 3.91Å; M304-L309 HydrophobicContact CB-CD2 4.4Å; M304-L309 HydrophobicContact CB-CG 4.34Å; M304-L309 HydrophobicContact SD-CD2 4.28Å
305G76.1Confident80.8Confident34 Ų3499.3 Ų99.335%0.35156%0.557SS.*  trans-70.6157.7170.300000111.2A307 D308 L309G305-A307 PolarHBondContact O-N 3.24Å; G305-A307 VanDerWaalsContact O-N 3.15Å; G305-D308 WeakPolarHBondContact CA-OD2 3.46Å; G305-D308 PolarHBondContact N-OD2 3.5Å; G305-D308 PolarHBondContact O-N 3.48Å; G305-L309 PolarHBondContact O-N 3.35Å
306Q76.3Confident81.1Confident155 Ų15597.5 Ų97.572%0.72455%0.549SS*.Hα-helixtrans-64-20.4177.6-166160.51.900113Q310Q306-Q310 VanDerWaalsContact O-CG 3.28Å; Q306-Q310 WeakPolarHBondContact O-CG 3.49Å; Q306-Q310 PolarHBondContact O-N 3.48Å
307A80.5Confident81.6Confident68 Ų6896.9 Ų96.956%0.56254%0.544SS*.Hα-helixtrans-70.8-42.6170.600000112.6G305 L309 Q310 E311G305-A307 PolarHBondContact O-N 3.24Å; G305-A307 VanDerWaalsContact O-N 3.15Å; A307-L309 VanDerWaalsContact C-N 3.32Å; A307-L309 PolarHBondContact O-N 2.87Å; A307-Q310 WeakPolarHBondContact O-CB 3.36Å; A307-Q310 PolarHBondContact O-N 3.49Å; A307-Q310 VanDerWaalsContact O-N 3.15Å; A307-E311 PolarHBondContact O-N 2.84Å
308D79Confident82.1Confident72 Ų7296.8 Ų96.839%0.38555%0.545SS..Hα-helixtrans-65.6-39.2179.5-47.2-45000110.7M304 G305 Q310 E311 M312M304-D308 HydrophobicContact CB-CB 4.19Å; M304-D308 HydrophobicContact CE-CB 3.95Å; M304-D308 HydrophobicContact CG-CB 4.04Å; M304-D308 HydrophobicContact SD-CB 3.91Å; G305-D308 WeakPolarHBondContact CA-OD2 3.46Å; G305-D308 PolarHBondContact N-OD2 3.5Å; G305-D308 PolarHBondContact O-N 3.48Å; D308-Q310 VanDerWaalsContact C-N 3.34Å; D308-Q310 PolarHBondContact O-N 3Å; D308-E311 PolarHBondContact O-N 3Å; D308-M312 WeakPolarHBondContact O-CG 3.44Å; D308-M312 PolarHBondContact O-N 3.11Å
309L80.4Confident82.6Confident98 Ų9895.5 Ų95.551%0.51354%0.538SS..Hα-helixtrans-62-39.6173-67.7175.7000112.1M304 G305 A307 M312 E313M304-L309 HydrophobicContact CB-CD2 4.4Å; M304-L309 HydrophobicContact CB-CG 4.34Å; M304-L309 HydrophobicContact SD-CD2 4.28Å; G305-L309 PolarHBondContact O-N 3.35Å; A307-L309 VanDerWaalsContact C-N 3.32Å; A307-L309 PolarHBondContact O-N 2.87Å; L309-M312 PolarHBondContact O-N 3.3Å; L309-E313 WeakPolarHBondContact O-CB 3.31Å; L309-E313 PolarHBondContact O-N 3.49Å
310Q86Confident83.3Confident121 Ų12194.2 Ų94.257%0.56552%0.523SS*.Hα-helixtrans-67.8-36.7175.5-76.2172.6-100112.4Q306 A307 D308 E313 G314Q306-Q310 VanDerWaalsContact O-CG 3.28Å; Q306-Q310 WeakPolarHBondContact O-CG 3.49Å; Q306-Q310 PolarHBondContact O-N 3.48Å; A307-Q310 WeakPolarHBondContact O-CB 3.36Å; A307-Q310 PolarHBondContact O-N 3.49Å; A307-Q310 VanDerWaalsContact O-N 3.15Å; D308-Q310 VanDerWaalsContact C-N 3.34Å; D308-Q310 PolarHBondContact O-N 3Å; Q310-E313 PolarHBondContact O-N 2.92Å; Q310-G314 PolarHBondContact O-N 3.44Å
311E88.1Confident83.9Confident113 Ų11392 Ų9253%0.52851%0.508SS..Hα-helixtrans-65.8-42.1174.1-165.1-170.2143.600111.3A307 D308 G314 K315A307-E311 PolarHBondContact O-N 2.84Å; D308-E311 PolarHBondContact O-N 3Å; E311-G314 PolarHBondContact O-N 3.38Å; E311-K315 WeakPolarHBondContact O-CG 3.18Å; E311-K315 PolarHBondContact O-N 3.13Å; E311-K315 WeakPolarHBondContact OE1-CE 3.46Å; E311-K315 IonicContact OE1-NZ 3.6Å; E311-K315 PolarHBondContact OE1-NZ 3Å
312M84.1Confident84.6Confident92 Ų9291.5 Ų91.545%0.45351%0.505SS..Hα-helixtrans-65.5-41.4175.1-70.5-67.3-76.600112.1D308 L309 G314 K315 I316D308-M312 WeakPolarHBondContact O-CG 3.44Å; D308-M312 PolarHBondContact O-N 3.11Å; L309-M312 PolarHBondContact O-N 3.3Å; M312-G314 VanDerWaalsContact C-N 3.3Å; M312-G314 PolarHBondContact O-N 3.08Å; M312-K315 PolarHBondContact O-N 2.71Å; M312-K315 HydrophobicContact SD-CD 4.39Å; M312-I316 VanDerWaalsContact O-CG1 3.31Å; M312-I316 WeakPolarHBondContact O-CG1 3.35Å; M312-I316 PolarHBondContact O-N 2.76Å
313E87.9Confident85.2Confident100 Ų10089.8 Ų89.847%0.46749%0.489SS..Hα-helixtrans-64.3-35.7174-160.9-168.7153.700111.7L309 Q310 I316 K317L309-E313 WeakPolarHBondContact O-CB 3.31Å; L309-E313 PolarHBondContact O-N 3.49Å; Q310-E313 PolarHBondContact O-N 2.92Å; E313-I316 PolarHBondContact O-N 2.82Å; E313-K317 WeakPolarHBondContact O-CG 3.31Å; E313-K317 PolarHBondContact O-N 3.46Å; E313-K317 VanDerWaalsContact OE1-CE 3.23Å; E313-K317 WeakPolarHBondContact OE1-CE 3.38Å; E313-K317 IonicContact OE1-NZ 2.82Å; E313-K317 PolarHBondContact OE1-NZ 3.33Å
314G92.9Very high86.3Confident35 Ų3588.9 Ų88.936%0.36147%0.469SS..Hα-helixtrans-61.4-48.5171.200000112.5Q310 E311 M312 I316 K317 E318Q310-G314 PolarHBondContact O-N 3.44Å; E311-G314 PolarHBondContact O-N 3.38Å; M312-G314 VanDerWaalsContact C-N 3.3Å; M312-G314 PolarHBondContact O-N 3.08Å; G314-I316 VanDerWaalsContact C-N 3.35Å; G314-I316 PolarHBondContact O-N 2.89Å; G314-K317 PolarHBondContact O-N 3.12Å; G314-E318 PolarHBondContact O-N 3.2Å
315K90.3Very high87.3Confident95 Ų9589.1 Ų89.141%0.41347%0.469SS..Hα-helixtrans-62.5-38.7176.1-71.5169.1-173.7164.60112.5E311 M312 E318 V319E311-K315 WeakPolarHBondContact O-CG 3.18Å; E311-K315 PolarHBondContact O-N 3.13Å; E311-K315 WeakPolarHBondContact OE1-CE 3.46Å; E311-K315 IonicContact OE1-NZ 3.6Å; E311-K315 PolarHBondContact OE1-NZ 3Å; M312-K315 PolarHBondContact O-N 2.71Å; M312-K315 HydrophobicContact SD-CD 4.39Å; K315-E318 PolarHBondContact O-N 2.83Å; K315-V319 WeakPolarHBondContact O-CB 3.46Å; K315-V319 WeakPolarHBondContact O-CG2 3.44Å; K315-V319 PolarHBondContact O-N 2.84Å
316I91.2Very high87.8Confident97 Ų9792.9 Ų92.950%0.49748%0.48SS..Hα-helixtrans-60.9-50.2174.1-70.5164.7000109.9M312 E313 G314 E318 V319 D320M312-I316 VanDerWaalsContact O-CG1 3.31Å; M312-I316 WeakPolarHBondContact O-CG1 3.35Å; M312-I316 PolarHBondContact O-N 2.76Å; E313-I316 PolarHBondContact O-N 2.82Å; G314-I316 VanDerWaalsContact C-N 3.35Å; G314-I316 PolarHBondContact O-N 2.89Å; I316-E318 VanDerWaalsContact C-N 3.3Å; I316-E318 PolarHBondContact O-N 3.5Å; I316-V319 PolarHBondContact O-N 2.81Å; I316-D320 WeakPolarHBondContact O-CB 3.4Å; I316-D320 PolarHBondContact O-N 3.32Å
317K93.6Very high87.9Confident120 Ų12089.4 Ų89.452%0.52247%0.466SS..Hα-helixtrans-60.9-37.5177.6-72.2167.3-174.6166.10112.9E313 G314 S321E313-K317 WeakPolarHBondContact O-CG 3.31Å; E313-K317 PolarHBondContact O-N 3.46Å; E313-K317 VanDerWaalsContact OE1-CE 3.23Å; E313-K317 WeakPolarHBondContact OE1-CE 3.38Å; E313-K317 IonicContact OE1-NZ 2.82Å; E313-K317 PolarHBondContact OE1-NZ 3.33Å; G314-K317 PolarHBondContact O-N 3.12Å; K317-S321 WeakPolarHBondContact O-CB 3.46Å; K317-S321 PolarHBondContact O-N 2.82Å
318E94.6Very high87.8Confident117 Ų11792.1 Ų92.155%0.54747%0.467SS..Hα-helixtrans-65.3-48.6175.1-167.5-177.2171.600111.3G314 K315 I316 D320 S321 Q322G314-E318 PolarHBondContact O-N 3.2Å; K315-E318 PolarHBondContact O-N 2.83Å; I316-E318 VanDerWaalsContact C-N 3.3Å; I316-E318 PolarHBondContact O-N 3.5Å; E318-D320 PolarHBondContact O-N 3.44Å; E318-S321 WeakPolarHBondContact O-CB 3.5Å; E318-S321 PolarHBondContact O-N 3.41Å; E318-S321 VanDerWaalsContact O-N 3.16Å; E318-S321 PolarHBondContact O-OG 3.35Å; E318-Q322 WeakPolarHBondContact O-CG 3.2Å; E318-Q322 PolarHBondContact O-N 2.99Å
319V93Very high87.8Confident73 Ų7395 Ų9544%0.44248%0.476SS..Hα-helixtrans-63.2-41.7177.31710000111.5K315 I316 S321 Q322 I323K315-V319 WeakPolarHBondContact O-CB 3.46Å; K315-V319 WeakPolarHBondContact O-CG2 3.44Å; K315-V319 PolarHBondContact O-N 2.84Å; I316-V319 PolarHBondContact O-N 2.81Å; V319-S321 VanDerWaalsContact C-N 3.3Å; V319-S321 PolarHBondContact O-N 2.85Å; V319-Q322 PolarHBondContact O-N 3.05Å; V319-Q322 VanDerWaalsContact O-N 3.14Å; V319-I323 HydrophobicContact CG1-CD1 3.81Å; V319-I323 HydrophobicContact CG1-CG1 4.33Å; V319-I323 VanDerWaalsContact O-CG1 3.32Å; V319-I323 WeakPolarHBondContact O-CG1 3.33Å; V319-I323 PolarHBondContact O-N 3.44Å
320D91.4Very high87.4Confident78 Ų7897.7 Ų97.742%0.41748%0.483SS..Hα-helixtrans-60.7-39.5173.8-75-24.8000111.3I316 E318 I323 N324I316-D320 WeakPolarHBondContact O-CB 3.4Å; I316-D320 PolarHBondContact O-N 3.32Å; E318-D320 PolarHBondContact O-N 3.44Å; D320-I323 PolarHBondContact O-N 3.49Å; D320-N324 WeakPolarHBondContact O-CB 3.42Å; D320-N324 VanDerWaalsContact O-CG 3.24Å; D320-N324 PolarHBondContact O-N 3.28Å; D320-N324 PolarHBondContact O-ND2 2.97Å; D320-N324 VanDerWaalsContact O-ND2 3.12Å
321S92.8Very high86.4Confident49 Ų4998.3 Ų98.334%0.34349%0.488SS..Hα-helixtrans-64.5-39.1174.184.40000112.3K317 E318 V319 N324 Q325K317-S321 WeakPolarHBondContact O-CB 3.46Å; K317-S321 PolarHBondContact O-N 2.82Å; E318-S321 WeakPolarHBondContact O-CB 3.5Å; E318-S321 PolarHBondContact O-N 3.41Å; E318-S321 VanDerWaalsContact O-N 3.16Å; E318-S321 PolarHBondContact O-OG 3.35Å; V319-S321 VanDerWaalsContact C-N 3.3Å; V319-S321 PolarHBondContact O-N 2.85Å; S321-N324 PolarHBondContact O-N 3.24Å; S321-Q325 VanDerWaalsContact O-CG 3.29Å; S321-Q325 WeakPolarHBondContact O-CG 3.4Å; S321-Q325 PolarHBondContact O-N 2.93Å
322Q91.9Very high85.3Confident92 Ų92101.1 Ų101.143%0.4350%0.503SS..Hα-helixtrans-68.2-40.3175.7-67.3176.320.100111.5E318 V319 Q325 L326E318-Q322 WeakPolarHBondContact O-CG 3.2Å; E318-Q322 PolarHBondContact O-N 2.99Å; V319-Q322 PolarHBondContact O-N 3.05Å; V319-Q322 VanDerWaalsContact O-N 3.14Å; Q322-Q325 PolarHBondContact O-N 3.45Å; Q322-L326 WeakPolarHBondContact O-CB 3.33Å; Q322-L326 VanDerWaalsContact O-CG 3.27Å; Q322-L326 WeakPolarHBondContact O-CG 3.33Å; Q322-L326 PolarHBondContact O-N 3.3Å
323I87.8Confident84.4Confident77 Ų77106.4 Ų106.440%0.39552%0.518SS..Hα-helixtrans-61.5-47174.2-71.8168.5000110.1V319 D320 Q325 L326 I327V319-I323 HydrophobicContact CG1-CD1 3.81Å; V319-I323 HydrophobicContact CG1-CG1 4.33Å; V319-I323 VanDerWaalsContact O-CG1 3.32Å; V319-I323 WeakPolarHBondContact O-CG1 3.33Å; V319-I323 PolarHBondContact O-N 3.44Å; D320-I323 PolarHBondContact O-N 3.49Å; I323-Q325 PolarHBondContact O-N 3.26Å; I323-L326 CarbonylContact O-C 3.58Å; I323-L326 PolarHBondContact O-N 2.83Å; I323-L326 VanDerWaalsContact O-N 3.13Å; I323-I327 HydrophobicContact CG2-CD1 3.73Å; I323-I327 HydrophobicContact CG2-CG1 4.4Å; I323-I327 VanDerWaalsContact O-CG1 3.31Å; I323-I327 WeakPolarHBondContact O-CG1 3.36Å; I323-I327 PolarHBondContact O-N 3.37Å
324N87.9Confident82.9Confident91 Ų91106.5 Ų106.549%0.48752%0.522SS..Hα-helixtrans-61.5-44.9177.3-72.3-32.2000111.7D320 S321 L326 I327 E328D320-N324 WeakPolarHBondContact O-CB 3.42Å; D320-N324 VanDerWaalsContact O-CG 3.24Å; D320-N324 PolarHBondContact O-N 3.28Å; D320-N324 PolarHBondContact O-ND2 2.97Å; D320-N324 VanDerWaalsContact O-ND2 3.12Å; S321-N324 PolarHBondContact O-N 3.24Å; N324-L326 VanDerWaalsContact C-N 3.29Å; N324-L326 PolarHBondContact O-N 3.16Å; N324-I327 PolarHBondContact O-N 3.03Å; N324-I327 VanDerWaalsContact O-N 3.16Å; N324-E328 WeakPolarHBondContact O-CG 3.34Å; N324-E328 PolarHBondContact O-N 2.71Å
325Q88.3Confident81.2Confident94 Ų94109.9 Ų109.944%0.43953%0.531SS..Hα-helixtrans-61.3-34.3173.5-72.7175.626.900113.2S321 Q322 I323 K329S321-Q325 VanDerWaalsContact O-CG 3.29Å; S321-Q325 WeakPolarHBondContact O-CG 3.4Å; S321-Q325 PolarHBondContact O-N 2.93Å; Q322-Q325 PolarHBondContact O-N 3.45Å; I323-Q325 PolarHBondContact O-N 3.26Å; Q325-K329 VanDerWaalsContact O-CB 3.3Å; Q325-K329 WeakPolarHBondContact O-CB 3.22Å; Q325-K329 WeakPolarHBondContact O-CD 3.39Å; Q325-K329 WeakPolarHBondContact O-CG 3.39Å; Q325-K329 PolarHBondContact O-N 3.43Å
326L85.1Confident79.7Confident113 Ų113110.2 Ų110.259%0.59254%0.544SS*.Hα-helixtrans-73.2-35175.1-73.6170.9000112Q322 I323 N324 K330Q322-L326 WeakPolarHBondContact O-CB 3.33Å; Q322-L326 VanDerWaalsContact O-CG 3.27Å; Q322-L326 WeakPolarHBondContact O-CG 3.33Å; Q322-L326 PolarHBondContact O-N 3.3Å; I323-L326 CarbonylContact O-C 3.58Å; I323-L326 PolarHBondContact O-N 2.83Å; I323-L326 VanDerWaalsContact O-N 3.13Å; N324-L326 VanDerWaalsContact C-N 3.29Å; N324-L326 PolarHBondContact O-N 3.16Å; L326-K330 VanDerWaalsContact O-CB 3.26Å; L326-K330 WeakPolarHBondContact O-CB 3.36Å; L326-K330 PolarHBondContact O-N 2.88Å
327I79.4Confident77.9Confident83 Ų83113.3 Ų113.343%0.42656%0.558SS.*Hα-helixtrans-65.5-47.8172.4-69.5166.2000110I323 N324 K330 M331I323-I327 HydrophobicContact CG2-CD1 3.73Å; I323-I327 HydrophobicContact CG2-CG1 4.4Å; I323-I327 VanDerWaalsContact O-CG1 3.31Å; I323-I327 WeakPolarHBondContact O-CG1 3.36Å; I323-I327 PolarHBondContact O-N 3.37Å; N324-I327 PolarHBondContact O-N 3.03Å; N324-I327 VanDerWaalsContact O-N 3.16Å; I327-K330 WeakPolarHBondContact O-CB 3.37Å; I327-K330 PolarHBondContact O-N 2.85Å; I327-K330 VanDerWaalsContact O-N 3.12Å; I327-M331 HydrophobicContact CG2-CG 4.48Å; I327-M331 HydrophobicContact CG2-SD 4.09Å; I327-M331 WeakPolarHBondContact O-CG 3.48Å; I327-M331 PolarHBondContact O-N 2.98Å
328E78.9Confident76.3Confident124 Ų124110.9 Ų110.958%0.57955%0.55SS**Hα-helixtrans-57.9-50.7174.5-73.2175.1174.900111.4N324 K330 M331 M332N324-E328 WeakPolarHBondContact O-CG 3.34Å; N324-E328 PolarHBondContact O-N 2.71Å; E328-K330 PolarHBondContact O-N 3.32Å; E328-M331 PolarHBondContact O-N 2.86Å; E328-M331 VanDerWaalsContact O-N 3.15Å; E328-M332 WeakPolarHBondContact O-CB 3.2Å; E328-M332 VanDerWaalsContact O-CG 3.25Å; E328-M332 WeakPolarHBondContact O-CG 3.5Å; E328-M332 PolarHBondContact O-N 2.91Å
329K79.1Confident74.8Confident132 Ų132108.9 Ų108.957%0.57454%0.543SS*.Hα-helixtrans-59-31.3175.5-76.6168.6-176.4167.20113Q325 R333Q325-K329 VanDerWaalsContact O-CB 3.3Å; Q325-K329 WeakPolarHBondContact O-CB 3.22Å; Q325-K329 WeakPolarHBondContact O-CD 3.39Å; Q325-K329 WeakPolarHBondContact O-CG 3.39Å; Q325-K329 PolarHBondContact O-N 3.43Å; K329-R333 VanDerWaalsContact O-CB 3.32Å; K329-R333 WeakPolarHBondContact O-CB 3.39Å; K329-R333 PolarHBondContact O-N 3.28Å
330K71.7Confident73.7Confident155 Ų155112.5 Ų112.567%0.67455%0.553SS**Hα-helixtrans-73.2-44.8175.1-173.9-178.9179.5-176.60111.6L326 I327 E328 M332 R333L326-K330 VanDerWaalsContact O-CB 3.26Å; L326-K330 WeakPolarHBondContact O-CB 3.36Å; L326-K330 PolarHBondContact O-N 2.88Å; I327-K330 WeakPolarHBondContact O-CB 3.37Å; I327-K330 PolarHBondContact O-N 2.85Å; I327-K330 VanDerWaalsContact O-N 3.12Å; E328-K330 PolarHBondContact O-N 3.32Å; K330-M332 VanDerWaalsContact C-N 3.3Å; K330-M332 PolarHBondContact O-N 2.93Å; K330-R333 CarbonylContact O-C 3.59Å; K330-R333 PolarHBondContact O-N 3.38Å; K330-R333 VanDerWaalsContact O-N 3.09Å
331M65.1Low72.9Confident134 Ų134113.1 Ų113.166%0.6656%0.556SS**Hα-helixtrans-66.6-31.1177.6-66.7-177.778.400112.6I327 E328 R333 N334I327-M331 HydrophobicContact CG2-CG 4.48Å; I327-M331 HydrophobicContact CG2-SD 4.09Å; I327-M331 WeakPolarHBondContact O-CG 3.48Å; I327-M331 PolarHBondContact O-N 2.98Å; E328-M331 PolarHBondContact O-N 2.86Å; E328-M331 VanDerWaalsContact O-N 3.15Å; M331-R333 PolarHBondContact O-N 2.7Å; M331-N334 PolarHBondContact O-OD1 2.84Å
332M65.3Low72Confident172 Ų172113.2 Ų113.285%0.84756%0.555SS**THydrogen-bonded Turntrans-76.2-7.1173.3-65.4-66.9-79.500113.6E328 K330E328-M332 WeakPolarHBondContact O-CB 3.2Å; E328-M332 VanDerWaalsContact O-CG 3.25Å; E328-M332 WeakPolarHBondContact O-CG 3.5Å; E328-M332 PolarHBondContact O-N 2.91Å; K330-M332 VanDerWaalsContact C-N 3.3Å; K330-M332 PolarHBondContact O-N 2.93Å
333R63.8Low71.4Confident204 Ų204113.9 Ų113.977%0.7756%0.561SS**THydrogen-bonded Turntrans-119.939.8-176.4-159.6-176.2176.8-170.3-1.1111.7K329 K330 M331 D335K329-R333 VanDerWaalsContact O-CB 3.32Å; K329-R333 WeakPolarHBondContact O-CB 3.39Å; K329-R333 PolarHBondContact O-N 3.28Å; K330-R333 CarbonylContact O-C 3.59Å; K330-R333 PolarHBondContact O-N 3.38Å; K330-R333 VanDerWaalsContact O-N 3.09Å; M331-R333 PolarHBondContact O-N 2.7Å; R333-D335 PolarHBondContact O-N 3.48Å
334N56Low71.1Confident101 Ų101117.4 Ų117.454%0.5457%0.57SS.*  trans-69.995173.2-75.6-0.1000110.4M331M331-N334 PolarHBondContact O-OD1 2.84Å
335D57.4Low70.8Confident106 Ų106119.5 Ų119.557%0.56757%0.571SS**  trans-74.7126.1169.6-126.4-42.1000109.2R333 M337 D338 D339R333-D335 PolarHBondContact O-N 3.48Å; D335-M337 PolarHBondContact O-N 2.97Å; D335-D338 PolarHBondContact O-N 2.79Å; D335-D339 PolarHBondContact O-N 3.26Å
336P58.5Low70.6Confident103 Ų103120.6 Ų120.667%0.66958%0.576SS**THydrogen-bonded Turntrans-58.9-12.5-173.6-27.235000115.8
337M55.1Low70.6Confident162 Ų162120.1 Ų120.180%0.79857%0.571SS**THydrogen-bonded Turntrans-84.4-31.1176.2-160.167.8144.200113D335 D339D335-M337 PolarHBondContact O-N 2.97Å; M337-D339 VanDerWaalsContact C-N 3.33Å
338D58.9Low70.8Confident68 Ų68118.2 Ų118.236%0.36457%0.568SS.*THydrogen-bonded Turntrans-79.1-20.8175.1-157.69.7000110.6D335 K340 L341 T342 R345D335-D338 PolarHBondContact O-N 2.79Å; D338-K340 VanDerWaalsContact C-N 3.27Å; D338-K340 PolarHBondContact O-N 3.2Å; D338-L341 CarbonylContact O-C 3.56Å; D338-L341 WeakPolarHBondContact O-CA 3.31Å; D338-L341 WeakPolarHBondContact O-CB 3.4Å; D338-L341 PolarHBondContact O-N 2.96Å; D338-T342 PolarHBondContact O-N 2.9Å; D338-R345 IonicContact OD1-CZ 2.78Å; D338-R345 IonicContact OD1-NH1 3.95Å; D338-R345 PolarHBondContact OD1-NH1 3.04Å; D338-R345 IonicContact OD1-NH2 3.69Å; D338-R345 IonicContact OD2-NH1 2.61Å
339D63.9Low71.1Confident75 Ų75114.6 Ų114.640%0.40156%0.556SS.*Hα-helixtrans-61.4-27.4-179.7-100.9-13.6000114.9D335 M337 T342 L343D335-D339 PolarHBondContact O-N 3.26Å; M337-D339 VanDerWaalsContact C-N 3.33Å; D339-T342 VanDerWaalsContact CA-OG1 3.27Å; D339-T342 WeakPolarHBondContact CA-OG1 3.32Å; D339-T342 PolarHBondContact O-OG1 3.25Å; D339-T342 PolarHBondContact OD1-OG1 3Å; D339-L343 PolarHBondContact O-N 2.91Å; D339-L343 VanDerWaalsContact O-N 3.13Å
340K70.1Confident71.6Confident150 Ų150112.3 Ų112.365%0.65255%0.549SS*.Hα-helixtrans-70.5-39.1170.7-68.6-176.8-178.8176.30111.2D338 L343 Y344D338-K340 VanDerWaalsContact C-N 3.27Å; D338-K340 PolarHBondContact O-N 3.2Å; K340-L343 PolarHBondContact O-N 3.34Å; K340-Y344 WeakPolarHBondContact O-CD2 3.22Å; K340-Y344 PolarHBondContact O-N 3Å; K340-Y344 VanDerWaalsContact O-N 3.11Å
341L73.3Confident72.3Confident91 Ų91109.7 Ų109.748%0.47654%0.542SS..Hα-helixtrans-73-34.6177.1-88.9161.6000112D338 Y344 R345D338-L341 CarbonylContact O-C 3.56Å; D338-L341 WeakPolarHBondContact O-CA 3.31Å; D338-L341 WeakPolarHBondContact O-CB 3.4Å; D338-L341 PolarHBondContact O-N 2.96Å; L341-Y344 PolarHBondContact O-N 2.87Å; L341-R345 WeakPolarHBondContact O-CB 3.31Å; L341-R345 WeakPolarHBondContact O-CD 3.42Å; L341-R345 WeakPolarHBondContact O-CG 3.5Å; L341-R345 PolarHBondContact O-N 3.47Å
342T75.3Confident73.2Confident51 Ų51107.1 Ų107.131%0.31353%0.53SS..Hα-helixtrans-64-41.9171.561.90000110.9D338 D339 Y344 R345 Q346D338-T342 PolarHBondContact O-N 2.9Å; D339-T342 VanDerWaalsContact CA-OG1 3.27Å; D339-T342 WeakPolarHBondContact CA-OG1 3.32Å; D339-T342 PolarHBondContact O-OG1 3.25Å; D339-T342 PolarHBondContact OD1-OG1 3Å; T342-Y344 PolarHBondContact O-N 3.37Å; T342-R345 PolarHBondContact O-N 3.03Å; T342-Q346 VanDerWaalsContact O-CB 3.31Å; T342-Q346 WeakPolarHBondContact O-CB 3.17Å; T342-Q346 PolarHBondContact O-N 2.92Å
343L77.6Confident74.2Confident105 Ų105107.7 Ų107.755%0.5552%0.523SS..Hα-helixtrans-59.8-46.6174.1-173.969.1000112.1D339 K340 Q346 Q347D339-L343 PolarHBondContact O-N 2.91Å; D339-L343 VanDerWaalsContact O-N 3.13Å; K340-L343 PolarHBondContact O-N 3.34Å; L343-Q346 PolarHBondContact O-N 2.93Å; L343-Q347 WeakPolarHBondContact O-CB 3.33Å; L343-Q347 PolarHBondContact O-N 2.94Å
344Y81.9Confident75.4Confident152 Ų152104.8 Ų104.860%0.59652%0.516SS*.Hα-helixtrans-66-38.5176.1-70.7-58.1000112.9K340 L341 T342 Q346 Q347 A348K340-Y344 WeakPolarHBondContact O-CD2 3.22Å; K340-Y344 PolarHBondContact O-N 3Å; K340-Y344 VanDerWaalsContact O-N 3.11Å; L341-Y344 PolarHBondContact O-N 2.87Å; T342-Y344 PolarHBondContact O-N 3.37Å; Y344-Q346 VanDerWaalsContact C-N 3.35Å; Y344-Q347 PolarHBondContact O-N 3.26Å; Y344-A348 VanDerWaalsContact O-CB 3.24Å; Y344-A348 WeakPolarHBondContact O-CB 3.4Å; Y344-A348 PolarHBondContact O-N 3.35Å
345R81.6Confident76.8Confident134 Ų134103.7 Ų103.751%0.50651%0.506SS..Hα-helixtrans-62.8-41.1172.8-72.2165.1-174.4143.80.9111D338 L341 T342 A348 S349D338-R345 IonicContact OD1-CZ 2.78Å; D338-R345 IonicContact OD1-NH1 3.95Å; D338-R345 PolarHBondContact OD1-NH1 3.04Å; D338-R345 IonicContact OD1-NH2 3.69Å; D338-R345 IonicContact OD2-NH1 2.61Å; L341-R345 WeakPolarHBondContact O-CB 3.31Å; L341-R345 WeakPolarHBondContact O-CD 3.42Å; L341-R345 WeakPolarHBondContact O-CG 3.5Å; L341-R345 PolarHBondContact O-N 3.47Å; T342-R345 PolarHBondContact O-N 3.03Å; R345-A348 PolarHBondContact O-N 3.32Å; R345-S349 WeakPolarHBondContact O-CB 3.47Å; R345-S349 PolarHBondContact O-N 3.42Å
346Q83.7Confident78.1Confident117 Ų117102 Ų10255%0.54749%0.494SS..Hα-helixtrans-67.5-46.3177.9-169.717813.700110.9T342 L343 Y344 A348 S349 I350T342-Q346 VanDerWaalsContact O-CB 3.31Å; T342-Q346 WeakPolarHBondContact O-CB 3.17Å; T342-Q346 PolarHBondContact O-N 2.92Å; L343-Q346 PolarHBondContact O-N 2.93Å; Y344-Q346 VanDerWaalsContact C-N 3.35Å; Q346-A348 PolarHBondContact O-N 2.88Å; Q346-S349 PolarHBondContact O-N 3.23Å; Q346-S349 VanDerWaalsContact O-N 3.14Å; Q346-S349 PolarHBondContact O-OG 2.95Å; Q346-I350 HydrophobicContact CG-CD1 4.22Å; Q346-I350 WeakPolarHBondContact O-CG1 3.25Å; Q346-I350 PolarHBondContact O-N 3.34Å
347Q85.2Confident79.5Confident103 Ų10399.4 Ų99.448%0.48148%0.479SS..Hα-helixtrans-60.2-43.7174.5-170.2177.110.300111.5L343 Y344 S349 I350 I351L343-Q347 WeakPolarHBondContact O-CB 3.33Å; L343-Q347 PolarHBondContact O-N 2.94Å; Y344-Q347 PolarHBondContact O-N 3.26Å; Q347-S349 PolarHBondContact O-N 2.85Å; Q347-I350 PolarHBondContact O-N 2.89Å; Q347-I351 HydrophobicContact CG-CD1 4.08Å; Q347-I351 VanDerWaalsContact O-CG1 3.29Å; Q347-I351 WeakPolarHBondContact O-CG1 3.44Å; Q347-I351 PolarHBondContact O-N 3.37Å
348A84.3Confident81Confident44 Ų4497.7 Ų97.736%0.36447%0.467SS..Hα-helixtrans-60.7-43.3172.900000111.5Y344 R345 Q346 I350 I351 I352Y344-A348 VanDerWaalsContact O-CB 3.24Å; Y344-A348 WeakPolarHBondContact O-CB 3.4Å; Y344-A348 PolarHBondContact O-N 3.35Å; R345-A348 PolarHBondContact O-N 3.32Å; Q346-A348 PolarHBondContact O-N 2.88Å; A348-I350 VanDerWaalsContact C-N 3.34Å; A348-I350 PolarHBondContact O-N 2.85Å; A348-I351 PolarHBondContact O-N 2.84Å; A348-I352 WeakPolarHBondContact O-CB 3.4Å; A348-I352 VanDerWaalsContact O-CG1 3.26Å; A348-I352 WeakPolarHBondContact O-CG1 3.44Å; A348-I352 PolarHBondContact O-N 3.01Å
349S85.8Confident82.2Confident48 Ų4895 Ų9534%0.33646%0.455SS..Hα-helixtrans-64-36.3177.377.90000112.9R345 Q346 Q347 R353R345-S349 WeakPolarHBondContact O-CB 3.47Å; R345-S349 PolarHBondContact O-N 3.42Å; Q346-S349 PolarHBondContact O-N 3.23Å; Q346-S349 VanDerWaalsContact O-N 3.14Å; Q346-S349 PolarHBondContact O-OG 2.95Å; Q347-S349 PolarHBondContact O-N 2.85Å; S349-R353 WeakPolarHBondContact O-CB 3.38Å; S349-R353 WeakPolarHBondContact O-CG 3.02Å; S349-R353 PolarHBondContact O-N 2.96Å
350I88.5Confident83.3Confident83 Ų8396.2 Ų96.243%0.42646%0.458SS..Hα-helixtrans-68.1-41.2173.8-66.8163.4000110.9Q346 Q347 A348 K354Q346-I350 HydrophobicContact CG-CD1 4.22Å; Q346-I350 WeakPolarHBondContact O-CG1 3.25Å; Q346-I350 PolarHBondContact O-N 3.34Å; Q347-I350 PolarHBondContact O-N 2.89Å; A348-I350 VanDerWaalsContact C-N 3.34Å; A348-I350 PolarHBondContact O-N 2.85Å; I350-K354 HydrophobicContact CG2-CD 4.34Å; I350-K354 WeakPolarHBondContact O-CB 3.44Å; I350-K354 WeakPolarHBondContact O-CG 3.45Å; I350-K354 PolarHBondContact O-N 3.32Å
351I86.4Confident84.2Confident100 Ų10093.2 Ų93.251%0.51345%0.446SS..Hα-helixtrans-65.3-42.8176.4-69.8165.4000110.7Q347 A348 K354 K355Q347-I351 HydrophobicContact CG-CD1 4.08Å; Q347-I351 VanDerWaalsContact O-CG1 3.29Å; Q347-I351 WeakPolarHBondContact O-CG1 3.44Å; Q347-I351 PolarHBondContact O-N 3.37Å; A348-I351 PolarHBondContact O-N 2.84Å; I351-K354 PolarHBondContact O-N 3.25Å; I351-K355 WeakPolarHBondContact O-CB 3.4Å; I351-K355 PolarHBondContact O-N 3.02Å
352I84.2Confident84.7Confident81 Ų8192.1 Ų92.142%0.41544%0.44SS..Hα-helixtrans-60-52.3175.6-71163.7000110.1A348 K354 K355 E356A348-I352 WeakPolarHBondContact O-CB 3.4Å; A348-I352 VanDerWaalsContact O-CG1 3.26Å; A348-I352 WeakPolarHBondContact O-CG1 3.44Å; A348-I352 PolarHBondContact O-N 3.01Å; I352-K354 VanDerWaalsContact C-N 3.29Å; I352-K354 PolarHBondContact O-N 2.65Å; I352-K355 CarbonylContact O-C 3.6Å; I352-K355 WeakPolarHBondContact O-CA 3.19Å; I352-K355 WeakPolarHBondContact O-CB 3.39Å; I352-K355 PolarHBondContact O-N 3.48Å; I352-E356 HydrophobicContact CG2-CG 4.37Å; I352-E356 WeakPolarHBondContact CG2-OE1 3.35Å; I352-E356 WeakPolarHBondContact O-CG 3.42Å; I352-E356 PolarHBondContact O-N 2.95Å
353R87Confident85.1Confident184 Ų18493.2 Ų93.269%0.69444%0.442SS*.Hα-helixtrans-58.9-37.9177.2-74.3178.4178.7-175.3-0.1113.1S349 S357S349-R353 WeakPolarHBondContact O-CB 3.38Å; S349-R353 WeakPolarHBondContact O-CG 3.02Å; S349-R353 PolarHBondContact O-N 2.96Å; R353-S357 VanDerWaalsContact O-CB 3.28Å; R353-S357 WeakPolarHBondContact O-CB 3.36Å; R353-S357 PolarHBondContact O-N 2.93Å
354K88.8Confident85.6Confident143 Ų14394.1 Ų94.162%0.62244%0.443SS*.Hα-helixtrans-67.4-38.4173.4-76.7-177.7177.9-171.90112.3I350 I351 I352 K358I350-K354 HydrophobicContact CG2-CD 4.34Å; I350-K354 WeakPolarHBondContact O-CB 3.44Å; I350-K354 WeakPolarHBondContact O-CG 3.45Å; I350-K354 PolarHBondContact O-N 3.32Å; I351-K354 PolarHBondContact O-N 3.25Å; I352-K354 VanDerWaalsContact C-N 3.29Å; I352-K354 PolarHBondContact O-N 2.65Å; K354-K358 WeakPolarHBondContact O-CB 3.31Å; K354-K358 WeakPolarHBondContact O-CG 3.45Å; K354-K358 PolarHBondContact O-N 3.01Å
355K85.4Confident85.9Confident78 Ų7889.4 Ų89.434%0.33944%0.436SS..Hα-helixtrans-67.6-37.8176.3-166.4-170.2-175.1-169.80111.4Y275 E279 I351 I352 A359Y275-K355 HydrophobicContact CD2-CD 4.31Å; Y275-K355 HydrophobicContact CE1-CD 4.43Å; Y275-K355 HydrophobicContact CE1-CG 4.15Å; Y275-K355 HydrophobicContact CE2-CD 3.7Å; Y275-K355 HydrophobicContact CE2-CG 4.29Å; E279-K355 VanDerWaalsContact CD-NZ 3.28Å; E279-K355 IonicContact OE1-NZ 2.67Å; E279-K355 PolarHBondContact OE1-NZ 3.28Å; E279-K355 VanDerWaalsContact OE1-NZ 3.14Å; E279-K355 IonicContact OE2-NZ 3.47Å; E279-K355 PolarHBondContact OE2-NZ 3.08Å; I351-K355 WeakPolarHBondContact O-CB 3.4Å; I351-K355 PolarHBondContact O-N 3.02Å; I352-K355 CarbonylContact O-C 3.6Å; I352-K355 WeakPolarHBondContact O-CA 3.19Å; I352-K355 WeakPolarHBondContact O-CB 3.39Å; I352-K355 PolarHBondContact O-N 3.48Å; K355-A359 VanDerWaalsContact O-CB 3.29Å; K355-A359 WeakPolarHBondContact O-CB 3.36Å; K355-A359 PolarHBondContact O-N 3.34Å; K355-A359 VanDerWaalsContact O-N 3.1Å
356E84.8Confident85.9Confident69 Ų6987.9 Ų87.932%0.32243%0.43SS..Hα-helixtrans-66.8-55.5173.9-72.8165.7167.400110.6I352 K358 A359 E360I352-E356 HydrophobicContact CG2-CG 4.37Å; I352-E356 WeakPolarHBondContact CG2-OE1 3.35Å; I352-E356 WeakPolarHBondContact O-CG 3.42Å; I352-E356 PolarHBondContact O-N 2.95Å; E356-K358 VanDerWaalsContact C-N 3.34Å; E356-K358 PolarHBondContact O-N 3.02Å; E356-A359 CarbonylContact O-C 3.6Å; E356-A359 WeakPolarHBondContact O-CA 3.29Å; E356-A359 WeakPolarHBondContact O-CB 3.24Å; E356-A359 PolarHBondContact O-N 2.88Å; E356-E360 PolarHBondContact O-N 2.92Å
357S88.7Confident86Confident50 Ų5087.7 Ų87.735%0.3543%0.43SS..Hα-helixtrans-57.1-40.4177.1163.70000113.2R353 A359 E360 E361R353-S357 VanDerWaalsContact O-CB 3.28Å; R353-S357 WeakPolarHBondContact O-CB 3.36Å; R353-S357 PolarHBondContact O-N 2.93Å; S357-A359 VanDerWaalsContact C-N 3.33Å; S357-A359 PolarHBondContact O-N 3.46Å; S357-E360 PolarHBondContact O-N 2.9Å; S357-E361 WeakPolarHBondContact O-CG 3.48Å; S357-E361 PolarHBondContact O-N 3.39Å
358K86.4Confident86.2Confident125 Ų12589.6 Ų89.654%0.54344%0.438SS..Hα-helixtrans-71.9-24.6173.9-70-47-169.6-169.20114K354 E356 E361 L362K354-K358 WeakPolarHBondContact O-CB 3.31Å; K354-K358 WeakPolarHBondContact O-CG 3.45Å; K354-K358 PolarHBondContact O-N 3.01Å; E356-K358 VanDerWaalsContact C-N 3.34Å; E356-K358 PolarHBondContact O-N 3.02Å; K358-E361 WeakPolarHBondContact CD-OE1 3.25Å; K358-E361 WeakPolarHBondContact CD-OE2 3.37Å; K358-E361 WeakPolarHBondContact CE-OE2 3.23Å; K358-E361 IonicContact NZ-OE1 3.14Å; K358-E361 PolarHBondContact NZ-OE1 3.18Å; K358-E361 IonicContact NZ-OE2 2.65Å; K358-E361 PolarHBondContact NZ-OE2 3.18Å; K358-L362 VanDerWaalsContact O-CB 3.28Å; K358-L362 WeakPolarHBondContact O-CB 3.21Å; K358-L362 PolarHBondContact O-N 3.43Å; K358-L362 VanDerWaalsContact O-N 3.13Å
359A83.4Confident86.1Confident12 Ų1291.8 Ų91.810%0.09944%0.444CS..Hα-helixtrans-78.3-27.3171.700000112.4Y275 K280 K355 E356 S357 Q363Y275-A359 HydrophobicContact CE1-CB 3.92Å; K280-A359 HydrophobicContact CD-CB 4.36Å; K355-A359 VanDerWaalsContact O-CB 3.29Å; K355-A359 WeakPolarHBondContact O-CB 3.36Å; K355-A359 PolarHBondContact O-N 3.34Å; K355-A359 VanDerWaalsContact O-N 3.1Å; E356-A359 CarbonylContact O-C 3.6Å; E356-A359 WeakPolarHBondContact O-CA 3.29Å; E356-A359 WeakPolarHBondContact O-CB 3.24Å; E356-A359 PolarHBondContact O-N 2.88Å; S357-A359 VanDerWaalsContact C-N 3.33Å; S357-A359 PolarHBondContact O-N 3.46Å; A359-Q363 VanDerWaalsContact O-CB 3.26Å; A359-Q363 WeakPolarHBondContact O-CB 3.36Å; A359-Q363 PolarHBondContact O-N 3.02Å; A359-Q363 VanDerWaalsContact O-N 3.13Å
360E86.3Confident85.9Confident101 Ų10191.4 Ų91.447%0.47244%0.443SS..Hα-helixtrans-70-53169.2-70166170.900110.7E356 S357 L362 Q363 E364E356-E360 PolarHBondContact O-N 2.92Å; S357-E360 PolarHBondContact O-N 2.9Å; E360-L362 VanDerWaalsContact C-N 3.27Å; E360-L362 PolarHBondContact O-N 2.81Å; E360-Q363 CarbonylContact O-C 3.55Å; E360-Q363 WeakPolarHBondContact O-CA 3.39Å; E360-Q363 WeakPolarHBondContact O-CB 3.24Å; E360-Q363 PolarHBondContact O-N 2.98Å; E360-E364 PolarHBondContact O-N 3.24Å
361E90Very high85.8Confident86 Ų8690.2 Ų90.240%0.40245%0.445SS..Hα-helixtrans-53.8-41.9174.5-73.1176.6-151.500112.5S357 K358 Q363 A365S357-E361 WeakPolarHBondContact O-CG 3.48Å; S357-E361 PolarHBondContact O-N 3.39Å; K358-E361 WeakPolarHBondContact CD-OE1 3.25Å; K358-E361 WeakPolarHBondContact CD-OE2 3.37Å; K358-E361 WeakPolarHBondContact CE-OE2 3.23Å; K358-E361 IonicContact NZ-OE1 3.14Å; K358-E361 PolarHBondContact NZ-OE1 3.18Å; K358-E361 IonicContact NZ-OE2 2.65Å; K358-E361 PolarHBondContact NZ-OE2 3.18Å; E361-Q363 VanDerWaalsContact C-N 3.32Å; E361-Q363 PolarHBondContact O-N 2.84Å; E361-A365 WeakPolarHBondContact O-CB 3.35Å; E361-A365 PolarHBondContact O-N 3.32Å
362L82.9Confident85.8Confident68 Ų6888.1 Ų88.136%0.35644%0.443SS..Hα-helixtrans-67.1-33.6176.5-179.965.9000112.3I272 K358 E360 R366I272-L362 HydrophobicContact CD1-CD2 4.05Å; I272-L362 HydrophobicContact CG1-CD2 4.37Å; I272-L362 HydrophobicContact CG2-CD2 3.81Å; K358-L362 VanDerWaalsContact O-CB 3.28Å; K358-L362 WeakPolarHBondContact O-CB 3.21Å; K358-L362 PolarHBondContact O-N 3.43Å; K358-L362 VanDerWaalsContact O-N 3.13Å; E360-L362 VanDerWaalsContact C-N 3.27Å; E360-L362 PolarHBondContact O-N 2.81Å; L362-R366 WeakPolarHBondContact O-CB 3.28Å; L362-R366 VanDerWaalsContact O-CG 3.25Å; L362-R366 WeakPolarHBondContact O-CG 3.37Å; L362-R366 PolarHBondContact O-N 3.25Å; L362-R366 VanDerWaalsContact O-N 3.12Å
363Q83.7Confident85.6Confident74 Ų7485.8 Ų85.835%0.34643%0.43SS..Hα-helixtrans-72.6-46177.2179.5175.5-18.700110.6K280 A359 E360 E361 A365 R366 E367K280-Q363 VanDerWaalsContact NZ-OE1 3.13Å; A359-Q363 VanDerWaalsContact O-CB 3.26Å; A359-Q363 WeakPolarHBondContact O-CB 3.36Å; A359-Q363 PolarHBondContact O-N 3.02Å; A359-Q363 VanDerWaalsContact O-N 3.13Å; E360-Q363 CarbonylContact O-C 3.55Å; E360-Q363 WeakPolarHBondContact O-CA 3.39Å; E360-Q363 WeakPolarHBondContact O-CB 3.24Å; E360-Q363 PolarHBondContact O-N 2.98Å; E361-Q363 VanDerWaalsContact C-N 3.32Å; E361-Q363 PolarHBondContact O-N 2.84Å; Q363-A365 PolarHBondContact O-N 3Å; Q363-R366 WeakPolarHBondContact O-CB 3.35Å; Q363-R366 PolarHBondContact O-N 3.29Å; Q363-R366 VanDerWaalsContact O-N 3.13Å; Q363-E367 VanDerWaalsContact CG-OE1 3.26Å; Q363-E367 WeakPolarHBondContact CG-OE1 3.47Å; Q363-E367 PolarHBondContact NE2-OE1 3.24Å; Q363-E367 WeakPolarHBondContact O-CG 3.43Å; Q363-E367 PolarHBondContact O-N 3.42Å
364E88.9Confident85.3Confident124 Ų12484.2 Ų84.258%0.57943%0.429SS*.Hα-helixtrans-55.7-50.5173.3-69.9177.5164.300111E360 R366 E367 E368E360-E364 PolarHBondContact O-N 3.24Å; E364-R366 VanDerWaalsContact C-N 3.28Å; E364-R366 PolarHBondContact O-N 2.84Å; E364-E367 CarbonylContact O-C 3.6Å; E364-E367 PolarHBondContact O-N 3.23Å; E364-E368 WeakPolarHBondContact O-CG 3.42Å; E364-E368 PolarHBondContact O-N 2.89Å
365A87.9Confident85.2Confident54 Ų5481.9 Ų81.945%0.44642%0.42SS..Hα-helixtrans-61.8-32.2177.400000113.5E361 Q363 L369E361-A365 WeakPolarHBondContact O-CB 3.35Å; E361-A365 PolarHBondContact O-N 3.32Å; Q363-A365 PolarHBondContact O-N 3Å; A365-L369 WeakPolarHBondContact O-CB 3.32Å; A365-L369 PolarHBondContact O-N 3.17Å; A365-L369 VanDerWaalsContact O-N 3.07Å
366R81.8Confident84.9Confident101 Ų10184 Ų8438%0.38143%0.434SS..Hα-helixtrans-71.8-37.8172.9-80.6174.2168.4-168.1-5.1112L362 Q363 E364 A370L362-R366 WeakPolarHBondContact O-CB 3.28Å; L362-R366 VanDerWaalsContact O-CG 3.25Å; L362-R366 WeakPolarHBondContact O-CG 3.37Å; L362-R366 PolarHBondContact O-N 3.25Å; L362-R366 VanDerWaalsContact O-N 3.12Å; Q363-R366 WeakPolarHBondContact O-CB 3.35Å; Q363-R366 PolarHBondContact O-N 3.29Å; Q363-R366 VanDerWaalsContact O-N 3.13Å; E364-R366 VanDerWaalsContact C-N 3.28Å; E364-R366 PolarHBondContact O-N 2.84Å; R366-A370 WeakPolarHBondContact O-CB 3.42Å; R366-A370 PolarHBondContact O-N 3.05Å
367E85.1Confident84.7Confident114 Ų11484.5 Ų84.553%0.53344%0.435SS..Hα-helixtrans-70-41.2176.8-72.4177.3-158.500111.3Q363 E364 A370 A371Q363-E367 VanDerWaalsContact CG-OE1 3.26Å; Q363-E367 WeakPolarHBondContact CG-OE1 3.47Å; Q363-E367 PolarHBondContact NE2-OE1 3.24Å; Q363-E367 WeakPolarHBondContact O-CG 3.43Å; Q363-E367 PolarHBondContact O-N 3.42Å; E364-E367 CarbonylContact O-C 3.6Å; E364-E367 PolarHBondContact O-N 3.23Å; E367-A370 PolarHBondContact O-N 2.95Å; E367-A371 WeakPolarHBondContact O-CB 3.38Å; E367-A371 PolarHBondContact O-N 2.95Å
368E89.9Confident84.3Confident142 Ų14287.1 Ų87.166%0.66444%0.442SS*.Hα-helixtrans-59.6-46.6170.6-73.5-172.1164.400112E364 A370 A371 A372E364-E368 WeakPolarHBondContact O-CG 3.42Å; E364-E368 PolarHBondContact O-N 2.89Å; E368-A370 PolarHBondContact O-N 3.38Å; E368-A371 PolarHBondContact O-N 3.49Å; E368-A372 WeakPolarHBondContact O-CB 3.32Å; E368-A372 PolarHBondContact O-N 3.01Å
369L82.8Confident84.1Confident91 Ų9188.9 Ų88.948%0.47645%0.445SS..Hα-helixtrans-63.1-41.8177-177137.1000111.6A365 A372 E373A365-L369 WeakPolarHBondContact O-CB 3.32Å; A365-L369 PolarHBondContact O-N 3.17Å; A365-L369 VanDerWaalsContact O-N 3.07Å; L369-A372 PolarHBondContact O-N 2.96Å; L369-E373 HydrophobicContact CD2-CG 4.48Å; L369-E373 WeakPolarHBondContact O-CB 3.44Å; L369-E373 WeakPolarHBondContact O-CG 3.37Å; L369-E373 PolarHBondContact O-N 3.04Å
370A81.6Confident83.5Confident39 Ų3991.5 Ų91.532%0.32246%0.463SS..Hα-helixtrans-65.4-36.7175.200000112.4R366 E367 E368 K374R366-A370 WeakPolarHBondContact O-CB 3.42Å; R366-A370 PolarHBondContact O-N 3.05Å; E367-A370 PolarHBondContact O-N 2.95Å; E368-A370 PolarHBondContact O-N 3.38Å; A370-K374 WeakPolarHBondContact O-CB 3.37Å; A370-K374 PolarHBondContact O-N 3.21Å
371A86.6Confident82.8Confident58 Ų5889.9 Ų89.948%0.47946%0.463SS..Hα-helixtrans-66.6-47.6174.900000111.6E367 E368 E373 K374 E375E367-A371 WeakPolarHBondContact O-CB 3.38Å; E367-A371 PolarHBondContact O-N 2.95Å; E368-A371 PolarHBondContact O-N 3.49Å; A371-E373 VanDerWaalsContact C-N 3.34Å; A371-E373 PolarHBondContact O-N 2.95Å; A371-K374 WeakPolarHBondContact O-CB 3.33Å; A371-K374 PolarHBondContact O-N 3.3Å; A371-K374 VanDerWaalsContact O-N 3.15Å; A371-E375 PolarHBondContact O-N 2.82Å
372A86.4Confident81.8Confident56 Ų5691.3 Ų91.346%0.46347%0.47SS..Hα-helixtrans-62.1-38.8175.600000112.1E368 L369 E375 L376E368-A372 WeakPolarHBondContact O-CB 3.32Å; E368-A372 PolarHBondContact O-N 3.01Å; L369-A372 PolarHBondContact O-N 2.96Å; A372-E375 PolarHBondContact O-N 2.94Å; A372-L376 WeakPolarHBondContact O-CB 3.49Å; A372-L376 PolarHBondContact O-N 2.97Å
373E79.1Confident80.7Confident32 Ų3290.8 Ų90.815%0.1548%0.481CS..Hα-helixtrans-64.7-40.5172-81.3-164.5-171.300113K248 L369 A371 E375 L376 K377K248-E373 IonicContact NZ-OE1 2.7Å; K248-E373 PolarHBondContact NZ-OE1 3.16Å; L369-E373 HydrophobicContact CD2-CG 4.48Å; L369-E373 WeakPolarHBondContact O-CB 3.44Å; L369-E373 WeakPolarHBondContact O-CG 3.37Å; L369-E373 PolarHBondContact O-N 3.04Å; A371-E373 VanDerWaalsContact C-N 3.34Å; A371-E373 PolarHBondContact O-N 2.95Å; E373-E375 VanDerWaalsContact C-N 3.35Å; E373-L376 PolarHBondContact O-N 2.85Å; E373-K377 WeakPolarHBondContact O-CB 3.31Å; E373-K377 VanDerWaalsContact O-CG 3.29Å; E373-K377 WeakPolarHBondContact O-CG 3.29Å; E373-K377 PolarHBondContact O-N 2.93Å; E373-K377 IonicContact OE2-NZ 3.64Å
374K81.9Confident79.5Confident152 Ų15294.9 Ų94.966%0.66150%0.5SS*.Hα-helixtrans-64.3-42.3176.5-172.2179.5-178.9178.80110.6A370 A371 K377 Q378A370-K374 WeakPolarHBondContact O-CB 3.37Å; A370-K374 PolarHBondContact O-N 3.21Å; A371-K374 WeakPolarHBondContact O-CB 3.33Å; A371-K374 PolarHBondContact O-N 3.3Å; A371-K374 VanDerWaalsContact O-N 3.15Å; K374-K377 PolarHBondContact O-N 3.22Å; K374-Q378 WeakPolarHBondContact O-CB 3.4Å; K374-Q378 PolarHBondContact O-N 3.15Å
375E85.7Confident77.5Confident94 Ų9492 Ų9244%0.43950%0.504SS..Hα-helixtrans-65.1-42.4175.2-159.9-167.5165.100111.6A371 A372 E373 K377 Q378 R379A371-E375 PolarHBondContact O-N 2.82Å; A372-E375 PolarHBondContact O-N 2.94Å; E373-E375 VanDerWaalsContact C-N 3.35Å; E375-K377 PolarHBondContact O-N 3.15Å; E375-Q378 PolarHBondContact O-N 3.43Å; E375-R379 WeakPolarHBondContact O-CB 3.23Å; E375-R379 WeakPolarHBondContact O-CG 3.37Å; E375-R379 PolarHBondContact O-N 3.03Å; E375-R379 IonicContact OE1-CZ 3.76Å; E375-R379 IonicContact OE1-NE 3.57Å; E375-R379 PolarHBondContact OE1-NE 2.99Å; E375-R379 IonicContact OE1-NH2 3.41Å; E375-R379 PolarHBondContact OE1-NH2 3.02Å
376L80.1Confident75.8Confident122 Ų12294 Ų9464%0.63951%0.514SS*.Hα-helixtrans-62-43.1175.3-172.1153.1000111.5A372 E373 S380A372-L376 WeakPolarHBondContact O-CB 3.49Å; A372-L376 PolarHBondContact O-N 2.97Å; E373-L376 PolarHBondContact O-N 2.85Å; L376-S380 VanDerWaalsContact O-CB 3.24Å; L376-S380 WeakPolarHBondContact O-CB 3.33Å; L376-S380 PolarHBondContact O-N 3.29Å
377K78.8Confident74.3Confident79 Ų7995.6 Ų95.634%0.34353%0.53SS..Hα-helixtrans-61.9-42.7173.4-73.7169-171.3169.60111.5E373 K374 E375 S380 S381E373-K377 WeakPolarHBondContact O-CB 3.31Å; E373-K377 VanDerWaalsContact O-CG 3.29Å; E373-K377 WeakPolarHBondContact O-CG 3.29Å; E373-K377 PolarHBondContact O-N 2.93Å; E373-K377 IonicContact OE2-NZ 3.64Å; K374-K377 PolarHBondContact O-N 3.22Å; E375-K377 PolarHBondContact O-N 3.15Å; K377-S380 PolarHBondContact O-N 3.38Å; K377-S381 PolarHBondContact O-N 2.83Å; K377-S381 PolarHBondContact O-OG 2.88Å
378Q82.2Confident72.7Confident105 Ų10594.4 Ų94.449%0.49155%0.549SS..Hα-helixtrans-66.2-44.2178.3-176.4174.6-7.900112.3K374 E375 S380 S381 Q382K374-Q378 WeakPolarHBondContact O-CB 3.4Å; K374-Q378 PolarHBondContact O-N 3.15Å; E375-Q378 PolarHBondContact O-N 3.43Å; Q378-S380 VanDerWaalsContact C-N 3.33Å; Q378-S381 PolarHBondContact O-N 2.86Å; Q378-S381 PolarHBondContact O-OG 2.86Å; Q378-Q382 WeakPolarHBondContact O-CB 3.3Å; Q378-Q382 VanDerWaalsContact O-CG 3.28Å; Q378-Q382 WeakPolarHBondContact O-CG 3.31Å; Q378-Q382 PolarHBondContact O-N 3.45Å
379R81Confident71Confident162 Ų16295.3 Ų95.361%0.61155%0.553SS**Hα-helixtrans-63.9-39.3173.7-70.8175.6178.8-133.28.5111.3E375 Q382 G383E375-R379 WeakPolarHBondContact O-CB 3.23Å; E375-R379 WeakPolarHBondContact O-CG 3.37Å; E375-R379 PolarHBondContact O-N 3.03Å; E375-R379 IonicContact OE1-CZ 3.76Å; E375-R379 IonicContact OE1-NE 3.57Å; E375-R379 PolarHBondContact OE1-NE 2.99Å; E375-R379 IonicContact OE1-NH2 3.41Å; E375-R379 PolarHBondContact OE1-NH2 3.02Å; R379-Q382 PolarHBondContact O-N 2.93Å; R379-G383 PolarHBondContact O-N 3.48Å
380S71.4Confident69.7Low68 Ų6899.6 Ų99.648%0.47657%0.57SS.*Hα-helixtrans-65.2-40.6175.4-170.80000112.6L376 K377 Q378 G383 Q384L376-S380 VanDerWaalsContact O-CB 3.24Å; L376-S380 WeakPolarHBondContact O-CB 3.33Å; L376-S380 PolarHBondContact O-N 3.29Å; K377-S380 PolarHBondContact O-N 3.38Å; Q378-S380 VanDerWaalsContact C-N 3.33Å; S380-G383 PolarHBondContact O-N 2.91Å; S380-Q384 PolarHBondContact O-N 3.23Å
381S70.6Confident68.5Low67 Ų67103.6 Ų103.647%0.46959%0.591SS.*Hα-helixtrans-73.7-34.4177.262.40000112.3K377 Q378 G383 Q384 G385K377-S381 PolarHBondContact O-N 2.83Å; K377-S381 PolarHBondContact O-OG 2.88Å; Q378-S381 PolarHBondContact O-N 2.86Å; Q378-S381 PolarHBondContact O-OG 2.86Å; S381-G383 VanDerWaalsContact C-N 3.31Å; S381-G383 PolarHBondContact O-N 3.48Å; S381-Q384 CarbonylContact O-C 3.53Å; S381-Q384 PolarHBondContact O-N 3.21Å; S381-Q384 VanDerWaalsContact O-N 3.09Å; S381-G385 PolarHBondContact O-N 3.46Å
382Q69.2Low67.1Low116 Ų116104.8 Ų104.854%0.54259%0.588SS.*Hα-helixtrans-60.8-40.1169.3-76.1173.6-17.100111.8Q378 R379 Q384 G385Q378-Q382 WeakPolarHBondContact O-CB 3.3Å; Q378-Q382 VanDerWaalsContact O-CG 3.28Å; Q378-Q382 WeakPolarHBondContact O-CG 3.31Å; Q378-Q382 PolarHBondContact O-N 3.45Å; R379-Q382 PolarHBondContact O-N 2.93Å; Q382-Q384 PolarHBondContact O-N 3.42Å; Q382-G385 PolarHBondContact O-N 2.83Å
383G60.3Low66.4Low57 Ų57111.5 Ų111.559%0.58860%0.601SS**Hα-helixtrans-65.5-14.6173.100000115.2R379 S380 S381R379-G383 PolarHBondContact O-N 3.48Å; S380-G383 PolarHBondContact O-N 2.91Å; S381-G383 VanDerWaalsContact C-N 3.31Å; S381-G383 PolarHBondContact O-N 3.48Å
384Q58.8Low66Low160 Ų160112.2 Ų112.275%0.74862%0.617SS**Hα-helixtrans-105.4-19.2173-67.1-174.3-69.400113.5S380 S381 Q382S380-Q384 PolarHBondContact O-N 3.23Å; S381-Q384 CarbonylContact O-C 3.53Å; S381-Q384 PolarHBondContact O-N 3.21Å; S381-Q384 VanDerWaalsContact O-N 3.09Å; Q382-Q384 PolarHBondContact O-N 3.42Å
385G46.6Very low65.7Low64 Ų64109.5 Ų109.566%0.6661%0.61SS**Hα-helixtrans-90.1-9.6-174.100000115.5S381 Q382 N387S381-G385 PolarHBondContact O-N 3.46Å; Q382-G385 PolarHBondContact O-N 2.83Å; G385-N387 VanDerWaalsContact C-N 3.34Å; G385-N387 PolarHBondContact O-N 2.79Å; G385-N387 VanDerWaalsContact O-N 3.11Å
386S52.4Low65.1Low95 Ų95109.5 Ų109.566%0.66461%0.61SS**SBendtrans-86.765.9-176.9178.70000112.6
387N49.7Very low64.9Low135 Ų135108 Ų10872%0.72260%0.603SS**  trans61.7155.6-174.3-69.4-25.9000114.9G385 E389G385-N387 VanDerWaalsContact C-N 3.34Å; G385-N387 PolarHBondContact O-N 2.79Å; G385-N387 VanDerWaalsContact O-N 3.11Å; N387-E389 PolarHBondContact O-N 3.25Å
388G52.2Low65Low89 Ų89110.8 Ų110.892%0.91862%0.615SS**SBendtrans-72.724.1177.100000115E390G388-E390 PolarHBondContact O-N 2.95Å
389E52.8Low65Low161 Ų161113.7 Ų113.775%0.75262%0.621SS**  trans-78107.3165.8-71.2-168.6137.200108N387 V391N387-E389 PolarHBondContact O-N 3.25Å; E389-V391 PolarHBondContact O-N 2.88Å
390E55.6Low64.9Low180 Ų180109.6 Ų109.684%0.84161%0.611SS**  trans-52.3115.1170.3-68.1-175135.600109G388 I392G388-E390 PolarHBondContact O-N 2.95Å; E390-I392 WeakPolarHBondContact O-CG1 3.33Å; E390-I392 PolarHBondContact O-N 3.33Å
391V56.6Low65.6Low124 Ų124109.1 Ų109.175%0.75261%0.605SS**  trans-66.490176.5-179.50000108.2E389 R393E389-V391 PolarHBondContact O-N 2.88Å; V391-R393 PolarHBondContact O-N 3.4Å
392I58.5Low66.3Low82 Ų82108.6 Ų108.642%0.42161%0.605SS.*  trans-52.1114-175.6-58-177.4000108.3E390 E396 L397 L400E390-I392 WeakPolarHBondContact O-CG1 3.33Å; E390-I392 PolarHBondContact O-N 3.33Å; I392-E396 HydrophobicContact CG2-CB 3.52Å; I392-L397 HydrophobicContact CG2-CB 3.99Å; I392-L400 HydrophobicContact CD1-CD1 4.07Å
393R70.3Confident67.1Low197 Ų197109.7 Ų109.774%0.74361%0.608SS**  trans-64.3151.7-176.5-65.7-178.4178.4-175.81.6109.3V391 D395 E396 L397V391-R393 PolarHBondContact O-N 3.4Å; R393-D395 PolarHBondContact O-N 3.49Å; R393-E396 WeakPolarHBondContact CB-OE2 3.27Å; R393-E396 PolarHBondContact N-OE2 3.44Å; R393-E396 WeakPolarHBondContact O-CA 3.36Å; R393-E396 WeakPolarHBondContact O-CB 3.25Å; R393-E396 PolarHBondContact O-N 2.86Å; R393-L397 PolarHBondContact O-N 3Å
394G71.3Confident68.4Low47 Ų47112 Ų11249%0.48561%0.606SS.*Hα-helixtrans-51.8-31.4-172.300000114.9K398G394-K398 VanDerWaalsContact O-CG 3.25Å; G394-K398 WeakPolarHBondContact O-CG 3.43Å; G394-K398 PolarHBondContact O-N 3.08Å
395D75.6Confident69.8Low95 Ų95113.3 Ų113.351%0.50860%0.604SS.*Hα-helixtrans-80.4-28.7176.6-64-31.1000114.1R393 K398 R399R393-D395 PolarHBondContact O-N 3.49Å; D395-K398 IonicContact OD1-NZ 3.24Å; D395-K398 PolarHBondContact OD1-NZ 3.47Å; D395-R399 WeakPolarHBondContact O-CD 3.49Å; D395-R399 WeakPolarHBondContact O-CG 3.46Å; D395-R399 PolarHBondContact O-N 2.92Å
396E73.4Confident71.8Confident94 Ų94113.2 Ų113.244%0.43959%0.593SS.*Hα-helixtrans-70.6-39.9170.3-68.2160.9167.600110.2I392 R393 R399 L400I392-E396 HydrophobicContact CG2-CB 3.52Å; R393-E396 WeakPolarHBondContact CB-OE2 3.27Å; R393-E396 PolarHBondContact N-OE2 3.44Å; R393-E396 WeakPolarHBondContact O-CA 3.36Å; R393-E396 WeakPolarHBondContact O-CB 3.25Å; R393-E396 PolarHBondContact O-N 2.86Å; E396-R399 CarbonylContact O-C 3.6Å; E396-R399 WeakPolarHBondContact O-CB 3.28Å; E396-R399 PolarHBondContact O-N 2.91Å; E396-L400 WeakPolarHBondContact O-CB 3.34Å; E396-L400 PolarHBondContact O-N 2.91Å
397L74.6Confident73.6Confident92 Ų92116 Ų11648%0.48259%0.593SS.*Hα-helixtrans-62.7-44.7173.2-175.364.5000111I392 R393 R399 L400 V401I392-L397 HydrophobicContact CG2-CB 3.99Å; R393-L397 PolarHBondContact O-N 3Å; L397-R399 VanDerWaalsContact C-N 3.34Å; L397-R399 PolarHBondContact O-N 3.48Å; L397-L400 PolarHBondContact O-N 2.85Å; L397-V401 HydrophobicContact CD1-CG2 4.46Å; L397-V401 WeakPolarHBondContact O-CB 3.4Å; L397-V401 WeakPolarHBondContact O-CG2 3.46Å; L397-V401 PolarHBondContact O-N 3.01Å
398K82.1Confident75.6Confident137 Ų137111 Ų11160%0.59657%0.574SS**Hα-helixtrans-57.1-44.9172-73.9168.7-160.4160.90111.9G394 D395 L400 A402G394-K398 VanDerWaalsContact O-CG 3.25Å; G394-K398 WeakPolarHBondContact O-CG 3.43Å; G394-K398 PolarHBondContact O-N 3.08Å; D395-K398 IonicContact OD1-NZ 3.24Å; D395-K398 PolarHBondContact OD1-NZ 3.47Å; K398-L400 VanDerWaalsContact C-N 3.34Å; K398-L400 PolarHBondContact O-N 3Å; K398-A402 VanDerWaalsContact O-CB 3.3Å; K398-A402 WeakPolarHBondContact O-CB 3.45Å; K398-A402 PolarHBondContact O-N 3.3Å
399R81.7Confident77.4Confident166 Ų166111.1 Ų111.163%0.62656%0.557SS**Hα-helixtrans-63-38.7175.8-72.7166-176.6172.22.4111.9D395 E396 L397 A402 K403D395-R399 WeakPolarHBondContact O-CD 3.49Å; D395-R399 WeakPolarHBondContact O-CG 3.46Å; D395-R399 PolarHBondContact O-N 2.92Å; E396-R399 CarbonylContact O-C 3.6Å; E396-R399 WeakPolarHBondContact O-CB 3.28Å; E396-R399 PolarHBondContact O-N 2.91Å; L397-R399 VanDerWaalsContact C-N 3.34Å; L397-R399 PolarHBondContact O-N 3.48Å; R399-A402 PolarHBondContact O-N 2.84Å; R399-K403 WeakPolarHBondContact O-CB 3.23Å; R399-K403 VanDerWaalsContact O-CG 3.3Å; R399-K403 WeakPolarHBondContact O-CG 3.31Å; R399-K403 PolarHBondContact O-N 3.36Å
400L79.8Confident79.2Confident76 Ų76107.4 Ų107.440%0.39855%0.545SS..Hα-helixtrans-70.2-44.7179.6-150.7162.6000110.8I392 E396 L397 K398 A402 K403 L404I392-L400 HydrophobicContact CD1-CD1 4.07Å; E396-L400 WeakPolarHBondContact O-CB 3.34Å; E396-L400 PolarHBondContact O-N 2.91Å; L397-L400 PolarHBondContact O-N 2.85Å; K398-L400 VanDerWaalsContact C-N 3.34Å; K398-L400 PolarHBondContact O-N 3Å; L400-A402 PolarHBondContact O-N 3.35Å; L400-K403 WeakPolarHBondContact O-CB 3.27Å; L400-K403 PolarHBondContact O-N 3.1Å; L400-L404 HydrophobicContact CD2-CD1 3.61Å; L400-L404 HydrophobicContact CD2-CG 4.01Å; L400-L404 WeakPolarHBondContact O-CG 3.31Å; L400-L404 PolarHBondContact O-N 3.21Å
401V85.3Confident80.9Confident57 Ų57106 Ų10635%0.34553%0.534SS..Hα-helixtrans-61.3-41.4172.31720000111.5L397 L404 R405L397-V401 HydrophobicContact CD1-CG2 4.46Å; L397-V401 WeakPolarHBondContact O-CB 3.4Å; L397-V401 WeakPolarHBondContact O-CG2 3.46Å; L397-V401 PolarHBondContact O-N 3.01Å; V401-L404 PolarHBondContact O-N 3.43Å; V401-R405 WeakPolarHBondContact O-CG 3.4Å; V401-R405 PolarHBondContact O-N 2.87Å
402A85.6Confident82.7Confident57 Ų57107.5 Ų107.547%0.47153%0.53SS..Hα-helixtrans-63.3-42.9174.500000112.2K398 R399 L400 L404 R405 S406K398-A402 VanDerWaalsContact O-CB 3.3Å; K398-A402 WeakPolarHBondContact O-CB 3.45Å; K398-A402 PolarHBondContact O-N 3.3Å; R399-A402 PolarHBondContact O-N 2.84Å; L400-A402 PolarHBondContact O-N 3.35Å; A402-L404 VanDerWaalsContact C-N 3.35Å; A402-L404 PolarHBondContact O-N 2.94Å; A402-R405 PolarHBondContact O-N 3.39Å; A402-S406 PolarHBondContact O-N 2.82Å; A402-S406 PolarHBondContact O-OG 3.5Å
403K86.6Confident84.2Confident139 Ų139109.9 Ų109.960%0.60454%0.537SS*.Hα-helixtrans-62.9-36.4172.8-76.2174.8-179.5-179.70112.6R399 L400 S406 K407R399-K403 WeakPolarHBondContact O-CB 3.23Å; R399-K403 VanDerWaalsContact O-CG 3.3Å; R399-K403 WeakPolarHBondContact O-CG 3.31Å; R399-K403 PolarHBondContact O-N 3.36Å; L400-K403 WeakPolarHBondContact O-CB 3.27Å; L400-K403 PolarHBondContact O-N 3.1Å; K403-S406 PolarHBondContact O-OG 3.23Å; K403-S406 VanDerWaalsContact O-OG 3.11Å; K403-K407 WeakPolarHBondContact O-CB 3.34Å; K403-K407 VanDerWaalsContact O-CG 3.29Å; K403-K407 WeakPolarHBondContact O-CG 3.32Å; K403-K407 PolarHBondContact O-N 3.28Å
404L87.6Confident85.2Confident104 Ų104107.9 Ų107.955%0.54553%0.53SS..Hα-helixtrans-70.8-42.1175.9-75.4170.4000111.7L400 V401 A402 K407 G408L400-L404 HydrophobicContact CD2-CD1 3.61Å; L400-L404 HydrophobicContact CD2-CG 4.01Å; L400-L404 WeakPolarHBondContact O-CG 3.31Å; L400-L404 PolarHBondContact O-N 3.21Å; V401-L404 PolarHBondContact O-N 3.43Å; A402-L404 VanDerWaalsContact C-N 3.35Å; A402-L404 PolarHBondContact O-N 2.94Å; L404-K407 PolarHBondContact O-N 2.97Å; L404-G408 PolarHBondContact O-N 3.43Å
405R87.9Confident86.2Confident189 Ų189113.7 Ų113.771%0.71354%0.537SS*.Hα-helixtrans-60.7-46.2173.4-73.3-178.2-173-176.13.2111.5V401 A402 G408 T409V401-R405 WeakPolarHBondContact O-CG 3.4Å; V401-R405 PolarHBondContact O-N 2.87Å; A402-R405 PolarHBondContact O-N 3.39Å; R405-G408 PolarHBondContact O-N 3.44Å; R405-T409 PolarHBondContact O-N 2.7Å; R405-T409 PolarHBondContact O-OG1 2.95Å
406S88.1Confident87.1Confident62 Ų62114.6 Ų114.643%0.43454%0.538SS..Hα-helixtrans-67-39.7179.167.70000112.6A402 K403 G408 T409 T410A402-S406 PolarHBondContact O-N 2.82Å; A402-S406 PolarHBondContact O-OG 3.5Å; K403-S406 PolarHBondContact O-OG 3.23Å; K403-S406 VanDerWaalsContact O-OG 3.11Å; S406-G408 VanDerWaalsContact C-N 3.33Å; S406-G408 PolarHBondContact O-N 2.93Å; S406-T409 WeakPolarHBondContact CA-OG1 3.48Å; S406-T409 PolarHBondContact O-N 2.92Å; S406-T409 PolarHBondContact O-OG1 3.43Å; S406-T410 WeakPolarHBondContact O-CB 3.41Å; S406-T410 PolarHBondContact O-N 2.99Å; S406-T410 PolarHBondContact O-OG1 2.96Å
407K90.1Very high87.9Confident152 Ų152112.3 Ų112.366%0.66153%0.528SS*.Hα-helixtrans-59.7-42.2169.3-78.2-178.7175.3-171.40111.8K403 L404 T410 Y411K403-K407 WeakPolarHBondContact O-CB 3.34Å; K403-K407 VanDerWaalsContact O-CG 3.29Å; K403-K407 WeakPolarHBondContact O-CG 3.32Å; K403-K407 PolarHBondContact O-N 3.28Å; L404-K407 PolarHBondContact O-N 2.97Å; K407-T410 PolarHBondContact O-N 3.25Å; K407-Y411 WeakPolarHBondContact O-CB 3.38Å; K407-Y411 PolarHBondContact O-N 2.95Å
408G91.4Very high88.7Confident32 Ų32112.9 Ų112.933%0.3353%0.531SS..Hα-helixtrans-62.9-42.2176.700000113.5L404 R405 S406 Y411 K412L404-G408 PolarHBondContact O-N 3.43Å; R405-G408 PolarHBondContact O-N 3.44Å; S406-G408 VanDerWaalsContact C-N 3.33Å; S406-G408 PolarHBondContact O-N 2.93Å; G408-Y411 PolarHBondContact O-N 3.28Å; G408-K412 WeakPolarHBondContact O-CG 3.47Å; G408-K412 PolarHBondContact O-N 3.02Å
409T90.6Very high89.1Confident91 Ų91109.1 Ų109.156%0.55853%0.525SS*.Hα-helixtrans-66.4-41.6174.148.20000111.9R405 S406 Y411 K412 K413R405-T409 PolarHBondContact O-N 2.7Å; R405-T409 PolarHBondContact O-OG1 2.95Å; S406-T409 WeakPolarHBondContact CA-OG1 3.48Å; S406-T409 PolarHBondContact O-N 2.92Å; S406-T409 PolarHBondContact O-OG1 3.43Å; T409-Y411 PolarHBondContact O-N 3.37Å; T409-K412 PolarHBondContact O-N 2.85Å; T409-K413 PolarHBondContact O-N 3.41Å
410T90.3Very high89.6Confident82 Ų82105.6 Ų105.650%0.50352%0.516SS..Hα-helixtrans-63.3-42.7176.5-58.90000111.4S406 K407 K413 R414S406-T410 WeakPolarHBondContact O-CB 3.41Å; S406-T410 PolarHBondContact O-N 2.99Å; S406-T410 PolarHBondContact O-OG1 2.96Å; K407-T410 PolarHBondContact O-N 3.25Å; T410-K413 PolarHBondContact O-N 2.84Å; T410-R414 HydrophobicContact CG2-CG 4.44Å; T410-R414 WeakPolarHBondContact O-CG 3.36Å; T410-R414 PolarHBondContact O-N 2.86Å
411Y92.3Very high90.1Very high151 Ų151106.9 Ų106.959%0.59252%0.522SS*.Hα-helixtrans-60-47174.8173.7-95.5000112K407 G408 T409 K413 R414 R415K407-Y411 WeakPolarHBondContact O-CB 3.38Å; K407-Y411 PolarHBondContact O-N 2.95Å; G408-Y411 PolarHBondContact O-N 3.28Å; T409-Y411 PolarHBondContact O-N 3.37Å; Y411-K413 PolarHBondContact O-N 3.5Å; Y411-R414 PolarHBondContact O-N 3.49Å; Y411-R415 WeakPolarHBondContact O-CB 3.4Å; Y411-R415 PolarHBondContact O-N 3.31Å
412K93Very high90.3Very high155 Ų155113.3 Ų113.367%0.67454%0.541SS*.Hα-helixtrans-59.5-44.5176.2-73.8-175.8-179.6-172.80111.8G408 T409 R415 Q416G408-K412 WeakPolarHBondContact O-CG 3.47Å; G408-K412 PolarHBondContact O-N 3.02Å; T409-K412 PolarHBondContact O-N 2.85Å; K412-R415 PolarHBondContact O-N 2.98Å; K412-Q416 PolarHBondContact O-N 2.78Å
413K91.1Very high90.6Very high133 Ų133113.5 Ų113.558%0.57854%0.542SS*.Hα-helixtrans-62.6-49.3177.8-163.7-169.2179.6-155.20112T409 T410 Y411 R415 Q416 E417T409-K413 PolarHBondContact O-N 3.41Å; T410-K413 PolarHBondContact O-N 2.84Å; Y411-K413 PolarHBondContact O-N 3.5Å; K413-R415 VanDerWaalsContact C-N 3.27Å; K413-R415 PolarHBondContact O-N 2.88Å; K413-Q416 WeakPolarHBondContact O-CB 3.29Å; K413-Q416 PolarHBondContact O-N 2.86Å; K413-E417 WeakPolarHBondContact CD-OE1 3.4Å; K413-E417 WeakPolarHBondContact CE-OE1 3.4Å; K413-E417 IonicContact NZ-OE1 3.23Å; K413-E417 PolarHBondContact NZ-OE1 3.29Å; K413-E417 WeakPolarHBondContact O-CG 3.45Å; K413-E417 PolarHBondContact O-N 2.91Å
414R90.7Very high90.8Very high154 Ų154112.4 Ų112.458%0.58154%0.539SS*.Hα-helixtrans-60.2-36176.8-69.7-50-162.1178.45.2112.8T410 Y411 E417 L418T410-R414 HydrophobicContact CG2-CG 4.44Å; T410-R414 WeakPolarHBondContact O-CG 3.36Å; T410-R414 PolarHBondContact O-N 2.86Å; Y411-R414 PolarHBondContact O-N 3.49Å; R414-E417 WeakPolarHBondContact CD-OE2 3.18Å; R414-E417 IonicContact CZ-OE2 2.79Å; R414-E417 IonicContact NE-OE2 3.02Å; R414-E417 IonicContact NH1-OE1 3.67Å; R414-E417 IonicContact NH1-OE2 3.31Å; R414-E417 PolarHBondContact NH1-OE2 3.39Å; R414-L418 WeakPolarHBondContact O-CB 3.32Å; R414-L418 WeakPolarHBondContact O-CG 3.33Å; R414-L418 PolarHBondContact O-N 3.38Å
415R93Very high90.9Very high170 Ų170115.2 Ų115.264%0.64254%0.543SS*.Hα-helixtrans-67.5-34.7174.4175.2176.1158.7170.6-5.7112.4Y411 K412 K413 A419Y411-R415 WeakPolarHBondContact O-CB 3.4Å; Y411-R415 PolarHBondContact O-N 3.31Å; K412-R415 PolarHBondContact O-N 2.98Å; K413-R415 VanDerWaalsContact C-N 3.27Å; K413-R415 PolarHBondContact O-N 2.88Å; R415-A419 PolarHBondContact O-N 2.94Å
416Q93.2Very high91.1Very high114 Ų114108 Ų10853%0.53353%0.528SS..Hα-helixtrans-71.3-47.5174.1178.4173-11.900111.5K412 K413 L418 A419 E420K412-Q416 PolarHBondContact O-N 2.78Å; K413-Q416 WeakPolarHBondContact O-CB 3.29Å; K413-Q416 PolarHBondContact O-N 2.86Å; Q416-L418 PolarHBondContact O-N 3.45Å; Q416-A419 WeakPolarHBondContact O-CA 3.38Å; Q416-A419 WeakPolarHBondContact O-CB 3.45Å; Q416-A419 PolarHBondContact O-N 3.26Å; Q416-E420 HydrophobicContact CG-CG 4.42Å; Q416-E420 VanDerWaalsContact CG-OE1 3.23Å; Q416-E420 WeakPolarHBondContact CG-OE1 3.37Å; Q416-E420 PolarHBondContact NE2-OE1 3.01Å; Q416-E420 PolarHBondContact O-N 3.04Å
417E91Very high91.3Very high46 Ų46109.4 Ų109.422%0.21553%0.534CS..Hα-helixtrans-54-41.2174.5-69.1167.4-172.900111.1K413 R414 A419 L421K413-E417 WeakPolarHBondContact CD-OE1 3.4Å; K413-E417 WeakPolarHBondContact CE-OE1 3.4Å; K413-E417 IonicContact NZ-OE1 3.23Å; K413-E417 PolarHBondContact NZ-OE1 3.29Å; K413-E417 WeakPolarHBondContact O-CG 3.45Å; K413-E417 PolarHBondContact O-N 2.91Å; R414-E417 WeakPolarHBondContact CD-OE2 3.18Å; R414-E417 IonicContact CZ-OE2 2.79Å; R414-E417 IonicContact NE-OE2 3.02Å; R414-E417 IonicContact NH1-OE1 3.67Å; R414-E417 IonicContact NH1-OE2 3.31Å; R414-E417 PolarHBondContact NH1-OE2 3.39Å; E417-A419 VanDerWaalsContact C-N 3.34Å; E417-A419 PolarHBondContact O-N 3.29Å; E417-L421 WeakPolarHBondContact O-CB 3.34Å; E417-L421 VanDerWaalsContact O-CG 3.3Å; E417-L421 WeakPolarHBondContact O-CG 3.35Å; E417-L421 PolarHBondContact O-N 3.4Å
418L90.3Very high91.2Very high104 Ų104107.5 Ų107.555%0.54553%0.531SS..Hα-helixtrans-69.1-24.6174.2-77.7170.5000114.7R414 Q416 R422R414-L418 WeakPolarHBondContact O-CB 3.32Å; R414-L418 WeakPolarHBondContact O-CG 3.33Å; R414-L418 PolarHBondContact O-N 3.38Å; Q416-L418 PolarHBondContact O-N 3.45Å; L418-R422 WeakPolarHBondContact O-CD 3.04Å; L418-R422 VanDerWaalsContact O-CG 3.23Å; L418-R422 WeakPolarHBondContact O-CG 3.49Å; L418-R422 PolarHBondContact O-N 3.33Å
419A92.5Very high91.2Very high58 Ų58110.1 Ų110.148%0.47953%0.534SS..Hα-helixtrans-80.4-40.5175.300000111.1R415 Q416 E417 R422 A423R415-A419 PolarHBondContact O-N 2.94Å; Q416-A419 WeakPolarHBondContact O-CA 3.38Å; Q416-A419 WeakPolarHBondContact O-CB 3.45Å; Q416-A419 PolarHBondContact O-N 3.26Å; E417-A419 VanDerWaalsContact C-N 3.34Å; E417-A419 PolarHBondContact O-N 3.29Å; A419-R422 PolarHBondContact O-N 3.07Å; A419-A423 PolarHBondContact O-N 2.98Å
420E91.7Very high91.2Very high91 Ų91114.3 Ų114.343%0.42554%0.54SS..Hα-helixtrans-61.3-50.9174.8-71.6163.1-179.700110.5Q416 R422 A423 E424Q416-E420 HydrophobicContact CG-CG 4.42Å; Q416-E420 VanDerWaalsContact CG-OE1 3.23Å; Q416-E420 WeakPolarHBondContact CG-OE1 3.37Å; Q416-E420 PolarHBondContact NE2-OE1 3.01Å; Q416-E420 PolarHBondContact O-N 3.04Å; E420-R422 VanDerWaalsContact C-N 3.25Å; E420-R422 PolarHBondContact O-N 3.47Å; E420-A423 WeakPolarHBondContact O-CB 3.26Å; E420-A423 PolarHBondContact O-N 2.85Å; E420-E424 PolarHBondContact O-N 3.41Å
421L90.2Very high91.1Very high104 Ų104113.6 Ų113.655%0.54554%0.535SS..Hα-helixtrans-58.6-33175.9-72.6169.8000113.6E417 Y425E417-L421 WeakPolarHBondContact O-CB 3.34Å; E417-L421 VanDerWaalsContact O-CG 3.3Å; E417-L421 WeakPolarHBondContact O-CG 3.35Å; E417-L421 PolarHBondContact O-N 3.4Å; L421-Y425 VanDerWaalsContact O-CB 3.28Å; L421-Y425 WeakPolarHBondContact O-CB 3.48Å; L421-Y425 PolarHBondContact O-N 3.33Å
422R89.8Confident91Very high192 Ų192111 Ų11173%0.72553%0.529SS*.Hα-helixtrans-73.2-36.5174.8-77.6173.4178.5-171-1.6112.4L418 A419 E420 G426L418-R422 WeakPolarHBondContact O-CD 3.04Å; L418-R422 VanDerWaalsContact O-CG 3.23Å; L418-R422 WeakPolarHBondContact O-CG 3.49Å; L418-R422 PolarHBondContact O-N 3.33Å; A419-R422 PolarHBondContact O-N 3.07Å; E420-R422 VanDerWaalsContact C-N 3.25Å; E420-R422 PolarHBondContact O-N 3.47Å; R422-G426 PolarHBondContact O-N 3.45Å; R422-G426 VanDerWaalsContact O-N 3.1Å
423A91.1Very high90.8Very high61 Ų61108.3 Ų108.350%0.50452%0.518SS..Hα-helixtrans-68-45.7174.900000110.8A419 E420 G426 V427A419-A423 PolarHBondContact O-N 2.98Å; E420-A423 WeakPolarHBondContact O-CB 3.26Å; E420-A423 PolarHBondContact O-N 2.85Å; A423-G426 PolarHBondContact O-N 3.42Å; A423-V427 WeakPolarHBondContact O-CG2 3.5Å; A423-V427 PolarHBondContact O-N 2.93Å
424E90.7Very high90.7Very high116 Ų116106 Ų10654%0.54251%0.512SS..Hα-helixtrans-58.6-47.3173.9-72.1-178169.800111.4E420 G426 V427 L428E420-E424 PolarHBondContact O-N 3.41Å; E424-G426 VanDerWaalsContact C-N 3.32Å; E424-G426 PolarHBondContact O-N 3.03Å; E424-V427 PolarHBondContact O-N 2.88Å; E424-V427 VanDerWaalsContact O-N 3.12Å; E424-L428 HydrophobicContact CB-CD1 4.49Å; E424-L428 WeakPolarHBondContact O-CD1 3.44Å; E424-L428 PolarHBondContact O-N 2.91Å
425Y90.6Very high90.5Very high162 Ų162104.3 Ų104.364%0.63551%0.514SS*.Hα-helixtrans-56-44.5175.3-178.8-98.9000112.5L421 V427 L428 Q429L421-Y425 VanDerWaalsContact O-CB 3.28Å; L421-Y425 WeakPolarHBondContact O-CB 3.48Å; L421-Y425 PolarHBondContact O-N 3.33Å; Y425-V427 PolarHBondContact O-N 3.12Å; Y425-L428 PolarHBondContact O-N 3.02Å; Y425-Q429 WeakPolarHBondContact O-CB 3.33Å; Y425-Q429 PolarHBondContact O-N 3.5Å
426G92Very high90.1Very high38 Ų38103.7 Ų103.739%0.39251%0.512SS..Hα-helixtrans-65.9-34.5176.200000113.9R422 A423 E424 R430R422-G426 PolarHBondContact O-N 3.45Å; R422-G426 VanDerWaalsContact O-N 3.1Å; A423-G426 PolarHBondContact O-N 3.42Å; E424-G426 VanDerWaalsContact C-N 3.32Å; E424-G426 PolarHBondContact O-N 3.03Å; G426-R430 WeakPolarHBondContact O-CB 3.49Å; G426-R430 PolarHBondContact O-N 3.38Å
427V91.3Very high89.8Confident92 Ų92103.6 Ų103.656%0.55851%0.511SS*.Hα-helixtrans-68.7-46.7172.6172.90000110.5A423 E424 Y425 Q429 R430 T431A423-V427 WeakPolarHBondContact O-CG2 3.5Å; A423-V427 PolarHBondContact O-N 2.93Å; E424-V427 PolarHBondContact O-N 2.88Å; E424-V427 VanDerWaalsContact O-N 3.12Å; Y425-V427 PolarHBondContact O-N 3.12Å; V427-Q429 PolarHBondContact O-N 3.03Å; V427-R430 PolarHBondContact O-N 3.22Å; V427-T431 HydrophobicContact CG1-CG2 4.4Å; V427-T431 WeakPolarHBondContact O-CG2 3.45Å; V427-T431 PolarHBondContact O-N 3.01Å; V427-T431 PolarHBondContact O-OG1 3.37Å
428L89.6Confident89.5Confident112 Ų112108.1 Ų108.159%0.58653%0.53SS*.Hα-helixtrans-57.4-49.3177.6-94.794.3000111.2E424 Y425 R430 T431 E432E424-L428 HydrophobicContact CB-CD1 4.49Å; E424-L428 WeakPolarHBondContact O-CD1 3.44Å; E424-L428 PolarHBondContact O-N 2.91Å; Y425-L428 PolarHBondContact O-N 3.02Å; L428-R430 VanDerWaalsContact C-N 3.32Å; L428-R430 PolarHBondContact O-N 2.95Å; L428-T431 WeakPolarHBondContact CA-OG1 3.36Å; L428-T431 PolarHBondContact O-N 2.95Å; L428-T431 VanDerWaalsContact O-N 3.09Å; L428-T431 PolarHBondContact O-OG1 3.18Å; L428-E432 PolarHBondContact O-N 2.88Å
429Q90.3Very high89.2Confident87 Ų87108.7 Ų108.741%0.40753%0.53SS..Hα-helixtrans-56.4-45.5177.8-173.8178.2-900111.5Y425 V427 T431 E432 E433Y425-Q429 WeakPolarHBondContact O-CB 3.33Å; Y425-Q429 PolarHBondContact O-N 3.5Å; V427-Q429 PolarHBondContact O-N 3.03Å; Q429-T431 PolarHBondContact O-N 3.4Å; Q429-E432 PolarHBondContact O-N 3.36Å; Q429-E433 WeakPolarHBondContact O-CG 3.31Å; Q429-E433 PolarHBondContact O-N 3.48Å
430R90.7Very high88.8Confident178 Ų178109.7 Ų109.767%0.67253%0.527SS*.Hα-helixtrans-66.1-36176.5-169.5177.5-174.7137.33.6113G426 V427 L428 L434G426-R430 WeakPolarHBondContact O-CB 3.49Å; G426-R430 PolarHBondContact O-N 3.38Å; V427-R430 PolarHBondContact O-N 3.22Å; L428-R430 VanDerWaalsContact C-N 3.32Å; L428-R430 PolarHBondContact O-N 2.95Å; R430-L434 HydrophobicContact CG-CD1 4.38Å; R430-L434 WeakPolarHBondContact O-CB 3.39Å; R430-L434 WeakPolarHBondContact O-CG 3.33Å; R430-L434 PolarHBondContact O-N 3.1Å; R430-L434 VanDerWaalsContact O-N 3.1Å
431T89.2Confident88.4Confident68 Ų68109.4 Ų109.442%0.41753%0.528SS..Hα-helixtrans-70.2-35.517553.40000112.2V427 L428 Q429 L434 L435V427-T431 HydrophobicContact CG1-CG2 4.4Å; V427-T431 WeakPolarHBondContact O-CG2 3.45Å; V427-T431 PolarHBondContact O-N 3.01Å; V427-T431 PolarHBondContact O-OG1 3.37Å; L428-T431 WeakPolarHBondContact CA-OG1 3.36Å; L428-T431 PolarHBondContact O-N 2.95Å; L428-T431 VanDerWaalsContact O-N 3.09Å; L428-T431 PolarHBondContact O-OG1 3.18Å; Q429-T431 PolarHBondContact O-N 3.4Å; T431-L434 PolarHBondContact O-N 2.88Å; T431-L435 WeakPolarHBondContact O-CB 3.48Å; T431-L435 VanDerWaalsContact O-CG 3.23Å; T431-L435 WeakPolarHBondContact O-CG 3.25Å; T431-L435 PolarHBondContact O-N 3.27Å
432E88.3Confident87.9Confident96 Ų96108.2 Ų108.245%0.44952%0.524SS..Hα-helixtrans-62.5-48.5173.9-171.1-172169.500110.8L428 Q429 L434 L435 R436L428-E432 PolarHBondContact O-N 2.88Å; Q429-E432 PolarHBondContact O-N 3.36Å; E432-L434 PolarHBondContact O-N 3.2Å; E432-L435 PolarHBondContact O-N 3.36Å; E432-R436 WeakPolarHBondContact O-CG 3.27Å; E432-R436 PolarHBondContact O-N 2.9Å; E432-R436 IonicContact OE1-CZ 2.6Å; E432-R436 VanDerWaalsContact OE1-CZ 3.24Å; E432-R436 IonicContact OE1-NE 2.69Å; E432-R436 PolarHBondContact OE1-NE 2.89Å; E432-R436 VanDerWaalsContact OE1-NE 3.09Å; E432-R436 IonicContact OE1-NH2 3.47Å; E432-R436 PolarHBondContact OE1-NH2 3.19Å
433E89.1Confident87.3Confident98 Ų98103 Ų10346%0.45851%0.508SS..Hα-helixtrans-58.1-45.9176.7-72.7170.3-171.700112Q429 L435 Q437Q429-E433 WeakPolarHBondContact O-CG 3.31Å; Q429-E433 PolarHBondContact O-N 3.48Å; E433-L435 PolarHBondContact O-N 2.92Å; E433-Q437 WeakPolarHBondContact O-CB 3.43Å; E433-Q437 VanDerWaalsContact O-CG 3.27Å; E433-Q437 WeakPolarHBondContact O-CG 3.33Å; E433-Q437 PolarHBondContact O-N 2.86Å
434L89.1Confident86.6Confident85 Ų85106.1 Ų106.145%0.44551%0.512SS..Hα-helixtrans-66.3-34.7177.1-75.4170.6000113.3R430 T431 E432 K438R430-L434 HydrophobicContact CG-CD1 4.38Å; R430-L434 WeakPolarHBondContact O-CB 3.39Å; R430-L434 WeakPolarHBondContact O-CG 3.33Å; R430-L434 PolarHBondContact O-N 3.1Å; R430-L434 VanDerWaalsContact O-N 3.1Å; T431-L434 PolarHBondContact O-N 2.88Å; E432-L434 PolarHBondContact O-N 3.2Å; L434-K438 WeakPolarHBondContact O-CB 3.48Å; L434-K438 WeakPolarHBondContact O-CG 3.46Å; L434-K438 PolarHBondContact O-N 3.11Å; L434-K438 VanDerWaalsContact O-N 3.12Å
435L86.4Confident85.9Confident119 Ų119106.9 Ų106.962%0.62351%0.514SS*.Hα-helixtrans-73.5-42.1177.6-75.5170.8000111.5T431 E432 E433 K438 H439T431-L435 WeakPolarHBondContact O-CB 3.48Å; T431-L435 VanDerWaalsContact O-CG 3.23Å; T431-L435 WeakPolarHBondContact O-CG 3.25Å; T431-L435 PolarHBondContact O-N 3.27Å; E432-L435 PolarHBondContact O-N 3.36Å; E433-L435 PolarHBondContact O-N 2.92Å; L435-K438 PolarHBondContact O-N 2.89Å; L435-H439 WeakPolarHBondContact O-CB 3.32Å; L435-H439 PolarHBondContact O-N 3.13Å
436R86.3Confident84.8Confident156 Ų156102.6 Ų102.659%0.58950%0.502SS*.Hα-helixtrans-58.3-51.5172.3-71.9-176.6-174.7-147.55.9111E432 K438 H439 D440E432-R436 WeakPolarHBondContact O-CG 3.27Å; E432-R436 PolarHBondContact O-N 2.9Å; E432-R436 IonicContact OE1-CZ 2.6Å; E432-R436 VanDerWaalsContact OE1-CZ 3.24Å; E432-R436 IonicContact OE1-NE 2.69Å; E432-R436 PolarHBondContact OE1-NE 2.89Å; E432-R436 VanDerWaalsContact OE1-NE 3.09Å; E432-R436 IonicContact OE1-NH2 3.47Å; E432-R436 PolarHBondContact OE1-NH2 3.19Å; R436-K438 VanDerWaalsContact C-N 3.29Å; R436-K438 PolarHBondContact O-N 2.82Å; R436-H439 WeakPolarHBondContact O-CB 3.38Å; R436-H439 PolarHBondContact O-N 3.01Å; R436-D440 PolarHBondContact O-N 3.12Å
437Q86.9Confident83.8Confident113 Ų113106.2 Ų106.253%0.52851%0.508SS..Hα-helixtrans-55.8-41.2177-73.2172.59.800112.9E433 I441E433-Q437 WeakPolarHBondContact O-CB 3.43Å; E433-Q437 VanDerWaalsContact O-CG 3.27Å; E433-Q437 WeakPolarHBondContact O-CG 3.33Å; E433-Q437 PolarHBondContact O-N 2.86Å; Q437-I441 VanDerWaalsContact O-CD1 3.32Å; Q437-I441 WeakPolarHBondContact O-CD1 3.29Å; Q437-I441 WeakPolarHBondContact O-CG1 3.36Å; Q437-I441 PolarHBondContact O-N 3.37Å
438K84.4Confident82.9Confident141 Ų141105.5 Ų105.561%0.61350%0.504SS*.Hα-helixtrans-69.5-40.2175.8-77.4-178.9178.3-175.90112.6L434 L435 R436 I441 V442L434-K438 WeakPolarHBondContact O-CB 3.48Å; L434-K438 WeakPolarHBondContact O-CG 3.46Å; L434-K438 PolarHBondContact O-N 3.11Å; L434-K438 VanDerWaalsContact O-N 3.12Å; L435-K438 PolarHBondContact O-N 2.89Å; R436-K438 VanDerWaalsContact C-N 3.29Å; R436-K438 PolarHBondContact O-N 2.82Å; K438-I441 PolarHBondContact O-N 3.38Å; K438-V442 WeakPolarHBondContact O-CB 3.33Å; K438-V442 VanDerWaalsContact O-CG2 3.31Å; K438-V442 WeakPolarHBondContact O-CG2 3.42Å; K438-V442 PolarHBondContact O-N 2.87Å
439H82.9Confident81.9Confident116 Ų116103.5 Ų103.554%0.53750%0.496SS..Hα-helixtrans-61.6-48.9176.8-175.472.1000110.6L435 R436 I441 V442 Q443L435-H439 WeakPolarHBondContact O-CB 3.32Å; L435-H439 PolarHBondContact O-N 3.13Å; R436-H439 WeakPolarHBondContact O-CB 3.38Å; R436-H439 PolarHBondContact O-N 3.01Å; H439-I441 VanDerWaalsContact C-N 3.33Å; H439-I441 PolarHBondContact O-N 3.49Å; H439-V442 PolarHBondContact O-N 3.11Å; H439-V442 VanDerWaalsContact O-N 3.09Å; H439-Q443 WeakPolarHBondContact O-CB 3.39Å; H439-Q443 PolarHBondContact O-N 3.48Å
440D83.5Confident80.9Confident79 Ų79100.8 Ų100.842%0.42248%0.484SS..Hα-helixtrans-57.7-43.8178-59.5-22.2000111.6R436 Q443 Q444R436-D440 PolarHBondContact O-N 3.12Å; D440-Q443 PolarHBondContact O-N 3.33Å; D440-Q444 WeakPolarHBondContact O-CB 3.42Å; D440-Q444 VanDerWaalsContact O-CG 3.23Å; D440-Q444 WeakPolarHBondContact O-CG 3.5Å; D440-Q444 PolarHBondContact O-N 3.12Å
441I84Confident79.6Confident85 Ų8596 Ų9644%0.43648%0.482SS..Hα-helixtrans-64.6-40176.6-69.1164.9000111.9Q437 K438 H439 K445Q437-I441 VanDerWaalsContact O-CD1 3.32Å; Q437-I441 WeakPolarHBondContact O-CD1 3.29Å; Q437-I441 WeakPolarHBondContact O-CG1 3.36Å; Q437-I441 PolarHBondContact O-N 3.37Å; K438-I441 PolarHBondContact O-N 3.38Å; H439-I441 VanDerWaalsContact C-N 3.33Å; H439-I441 PolarHBondContact O-N 3.49Å; I441-K445 HydrophobicContact CG2-CD 4.29Å; I441-K445 WeakPolarHBondContact O-CB 3.23Å; I441-K445 VanDerWaalsContact O-CG 3.28Å; I441-K445 WeakPolarHBondContact O-CG 3.25Å; I441-K445 PolarHBondContact O-N 2.92Å; I441-K445 VanDerWaalsContact O-N 3.14Å
442V79.7Confident78.5Confident78 Ų78100.3 Ų100.347%0.47350%0.498SS..Hα-helixtrans-71-42178.6168.90000110.7K438 H439 K445 L446K438-V442 WeakPolarHBondContact O-CB 3.33Å; K438-V442 VanDerWaalsContact O-CG2 3.31Å; K438-V442 WeakPolarHBondContact O-CG2 3.42Å; K438-V442 PolarHBondContact O-N 2.87Å; H439-V442 PolarHBondContact O-N 3.11Å; H439-V442 VanDerWaalsContact O-N 3.09Å; V442-K445 PolarHBondContact O-N 3.01Å; V442-L446 HydrophobicContact CG1-CD1 3.83Å; V442-L446 WeakPolarHBondContact O-CG 3.48Å; V442-L446 PolarHBondContact O-N 2.94Å
443Q77.8Confident77.2Confident82 Ų82103.4 Ų103.438%0.38351%0.51SS..Hα-helixtrans-65.9-42.3178.9-163.6175.431.100111.5H439 D440 K445 L446 Q447H439-Q443 WeakPolarHBondContact O-CB 3.39Å; H439-Q443 PolarHBondContact O-N 3.48Å; D440-Q443 PolarHBondContact O-N 3.33Å; Q443-K445 VanDerWaalsContact C-N 3.34Å; Q443-K445 PolarHBondContact O-N 2.74Å; Q443-L446 PolarHBondContact O-N 3.02Å; Q443-Q447 WeakPolarHBondContact O-CB 3.34Å; Q443-Q447 WeakPolarHBondContact O-CG 3.4Å; Q443-Q447 PolarHBondContact O-N 3.22Å
444Q76.2Confident75.7Confident127 Ų127102.1 Ų102.159%0.59352%0.523SS*.Hα-helixtrans-61.5-40.6172.1-73.7173.611.200112D440 T448D440-Q444 WeakPolarHBondContact O-CB 3.42Å; D440-Q444 VanDerWaalsContact O-CG 3.23Å; D440-Q444 WeakPolarHBondContact O-CG 3.5Å; D440-Q444 PolarHBondContact O-N 3.12Å; Q444-T448 WeakPolarHBondContact O-CG2 3.5Å; Q444-T448 PolarHBondContact O-N 3.5Å; Q444-T448 PolarHBondContact O-OG1 2.89Å
445K75.5Confident74.2Confident133 Ų133102.8 Ų102.858%0.57853%0.526SS*.Hα-helixtrans-65.3-42.9175.3-77.1175-179.3-178.40112.3I441 V442 Q443 T448 V449I441-K445 HydrophobicContact CG2-CD 4.29Å; I441-K445 WeakPolarHBondContact O-CB 3.23Å; I441-K445 VanDerWaalsContact O-CG 3.28Å; I441-K445 WeakPolarHBondContact O-CG 3.25Å; I441-K445 PolarHBondContact O-N 2.92Å; I441-K445 VanDerWaalsContact O-N 3.14Å; V442-K445 PolarHBondContact O-N 3.01Å; Q443-K445 VanDerWaalsContact C-N 3.34Å; Q443-K445 PolarHBondContact O-N 2.74Å; K445-T448 WeakPolarHBondContact CA-OG1 3.4Å; K445-T448 PolarHBondContact O-N 3.34Å; K445-T448 PolarHBondContact O-OG1 3.3Å; K445-V449 WeakPolarHBondContact O-CG2 3.26Å; K445-V449 PolarHBondContact O-N 3.39Å
446L68.8Low72.7Confident72 Ų72102.3 Ų102.338%0.37753%0.533SS..Hα-helixtrans-61.7-50.5175.3-77.3161.5000111.1V442 Q443 T448 V449 E450V442-L446 HydrophobicContact CG1-CD1 3.83Å; V442-L446 WeakPolarHBondContact O-CG 3.48Å; V442-L446 PolarHBondContact O-N 2.94Å; Q443-L446 PolarHBondContact O-N 3.02Å; L446-T448 VanDerWaalsContact C-N 3.32Å; L446-T448 PolarHBondContact O-N 2.85Å; L446-V449 PolarHBondContact O-N 2.94Å; L446-V449 VanDerWaalsContact O-N 3.1Å; L446-E450 WeakPolarHBondContact O-CB 3.49Å; L446-E450 WeakPolarHBondContact O-CG 3.5Å; L446-E450 PolarHBondContact O-N 2.96Å
447Q70.8Confident71.6Confident113 Ų11396.4 Ų96.453%0.52852%0.52SS..Hα-helixtrans-58.3-40177.3-72.8174.4-1.800112.8Q443 A451Q443-Q447 WeakPolarHBondContact O-CB 3.34Å; Q443-Q447 WeakPolarHBondContact O-CG 3.4Å; Q443-Q447 PolarHBondContact O-N 3.22Å; Q447-A451 VanDerWaalsContact O-CB 3.26Å; Q447-A451 WeakPolarHBondContact O-CB 3.42Å; Q447-A451 PolarHBondContact O-N 2.97Å
448T72.7Confident70.3Confident77 Ų7797.7 Ų97.747%0.47252%0.521SS..Hα-helixtrans-68.9-35.5175.353.30000113.5Q444 K445 L446 Q452Q444-T448 WeakPolarHBondContact O-CG2 3.5Å; Q444-T448 PolarHBondContact O-N 3.5Å; Q444-T448 PolarHBondContact O-OG1 2.89Å; K445-T448 WeakPolarHBondContact CA-OG1 3.4Å; K445-T448 PolarHBondContact O-N 3.34Å; K445-T448 PolarHBondContact O-OG1 3.3Å; L446-T448 VanDerWaalsContact C-N 3.32Å; L446-T448 PolarHBondContact O-N 2.85Å; T448-Q452 WeakPolarHBondContact O-CB 3.36Å; T448-Q452 WeakPolarHBondContact O-CG 3.35Å; T448-Q452 PolarHBondContact O-N 3.39Å
449V68.4Low69.2Low70 Ų7092.4 Ų92.442%0.42450%0.501SS..Hα-helixtrans-72.2-39175.71710000111.6K445 L446 Q452 K453K445-V449 WeakPolarHBondContact O-CG2 3.26Å; K445-V449 PolarHBondContact O-N 3.39Å; L446-V449 PolarHBondContact O-N 2.94Å; L446-V449 VanDerWaalsContact O-N 3.1Å; V449-Q452 PolarHBondContact O-N 3.49Å; V449-K453 PolarHBondContact O-N 3.41Å; V449-K453 VanDerWaalsContact O-N 3.11Å
450E67.4Low68.1Low30 Ų3092 Ų9214%0.1450%0.503CS..Hα-helixtrans-61.8-47.1173.1-78.5-162.3157.100111.8L446 Q452 K453 G454 I455 G457 Y458 S459L446-E450 WeakPolarHBondContact O-CB 3.49Å; L446-E450 WeakPolarHBondContact O-CG 3.5Å; L446-E450 PolarHBondContact O-N 2.96Å; E450-Q452 PolarHBondContact O-N 3.12Å; E450-K453 CarbonylContact O-C 3.56Å; E450-K453 PolarHBondContact O-N 3.25Å; E450-G454 PolarHBondContact O-N 2.99Å; E450-I455 WeakPolarHBondContact CB-O 3.33Å; E450-I455 WeakPolarHBondContact CG-O 3.38Å; E450-I455 PolarHBondContact O-N 2.89Å; E450-I455 VanDerWaalsContact O-N 3.13Å; E450-G457 PolarHBondContact OE1-N 3.21Å; E450-G457 PolarHBondContact OE2-N 2.93Å; E450-Y458 PolarHBondContact OE1-N 3.5Å; E450-S459 VanDerWaalsContact OE1-CB 3.28Å; E450-S459 WeakPolarHBondContact OE1-CB 3.09Å; E450-S459 PolarHBondContact OE1-N 3.15Å
451A64.8Low66.9Low78 Ų7892.1 Ų92.165%0.64551%0.507SS*.Hα-helixtrans-62.1-41.1175.500000112.3Q447 K453 G454Q447-A451 VanDerWaalsContact O-CB 3.26Å; Q447-A451 WeakPolarHBondContact O-CB 3.42Å; Q447-A451 PolarHBondContact O-N 2.97Å; A451-K453 PolarHBondContact O-N 2.99Å; A451-G454 PolarHBondContact O-N 3.38Å
452Q65.5Low65.8Low159 Ų15991.9 Ų91.974%0.74350%0.504SS*.Hα-helixtrans-65.7-24.2176-78.5174.39.200113.7T448 V449 E450T448-Q452 WeakPolarHBondContact O-CB 3.36Å; T448-Q452 WeakPolarHBondContact O-CG 3.35Å; T448-Q452 PolarHBondContact O-N 3.39Å; V449-Q452 PolarHBondContact O-N 3.49Å; E450-Q452 PolarHBondContact O-N 3.12Å
453K60.6Low64.9Low161 Ų16193 Ų9370%0.750%0.504SS*.Hα-helixtrans-100.50.1177.6-68.9-173.8177.6-177.20114V449 E450 A451 I455V449-K453 PolarHBondContact O-N 3.41Å; V449-K453 VanDerWaalsContact O-N 3.11Å; E450-K453 CarbonylContact O-C 3.56Å; E450-K453 PolarHBondContact O-N 3.25Å; A451-K453 PolarHBondContact O-N 2.99Å; K453-I455 VanDerWaalsContact C-N 3.32Å; K453-I455 PolarHBondContact O-N 3.17Å
454G58.4Low64Low71 Ų7194.7 Ų94.773%0.73251%0.512SS*.THydrogen-bonded Turntrans72.120.1176.900000114.8E450 A451E450-G454 PolarHBondContact O-N 2.99Å; A451-G454 PolarHBondContact O-N 3.38Å
455I57Low63.1Low99 Ų9994.8 Ų94.851%0.50852%0.516SS..  trans-135.297.3-177-51170.6000108.5E450 K453 Y458E450-I455 WeakPolarHBondContact CB-O 3.33Å; E450-I455 WeakPolarHBondContact CG-O 3.38Å; E450-I455 PolarHBondContact O-N 2.89Å; E450-I455 VanDerWaalsContact O-N 3.13Å; K453-I455 VanDerWaalsContact C-N 3.32Å; K453-I455 PolarHBondContact O-N 3.17Å; I455-Y458 HydrophobicContact CG2-CD2 4.47Å
456S56.3Low62.4Low109 Ų10993.9 Ų93.976%0.76251%0.514SS*.THydrogen-bonded Turntrans-86.3133.1172.956.90000111.5
457G62.4Low62.1Low31 Ų3195.6 Ų95.632%0.3252%0.515SS..THydrogen-bonded Turntrans90.918.5175.600000115.6E450 T461E450-G457 PolarHBondContact OE1-N 3.21Å; E450-G457 PolarHBondContact OE2-N 2.93Å; G457-T461 PolarHBondContact O-OG1 3.23Å; G457-T461 VanDerWaalsContact O-OG1 3.09Å
458Y59.9Low61.4Low141 Ų14195 Ų9555%0.55352%0.52SS*.Hα-helixtrans-82.1-32.6174.6-168.5-97.7000111.6E450 I455 T461 Q462E450-Y458 PolarHBondContact OE1-N 3.5Å; I455-Y458 HydrophobicContact CG2-CD2 4.47Å; Y458-T461 PolarHBondContact O-OG1 2.91Å; Y458-Q462 WeakPolarHBondContact O-CB 3.2Å; Y458-Q462 PolarHBondContact O-N 3.38Å; Y458-Q462 VanDerWaalsContact O-N 3.09Å
459S60.3Low60.5Low29 Ų2995.4 Ų95.420%0.20353%0.525CS..Hα-helixtrans-61.3-49.7176.1-175.70000111.8E450 T461 Q462 E463E450-S459 VanDerWaalsContact OE1-CB 3.28Å; E450-S459 WeakPolarHBondContact OE1-CB 3.09Å; E450-S459 PolarHBondContact OE1-N 3.15Å; S459-T461 VanDerWaalsContact C-N 3.31Å; S459-T461 PolarHBondContact O-N 2.98Å; S459-Q462 PolarHBondContact O-N 3.43Å; S459-E463 WeakPolarHBondContact O-CB 3.13Å; S459-E463 PolarHBondContact O-N 3.14Å
460D59.3Low60.1Low107 Ų10795 Ų9557%0.57253%0.529SS*.Hα-helixtrans-64-38.3-175.7-63.2-25.1000111.7E464D460-E464 PolarHBondContact O-N 3.35Å
461T59.9Low59.9Low83 Ų8398.8 Ų98.851%0.50955%0.549SS..Hα-helixtrans-75.6-30.5179.347.30000113.2G457 Y458 S459G457-T461 PolarHBondContact O-OG1 3.23Å; G457-T461 VanDerWaalsContact O-OG1 3.09Å; Y458-T461 PolarHBondContact O-OG1 2.91Å; S459-T461 VanDerWaalsContact C-N 3.31Å; S459-T461 PolarHBondContact O-N 2.98Å
462Q59.9Low59.5Low79 Ų79102 Ų10237%0.36955%0.549SS..Hα-helixtrans-79.3-38173.6-176.8153.1-2000112.9Y458 S459 E464 L465 E466Y458-Q462 WeakPolarHBondContact O-CB 3.2Å; Y458-Q462 PolarHBondContact O-N 3.38Å; Y458-Q462 VanDerWaalsContact O-N 3.09Å; S459-Q462 PolarHBondContact O-N 3.43Å; Q462-E464 PolarHBondContact O-N 3.33Å; Q462-L465 PolarHBondContact O-N 2.85Å; Q462-E466 HydrophobicContact CG-CG 4.25Å; Q462-E466 WeakPolarHBondContact CG-OE1 3.46Å; Q462-E466 PolarHBondContact NE2-OE1 3.04Å; Q462-E466 PolarHBondContact O-N 2.93Å
463E60.7Low59.4Low103 Ų10398.5 Ų98.548%0.48154%0.542SS..Hα-helixtrans-61.9-33.7177-160.4-168.3-125.100111.3S459 R467S459-E463 WeakPolarHBondContact O-CB 3.13Å; S459-E463 PolarHBondContact O-N 3.14Å; E463-R467 VanDerWaalsContact O-CB 3.28Å; E463-R467 WeakPolarHBondContact O-CB 3.41Å; E463-R467 VanDerWaalsContact O-CG 3.23Å; E463-R467 WeakPolarHBondContact O-CG 3.38Å; E463-R467 PolarHBondContact O-N 3.49Å; E463-R467 IonicContact OE2-CZ 3.01Å; E463-R467 IonicContact OE2-NE 3.74Å; E463-R467 PolarHBondContact OE2-NE 2.79Å; E463-R467 IonicContact OE2-NH2 3.22Å; E463-R467 PolarHBondContact OE2-NH2 3.46Å
464E59.9Low59.5Low116 Ų11694.7 Ų94.754%0.54253%0.529SS..Hα-helixtrans-69.8-37.7176.2-157.4135.4-102.700112.8D460 Q462 R467 V468D460-E464 PolarHBondContact O-N 3.35Å; Q462-E464 PolarHBondContact O-N 3.33Å; E464-R467 IonicContact OE1-NH1 3.09Å; E464-R467 PolarHBondContact OE1-NH1 3.44Å; E464-V468 WeakPolarHBondContact O-CG2 3.33Å; E464-V468 PolarHBondContact O-N 3.41Å
465L56.8Low59.8Low130 Ų13095.4 Ų95.468%0.68152%0.516SS*.Hα-helixtrans-70.1-41.3173.7-93157.3000112.6Q462 V468 S469Q462-L465 PolarHBondContact O-N 2.85Å; L465-V468 PolarHBondContact O-N 3.31Å; L465-S469 PolarHBondContact O-N 3.16Å
466E60.7Low60.2Low113 Ų11394.7 Ų94.753%0.52851%0.513SS..Hα-helixtrans-69.2-38.8176.8-73.3-177.4-167.600111.7Q462 V468 S469 A470Q462-E466 HydrophobicContact CG-CG 4.25Å; Q462-E466 WeakPolarHBondContact CG-OE1 3.46Å; Q462-E466 PolarHBondContact NE2-OE1 3.04Å; Q462-E466 PolarHBondContact O-N 2.93Å; E466-V468 PolarHBondContact O-N 3.27Å; E466-S469 PolarHBondContact O-N 3.48Å; E466-A470 VanDerWaalsContact O-CB 3.29Å; E466-A470 WeakPolarHBondContact O-CB 3.4Å; E466-A470 PolarHBondContact O-N 3.49Å
467R62.4Low60.8Low108 Ų10894.6 Ų94.641%0.40850%0.5SS..Hα-helixtrans-54.2-49.9169.7-82.5-174.1-111.2130.7-7.4111E463 E464 S469 I471E463-R467 VanDerWaalsContact O-CB 3.28Å; E463-R467 WeakPolarHBondContact O-CB 3.41Å; E463-R467 VanDerWaalsContact O-CG 3.23Å; E463-R467 WeakPolarHBondContact O-CG 3.38Å; E463-R467 PolarHBondContact O-N 3.49Å; E463-R467 IonicContact OE2-CZ 3.01Å; E463-R467 IonicContact OE2-NE 3.74Å; E463-R467 PolarHBondContact OE2-NE 2.79Å; E463-R467 IonicContact OE2-NH2 3.22Å; E463-R467 PolarHBondContact OE2-NH2 3.46Å; E464-R467 IonicContact OE1-NH1 3.09Å; E464-R467 PolarHBondContact OE1-NH1 3.44Å; R467-S469 PolarHBondContact O-N 2.66Å; R467-I471 VanDerWaalsContact O-CB 3.24Å; R467-I471 WeakPolarHBondContact O-CB 3.5Å; R467-I471 VanDerWaalsContact O-CD1 3.3Å; R467-I471 WeakPolarHBondContact O-CD1 3.23Å; R467-I471 WeakPolarHBondContact O-CG1 3.49Å; R467-I471 PolarHBondContact O-N 2.94Å
468V56.8Low60.7Low102 Ų10298.9 Ų98.962%0.61851%0.51SS*.Hα-helixtrans-65.4-37.2-178.7171.90000112.5E464 L465 E466 K472E464-V468 WeakPolarHBondContact O-CG2 3.33Å; E464-V468 PolarHBondContact O-N 3.41Å; L465-V468 PolarHBondContact O-N 3.31Å; E466-V468 PolarHBondContact O-N 3.27Å; V468-K472 PolarHBondContact O-N 2.81Å
469S52.5Low60.7Low85 Ų8596.6 Ų96.659%0.59450%0.503SS*.Hα-helixtrans-71.6-49.6178.6-168.20000112.5L465 E466 R467 K472 S473L465-S469 PolarHBondContact O-N 3.16Å; E466-S469 PolarHBondContact O-N 3.48Å; R467-S469 PolarHBondContact O-N 2.66Å; S469-K472 PolarHBondContact O-N 3.38Å; S469-S473 PolarHBondContact O-N 3.18Å
470A61.6Low61.1Low60 Ų6096.9 Ų96.950%0.49651%0.511SS..Hα-helixtrans-64.1-43.7-179.300000111.8E466 K472 S473 D474E466-A470 VanDerWaalsContact O-CB 3.29Å; E466-A470 WeakPolarHBondContact O-CB 3.4Å; E466-A470 PolarHBondContact O-N 3.49Å; A470-K472 PolarHBondContact O-N 2.89Å; A470-S473 PolarHBondContact O-N 2.79Å; A470-D474 WeakPolarHBondContact O-CB 3.47Å; A470-D474 PolarHBondContact O-N 3.37Å; A470-D474 VanDerWaalsContact O-N 3.08Å
471I61.3Low61.6Low111 Ų11199.6 Ų99.657%0.56951%0.513SS*.Hα-helixtrans-57-38.1176.1-71.7167.6000110.8R467 L475R467-I471 VanDerWaalsContact O-CB 3.24Å; R467-I471 WeakPolarHBondContact O-CB 3.5Å; R467-I471 VanDerWaalsContact O-CD1 3.3Å; R467-I471 WeakPolarHBondContact O-CD1 3.23Å; R467-I471 WeakPolarHBondContact O-CG1 3.49Å; R467-I471 PolarHBondContact O-N 2.94Å; I471-L475 WeakPolarHBondContact O-CB 3.39Å; I471-L475 PolarHBondContact O-N 2.83Å; I471-L475 VanDerWaalsContact O-N 3.12Å
472K56.7Low61.7Low146 Ų14698.8 Ų98.864%0.63551%0.508SS*.Hα-helixtrans-70.1-45.4-178.6-167.4178178.6-175.10112.8V468 S469 A470 L475 D476V468-K472 PolarHBondContact O-N 2.81Å; S469-K472 PolarHBondContact O-N 3.38Å; A470-K472 PolarHBondContact O-N 2.89Å; K472-L475 PolarHBondContact O-N 3.34Å; K472-D476 PolarHBondContact O-N 2.81Å
473S64.4Low62.2Low85 Ų8599.8 Ų99.859%0.59452%0.515SS*.Hα-helixtrans-66.9-46.3-179.2-167.90000112.2S469 A470 L475 D476 E477S469-S473 PolarHBondContact O-N 3.18Å; A470-S473 PolarHBondContact O-N 2.79Å; S473-L475 VanDerWaalsContact C-N 3.29Å; S473-L475 PolarHBondContact O-N 3.25Å; S473-D476 PolarHBondContact O-N 3Å; S473-E477 PolarHBondContact O-N 2.9Å
474D63Low62.7Low81 Ų81100.4 Ų100.443%0.43352%0.522SS..Hα-helixtrans-63.1-37.2178-106.631.5000111.9A470 K478A470-D474 WeakPolarHBondContact O-CB 3.47Å; A470-D474 PolarHBondContact O-N 3.37Å; A470-D474 VanDerWaalsContact O-N 3.08Å; D474-K478 HydrophobicContact CB-CD 4.45Å; D474-K478 WeakPolarHBondContact O-CB 3.34Å; D474-K478 WeakPolarHBondContact O-CD 3.48Å; D474-K478 WeakPolarHBondContact O-CG 3.35Å; D474-K478 PolarHBondContact O-N 3.32Å; D474-K478 WeakPolarHBondContact OD2-CE 3.48Å; D474-K478 IonicContact OD2-NZ 3.98Å; D474-K478 PolarHBondContact OD2-NZ 3.36Å
475L64.2Low63.3Low86 Ų86100.1 Ų100.145%0.4552%0.524SS..Hα-helixtrans-66.5-39.3-178.2-17477.3000111.7I471 K472 S473 K479I471-L475 WeakPolarHBondContact O-CB 3.39Å; I471-L475 PolarHBondContact O-N 2.83Å; I471-L475 VanDerWaalsContact O-N 3.12Å; K472-L475 PolarHBondContact O-N 3.34Å; S473-L475 VanDerWaalsContact C-N 3.29Å; S473-L475 PolarHBondContact O-N 3.25Å; L475-K479 VanDerWaalsContact CD2-NZ 3.34Å; L475-K479 HydrophobicContact CG-CD 4.35Å; L475-K479 VanDerWaalsContact O-CB 3.25Å; L475-K479 WeakPolarHBondContact O-CB 3.49Å; L475-K479 WeakPolarHBondContact O-CD 3.41Å; L475-K479 WeakPolarHBondContact O-CG 3.47Å; L475-K479 PolarHBondContact O-N 3.38Å
476D64.2Low63.9Low84 Ų8498.5 Ų98.545%0.44951%0.514SS..Hα-helixtrans-78.4-35.8-177.4-70.3-18.9000112.7K472 S473 K479 G480K472-D476 PolarHBondContact O-N 2.81Å; S473-D476 PolarHBondContact O-N 3Å; D476-K479 PolarHBondContact O-N 2.96Å; D476-K479 IonicContact OD1-NZ 2.78Å; D476-K479 PolarHBondContact OD1-NZ 3.23Å; D476-G480 PolarHBondContact O-N 3.49Å; D476-G480 VanDerWaalsContact O-N 3.1Å
477E69.1Low64.6Low107 Ų10795.8 Ų95.850%0.551%0.508SS..Hα-helixtrans-71.1-40.2172.4-166.9177.1-169.100112S473 G480 R481S473-E477 PolarHBondContact O-N 2.9Å; E477-G480 PolarHBondContact O-N 2.97Å; E477-R481 PolarHBondContact O-N 2.91Å; E477-R481 IonicContact OE1-CZ 3.44Å; E477-R481 IonicContact OE1-NE 3.49Å; E477-R481 PolarHBondContact OE1-NE 2.97Å; E477-R481 IonicContact OE1-NH2 2.66Å; E477-R481 PolarHBondContact OE1-NH2 2.94Å
478K60.8Low65.4Low120 Ų12095.8 Ų95.852%0.52251%0.512SS..Hα-helixtrans-64.8-39.2173.6-72.7167.2179.1164.30111.3D474 G480 T482D474-K478 HydrophobicContact CB-CD 4.45Å; D474-K478 WeakPolarHBondContact O-CB 3.34Å; D474-K478 WeakPolarHBondContact O-CD 3.48Å; D474-K478 WeakPolarHBondContact O-CG 3.35Å; D474-K478 PolarHBondContact O-N 3.32Å; D474-K478 WeakPolarHBondContact OD2-CE 3.48Å; D474-K478 IonicContact OD2-NZ 3.98Å; D474-K478 PolarHBondContact OD2-NZ 3.36Å; K478-G480 VanDerWaalsContact C-N 3.35Å; K478-G480 PolarHBondContact O-N 3.08Å; K478-T482 VanDerWaalsContact O-CB 3.25Å; K478-T482 WeakPolarHBondContact O-CB 3.45Å; K478-T482 VanDerWaalsContact O-CG2 3.25Å; K478-T482 WeakPolarHBondContact O-CG2 3.34Å; K478-T482 PolarHBondContact O-N 2.66Å; K478-T482 PolarHBondContact O-OG1 3.39Å
479K61.1Low66.3Low93 Ų9396.4 Ų96.440%0.40451%0.51SS..Hα-helixtrans-58.2-44.6172.3-83.5167.8-170.5155.30111.7L475 D476 T482 L483L475-K479 VanDerWaalsContact CD2-NZ 3.34Å; L475-K479 HydrophobicContact CG-CD 4.35Å; L475-K479 VanDerWaalsContact O-CB 3.25Å; L475-K479 WeakPolarHBondContact O-CB 3.49Å; L475-K479 WeakPolarHBondContact O-CD 3.41Å; L475-K479 WeakPolarHBondContact O-CG 3.47Å; L475-K479 PolarHBondContact O-N 3.38Å; D476-K479 PolarHBondContact O-N 2.96Å; D476-K479 IonicContact OD1-NZ 2.78Å; D476-K479 PolarHBondContact OD1-NZ 3.23Å; K479-T482 WeakPolarHBondContact CA-OG1 3.29Å; K479-T482 PolarHBondContact O-OG1 2.89Å; K479-L483 WeakPolarHBondContact O-CB 3.49Å; K479-L483 WeakPolarHBondContact O-CD1 3.29Å; K479-L483 WeakPolarHBondContact O-CG 3.45Å; K479-L483 PolarHBondContact O-N 2.96Å
480G68.1Low67.6Low36 Ų3696 Ų9637%0.37150%0.503SS..Hα-helixtrans-58.8-57.8179.600000112.1D476 E477 K478 T482 L483 D484D476-G480 PolarHBondContact O-N 3.49Å; D476-G480 VanDerWaalsContact O-N 3.1Å; E477-G480 PolarHBondContact O-N 2.97Å; K478-G480 VanDerWaalsContact C-N 3.35Å; K478-G480 PolarHBondContact O-N 3.08Å; G480-T482 PolarHBondContact O-N 3.37Å; G480-L483 PolarHBondContact O-N 3.16Å; G480-D484 PolarHBondContact O-N 3.17Å
481R69.5Low68.5Low164 Ų164100.4 Ų100.462%0.61951%0.511SS*.Hα-helixtrans-66.3-38.8-178.8-57.2-175.4-167.3-158.85.5112.6E477 D484 D485E477-R481 PolarHBondContact O-N 2.91Å; E477-R481 IonicContact OE1-CZ 3.44Å; E477-R481 IonicContact OE1-NE 3.49Å; E477-R481 PolarHBondContact OE1-NE 2.97Å; E477-R481 IonicContact OE1-NH2 2.66Å; E477-R481 PolarHBondContact OE1-NH2 2.94Å; R481-D484 PolarHBondContact O-N 2.95Å; R481-D485 WeakPolarHBondContact O-CB 3.42Å; R481-D485 PolarHBondContact O-N 3.4Å
482T62.9Low69.5Low65 Ų65100.6 Ų100.640%0.39951%0.508SS..Hα-helixtrans-69.2-30.6174.957.90000112.5K478 K479 G480 M486K478-T482 VanDerWaalsContact O-CB 3.25Å; K478-T482 WeakPolarHBondContact O-CB 3.45Å; K478-T482 VanDerWaalsContact O-CG2 3.25Å; K478-T482 WeakPolarHBondContact O-CG2 3.34Å; K478-T482 PolarHBondContact O-N 2.66Å; K478-T482 PolarHBondContact O-OG1 3.39Å; K479-T482 WeakPolarHBondContact CA-OG1 3.29Å; K479-T482 PolarHBondContact O-OG1 2.89Å; G480-T482 PolarHBondContact O-N 3.37Å; T482-M486 WeakPolarHBondContact O-CA 3.28Å; T482-M486 WeakPolarHBondContact O-CB 3.29Å; T482-M486 WeakPolarHBondContact O-CE 3.36Å; T482-M486 WeakPolarHBondContact O-CG 3.43Å; T482-M486 PolarHBondContact O-N 2.81Å
483L68.7Low70.5Confident100 Ų10097.4 Ų97.452%0.52450%0.498SS..Hα-helixtrans-65.6-38.8175.9-84164.6000112.2K479 G480 M486 S487K479-L483 WeakPolarHBondContact O-CB 3.49Å; K479-L483 WeakPolarHBondContact O-CD1 3.29Å; K479-L483 WeakPolarHBondContact O-CG 3.45Å; K479-L483 PolarHBondContact O-N 2.96Å; G480-L483 PolarHBondContact O-N 3.16Å; L483-M486 HydrophobicContact CD2-CE 4.16Å; L483-M486 HydrophobicContact CG-CE 4.41Å; L483-S487 WeakPolarHBondContact O-CB 3.15Å; L483-S487 PolarHBondContact O-N 2.8Å; L483-S487 PolarHBondContact O-OG 3.27Å
484D71.8Confident71.4Confident117 Ų11797.6 Ų97.663%0.62649%0.492SS*.Hα-helixtrans-73.4-47.1176.3-73.1-31.8000112G480 R481 M486 S487 E488G480-D484 PolarHBondContact O-N 3.17Å; R481-D484 PolarHBondContact O-N 2.95Å; D484-M486 PolarHBondContact O-N 3.46Å; D484-S487 WeakPolarHBondContact O-CB 3.49Å; D484-S487 PolarHBondContact O-N 3.09Å; D484-E488 PolarHBondContact O-N 3.23Å
485D72.1Confident72.5Confident110 Ų11096.6 Ų96.659%0.58849%0.492SS*.Hα-helixtrans-63.7-40.4176.3-78.3-26.5000112R481 S487 M489R481-D485 WeakPolarHBondContact O-CB 3.42Å; R481-D485 PolarHBondContact O-N 3.4Å; D485-S487 VanDerWaalsContact C-N 3.34Å; D485-M489 WeakPolarHBondContact O-CB 3.39Å; D485-M489 PolarHBondContact O-N 3.04Å
486M70Confident73.4Confident95 Ų9597.1 Ų97.147%0.46849%0.493SS..Hα-helixtrans-66.1-35.5171.2-72.3-173.9-56.200111.1T482 L483 D484 M489 V490T482-M486 WeakPolarHBondContact O-CA 3.28Å; T482-M486 WeakPolarHBondContact O-CB 3.29Å; T482-M486 WeakPolarHBondContact O-CE 3.36Å; T482-M486 WeakPolarHBondContact O-CG 3.43Å; T482-M486 PolarHBondContact O-N 2.81Å; L483-M486 HydrophobicContact CD2-CE 4.16Å; L483-M486 HydrophobicContact CG-CE 4.41Å; D484-M486 PolarHBondContact O-N 3.46Å; M486-M489 PolarHBondContact O-N 3.4Å; M486-V490 WeakPolarHBondContact O-CA 3.43Å; M486-V490 WeakPolarHBondContact O-CB 3.41Å; M486-V490 WeakPolarHBondContact O-CG2 3.42Å; M486-V490 PolarHBondContact O-N 2.85Å
487S75.6Confident74.2Confident56 Ų5697.5 Ų97.539%0.39249%0.494SS..Hα-helixtrans-67.8-39.9177.3-69.70000112.1L483 D484 D485 K491L483-S487 WeakPolarHBondContact O-CB 3.15Å; L483-S487 PolarHBondContact O-N 2.8Å; L483-S487 PolarHBondContact O-OG 3.27Å; D484-S487 WeakPolarHBondContact O-CB 3.49Å; D484-S487 PolarHBondContact O-N 3.09Å; D485-S487 VanDerWaalsContact C-N 3.34Å; S487-K491 WeakPolarHBondContact O-CB 3.48Å; S487-K491 VanDerWaalsContact O-CG 3.27Å; S487-K491 WeakPolarHBondContact O-CG 3.39Å; S487-K491 PolarHBondContact O-N 2.86Å
488E79.1Confident75.1Confident108 Ų10897 Ų9751%0.50550%0.498SS..Hα-helixtrans-65.7-45.3169.6-83.6-139.2167.400112.2D484 V490 K491 K492D484-E488 PolarHBondContact O-N 3.23Å; E488-V490 VanDerWaalsContact C-N 3.34Å; E488-V490 PolarHBondContact O-N 2.96Å; E488-K491 PolarHBondContact O-N 3.09Å; E488-K492 WeakPolarHBondContact O-CG 3.3Å; E488-K492 PolarHBondContact O-N 2.93Å; E488-K492 WeakPolarHBondContact OE2-CE 3.36Å; E488-K492 IonicContact OE2-NZ 2.66Å; E488-K492 PolarHBondContact OE2-NZ 2.86Å
489M75.8Confident76.3Confident116 Ų11697.2 Ų97.257%0.57150%0.501SS*.Hα-helixtrans-64.9-38.6180-167.8-178.2-61.300111.4D485 M486 K492 L493D485-M489 WeakPolarHBondContact O-CB 3.39Å; D485-M489 PolarHBondContact O-N 3.04Å; M486-M489 PolarHBondContact O-N 3.4Å; M489-K492 PolarHBondContact O-N 2.93Å; M489-L493 HydrophobicContact CG-CD1 3.95Å; M489-L493 HydrophobicContact CG-CG 4.38Å; M489-L493 WeakPolarHBondContact O-CB 3.3Å; M489-L493 VanDerWaalsContact O-CG 3.24Å; M489-L493 WeakPolarHBondContact O-CG 3.29Å; M489-L493 PolarHBondContact O-N 3.12Å
490V80Confident77.4Confident75 Ų7599.4 Ų99.446%0.45551%0.51SS..Hα-helixtrans-67.9-36.9173.9166.90000111M486 E488 N494M486-V490 WeakPolarHBondContact O-CA 3.43Å; M486-V490 WeakPolarHBondContact O-CB 3.41Å; M486-V490 WeakPolarHBondContact O-CG2 3.42Å; M486-V490 PolarHBondContact O-N 2.85Å; E488-V490 VanDerWaalsContact C-N 3.34Å; E488-V490 PolarHBondContact O-N 2.96Å; V490-N494 WeakPolarHBondContact CG1-ND2 3.45Å; V490-N494 WeakPolarHBondContact O-CB 3.34Å; V490-N494 VanDerWaalsContact O-CG 3.25Å; V490-N494 PolarHBondContact O-N 3.49Å; V490-N494 PolarHBondContact O-ND2 3.33Å; V490-N494 VanDerWaalsContact O-ND2 3.08Å
491K80.3Confident78.2Confident153 Ų153105.1 Ų105.167%0.66553%0.525SS*.Hα-helixtrans-63.5-47.6171.4-76.9169.4-1771720111.7S487 E488 N494 S495S487-K491 WeakPolarHBondContact O-CB 3.48Å; S487-K491 VanDerWaalsContact O-CG 3.27Å; S487-K491 WeakPolarHBondContact O-CG 3.39Å; S487-K491 PolarHBondContact O-N 2.86Å; E488-K491 PolarHBondContact O-N 3.09Å; K491-N494 PolarHBondContact O-N 3.46Å; K491-S495 PolarHBondContact O-N 2.63Å; K491-S495 PolarHBondContact O-OG 3.06Å
492K81.4Confident78.9Confident115 Ų115101 Ų10150%0.552%0.521SS..Hα-helixtrans-67.8-36.4178.5-68.4167.7-170.5163.30112.6E488 M489 S495 M496E488-K492 WeakPolarHBondContact O-CG 3.3Å; E488-K492 PolarHBondContact O-N 2.93Å; E488-K492 WeakPolarHBondContact OE2-CE 3.36Å; E488-K492 IonicContact OE2-NZ 2.66Å; E488-K492 PolarHBondContact OE2-NZ 2.86Å; M489-K492 PolarHBondContact O-N 2.93Å; K492-S495 PolarHBondContact O-OG 3.2Å; K492-M496 WeakPolarHBondContact O-CB 3.26Å; K492-M496 WeakPolarHBondContact O-CE 3.47Å; K492-M496 WeakPolarHBondContact O-CG 3.38Å; K492-M496 PolarHBondContact O-N 3.5Å
493L78.8Confident79.8Confident80 Ų80100.6 Ų100.642%0.41952%0.524SS..Hα-helixtrans-68-44.4172.1-79.3167.7000110.8M489 S495 M496 I497M489-L493 HydrophobicContact CG-CD1 3.95Å; M489-L493 HydrophobicContact CG-CG 4.38Å; M489-L493 WeakPolarHBondContact O-CB 3.3Å; M489-L493 VanDerWaalsContact O-CG 3.24Å; M489-L493 WeakPolarHBondContact O-CG 3.29Å; M489-L493 PolarHBondContact O-N 3.12Å; L493-S495 PolarHBondContact O-N 2.73Å; L493-M496 HydrophobicContact CD2-CE 4.25Å; L493-M496 PolarHBondContact O-N 2.98Å; L493-I497 HydrophobicContact CB-CD1 4.45Å; L493-I497 VanDerWaalsContact O-CB 3.25Å; L493-I497 WeakPolarHBondContact O-CB 3.4Å; L493-I497 WeakPolarHBondContact O-CD1 3.25Å; L493-I497 WeakPolarHBondContact O-CG1 3.32Å; L493-I497 PolarHBondContact O-N 2.92Å
494N83.6Confident80.6Confident88 Ų88100 Ų10047%0.47152%0.521SS..Hα-helixtrans-64.2-39.6177.4-80.7-38.1000112.2V490 K491 I497 V498V490-N494 WeakPolarHBondContact CG1-ND2 3.45Å; V490-N494 WeakPolarHBondContact O-CB 3.34Å; V490-N494 VanDerWaalsContact O-CG 3.25Å; V490-N494 PolarHBondContact O-N 3.49Å; V490-N494 PolarHBondContact O-ND2 3.33Å; V490-N494 VanDerWaalsContact O-ND2 3.08Å; K491-N494 PolarHBondContact O-N 3.46Å; N494-I497 PolarHBondContact O-N 3.39Å; N494-V498 WeakPolarHBondContact O-CB 3.4Å; N494-V498 VanDerWaalsContact O-CG2 3.28Å; N494-V498 WeakPolarHBondContact O-CG2 3.46Å; N494-V498 PolarHBondContact O-N 3.33Å
495S85.5Confident81.3Confident61 Ų6197 Ų9743%0.42751%0.513SS..Hα-helixtrans-64.2-47.9174.164.90000111.6K491 K492 L493 I497 V498 E499K491-S495 PolarHBondContact O-N 2.63Å; K491-S495 PolarHBondContact O-OG 3.06Å; K492-S495 PolarHBondContact O-OG 3.2Å; L493-S495 PolarHBondContact O-N 2.73Å; S495-I497 VanDerWaalsContact C-N 3.33Å; S495-I497 PolarHBondContact O-N 3.36Å; S495-V498 PolarHBondContact O-N 3.35Å; S495-E499 WeakPolarHBondContact O-CG 3.41Å; S495-E499 PolarHBondContact O-N 2.95Å
496M83.6Confident82.1Confident96 Ų9695 Ų9547%0.47351%0.506SS..Hα-helixtrans-61.3-37.7174.5-76.5-168.7-72.700112.9K492 L493 E499 K500K492-M496 WeakPolarHBondContact O-CB 3.26Å; K492-M496 WeakPolarHBondContact O-CE 3.47Å; K492-M496 WeakPolarHBondContact O-CG 3.38Å; K492-M496 PolarHBondContact O-N 3.5Å; L493-M496 HydrophobicContact CD2-CE 4.25Å; L493-M496 PolarHBondContact O-N 2.98Å; M496-E499 PolarHBondContact O-N 3.42Å; M496-K500 WeakPolarHBondContact O-CB 3.31Å; M496-K500 VanDerWaalsContact O-CG 3.22Å; M496-K500 WeakPolarHBondContact O-CG 3.49Å; M496-K500 PolarHBondContact O-N 2.92Å
497I80.4Confident82.8Confident92 Ų9295 Ų9547%0.47251%0.507SS..Hα-helixtrans-64.7-42.8175.7-74.6163.2000109.9L493 N494 S495 K501L493-I497 HydrophobicContact CB-CD1 4.45Å; L493-I497 VanDerWaalsContact O-CB 3.25Å; L493-I497 WeakPolarHBondContact O-CB 3.4Å; L493-I497 WeakPolarHBondContact O-CD1 3.25Å; L493-I497 WeakPolarHBondContact O-CG1 3.32Å; L493-I497 PolarHBondContact O-N 2.92Å; N494-I497 PolarHBondContact O-N 3.39Å; S495-I497 VanDerWaalsContact C-N 3.33Å; S495-I497 PolarHBondContact O-N 3.36Å; I497-K501 WeakPolarHBondContact O-CB 3.48Å; I497-K501 PolarHBondContact O-N 3.08Å
498V87.3Confident83.3Confident96 Ų9696.6 Ų96.658%0.58251%0.51SS*.Hα-helixtrans-64.3-45.3176.61690000111.2N494 S495 K501 S502N494-V498 WeakPolarHBondContact O-CB 3.4Å; N494-V498 VanDerWaalsContact O-CG2 3.28Å; N494-V498 WeakPolarHBondContact O-CG2 3.46Å; N494-V498 PolarHBondContact O-N 3.33Å; S495-V498 PolarHBondContact O-N 3.35Å; V498-K501 PolarHBondContact O-N 3.29Å; V498-S502 PolarHBondContact O-N 3.38Å; V498-S502 PolarHBondContact O-OG 3.31Å
499E86.9Confident83.8Confident125 Ų12599 Ų9958%0.58452%0.518SS*.Hα-helixtrans-63.5-43.8175.7-72.7179.3172.300112.9S495 M496 K501 S502 A503S495-E499 WeakPolarHBondContact O-CG 3.41Å; S495-E499 PolarHBondContact O-N 2.95Å; M496-E499 PolarHBondContact O-N 3.42Å; E499-K501 VanDerWaalsContact C-N 3.32Å; E499-K501 PolarHBondContact O-N 3.4Å; E499-S502 PolarHBondContact O-N 2.89Å; E499-S502 PolarHBondContact O-OG 2.97Å; E499-A503 WeakPolarHBondContact O-CB 3.44Å; E499-A503 PolarHBondContact O-N 3.42Å
500K84.6Confident84.4Confident140 Ų14099.2 Ų99.261%0.60952%0.518SS*.Hα-helixtrans-68-34.8176-67.4-63.4178.1-170.70111.3M496 L504M496-K500 WeakPolarHBondContact O-CB 3.31Å; M496-K500 VanDerWaalsContact O-CG 3.22Å; M496-K500 WeakPolarHBondContact O-CG 3.49Å; M496-K500 PolarHBondContact O-N 2.92Å; K500-L504 WeakPolarHBondContact O-CB 3.31Å; K500-L504 WeakPolarHBondContact O-CD1 3.28Å; K500-L504 WeakPolarHBondContact O-CG 3.4Å; K500-L504 PolarHBondContact O-N 3Å
501K83.6Confident84.7Confident156 Ų15699.5 Ų99.568%0.67852%0.517SS*.Hα-helixtrans-69.9-37.5176.6-169.6175.6-175.8-1790111.8I497 V498 E499 A505I497-K501 WeakPolarHBondContact O-CB 3.48Å; I497-K501 PolarHBondContact O-N 3.08Å; V498-K501 PolarHBondContact O-N 3.29Å; E499-K501 VanDerWaalsContact C-N 3.32Å; E499-K501 PolarHBondContact O-N 3.4Å; K501-A505 WeakPolarHBondContact O-CB 3.46Å; K501-A505 PolarHBondContact O-N 3.5Å
502S84.1Confident85.2Confident78 Ų78101.1 Ų101.155%0.54552%0.519SS..Hα-helixtrans-70.5-39.6173.766.80000112.2V498 E499 P506V498-S502 PolarHBondContact O-N 3.38Å; V498-S502 PolarHBondContact O-OG 3.31Å; E499-S502 PolarHBondContact O-N 2.89Å; E499-S502 PolarHBondContact O-OG 2.97Å; S502-P506 WeakPolarHBondContact O-CD 3.35Å
503A83.6Confident85.7Confident55 Ų5598.9 Ų98.946%0.45552%0.517SS..Hα-helixtrans-69.3-34.917500000113.6E499 P506E499-A503 WeakPolarHBondContact O-CB 3.44Å; E499-A503 PolarHBondContact O-N 3.42Å; A503-P506 WeakPolarHBondContact O-CD 3.4Å; A503-P506 WeakPolarHBondContact O-CG 3.46Å
504L85.2Confident86.2Confident89 Ų89100.5 Ų100.547%0.46653%0.526SS..Hα-helixtrans-79.2-26.5177.3-75166.7000113.3K500 I507 I508K500-L504 WeakPolarHBondContact O-CB 3.31Å; K500-L504 WeakPolarHBondContact O-CD1 3.28Å; K500-L504 WeakPolarHBondContact O-CG 3.4Å; K500-L504 PolarHBondContact O-N 3Å; L504-I507 PolarHBondContact O-N 3.4Å; L504-I508 HydrophobicContact CB-CD1 4.03Å; L504-I508 WeakPolarHBondContact O-CB 3.5Å; L504-I508 VanDerWaalsContact O-CG1 3.26Å; L504-I508 WeakPolarHBondContact O-CG1 3.35Å; L504-I508 PolarHBondContact O-N 3.05Å
505A86.2Confident86.6Confident54 Ų54104.4 Ų104.445%0.44653%0.534SS..Hα-helixtrans-52.8-49.4179.900000114.9K501 I508 K509K501-A505 WeakPolarHBondContact O-CB 3.46Å; K501-A505 PolarHBondContact O-N 3.5Å; A505-I508 PolarHBondContact O-N 2.94Å; A505-K509 WeakPolarHBondContact O-CB 3.49Å; A505-K509 PolarHBondContact O-N 2.82Å
506P88.6Confident86.9Confident68 Ų68107.2 Ų107.244%0.44254%0.541SS..Hα-helixtrans-65-43.8176.424.4-33.1000111.9S502 A503 I508 K509 E510S502-P506 WeakPolarHBondContact O-CD 3.35Å; A503-P506 WeakPolarHBondContact O-CD 3.4Å; A503-P506 WeakPolarHBondContact O-CG 3.46Å; P506-I508 VanDerWaalsContact C-N 3.32Å; P506-I508 PolarHBondContact O-N 3.27Å; P506-K509 WeakPolarHBondContact O-CA 3.41Å; P506-K509 WeakPolarHBondContact O-CB 3.33Å; P506-K509 PolarHBondContact O-N 3.5Å; P506-E510 PolarHBondContact O-N 3.16Å
507I84.3Confident87.4Confident94 Ų94111.4 Ų111.448%0.48255%0.551SS.*Hα-helixtrans-61.1-41179-57.8174.3000110.8L504 K509 E510 L511L504-I507 PolarHBondContact O-N 3.4Å; I507-K509 VanDerWaalsContact C-N 3.32Å; I507-K509 PolarHBondContact O-N 2.78Å; I507-E510 PolarHBondContact O-N 2.93Å; I507-L511 WeakPolarHBondContact O-CB 3.21Å; I507-L511 PolarHBondContact O-N 2.96Å
508I85.7Confident87.8Confident89 Ų89115.8 Ų115.846%0.45656%0.562SS.*Hα-helixtrans-66.3-34.6175.5-69.8166.5000111.2L504 A505 P506 R512L504-I508 HydrophobicContact CB-CD1 4.03Å; L504-I508 WeakPolarHBondContact O-CB 3.5Å; L504-I508 VanDerWaalsContact O-CG1 3.26Å; L504-I508 WeakPolarHBondContact O-CG1 3.35Å; L504-I508 PolarHBondContact O-N 3.05Å; A505-I508 PolarHBondContact O-N 2.94Å; P506-I508 VanDerWaalsContact C-N 3.32Å; P506-I508 PolarHBondContact O-N 3.27Å; I508-R512 WeakPolarHBondContact O-CB 3.33Å; I508-R512 WeakPolarHBondContact O-CG 3.49Å; I508-R512 PolarHBondContact O-N 3.41Å
509K89.3Confident88.1Confident159 Ų159115.9 Ų115.969%0.69156%0.562SS**Hα-helixtrans-69.6-44.7177.2-165.4178.8-178.8-176.10111.5A505 P506 I507 R512 S513A505-K509 WeakPolarHBondContact O-CB 3.49Å; A505-K509 PolarHBondContact O-N 2.82Å; P506-K509 WeakPolarHBondContact O-CA 3.41Å; P506-K509 WeakPolarHBondContact O-CB 3.33Å; P506-K509 PolarHBondContact O-N 3.5Å; I507-K509 VanDerWaalsContact C-N 3.32Å; I507-K509 PolarHBondContact O-N 2.78Å; K509-R512 PolarHBondContact O-N 3.35Å; K509-S513 PolarHBondContact O-N 3.49Å
510E88.8Confident88.5Confident120 Ų120114.2 Ų114.256%0.56156%0.555SS**Hα-helixtrans-62.2-43.5171.6-70.5175.3-179.500111.7P506 I507 R512 S513 L514P506-E510 PolarHBondContact O-N 3.16Å; I507-E510 PolarHBondContact O-N 2.93Å; E510-R512 VanDerWaalsContact C-N 3.28Å; E510-R512 PolarHBondContact O-N 3.21Å; E510-S513 PolarHBondContact O-N 2.82Å; E510-S513 PolarHBondContact O-OG 3.34Å; E510-L514 WeakPolarHBondContact O-CB 3.25Å; E510-L514 WeakPolarHBondContact O-CG 3.41Å; E510-L514 PolarHBondContact O-N 2.94Å
511L87.1Confident88.9Confident82 Ų82113 Ų11343%0.42955%0.554SS.*Hα-helixtrans-68.4-28.3179.2-162.6122.5000112.2I507 R515I507-L511 WeakPolarHBondContact O-CB 3.21Å; I507-L511 PolarHBondContact O-N 2.96Å; L511-R515 WeakPolarHBondContact O-CB 3.37Å; L511-R515 WeakPolarHBondContact O-CG 3.4Å; L511-R515 PolarHBondContact O-N 3.08Å; L511-R515 VanDerWaalsContact O-N 3.08Å
512R91.4Very high89.4Confident186 Ų186109.8 Ų109.870%0.70254%0.544SS*.Hα-helixtrans-68-47.7167.6-82.5-177.6176.7-172-0.7111.7I508 K509 E510 L514 R515 Q516I508-R512 WeakPolarHBondContact O-CB 3.33Å; I508-R512 WeakPolarHBondContact O-CG 3.49Å; I508-R512 PolarHBondContact O-N 3.41Å; K509-R512 PolarHBondContact O-N 3.35Å; E510-R512 VanDerWaalsContact C-N 3.28Å; E510-R512 PolarHBondContact O-N 3.21Å; R512-L514 PolarHBondContact O-N 3.42Å; R512-R515 PolarHBondContact O-N 2.93Å; R512-Q516 WeakPolarHBondContact O-CB 3.33Å; R512-Q516 PolarHBondContact O-N 3.36Å
513S91.3Very high89.9Confident68 Ų68111.5 Ų111.548%0.47654%0.543SS..Hα-helixtrans-65.2-38.1179.666.20000112.3K509 E510 Q516 R517K509-S513 PolarHBondContact O-N 3.49Å; E510-S513 PolarHBondContact O-N 2.82Å; E510-S513 PolarHBondContact O-OG 3.34Å; S513-Q516 PolarHBondContact O-N 2.93Å; S513-R517 WeakPolarHBondContact O-CB 3.35Å; S513-R517 PolarHBondContact O-N 2.84Å
514L88.3Confident90.4Very high115 Ų115113.8 Ų113.860%0.60255%0.545SS*.Hα-helixtrans-67-37173.5-71.4171.6000112.8E510 R512 R518E510-L514 WeakPolarHBondContact O-CB 3.25Å; E510-L514 WeakPolarHBondContact O-CG 3.41Å; E510-L514 PolarHBondContact O-N 2.94Å; R512-L514 PolarHBondContact O-N 3.42Å; L514-R518 WeakPolarHBondContact O-CB 3.41Å; L514-R518 PolarHBondContact O-N 2.88Å
515R92.1Very high90.9Very high169 Ų169116.2 Ų116.264%0.63855%0.549SS*.Hα-helixtrans-64.6-44.2172.2-80.1173.8-176.8-160.23.2111.6L511 R512 R518 V519L511-R515 WeakPolarHBondContact O-CB 3.37Å; L511-R515 WeakPolarHBondContact O-CG 3.4Å; L511-R515 PolarHBondContact O-N 3.08Å; L511-R515 VanDerWaalsContact O-N 3.08Å; R512-R515 PolarHBondContact O-N 2.93Å; R515-R518 PolarHBondContact O-N 3.19Å; R515-V519 WeakPolarHBondContact O-CG2 3.46Å; R515-V519 PolarHBondContact O-N 3.41Å
516Q93.5Very high91.3Very high121 Ų121117.8 Ų117.857%0.56555%0.547SS*.Hα-helixtrans-62.9-49.4177.9179.7169.8-10.900111.1R512 S513 R518 V519 E520R512-Q516 WeakPolarHBondContact O-CB 3.33Å; R512-Q516 PolarHBondContact O-N 3.36Å; S513-Q516 PolarHBondContact O-N 2.93Å; Q516-R518 VanDerWaalsContact C-N 3.25Å; Q516-R518 PolarHBondContact O-N 3.43Å; Q516-V519 WeakPolarHBondContact O-CA 3.22Å; Q516-V519 WeakPolarHBondContact O-CB 3.39Å; Q516-V519 PolarHBondContact O-N 3.18Å; Q516-E520 VanDerWaalsContact CG-OE1 3.23Å; Q516-E520 WeakPolarHBondContact CG-OE1 3.39Å; Q516-E520 PolarHBondContact NE2-OE1 3.46Å; Q516-E520 WeakPolarHBondContact O-CG 3.28Å; Q516-E520 PolarHBondContact O-N 2.96Å
517R92.4Very high91.6Very high184 Ų184119.2 Ų119.269%0.69455%0.548SS*.Hα-helixtrans-61.2-32175.8-164.3171.8-169.81604.7113.2S513 L521S513-R517 WeakPolarHBondContact O-CB 3.35Å; S513-R517 PolarHBondContact O-N 2.84Å; R517-L521 VanDerWaalsContact O-CB 3.28Å; R517-L521 WeakPolarHBondContact O-CB 3.28Å; R517-L521 PolarHBondContact O-N 3.24Å
518R90.1Very high92.1Very high184 Ų184121.2 Ų121.269%0.69455%0.553SS**Hα-helixtrans-66.3-42.7171-179.1-176.9173.5-159.6-3.7111.5L514 R515 Q516 N522L514-R518 WeakPolarHBondContact O-CB 3.41Å; L514-R518 PolarHBondContact O-N 2.88Å; R515-R518 PolarHBondContact O-N 3.19Å; Q516-R518 VanDerWaalsContact C-N 3.25Å; Q516-R518 PolarHBondContact O-N 3.43Å; R518-N522 WeakPolarHBondContact O-CB 3.42Å; R518-N522 PolarHBondContact O-N 2.81Å
519V93.8Very high92.6Very high97 Ų97120.2 Ų120.259%0.58855%0.545SS*.Hα-helixtrans-63.9-47.1177.9170.70000110.5R515 Q516 L521 N522 Q523R515-V519 WeakPolarHBondContact O-CG2 3.46Å; R515-V519 PolarHBondContact O-N 3.41Å; Q516-V519 WeakPolarHBondContact O-CA 3.22Å; Q516-V519 WeakPolarHBondContact O-CB 3.39Å; Q516-V519 PolarHBondContact O-N 3.18Å; V519-L521 PolarHBondContact O-N 2.95Å; V519-N522 PolarHBondContact O-N 2.9Å; V519-Q523 PolarHBondContact O-N 2.92Å
520E94.9Very high92.9Very high91 Ų91115.2 Ų115.243%0.42553%0.534SS..Hα-helixtrans-56.6-50175.5-68.8160.8-178.700111.3Q516 N522 Q523 E524Q516-E520 VanDerWaalsContact CG-OE1 3.23Å; Q516-E520 WeakPolarHBondContact CG-OE1 3.39Å; Q516-E520 PolarHBondContact NE2-OE1 3.46Å; Q516-E520 WeakPolarHBondContact O-CG 3.28Å; Q516-E520 PolarHBondContact O-N 2.96Å; E520-N522 VanDerWaalsContact C-N 3.33Å; E520-N522 PolarHBondContact O-N 2.79Å; E520-Q523 PolarHBondContact O-N 3.36Å; E520-E524 PolarHBondContact O-N 3.37Å
521L93Very high93.1Very high115 Ų115115.5 Ų115.560%0.60254%0.535SS*.Hα-helixtrans-64.5-34.5178.2-163.379.9000113R517 V519 Q523 Y525R517-L521 VanDerWaalsContact O-CB 3.28Å; R517-L521 WeakPolarHBondContact O-CB 3.28Å; R517-L521 PolarHBondContact O-N 3.24Å; V519-L521 PolarHBondContact O-N 2.95Å; L521-Q523 VanDerWaalsContact C-N 3.34Å; L521-Y525 VanDerWaalsContact O-CB 3.31Å; L521-Y525 WeakPolarHBondContact O-CB 3.42Å; L521-Y525 PolarHBondContact O-N 3.05Å
522N93.2Very high93.5Very high87 Ų87119.6 Ų119.647%0.46555%0.546SS..Hα-helixtrans-69.6-35176.3-131.676.7000111.2R518 V519 E520 E526R518-N522 WeakPolarHBondContact O-CB 3.42Å; R518-N522 PolarHBondContact O-N 2.81Å; V519-N522 PolarHBondContact O-N 2.9Å; E520-N522 VanDerWaalsContact C-N 3.33Å; E520-N522 PolarHBondContact O-N 2.79Å; N522-E526 PolarHBondContact O-N 2.87Å
523Q95.3Very high93.6Very high114 Ų114115.8 Ų115.853%0.53354%0.536SS..Hα-helixtrans-68.6-49.2174.9-177.7175.2-14.800111.1V519 E520 L521 Y525 E526 E527V519-Q523 PolarHBondContact O-N 2.92Å; E520-Q523 PolarHBondContact O-N 3.36Å; L521-Q523 VanDerWaalsContact C-N 3.34Å; Q523-Y525 PolarHBondContact O-N 3.2Å; Q523-E526 PolarHBondContact O-N 3.46Å; Q523-E527 HydrophobicContact CG-CG 4.45Å; Q523-E527 VanDerWaalsContact CG-OE1 3.29Å; Q523-E527 WeakPolarHBondContact CG-OE1 3.28Å; Q523-E527 PolarHBondContact NE2-OE1 3.46Å; Q523-E527 WeakPolarHBondContact O-CB 3.38Å; Q523-E527 WeakPolarHBondContact O-CG 3.45Å; Q523-E527 PolarHBondContact O-N 3.44Å
524E95Very high93.8Very high104 Ų104116.6 Ų116.649%0.48654%0.542SS..Hα-helixtrans-56.4-37.1173.7-73.2-173-174.900112.4E520 K528E520-E524 PolarHBondContact O-N 3.37Å; E524-K528 WeakPolarHBondContact O-CB 3.5Å; E524-K528 WeakPolarHBondContact O-CG 3.49Å; E524-K528 PolarHBondContact O-N 2.93Å
525Y93.8Very high94.1Very high140 Ų140115.1 Ų115.155%0.54954%0.54SS..Hα-helixtrans-66.1-50.5176.6172.7-95.9000112.2L521 Q523 E527 K528 K529L521-Y525 VanDerWaalsContact O-CB 3.31Å; L521-Y525 WeakPolarHBondContact O-CB 3.42Å; L521-Y525 PolarHBondContact O-N 3.05Å; Q523-Y525 PolarHBondContact O-N 3.2Å; Y525-E527 VanDerWaalsContact C-N 3.34Å; Y525-E527 PolarHBondContact O-N 3.16Å; Y525-K528 PolarHBondContact O-N 3.1Å; Y525-K529 HydrophobicContact CE1-CD 3.92Å; Y525-K529 WeakPolarHBondContact O-CB 3.26Å; Y525-K529 PolarHBondContact O-N 3.43Å
526E95.1Very high94.1Very high87 Ų87108.8 Ų108.841%0.40752%0.524SS..Hα-helixtrans-66.6-35.1178.9-68.8-62.516300111.8N522 Q523 K529 A530N522-E526 PolarHBondContact O-N 2.87Å; Q523-E526 PolarHBondContact O-N 3.46Å; E526-K529 PolarHBondContact O-N 3.11Å; E526-K529 IonicContact OE1-NZ 3.65Å; E526-K529 IonicContact OE2-NZ 2.88Å; E526-K529 PolarHBondContact OE2-NZ 2.97Å; E526-A530 VanDerWaalsContact O-CB 3.32Å; E526-A530 WeakPolarHBondContact O-CB 3.48Å; E526-A530 PolarHBondContact O-N 3.1Å
527E95.9Very high94Very high98 Ų98105.8 Ų105.846%0.45852%0.52SS..Hα-helixtrans-62.8-47.8173.4-74175.7-165.200111.8Q523 Y525 A530 Q531Q523-E527 HydrophobicContact CG-CG 4.45Å; Q523-E527 VanDerWaalsContact CG-OE1 3.29Å; Q523-E527 WeakPolarHBondContact CG-OE1 3.28Å; Q523-E527 PolarHBondContact NE2-OE1 3.46Å; Q523-E527 WeakPolarHBondContact O-CB 3.38Å; Q523-E527 WeakPolarHBondContact O-CG 3.45Å; Q523-E527 PolarHBondContact O-N 3.44Å; Y525-E527 VanDerWaalsContact C-N 3.34Å; Y525-E527 PolarHBondContact O-N 3.16Å; E527-A530 PolarHBondContact O-N 3.42Å; E527-Q531 VanDerWaalsContact O-CG 3.31Å; E527-Q531 WeakPolarHBondContact O-CG 3.32Å; E527-Q531 PolarHBondContact O-N 2.58Å
528K93.8Very high94.1Very high136 Ų13698.6 Ų98.659%0.59150%0.503SS*.Hα-helixtrans-67.5-35.1176.2-76.4-179.4178.7170.50112.8E524 Y525 Q531 Y532E524-K528 WeakPolarHBondContact O-CB 3.5Å; E524-K528 WeakPolarHBondContact O-CG 3.49Å; E524-K528 PolarHBondContact O-N 2.93Å; Y525-K528 PolarHBondContact O-N 3.1Å; K528-Q531 PolarHBondContact O-N 3.21Å; K528-Y532 WeakPolarHBondContact O-CB 3.29Å; K528-Y532 PolarHBondContact O-N 3.43Å
529K95.9Very high94.2Very high67 Ų6795.7 Ų95.729%0.29150%0.501SS..Hα-helixtrans-65.3-45.7175.1178.1177.7147-126.70110.9Y525 E526 Q531 Y532 E533Y525-K529 HydrophobicContact CE1-CD 3.92Å; Y525-K529 WeakPolarHBondContact O-CB 3.26Å; Y525-K529 PolarHBondContact O-N 3.43Å; E526-K529 PolarHBondContact O-N 3.11Å; E526-K529 IonicContact OE1-NZ 3.65Å; E526-K529 IonicContact OE2-NZ 2.88Å; E526-K529 PolarHBondContact OE2-NZ 2.97Å; K529-Q531 PolarHBondContact O-N 2.78Å; K529-Y532 PolarHBondContact O-N 2.64Å; K529-E533 WeakPolarHBondContact CE-OE1 3.39Å; K529-E533 HydrophobicContact CG-CG 4.43Å; K529-E533 WeakPolarHBondContact O-CB 3.22Å; K529-E533 WeakPolarHBondContact O-CG 3.4Å; K529-E533 PolarHBondContact O-N 3.37Å
530A95.2Very high94.1Very high55 Ų5597 Ų9746%0.45550%0.5SS..Hα-helixtrans-62.6-40175.500000112.4E526 E527 S534E526-A530 VanDerWaalsContact O-CB 3.32Å; E526-A530 WeakPolarHBondContact O-CB 3.48Å; E526-A530 PolarHBondContact O-N 3.1Å; E527-A530 PolarHBondContact O-N 3.42Å; A530-S534 VanDerWaalsContact O-CB 3.27Å; A530-S534 WeakPolarHBondContact O-CB 3.25Å; A530-S534 PolarHBondContact O-N 3.25Å
531Q94.4Very high94.2Very high125 Ų12595.2 Ų95.258%0.58450%0.498SS*.Hα-helixtrans-61.3-45.1172.5-72.4170.814.300111.9E527 K528 K529 C535E527-Q531 VanDerWaalsContact O-CG 3.31Å; E527-Q531 WeakPolarHBondContact O-CG 3.32Å; E527-Q531 PolarHBondContact O-N 2.58Å; K528-Q531 PolarHBondContact O-N 3.21Å; K529-Q531 PolarHBondContact O-N 2.78Å; Q531-C535 WeakPolarHBondContact O-CB 3.42Å; Q531-C535 PolarHBondContact O-N 3.45Å; Q531-C535 PolarHBondContact O-SG 3.48Å
532Y94.2Very high94.3Very high169 Ų16994 Ų9466%0.66349%0.492SS*.Hα-helixtrans-63.3-48.4177175.1-92.9000112.1K528 K529 S534 C535 A536K528-Y532 WeakPolarHBondContact O-CB 3.29Å; K528-Y532 PolarHBondContact O-N 3.43Å; K529-Y532 PolarHBondContact O-N 2.64Å; Y532-S534 VanDerWaalsContact C-N 3.33Å; Y532-S534 PolarHBondContact O-N 2.91Å; Y532-C535 PolarHBondContact O-N 3.11Å; Y532-A536 HydrophobicContact CE1-CB 4.45Å; Y532-A536 VanDerWaalsContact O-CB 3.25Å; Y532-A536 WeakPolarHBondContact O-CB 3.24Å; Y532-A536 PolarHBondContact O-N 3.22Å
533E94.4Very high94.3Very high105 Ų10596.5 Ų96.549%0.49150%0.495SS..Hα-helixtrans-60.9-41.1178.5-73.6173.4175.500111.4K529 A536 A537K529-E533 WeakPolarHBondContact CE-OE1 3.39Å; K529-E533 HydrophobicContact CG-CG 4.43Å; K529-E533 WeakPolarHBondContact O-CB 3.22Å; K529-E533 WeakPolarHBondContact O-CG 3.4Å; K529-E533 PolarHBondContact O-N 3.37Å; E533-A536 PolarHBondContact O-N 2.87Å; E533-A537 WeakPolarHBondContact O-CB 3.46Å; E533-A537 PolarHBondContact O-N 3.49Å
534S95.8Very high94.2Very high86 Ų8693.5 Ų93.560%0.60149%0.487SS*.Hα-helixtrans-63.5-46.9174.6-177.30000112.5A530 Y532 G538A530-S534 VanDerWaalsContact O-CB 3.27Å; A530-S534 WeakPolarHBondContact O-CB 3.25Å; A530-S534 PolarHBondContact O-N 3.25Å; Y532-S534 VanDerWaalsContact C-N 3.33Å; Y532-S534 PolarHBondContact O-N 2.91Å; S534-G538 PolarHBondContact O-N 2.74Å
535C93.6Very high94.3Very high83 Ų8393.9 Ų93.956%0.56149%0.487SS*.Hα-helixtrans-65.4-40.9177.5-68.40000112Q531 Y532 G538 L539Q531-C535 WeakPolarHBondContact O-CB 3.42Å; Q531-C535 PolarHBondContact O-N 3.45Å; Q531-C535 PolarHBondContact O-SG 3.48Å; Y532-C535 PolarHBondContact O-N 3.11Å; C535-G538 PolarHBondContact O-N 3.21Å; C535-L539 WeakPolarHBondContact O-CB 3.35Å; C535-L539 WeakPolarHBondContact O-CG 3.45Å; C535-L539 PolarHBondContact O-N 2.66Å
536A92.1Very high94.2Very high36 Ų3692.1 Ų92.130%0.29849%0.486SS..Hα-helixtrans-62.5-48.3177.300000111.3Y532 E533 G538 L539 E540Y532-A536 HydrophobicContact CE1-CB 4.45Å; Y532-A536 VanDerWaalsContact O-CB 3.25Å; Y532-A536 WeakPolarHBondContact O-CB 3.24Å; Y532-A536 PolarHBondContact O-N 3.22Å; E533-A536 PolarHBondContact O-N 2.87Å; A536-G538 VanDerWaalsContact C-N 3.33Å; A536-G538 PolarHBondContact O-N 3Å; A536-L539 PolarHBondContact O-N 3.48Å; A536-E540 WeakPolarHBondContact O-CB 3.37Å; A536-E540 PolarHBondContact O-N 2.83Å
537A92.7Very high94.1Very high58 Ų5892.7 Ų92.748%0.47949%0.489SS..Hα-helixtrans-62-38.4176.600000112.5E533 S541E533-A537 WeakPolarHBondContact O-CB 3.46Å; E533-A537 PolarHBondContact O-N 3.49Å; A537-S541 WeakPolarHBondContact O-CB 2.77Å; A537-S541 PolarHBondContact O-N 3.09Å
538G94.5Very high94.1Very high33 Ų3394.2 Ų94.234%0.3450%0.496SS..Hα-helixtrans-63.7-45.2174.200000112.9S534 C535 A536 N542S534-G538 PolarHBondContact O-N 2.74Å; C535-G538 PolarHBondContact O-N 3.21Å; A536-G538 VanDerWaalsContact C-N 3.33Å; A536-G538 PolarHBondContact O-N 3Å; G538-N542 VanDerWaalsContact O-CG 3.29Å; G538-N542 PolarHBondContact O-N 2.84Å; G538-N542 PolarHBondContact O-ND2 3.36Å
539L91.2Very high94.2Very high123 Ų12393 Ų9364%0.64449%0.493SS*.Hα-helixtrans-65.8-40.3176-72172.4000112.2C535 A536 N542 R543C535-L539 WeakPolarHBondContact O-CB 3.35Å; C535-L539 WeakPolarHBondContact O-CG 3.45Å; C535-L539 PolarHBondContact O-N 2.66Å; A536-L539 PolarHBondContact O-N 3.48Å; L539-N542 PolarHBondContact O-N 3.35Å; L539-R543 WeakPolarHBondContact O-CB 3.44Å; L539-R543 PolarHBondContact O-N 3.49Å
540E92.8Very high94.2Very high124 Ų12493.1 Ų93.158%0.57950%0.498SS*.Hα-helixtrans-68.4-38.6178.2-171.2158.9-134.700112A536 R543 S544A536-E540 WeakPolarHBondContact O-CB 3.37Å; A536-E540 PolarHBondContact O-N 2.83Å; E540-R543 PolarHBondContact O-N 3.12Å; E540-S544 WeakPolarHBondContact O-CB 3.39Å; E540-S544 PolarHBondContact O-N 2.8Å
541S96.1Very high94.2Very high54 Ų5496.8 Ų96.838%0.37850%0.504SS..Hα-helixtrans-61.1-45.3170.8-172.30000112A537 S544 K545A537-S541 WeakPolarHBondContact O-CB 2.77Å; A537-S541 PolarHBondContact O-N 3.09Å; S541-S544 PolarHBondContact O-N 2.89Å; S541-K545 WeakPolarHBondContact O-CG 3.46Å; S541-K545 PolarHBondContact O-N 3.16Å
542N94.9Very high94.3Very high89 Ų8993.1 Ų93.148%0.47650%0.495SS..Hα-helixtrans-66.2-38.7177.3-71.2-15.7000112G538 L539 K545 L546G538-N542 VanDerWaalsContact O-CG 3.29Å; G538-N542 PolarHBondContact O-N 2.84Å; G538-N542 PolarHBondContact O-ND2 3.36Å; L539-N542 PolarHBondContact O-N 3.35Å; N542-K545 PolarHBondContact O-N 3.27Å; N542-L546 WeakPolarHBondContact O-CG 3.46Å; N542-L546 PolarHBondContact O-N 2.86Å
543R92.7Very high94.3Very high140 Ų14090 Ų9053%0.52849%0.489SS..Hα-helixtrans-61.6-46174.6-155.7-16996.1-144.9-4.5111.1L539 E540 K545 L546 E547L539-R543 WeakPolarHBondContact O-CB 3.44Å; L539-R543 PolarHBondContact O-N 3.49Å; E540-R543 PolarHBondContact O-N 3.12Å; R543-K545 PolarHBondContact O-N 3.28Å; R543-L546 PolarHBondContact O-N 2.87Å; R543-E547 IonicContact CZ-OE1 2.58Å; R543-E547 VanDerWaalsContact CZ-OE1 3.31Å; R543-E547 IonicContact NE-OE1 2.64Å; R543-E547 PolarHBondContact NE-OE1 3.02Å; R543-E547 IonicContact NH2-OE1 2.78Å; R543-E547 PolarHBondContact NH2-OE1 3.28Å; R543-E547 IonicContact NH2-OE2 3.86Å; R543-E547 WeakPolarHBondContact O-CB 3.48Å; R543-E547 VanDerWaalsContact O-CG 3.32Å; R543-E547 WeakPolarHBondContact O-CG 3.32Å; R543-E547 PolarHBondContact O-N 2.73Å
544S94.6Very high94.2Very high52 Ų5293.1 Ų93.136%0.36450%0.497SS..Hα-helixtrans-61.6-42.1177.9-177.70000112.5E540 S541 E547 Q548E540-S544 WeakPolarHBondContact O-CB 3.39Å; E540-S544 PolarHBondContact O-N 2.8Å; S541-S544 PolarHBondContact O-N 2.89Å; S544-E547 PolarHBondContact O-N 3.4Å; S544-Q548 WeakPolarHBondContact O-CG 3.32Å; S544-Q548 PolarHBondContact O-N 2.94Å
545K95.8Very high94.2Very high111 Ų11193.7 Ų93.748%0.48349%0.49SS..Hα-helixtrans-62-48.8173.8-70.6171.4-174.9172.80112.1S541 N542 R543 E547 Q548 E549S541-K545 WeakPolarHBondContact O-CG 3.46Å; S541-K545 PolarHBondContact O-N 3.16Å; N542-K545 PolarHBondContact O-N 3.27Å; R543-K545 PolarHBondContact O-N 3.28Å; K545-E547 VanDerWaalsContact C-N 3.32Å; K545-E547 PolarHBondContact O-N 3.11Å; K545-Q548 WeakPolarHBondContact O-CB 3.42Å; K545-Q548 PolarHBondContact O-N 2.93Å; K545-Q548 VanDerWaalsContact O-N 3.13Å; K545-E549 WeakPolarHBondContact O-CG 3.5Å; K545-E549 PolarHBondContact O-N 3.42Å
546L93.3Very high94.3Very high103 Ų10395 Ų9554%0.53949%0.488SS..Hα-helixtrans-62.5-37.6177.2-73.3170.7000112.3N542 R543 Q548 E549 V550N542-L546 WeakPolarHBondContact O-CG 3.46Å; N542-L546 PolarHBondContact O-N 2.86Å; R543-L546 PolarHBondContact O-N 2.87Å; L546-Q548 VanDerWaalsContact C-N 3.34Å; L546-E549 PolarHBondContact O-N 2.89Å; L546-V550 WeakPolarHBondContact O-CB 3.22Å; L546-V550 VanDerWaalsContact O-CG2 3.25Å; L546-V550 WeakPolarHBondContact O-CG2 3.27Å; L546-V550 PolarHBondContact O-N 3.44Å
547E93.3Very high94.4Very high99 Ų9998.7 Ų98.746%0.46350%0.5SS..Hα-helixtrans-62.9-39173.5-77.3172.2-172.100111.8R543 S544 K545 K551R543-E547 IonicContact CZ-OE1 2.58Å; R543-E547 VanDerWaalsContact CZ-OE1 3.31Å; R543-E547 IonicContact NE-OE1 2.64Å; R543-E547 PolarHBondContact NE-OE1 3.02Å; R543-E547 IonicContact NH2-OE1 2.78Å; R543-E547 PolarHBondContact NH2-OE1 3.28Å; R543-E547 IonicContact NH2-OE2 3.86Å; R543-E547 WeakPolarHBondContact O-CB 3.48Å; R543-E547 VanDerWaalsContact O-CG 3.32Å; R543-E547 WeakPolarHBondContact O-CG 3.32Å; R543-E547 PolarHBondContact O-N 2.73Å; S544-E547 PolarHBondContact O-N 3.4Å; K545-E547 VanDerWaalsContact C-N 3.32Å; K545-E547 PolarHBondContact O-N 3.11Å; E547-K551 WeakPolarHBondContact O-CB 3.31Å; E547-K551 PolarHBondContact O-N 2.95Å
548Q95.6Very high94.4Very high131 Ų13197.9 Ų97.961%0.61249%0.494SS*.Hα-helixtrans-69-44.3174.8-71.5177.911.800112.4S544 K545 L546 K551 A552S544-Q548 WeakPolarHBondContact O-CG 3.32Å; S544-Q548 PolarHBondContact O-N 2.94Å; K545-Q548 WeakPolarHBondContact O-CB 3.42Å; K545-Q548 PolarHBondContact O-N 2.93Å; K545-Q548 VanDerWaalsContact O-N 3.13Å; L546-Q548 VanDerWaalsContact C-N 3.34Å; Q548-K551 WeakPolarHBondContact O-CB 3.28Å; Q548-K551 PolarHBondContact O-N 3Å; Q548-A552 PolarHBondContact O-N 3.34Å
549E96.2Very high94.5Very high111 Ų111102.6 Ų102.652%0.51951%0.507SS..Hα-helixtrans-61.5-46.5176.1-72.9171.3-167.700111.6K545 L546 K551 A552 L553K545-E549 WeakPolarHBondContact O-CG 3.5Å; K545-E549 PolarHBondContact O-N 3.42Å; L546-E549 PolarHBondContact O-N 2.89Å; E549-K551 VanDerWaalsContact C-N 3.27Å; E549-K551 PolarHBondContact O-N 3.02Å; E549-A552 PolarHBondContact O-N 3.26Å; E549-L553 WeakPolarHBondContact O-CB 3.49Å; E549-L553 WeakPolarHBondContact O-CG 3.37Å; E549-L553 PolarHBondContact O-N 2.92Å
550V95Very high94.6Very high68 Ų68101.5 Ų101.541%0.41250%0.502SS..Hα-helixtrans-62.4-35.1175.5169.10000111.6L546 R554L546-V550 WeakPolarHBondContact O-CB 3.22Å; L546-V550 VanDerWaalsContact O-CG2 3.25Å; L546-V550 WeakPolarHBondContact O-CG2 3.27Å; L546-V550 PolarHBondContact O-N 3.44Å; V550-R554 WeakPolarHBondContact O-CB 3.47Å; V550-R554 VanDerWaalsContact O-CG 3.26Å; V550-R554 WeakPolarHBondContact O-CG 3.49Å; V550-R554 PolarHBondContact O-N 3.43Å; V550-R554 VanDerWaalsContact O-N 3.12Å
551K95.4Very high94.6Very high133 Ų133101.1 Ų101.158%0.57850%0.5SS*.Hα-helixtrans-67.8-47.2175.1-171.5-176.7175.8-157.60111.4E547 Q548 E549 L553 R554 E555E547-K551 WeakPolarHBondContact O-CB 3.31Å; E547-K551 PolarHBondContact O-N 2.95Å; Q548-K551 WeakPolarHBondContact O-CB 3.28Å; Q548-K551 PolarHBondContact O-N 3Å; E549-K551 VanDerWaalsContact C-N 3.27Å; E549-K551 PolarHBondContact O-N 3.02Å; K551-L553 PolarHBondContact O-N 2.95Å; K551-R554 PolarHBondContact O-N 2.95Å; K551-E555 WeakPolarHBondContact CE-OE1 3.41Å; K551-E555 IonicContact NZ-OE1 2.64Å; K551-E555 PolarHBondContact O-N 2.98Å
552A96.3Very high94.5Very high48 Ų48104 Ų10440%0.39751%0.511SS..Hα-helixtrans-59.2-47.4177.200000111.6Q548 E549 R554 E555 E556Q548-A552 PolarHBondContact O-N 3.34Å; E549-A552 PolarHBondContact O-N 3.26Å; A552-R554 VanDerWaalsContact C-N 3.3Å; A552-R554 PolarHBondContact O-N 3.24Å; A552-E555 PolarHBondContact O-N 3.45Å; A552-E555 VanDerWaalsContact O-N 3.11Å; A552-E556 PolarHBondContact O-N 2.96Å
553L94.1Very high94.6Very high102 Ų102107.9 Ų107.953%0.53452%0.519SS..Hα-helixtrans-61.3-35.2176.9-70.9170.4000112.9E549 K551 M557E549-L553 WeakPolarHBondContact O-CB 3.49Å; E549-L553 WeakPolarHBondContact O-CG 3.37Å; E549-L553 PolarHBondContact O-N 2.92Å; K551-L553 PolarHBondContact O-N 2.95Å; L553-M557 WeakPolarHBondContact O-CG 3.24Å; L553-M557 PolarHBondContact O-N 3.47Å
554R93.6Very high94.7Very high171 Ų171108 Ų10865%0.64552%0.521SS*.Hα-helixtrans-68.2-39.6173.5-76.8172.9178.4-172.90.9112.4V550 K551 A552 M557 A558V550-R554 WeakPolarHBondContact O-CB 3.47Å; V550-R554 VanDerWaalsContact O-CG 3.26Å; V550-R554 WeakPolarHBondContact O-CG 3.49Å; V550-R554 PolarHBondContact O-N 3.43Å; V550-R554 VanDerWaalsContact O-N 3.12Å; K551-R554 PolarHBondContact O-N 2.95Å; A552-R554 VanDerWaalsContact C-N 3.3Å; A552-R554 PolarHBondContact O-N 3.24Å; R554-M557 HydrophobicContact CG-CE 4.38Å; R554-M557 PolarHBondContact O-N 3.13Å; R554-A558 WeakPolarHBondContact O-CB 3.26Å; R554-A558 PolarHBondContact O-N 3.5Å
555E95.5Very high94.6Very high98 Ų98110.7 Ų110.746%0.45853%0.527SS..Hα-helixtrans-66.5-40.2175.5-71.3175.4-176.300111.1K551 A552 A558 Q559K551-E555 WeakPolarHBondContact CE-OE1 3.41Å; K551-E555 IonicContact NZ-OE1 2.64Å; K551-E555 PolarHBondContact O-N 2.98Å; A552-E555 PolarHBondContact O-N 3.45Å; A552-E555 VanDerWaalsContact O-N 3.11Å; E555-A558 PolarHBondContact O-N 3.1Å; E555-Q559 WeakPolarHBondContact O-CB 3.5Å; E555-Q559 VanDerWaalsContact O-CG 3.29Å; E555-Q559 WeakPolarHBondContact O-CG 3.31Å; E555-Q559 PolarHBondContact O-N 3.06Å
556E95.6Very high94.6Very high111 Ų111112.7 Ų112.752%0.51953%0.533SS..Hα-helixtrans-64.2-44.3172.5-73.2-17416800112.8A552 Q559 N560A552-E556 PolarHBondContact O-N 2.96Å; E556-Q559 PolarHBondContact O-N 2.97Å; E556-N560 WeakPolarHBondContact O-CB 3.29Å; E556-N560 PolarHBondContact O-N 3.33Å; E556-N560 PolarHBondContact O-ND2 2.98Å
557M93.4Very high94.7Very high113 Ų113111.9 Ų111.956%0.55753%0.528SS*.Hα-helixtrans-59.2-48.3174.9-75.8-165.4-50.100111.2L553 R554 Q559 N560 E561L553-M557 WeakPolarHBondContact O-CG 3.24Å; L553-M557 PolarHBondContact O-N 3.47Å; R554-M557 HydrophobicContact CG-CE 4.38Å; R554-M557 PolarHBondContact O-N 3.13Å; M557-Q559 VanDerWaalsContact C-N 3.32Å; M557-Q559 PolarHBondContact O-N 2.97Å; M557-N560 PolarHBondContact O-N 2.92Å; M557-N560 VanDerWaalsContact O-N 3.12Å; M557-E561 WeakPolarHBondContact O-CG 3.46Å; M557-E561 PolarHBondContact O-N 3.27Å
558A93.4Very high94.8Very high42 Ų42110.1 Ų110.135%0.34752%0.522SS..Hα-helixtrans-62.2-37.8178.500000112.5R554 E555 N562R554-A558 WeakPolarHBondContact O-CB 3.26Å; R554-A558 PolarHBondContact O-N 3.5Å; E555-A558 PolarHBondContact O-N 3.1Å; A558-N562 WeakPolarHBondContact O-CB 3.34Å; A558-N562 PolarHBondContact O-N 3.19Å; A558-N562 PolarHBondContact O-ND2 3.48Å
559Q95.8Very high94.6Very high131 Ų131106.7 Ų106.761%0.61251%0.513SS*.Hα-helixtrans-65.2-40.9173.3-74.1177.735.400112.2E555 E556 M557 R563E555-Q559 WeakPolarHBondContact O-CB 3.5Å; E555-Q559 VanDerWaalsContact O-CG 3.29Å; E555-Q559 WeakPolarHBondContact O-CG 3.31Å; E555-Q559 PolarHBondContact O-N 3.06Å; E556-Q559 PolarHBondContact O-N 2.97Å; M557-Q559 VanDerWaalsContact C-N 3.32Å; M557-Q559 PolarHBondContact O-N 2.97Å; Q559-R563 VanDerWaalsContact O-CB 3.31Å; Q559-R563 WeakPolarHBondContact O-CB 3.48Å; Q559-R563 PolarHBondContact O-N 3.48Å
560N93.1Very high94.6Very high101 Ų101104.9 Ų104.954%0.5451%0.505SS..Hα-helixtrans-69.7-39.5178.1-75.1-44000112.6E556 M557 R563 Y564E556-N560 WeakPolarHBondContact O-CB 3.29Å; E556-N560 PolarHBondContact O-N 3.33Å; E556-N560 PolarHBondContact O-ND2 2.98Å; M557-N560 PolarHBondContact O-N 2.92Å; M557-N560 VanDerWaalsContact O-N 3.12Å; N560-R563 PolarHBondContact O-N 3.46Å; N560-Y564 WeakPolarHBondContact O-CB 3.41Å; N560-Y564 PolarHBondContact O-N 3.49Å
561E93.3Very high94.5Very high116 Ų116104.1 Ų104.154%0.54250%0.503SS..Hα-helixtrans-61.8-48.2172.5-74.1175.8165.200111.3M557 R563 Y564 H565M557-E561 WeakPolarHBondContact O-CG 3.46Å; M557-E561 PolarHBondContact O-N 3.27Å; E561-R563 VanDerWaalsContact C-N 3.3Å; E561-R563 PolarHBondContact O-N 2.88Å; E561-Y564 WeakPolarHBondContact O-CB 3.33Å; E561-Y564 PolarHBondContact O-N 2.92Å; E561-H565 PolarHBondContact O-CD2 3.28Å; E561-H565 PolarHBondContact O-N 2.9Å
562N94.4Very high94.4Very high114 Ų114103 Ų10361%0.6150%0.499SS*.Hα-helixtrans-58.4-42.4174.8-75.8-37.9000111.8A558 Y566A558-N562 WeakPolarHBondContact O-CB 3.34Å; A558-N562 PolarHBondContact O-N 3.19Å; A558-N562 PolarHBondContact O-ND2 3.48Å; N562-Y566 WeakPolarHBondContact O-CB 3.46Å; N562-Y566 PolarHBondContact O-N 2.73Å
563R95.9Very high94.3Very high171 Ų171104.4 Ų104.465%0.64550%0.499SS*.Hα-helixtrans-66.8-39.3176.9-173.9173.1-177.2149.31.3112.1Q559 N560 E561 I567Q559-R563 VanDerWaalsContact O-CB 3.31Å; Q559-R563 WeakPolarHBondContact O-CB 3.48Å; Q559-R563 PolarHBondContact O-N 3.48Å; N560-R563 PolarHBondContact O-N 3.46Å; E561-R563 VanDerWaalsContact C-N 3.3Å; E561-R563 PolarHBondContact O-N 2.88Å; R563-I567 HydrophobicContact CG-CD1 3.85Å; R563-I567 WeakPolarHBondContact O-CB 3.45Å; R563-I567 VanDerWaalsContact O-CG1 3.25Å; R563-I567 WeakPolarHBondContact O-CG1 3.36Å; R563-I567 PolarHBondContact O-N 3.11Å
564Y95.3Very high94.3Very high142 Ų142103.3 Ų103.356%0.55749%0.493SS*.Hα-helixtrans-61.7-52.2174.2169.2-102.8000111.2N560 E561 Y566 I567 N568N560-Y564 WeakPolarHBondContact O-CB 3.41Å; N560-Y564 PolarHBondContact O-N 3.49Å; E561-Y564 WeakPolarHBondContact O-CB 3.33Å; E561-Y564 PolarHBondContact O-N 2.92Å; Y564-Y566 VanDerWaalsContact C-N 3.32Å; Y564-Y566 PolarHBondContact O-N 2.83Å; Y564-I567 PolarHBondContact O-N 3.48Å; Y564-N568 WeakPolarHBondContact O-CB 3.26Å; Y564-N568 PolarHBondContact O-N 2.82Å
565H93.1Very high94.3Very high109 Ų109100.7 Ų100.751%0.50549%0.488SS..Hα-helixtrans-62-38.2178.6-70.4-57.1000112.8E561 S569E561-H565 PolarHBondContact O-CD2 3.28Å; E561-H565 PolarHBondContact O-N 2.9Å; H565-S569 WeakPolarHBondContact O-CB 3.47Å; H565-S569 PolarHBondContact O-N 3.06Å; H565-S569 PolarHBondContact O-OG 3.42Å
566Y95.5Very high94Very high152 Ų152100.8 Ų100.860%0.59649%0.49SS*.Hα-helixtrans-64-47.5174.6176.4-98.1000112.1N562 Y564 S569 M570N562-Y566 WeakPolarHBondContact O-CB 3.46Å; N562-Y566 PolarHBondContact O-N 2.73Å; Y564-Y566 VanDerWaalsContact C-N 3.32Å; Y564-Y566 PolarHBondContact O-N 2.83Å; Y566-S569 PolarHBondContact O-N 2.98Å; Y566-M570 HydrophobicContact CE1-CE 4.43Å; Y566-M570 HydrophobicContact CE2-CE 4.17Å; Y566-M570 WeakPolarHBondContact O-CB 3.45Å; Y566-M570 PolarHBondContact O-N 2.92Å; Y566-M570 WeakPolarHBondContact OH-CE 3.35Å
567I94.5Very high93.7Very high87 Ų87101 Ų10145%0.44649%0.491SS..Hα-helixtrans-64.8-42.6178-70170.4000110.6R563 Y564 M570 S571R563-I567 HydrophobicContact CG-CD1 3.85Å; R563-I567 WeakPolarHBondContact O-CB 3.45Å; R563-I567 VanDerWaalsContact O-CG1 3.25Å; R563-I567 WeakPolarHBondContact O-CG1 3.36Å; R563-I567 PolarHBondContact O-N 3.11Å; Y564-I567 PolarHBondContact O-N 3.48Å; I567-M570 PolarHBondContact O-N 3.18Å; I567-S571 WeakPolarHBondContact O-CB 3.4Å; I567-S571 PolarHBondContact O-N 3.49Å; I567-S571 PolarHBondContact O-OG 3.36Å
568N95.3Very high93.6Very high61 Ų61100.9 Ų100.933%0.32649%0.491SS..Hα-helixtrans-62.1-46.9178.1-158.779.5000111.7Y564 M570 S571 E572Y564-N568 WeakPolarHBondContact O-CB 3.26Å; Y564-N568 PolarHBondContact O-N 2.82Å; N568-M570 VanDerWaalsContact C-N 3.3Å; N568-M570 PolarHBondContact O-N 3.43Å; N568-S571 WeakPolarHBondContact O-CB 3.45Å; N568-S571 PolarHBondContact O-N 3.46Å; N568-S571 VanDerWaalsContact O-N 3.16Å; N568-E572 PolarHBondContact ND2-OE1 2.96Å; N568-E572 WeakPolarHBondContact O-CG 3.19Å; N568-E572 PolarHBondContact O-N 3.03Å
569S93Very high93.4Very high60 Ų60105 Ų10542%0.4250%0.504SS..Hα-helixtrans-59.7-40.2174.7-53.70000111.9H565 Y566 I573H565-S569 WeakPolarHBondContact O-CB 3.47Å; H565-S569 PolarHBondContact O-N 3.06Å; H565-S569 PolarHBondContact O-OG 3.42Å; Y566-S569 PolarHBondContact O-N 2.98Å; S569-I573 WeakPolarHBondContact O-CD1 3.43Å; S569-I573 VanDerWaalsContact O-CG1 3.26Å; S569-I573 WeakPolarHBondContact O-CG1 3.28Å; S569-I573 PolarHBondContact O-N 2.64Å; S569-I573 VanDerWaalsContact O-N 3.08Å
570M95.1Very high92.9Very high72 Ų72106.6 Ų106.636%0.35550%0.504SS..Hα-helixtrans-67.1-39.3176.4-167.663.667.100111.7Y566 I567 N568 I573 I574Y566-M570 HydrophobicContact CE1-CE 4.43Å; Y566-M570 HydrophobicContact CE2-CE 4.17Å; Y566-M570 WeakPolarHBondContact O-CB 3.45Å; Y566-M570 PolarHBondContact O-N 2.92Å; Y566-M570 WeakPolarHBondContact OH-CE 3.35Å; I567-M570 PolarHBondContact O-N 3.18Å; N568-M570 VanDerWaalsContact C-N 3.3Å; N568-M570 PolarHBondContact O-N 3.43Å; M570-I573 PolarHBondContact O-N 3.41Å; M570-I574 HydrophobicContact CG-CD1 4.03Å; M570-I574 WeakPolarHBondContact O-CB 3.46Å; M570-I574 VanDerWaalsContact O-CG1 3.29Å; M570-I574 WeakPolarHBondContact O-CG1 3.33Å; M570-I574 PolarHBondContact O-N 3.1Å
571S93.4Very high92.5Very high53 Ų53104.6 Ų104.637%0.37150%0.502SS..Hα-helixtrans-63.3-45.5174.8-70.70000111.8I567 N568 I573 I574 E575I567-S571 WeakPolarHBondContact O-CB 3.4Å; I567-S571 PolarHBondContact O-N 3.49Å; I567-S571 PolarHBondContact O-OG 3.36Å; N568-S571 WeakPolarHBondContact O-CB 3.45Å; N568-S571 PolarHBondContact O-N 3.46Å; N568-S571 VanDerWaalsContact O-N 3.16Å; S571-I573 VanDerWaalsContact C-N 3.32Å; S571-I573 PolarHBondContact O-N 3.17Å; S571-I574 PolarHBondContact O-N 2.87Å; S571-I574 VanDerWaalsContact O-N 3.16Å; S571-E575 WeakPolarHBondContact O-CB 3.33Å; S571-E575 WeakPolarHBondContact O-CG 3.21Å; S571-E575 PolarHBondContact O-N 2.85Å
572E93.4Very high92.2Very high108 Ų108101 Ų10151%0.50549%0.492SS..Hα-helixtrans-59-40.9174.5-72.1171-155.600112.2N568 E575 M576N568-E572 PolarHBondContact ND2-OE1 2.96Å; N568-E572 WeakPolarHBondContact O-CG 3.19Å; N568-E572 PolarHBondContact O-N 3.03Å; E572-E575 PolarHBondContact O-N 3.12Å; E572-M576 PolarHBondContact O-N 3.42Å
573I93Very high91.6Very high78 Ų7897.4 Ų97.440%0.448%0.482SS..Hα-helixtrans-63.5-44.8174.8-70.1165.1000110.9S569 M570 S571 M576 Q577S569-I573 WeakPolarHBondContact O-CD1 3.43Å; S569-I573 VanDerWaalsContact O-CG1 3.26Å; S569-I573 WeakPolarHBondContact O-CG1 3.28Å; S569-I573 PolarHBondContact O-N 2.64Å; S569-I573 VanDerWaalsContact O-N 3.08Å; M570-I573 PolarHBondContact O-N 3.41Å; S571-I573 VanDerWaalsContact C-N 3.32Å; S571-I573 PolarHBondContact O-N 3.17Å; I573-M576 PolarHBondContact O-N 3.17Å; I573-Q577 VanDerWaalsContact O-CG 3.32Å; I573-Q577 WeakPolarHBondContact O-CG 3.27Å; I573-Q577 PolarHBondContact O-N 2.96Å
574I93.7Very high91Very high79 Ų7992.2 Ų92.241%0.40547%0.465SS..Hα-helixtrans-66.9-41.4178.7-70.7167.2000110.9M570 S571 M576 Q577 I578M570-I574 HydrophobicContact CG-CD1 4.03Å; M570-I574 WeakPolarHBondContact O-CB 3.46Å; M570-I574 VanDerWaalsContact O-CG1 3.29Å; M570-I574 WeakPolarHBondContact O-CG1 3.33Å; M570-I574 PolarHBondContact O-N 3.1Å; S571-I574 PolarHBondContact O-N 2.87Å; S571-I574 VanDerWaalsContact O-N 3.16Å; I574-M576 PolarHBondContact O-N 3.44Å; I574-Q577 WeakPolarHBondContact O-CB 3.46Å; I574-Q577 PolarHBondContact O-N 2.87Å; I574-Q577 VanDerWaalsContact O-N 3.12Å; I574-I578 HydrophobicContact CG2-CD1 3.81Å; I574-I578 HydrophobicContact CG2-CG1 4.38Å; I574-I578 WeakPolarHBondContact O-CG1 3.36Å; I574-I578 PolarHBondContact O-N 3.42Å
575E93.7Very high90.4Very high116 Ų11692 Ų9254%0.54247%0.47SS..Hα-helixtrans-61.2-44.1174.1-77-172.7-174.500111.5S571 E572 Q577 I578 Q579S571-E575 WeakPolarHBondContact O-CB 3.33Å; S571-E575 WeakPolarHBondContact O-CG 3.21Å; S571-E575 PolarHBondContact O-N 2.85Å; E572-E575 PolarHBondContact O-N 3.12Å; E575-Q577 VanDerWaalsContact C-N 3.3Å; E575-Q577 PolarHBondContact O-N 2.64Å; E575-I578 PolarHBondContact O-N 2.98Å; E575-Q579 WeakPolarHBondContact O-CB 3.35Å; E575-Q579 VanDerWaalsContact O-CG 3.28Å; E575-Q579 WeakPolarHBondContact O-CG 3.48Å; E575-Q579 PolarHBondContact O-N 3.3Å
576M89.9Confident89.8Confident100 Ų10094.3 Ų94.349%0.49348%0.479SS..Hα-helixtrans-60.9-37.7172.2-82.5-149-67.200112.7E572 I573 I574 R580E572-M576 PolarHBondContact O-N 3.42Å; I573-M576 PolarHBondContact O-N 3.17Å; I574-M576 PolarHBondContact O-N 3.44Å; M576-R580 WeakPolarHBondContact O-CB 3.46Å; M576-R580 VanDerWaalsContact O-CG 3.22Å; M576-R580 WeakPolarHBondContact O-CG 3.31Å; M576-R580 PolarHBondContact O-N 2.86Å
577Q89.9Confident89.1Confident117 Ų11787.8 Ų87.855%0.54746%0.457SS..Hα-helixtrans-66.8-42.3175.3-72.4174.615.900111.8I573 I574 E575 R580 A581I573-Q577 VanDerWaalsContact O-CG 3.32Å; I573-Q577 WeakPolarHBondContact O-CG 3.27Å; I573-Q577 PolarHBondContact O-N 2.96Å; I574-Q577 WeakPolarHBondContact O-CB 3.46Å; I574-Q577 PolarHBondContact O-N 2.87Å; I574-Q577 VanDerWaalsContact O-N 3.12Å; E575-Q577 VanDerWaalsContact C-N 3.3Å; E575-Q577 PolarHBondContact O-N 2.64Å; Q577-R580 PolarHBondContact O-N 3.33Å; Q577-A581 WeakPolarHBondContact O-CB 3.27Å; Q577-A581 PolarHBondContact O-N 3.37Å
578I91.5Very high88.2Confident109 Ų10990.4 Ų90.456%0.55946%0.462SS*.Hα-helixtrans-63.3-44.2175-69.1167.3000110.6I574 E575 R580 A581 A582I574-I578 HydrophobicContact CG2-CD1 3.81Å; I574-I578 HydrophobicContact CG2-CG1 4.38Å; I574-I578 WeakPolarHBondContact O-CG1 3.36Å; I574-I578 PolarHBondContact O-N 3.42Å; E575-I578 PolarHBondContact O-N 2.98Å; I578-R580 PolarHBondContact O-N 3.44Å; I578-A581 PolarHBondContact O-N 2.97Å; I578-A582 VanDerWaalsContact O-CB 3.29Å; I578-A582 WeakPolarHBondContact O-CB 3.25Å; I578-A582 PolarHBondContact O-N 3.39Å
579Q88.7Confident87.5Confident130 Ų13092.7 Ų92.761%0.60748%0.478SS*.Hα-helixtrans-62.9-40.9176.1-72.4177.52200112E575 A582 G583E575-Q579 WeakPolarHBondContact O-CB 3.35Å; E575-Q579 VanDerWaalsContact O-CG 3.28Å; E575-Q579 WeakPolarHBondContact O-CG 3.48Å; E575-Q579 PolarHBondContact O-N 3.3Å; Q579-A582 PolarHBondContact O-N 3.43Å; Q579-G583 PolarHBondContact O-N 3.5Å
580R84.7Confident86.7Confident163 Ų16391.1 Ų91.162%0.61547%0.467SS*.Hα-helixtrans-62.8-47.7173.7-75.6172.5-174.4-167.13.2111.7M576 Q577 I578 A582 G583 E584M576-R580 WeakPolarHBondContact O-CB 3.46Å; M576-R580 VanDerWaalsContact O-CG 3.22Å; M576-R580 WeakPolarHBondContact O-CG 3.31Å; M576-R580 PolarHBondContact O-N 2.86Å; Q577-R580 PolarHBondContact O-N 3.33Å; I578-R580 PolarHBondContact O-N 3.44Å; R580-A582 PolarHBondContact O-N 3.3Å; R580-G583 PolarHBondContact O-N 2.87Å; R580-E584 PolarHBondContact O-N 3.36Å
581A85.9Confident85.6Confident59 Ų5993.3 Ų93.349%0.48849%0.49SS..Hα-helixtrans-62.2-41.7177.500000112.1Q577 I578 E584 M585Q577-A581 WeakPolarHBondContact O-CB 3.27Å; Q577-A581 PolarHBondContact O-N 3.37Å; I578-A581 PolarHBondContact O-N 2.97Å; A581-E584 PolarHBondContact O-N 3.44Å; A581-M585 WeakPolarHBondContact O-CB 3.24Å; A581-M585 PolarHBondContact O-N 3.46Å
582A85.6Confident84.8Confident42 Ų4294.3 Ų94.335%0.34749%0.491SS..Hα-helixtrans-66.8-36.4175.100000112.4I578 Q579 R580 K586I578-A582 VanDerWaalsContact O-CB 3.29Å; I578-A582 WeakPolarHBondContact O-CB 3.25Å; I578-A582 PolarHBondContact O-N 3.39Å; Q579-A582 PolarHBondContact O-N 3.43Å; R580-A582 PolarHBondContact O-N 3.3Å; A582-K586 WeakPolarHBondContact O-CB 3.47Å; A582-K586 VanDerWaalsContact O-CG 3.24Å; A582-K586 WeakPolarHBondContact O-CG 3.33Å; A582-K586 PolarHBondContact O-N 3.07Å
583G83.4Confident83.7Confident38 Ų3893.4 Ų93.439%0.39249%0.494SS..Hα-helixtrans-65.2-45172.900000112.5Q579 R580 K586 A587Q579-G583 PolarHBondContact O-N 3.5Å; R580-G583 PolarHBondContact O-N 2.87Å; G583-K586 PolarHBondContact O-N 3Å; G583-A587 WeakPolarHBondContact O-CB 3.46Å; G583-A587 PolarHBondContact O-N 2.73Å
584E82.7Confident82.7Confident62 Ų6296.6 Ų96.629%0.2951%0.507SS..Hα-helixtrans-65.4-42.2175.9-176.9160.3-145.700111.8R580 A581 K586 A587 Y588 I600 R601R580-E584 PolarHBondContact O-N 3.36Å; A581-E584 PolarHBondContact O-N 3.44Å; E584-K586 VanDerWaalsContact C-N 3.35Å; E584-K586 PolarHBondContact O-N 3.42Å; E584-A587 PolarHBondContact O-N 2.85Å; E584-Y588 WeakPolarHBondContact O-CB 3.48Å; E584-Y588 PolarHBondContact O-N 3.12Å; E584-I600 WeakPolarHBondContact OE1-CB 2.78Å; E584-I600 PolarHBondContact OE1-N 3.49Å; E584-R601 PolarHBondContact OE1-N 3.36Å
585M81.6Confident81.5Confident136 Ų13696.6 Ų96.667%0.6751%0.506SS*.Hα-helixtrans-65.1-37.6176.5-164.2160.890.600112A581 Y588 V589A581-M585 WeakPolarHBondContact O-CB 3.24Å; A581-M585 PolarHBondContact O-N 3.46Å; M585-Y588 PolarHBondContact O-N 3.03Å; M585-V589 WeakPolarHBondContact O-CB 3.32Å; M585-V589 VanDerWaalsContact O-CG2 3.29Å; M585-V589 WeakPolarHBondContact O-CG2 3.36Å; M585-V589 PolarHBondContact O-N 3.09Å; M585-V589 VanDerWaalsContact O-N 3.07Å
586K82.3Confident80.3Confident158 Ų15894.7 Ų94.769%0.68750%0.496SS*.Hα-helixtrans-62.9-48.4171-76.8171.4-178.2178.90111.9A582 G583 E584 Y588 V589 S590A582-K586 WeakPolarHBondContact O-CB 3.47Å; A582-K586 VanDerWaalsContact O-CG 3.24Å; A582-K586 WeakPolarHBondContact O-CG 3.33Å; A582-K586 PolarHBondContact O-N 3.07Å; G583-K586 PolarHBondContact O-N 3Å; E584-K586 VanDerWaalsContact C-N 3.35Å; E584-K586 PolarHBondContact O-N 3.42Å; K586-Y588 VanDerWaalsContact C-N 3.29Å; K586-Y588 PolarHBondContact O-N 2.81Å; K586-V589 PolarHBondContact O-N 2.94Å; K586-S590 WeakPolarHBondContact O-CB 3.41Å; K586-S590 PolarHBondContact O-N 3.5Å
587A79.5Confident79.5Confident16 Ų1696.7 Ų96.713%0.13250%0.502CS..Hα-helixtrans-63-33.9178.900000112.7G583 E584 K596 T599G583-A587 WeakPolarHBondContact O-CB 3.46Å; G583-A587 PolarHBondContact O-N 2.73Å; E584-A587 PolarHBondContact O-N 2.85Å; A587-K596 WeakPolarHBondContact O-CG 3.32Å; A587-T599 HydrophobicContact CB-CG2 3.83Å
588Y76.2Confident78.7Confident141 Ų14197.9 Ų97.955%0.55351%0.505SS*.Hα-helixtrans-71.5-40177-171.5-100.2000113.1E584 M585 K586 K596E584-Y588 WeakPolarHBondContact O-CB 3.48Å; E584-Y588 PolarHBondContact O-N 3.12Å; M585-Y588 PolarHBondContact O-N 3.03Å; K586-Y588 VanDerWaalsContact C-N 3.29Å; K586-Y588 PolarHBondContact O-N 2.81Å; Y588-K596 VanDerWaalsContact O-CE 3.31Å; Y588-K596 WeakPolarHBondContact O-CE 3.42Å; Y588-K596 PolarHBondContact O-NZ 2.92Å
589V80.4Confident78.2Confident109 Ų10992.9 Ų92.966%0.66148%0.48SS*.Hα-helixtrans-81.6-21.7179.2176.10000112.5M585 K586M585-V589 WeakPolarHBondContact O-CB 3.32Å; M585-V589 VanDerWaalsContact O-CG2 3.29Å; M585-V589 WeakPolarHBondContact O-CG2 3.36Å; M585-V589 PolarHBondContact O-N 3.09Å; M585-V589 VanDerWaalsContact O-N 3.07Å; K586-V589 PolarHBondContact O-N 2.94Å
590S76.4Confident77.7Confident27 Ų2790.4 Ų90.419%0.18947%0.47CS..  trans-51142176.3-172.40000112.1K586 D592 E595 K596K586-S590 WeakPolarHBondContact O-CB 3.41Å; K586-S590 PolarHBondContact O-N 3.5Å; S590-D592 VanDerWaalsContact C-N 3.29Å; S590-D592 PolarHBondContact OG-N 2.87Å; S590-E595 VanDerWaalsContact CB-OE2 3.31Å; S590-E595 WeakPolarHBondContact CB-OE2 3.34Å; S590-E595 PolarHBondContact OG-OE2 3.49Å; S590-K596 WeakPolarHBondContact O-CE 3.36Å; S590-K596 PolarHBondContact O-NZ 3.5Å
591S70.8Confident77.5Confident119 Ų11990.7 Ų90.783%0.83247%0.471SS*.SBendtrans-80.1-11.9177.5-53.60000113.1P593S591-P593 WeakPolarHBondContact O-CD 3.34Å
592D76.8Confident77.3Confident74 Ų7491.7 Ų91.740%0.39647%0.465SS..  trans-80.4118-179.1-173.7-12.9000111.6S590 Q594 E595 K596S590-D592 VanDerWaalsContact C-N 3.29Å; S590-D592 PolarHBondContact OG-N 2.87Å; D592-Q594 PolarHBondContact O-N 3.12Å; D592-Q594 VanDerWaalsContact O-N 3.09Å; D592-Q594 VanDerWaalsContact OD1-CB 3.26Å; D592-Q594 WeakPolarHBondContact OD1-CB 3.46Å; D592-Q594 PolarHBondContact OD1-N 3.47Å; D592-E595 HydrophobicContact CB-CB 4.35Å; D592-E595 HydrophobicContact CB-CG 4.14Å; D592-E595 PolarHBondContact O-N 2.87Å; D592-E595 VanDerWaalsContact O-N 3.16Å; D592-K596 PolarHBondContact O-N 2.89Å
593P70.5Confident77.1Confident89 Ų8992.5 Ų92.558%0.57847%0.466SS*.Hα-helixtrans-58.9-19.8175.4-22.634.2000114.4S591 K597S591-P593 WeakPolarHBondContact O-CD 3.34Å; P593-K597 WeakPolarHBondContact O-CG 3.24Å
594Q71.5Confident77.2Confident144 Ų14497.6 Ų97.667%0.67347%0.474SS*.Hα-helixtrans-89.8-16.6-177.3-149.8151.3-28.500112.6D592D592-Q594 PolarHBondContact O-N 3.12Å; D592-Q594 VanDerWaalsContact O-N 3.09Å; D592-Q594 VanDerWaalsContact OD1-CB 3.26Å; D592-Q594 WeakPolarHBondContact OD1-CB 3.46Å; D592-Q594 PolarHBondContact OD1-N 3.47Å
595E68.8Low77.3Confident79 Ų79100.4 Ų100.437%0.36949%0.489SS..Hα-helixtrans-84.9-36.2167.4-67.9-157.3129.900112.7S590 D592 K597 K598S590-E595 VanDerWaalsContact CB-OE2 3.31Å; S590-E595 WeakPolarHBondContact CB-OE2 3.34Å; S590-E595 PolarHBondContact OG-OE2 3.49Å; D592-E595 HydrophobicContact CB-CB 4.35Å; D592-E595 HydrophobicContact CB-CG 4.14Å; D592-E595 PolarHBondContact O-N 2.87Å; D592-E595 VanDerWaalsContact O-N 3.16Å; E595-K597 PolarHBondContact O-N 3.33Å; E595-K598 WeakPolarHBondContact O-CA 3.37Å; E595-K598 WeakPolarHBondContact O-CB 3.06Å; E595-K598 PolarHBondContact O-N 3.01Å
596K69.9Low77.6Confident76 Ų7699.9 Ų99.933%0.3348%0.483SS..Hα-helixtrans-57.3-38.6174.7-65.2-167.1-176.3-159.30112.5A587 Y588 S590 D592 K598 T599 E602A587-K596 WeakPolarHBondContact O-CG 3.32Å; Y588-K596 VanDerWaalsContact O-CE 3.31Å; Y588-K596 WeakPolarHBondContact O-CE 3.42Å; Y588-K596 PolarHBondContact O-NZ 2.92Å; S590-K596 WeakPolarHBondContact O-CE 3.36Å; S590-K596 PolarHBondContact O-NZ 3.5Å; D592-K596 PolarHBondContact O-N 2.89Å; K596-K598 PolarHBondContact O-N 3.41Å; K596-K598 VanDerWaalsContact O-N 3.08Å; K596-T599 WeakPolarHBondContact O-CB 3.49Å; K596-T599 VanDerWaalsContact O-CG2 3.28Å; K596-T599 WeakPolarHBondContact O-CG2 3.41Å; K596-T599 PolarHBondContact O-N 3.22Å; K596-T599 PolarHBondContact O-OG1 3.15Å; K596-E602 VanDerWaalsContact O-CD 3.27Å
597K71.4Confident77.8Confident142 Ų14295.6 Ų95.662%0.61747%0.467SS*.THydrogen-bonded Turntrans-62.4-11.1172.6-71.4176.9-176.7179.20115.5P593 E595 E602P593-K597 WeakPolarHBondContact O-CG 3.24Å; E595-K597 PolarHBondContact O-N 3.33Å; K597-E602 VanDerWaalsContact CA-OE2 3.26Å; K597-E602 WeakPolarHBondContact CA-OE2 3.4Å; K597-E602 WeakPolarHBondContact CG-OE2 3.43Å; K597-E602 PolarHBondContact N-OE2 2.91Å
598K74.8Confident78.3Confident143 Ų14399.1 Ų99.162%0.62248%0.483SS*.THydrogen-bonded Turntrans-96.3-4.7173.4-55.8174.2-170.5166.20112.8E595 K596E595-K598 WeakPolarHBondContact O-CA 3.37Å; E595-K598 WeakPolarHBondContact O-CB 3.06Å; E595-K598 PolarHBondContact O-N 3.01Å; K596-K598 PolarHBondContact O-N 3.41Å; K596-K598 VanDerWaalsContact O-N 3.08Å
599T80.3Confident78.9Confident4 Ų495 Ų953%0.02548%0.478CS..SBendtrans-61.4144.6174.359.60000110.3A587 K596 R601 E602 V603A587-T599 HydrophobicContact CB-CG2 3.83Å; K596-T599 WeakPolarHBondContact O-CB 3.49Å; K596-T599 VanDerWaalsContact O-CG2 3.28Å; K596-T599 WeakPolarHBondContact O-CG2 3.41Å; K596-T599 PolarHBondContact O-N 3.22Å; K596-T599 PolarHBondContact O-OG1 3.15Å; T599-R601 PolarHBondContact O-N 3Å; T599-E602 PolarHBondContact O-N 2.99Å; T599-E602 VanDerWaalsContact O-N 3.11Å; T599-E602 WeakPolarHBondContact OG1-CB 3.44Å; T599-E602 WeakPolarHBondContact OG1-CG 3.41Å; T599-E602 PolarHBondContact OG1-N 3.28Å; T599-V603 WeakPolarHBondContact O-CG2 3.37Å; T599-V603 PolarHBondContact O-N 2.83Å
600I78.1Confident79.3Confident77 Ų7794.1 Ų94.140%0.39547%0.467SS..Hα-helixtrans-63.5-35.6-174.9-64.2171.4000109.3E584 V603 Y604E584-I600 WeakPolarHBondContact OE1-CB 2.78Å; E584-I600 PolarHBondContact OE1-N 3.49Å; I600-V603 PolarHBondContact O-N 3.38Å; I600-Y604 HydrophobicContact CG2-CD2 3.49Å; I600-Y604 VanDerWaalsContact CG2-CD2 3.49Å; I600-Y604 HydrophobicContact CG2-CE2 3.33Å; I600-Y604 VanDerWaalsContact O-CD2 3.25Å; I600-Y604 WeakPolarHBondContact O-CD2 3.45Å; I600-Y604 PolarHBondContact O-N 2.85Å
601R80.8Confident79.8Confident169 Ų16999.1 Ų99.164%0.63849%0.487SS*.Hα-helixtrans-56.1-52.1170-173.6177.6-178.4174.10.8113.9E584 T599 Y604 M605E584-R601 PolarHBondContact OE1-N 3.36Å; T599-R601 PolarHBondContact O-N 3Å; R601-Y604 PolarHBondContact O-N 3.42Å; R601-M605 WeakPolarHBondContact O-CB 3.31Å; R601-M605 WeakPolarHBondContact O-CG 3.32Å; R601-M605 PolarHBondContact O-N 3.2Å
602E80.8Confident80.8Confident80 Ų8098.8 Ų98.837%0.37447%0.472SS..Hα-helixtrans-68.2-36.3-178.7-74.8-173-144.300112K596 K597 T599 M605 K606K596-E602 VanDerWaalsContact O-CD 3.27Å; K597-E602 VanDerWaalsContact CA-OE2 3.26Å; K597-E602 WeakPolarHBondContact CA-OE2 3.4Å; K597-E602 WeakPolarHBondContact CG-OE2 3.43Å; K597-E602 PolarHBondContact N-OE2 2.91Å; T599-E602 PolarHBondContact O-N 2.99Å; T599-E602 VanDerWaalsContact O-N 3.11Å; T599-E602 WeakPolarHBondContact OG1-CB 3.44Å; T599-E602 WeakPolarHBondContact OG1-CG 3.41Å; T599-E602 PolarHBondContact OG1-N 3.28Å; E602-M605 PolarHBondContact O-N 2.97Å; E602-K606 WeakPolarHBondContact O-CB 3.47Å; E602-K606 PolarHBondContact O-N 3.5Å
603V83Confident81.5Confident59 Ų5999.8 Ų99.836%0.35848%0.477SS..Hα-helixtrans-62.6-46.3173.81740000111.3T599 I600 K606 N607T599-V603 WeakPolarHBondContact O-CG2 3.37Å; T599-V603 PolarHBondContact O-N 2.83Å; I600-V603 PolarHBondContact O-N 3.38Å; V603-K606 PolarHBondContact O-N 2.81Å; V603-N607 PolarHBondContact O-N 3.4Å; V603-N607 PolarHBondContact O-OD1 3.21Å
604Y84.1Confident82.5Confident146 Ų14699.2 Ų99.257%0.57347%0.469SS*.Hα-helixtrans-67.6-39176.6-80.2-57.6000112.9I600 R601 K606 N607 I608I600-Y604 HydrophobicContact CG2-CD2 3.49Å; I600-Y604 VanDerWaalsContact CG2-CD2 3.49Å; I600-Y604 HydrophobicContact CG2-CE2 3.33Å; I600-Y604 VanDerWaalsContact O-CD2 3.25Å; I600-Y604 WeakPolarHBondContact O-CD2 3.45Å; I600-Y604 PolarHBondContact O-N 2.85Å; R601-Y604 PolarHBondContact O-N 3.42Å; Y604-K606 VanDerWaalsContact C-N 3.3Å; Y604-K606 PolarHBondContact O-N 2.91Å; Y604-N607 PolarHBondContact O-N 3.1Å; Y604-I608 WeakPolarHBondContact O-CB 3.29Å; Y604-I608 VanDerWaalsContact O-CG1 3.24Å; Y604-I608 WeakPolarHBondContact O-CG1 3.39Å; Y604-I608 PolarHBondContact O-N 3.47Å
605M86.2Confident83.2Confident120 Ų12093.5 Ų93.559%0.59145%0.449SS*.Hα-helixtrans-61.9-38.7174.5-69.3-73.2-84.800111.6R601 E602 A609R601-M605 WeakPolarHBondContact O-CB 3.31Å; R601-M605 WeakPolarHBondContact O-CG 3.32Å; R601-M605 PolarHBondContact O-N 3.2Å; E602-M605 PolarHBondContact O-N 2.97Å; M605-A609 WeakPolarHBondContact O-CB 3.31Å; M605-A609 PolarHBondContact O-N 2.97Å
606K87.2Confident84.3Confident125 Ų12595.1 Ų95.154%0.54346%0.455SS..Hα-helixtrans-63.6-47.8172.5-171.6-178.5-177.6-97.30111.7E602 V603 Y604 I608 A609 E610E602-K606 WeakPolarHBondContact O-CB 3.47Å; E602-K606 PolarHBondContact O-N 3.5Å; V603-K606 PolarHBondContact O-N 2.81Å; Y604-K606 VanDerWaalsContact C-N 3.3Å; Y604-K606 PolarHBondContact O-N 2.91Å; K606-I608 VanDerWaalsContact C-N 3.31Å; K606-I608 PolarHBondContact O-N 3.35Å; K606-A609 PolarHBondContact O-N 3.44Å; K606-E610 VanDerWaalsContact CE-OE1 3.31Å; K606-E610 WeakPolarHBondContact CE-OE1 3.43Å; K606-E610 IonicContact NZ-OE1 3.12Å; K606-E610 PolarHBondContact NZ-OE1 3.39Å; K606-E610 WeakPolarHBondContact O-CG 3.38Å; K606-E610 PolarHBondContact O-N 3.09Å
607N86.9Confident85.3Confident69 Ų6996.6 Ų96.637%0.36946%0.461SS..Hα-helixtrans-62.3-38.3178.8-67.6-8.7000111.9V603 Y604 E610 Q611V603-N607 PolarHBondContact O-N 3.4Å; V603-N607 PolarHBondContact O-OD1 3.21Å; Y604-N607 PolarHBondContact O-N 3.1Å; N607-E610 PolarHBondContact O-N 2.92Å; N607-Q611 WeakPolarHBondContact O-CB 3.5Å; N607-Q611 VanDerWaalsContact O-CG 3.28Å; N607-Q611 WeakPolarHBondContact O-CG 3.3Å; N607-Q611 PolarHBondContact O-N 3.42Å
608I88.8Confident86.1Confident89 Ų8994.2 Ų94.246%0.45646%0.455SS..Hα-helixtrans-62.5-49.1173.3-70.5163000110.1Y604 K606 E610 Q611 E612Y604-I608 WeakPolarHBondContact O-CB 3.29Å; Y604-I608 VanDerWaalsContact O-CG1 3.24Å; Y604-I608 WeakPolarHBondContact O-CG1 3.39Å; Y604-I608 PolarHBondContact O-N 3.47Å; K606-I608 VanDerWaalsContact C-N 3.31Å; K606-I608 PolarHBondContact O-N 3.35Å; I608-E610 VanDerWaalsContact C-N 3.32Å; I608-E610 PolarHBondContact O-N 3.42Å; I608-Q611 PolarHBondContact O-N 2.89Å; I608-E612 HydrophobicContact CG2-CG 4.4Å; I608-E612 WeakPolarHBondContact O-CG 3.5Å; I608-E612 PolarHBondContact O-N 2.98Å
609A89.5Confident86.8Confident54 Ų5494.9 Ų94.945%0.44645%0.453SS..Hα-helixtrans-61.6-37.6178.200000112.8M605 K606 L613M605-A609 WeakPolarHBondContact O-CB 3.31Å; M605-A609 PolarHBondContact O-N 2.97Å; K606-A609 PolarHBondContact O-N 3.44Å; A609-L613 WeakPolarHBondContact O-CB 3.25Å; A609-L613 PolarHBondContact O-N 3.25Å
610E89.8Confident87.2Confident92 Ų92100.7 Ų100.743%0.4348%0.48SS..Hα-helixtrans-65.1-43.1173.6-74.1177.1-173.700112.1K606 N607 I608 L613 L614K606-E610 VanDerWaalsContact CE-OE1 3.31Å; K606-E610 WeakPolarHBondContact CE-OE1 3.43Å; K606-E610 IonicContact NZ-OE1 3.12Å; K606-E610 PolarHBondContact NZ-OE1 3.39Å; K606-E610 WeakPolarHBondContact O-CG 3.38Å; K606-E610 PolarHBondContact O-N 3.09Å; N607-E610 PolarHBondContact O-N 2.92Å; I608-E610 VanDerWaalsContact C-N 3.32Å; I608-E610 PolarHBondContact O-N 3.42Å; E610-L613 PolarHBondContact O-N 3.34Å; E610-L614 WeakPolarHBondContact O-CB 3.27Å; E610-L614 PolarHBondContact O-N 2.86Å
611Q86.8Confident87.6Confident131 Ų131102.5 Ų102.561%0.61249%0.487SS*.Hα-helixtrans-68.3-36.9175.9-71.4-64.9-23.600112.5N607 I608 L614 G615N607-Q611 WeakPolarHBondContact O-CB 3.5Å; N607-Q611 VanDerWaalsContact O-CG 3.28Å; N607-Q611 WeakPolarHBondContact O-CG 3.3Å; N607-Q611 PolarHBondContact O-N 3.42Å; I608-Q611 PolarHBondContact O-N 2.89Å; Q611-L614 PolarHBondContact O-N 2.7Å; Q611-G615 PolarHBondContact O-N 3.05Å
612E90.8Very high87.9Confident112 Ų11299.2 Ų99.252%0.52348%0.479SS..Hα-helixtrans-65.1-40.4172.3-76-174.1-177.700112.1I608 G615 K616I608-E612 HydrophobicContact CG2-CG 4.4Å; I608-E612 WeakPolarHBondContact O-CG 3.5Å; I608-E612 PolarHBondContact O-N 2.98Å; E612-G615 CarbonylContact O-C 3.58Å; E612-G615 PolarHBondContact O-N 3.28Å; E612-K616 WeakPolarHBondContact O-CG 3.42Å; E612-K616 PolarHBondContact O-N 3.42Å
613L91.4Very high88.3Confident95 Ų95101.2 Ų101.250%0.49749%0.486SS..Hα-helixtrans-65.6-44.3175.6-166.899.1000111A609 E610 G615 K616 K617A609-L613 WeakPolarHBondContact O-CB 3.25Å; A609-L613 PolarHBondContact O-N 3.25Å; E610-L613 PolarHBondContact O-N 3.34Å; L613-G615 VanDerWaalsContact C-N 3.34Å; L613-K616 WeakPolarHBondContact O-CB 3.41Å; L613-K616 PolarHBondContact O-N 3.48Å; L613-K616 VanDerWaalsContact O-N 3.17Å; L613-K617 WeakPolarHBondContact O-CG 3.47Å; L613-K617 PolarHBondContact O-N 2.92Å
614L90.8Very high88.5Confident77 Ų77102 Ų10240%0.40349%0.491SS..Hα-helixtrans-60.7-44.5173.6-177.362.8000110.9E610 Q611 K616 K617 L618E610-L614 WeakPolarHBondContact O-CB 3.27Å; E610-L614 PolarHBondContact O-N 2.86Å; Q611-L614 PolarHBondContact O-N 2.7Å; L614-K616 VanDerWaalsContact C-N 3.26Å; L614-K616 PolarHBondContact O-N 3.08Å; L614-K617 PolarHBondContact O-N 3.08Å; L614-L618 HydrophobicContact CD1-CD1 4.28Å; L614-L618 HydrophobicContact CD1-CG 4.28Å; L614-L618 HydrophobicContact CG-CD1 3.97Å; L614-L618 HydrophobicContact CG-CG 4.4Å; L614-L618 WeakPolarHBondContact O-CB 3.28Å; L614-L618 WeakPolarHBondContact O-CG 3.18Å; L614-L618 PolarHBondContact O-N 3.49Å
615G88.1Confident88.5Confident25 Ų2599.5 Ų99.526%0.25849%0.491SS..Hα-helixtrans-65.7-22.8175.200000114.2Q611 E612 L613 R619Q611-G615 PolarHBondContact O-N 3.05Å; E612-G615 CarbonylContact O-C 3.58Å; E612-G615 PolarHBondContact O-N 3.28Å; L613-G615 VanDerWaalsContact C-N 3.34Å; G615-R619 WeakPolarHBondContact O-CG 3.42Å; G615-R619 PolarHBondContact O-NE 2.82Å
616K91.6Very high88.5Confident113 Ų113101.8 Ų101.849%0.49149%0.493SS..Hα-helixtrans-75.4-50.7168.1-74.7170.4-175.31720110.6E612 L613 L614 L618 R619 E620E612-K616 WeakPolarHBondContact O-CG 3.42Å; E612-K616 PolarHBondContact O-N 3.42Å; L613-K616 WeakPolarHBondContact O-CB 3.41Å; L613-K616 PolarHBondContact O-N 3.48Å; L613-K616 VanDerWaalsContact O-N 3.17Å; L614-K616 VanDerWaalsContact C-N 3.26Å; L614-K616 PolarHBondContact O-N 3.08Å; K616-L618 PolarHBondContact O-N 3.04Å; K616-R619 WeakPolarHBondContact O-CA 3.39Å; K616-R619 WeakPolarHBondContact O-CB 3.32Å; K616-R619 PolarHBondContact O-N 2.89Å; K616-E620 PolarHBondContact O-N 3.08Å
617K90.4Very high88.4Confident106 Ų106101.3 Ų101.346%0.46149%0.492SS..Hα-helixtrans-55.6-48177.1-71.2179.3176.5-1750112.7L613 L614 R619 E620 E621L613-K617 WeakPolarHBondContact O-CG 3.47Å; L613-K617 PolarHBondContact O-N 2.92Å; L614-K617 PolarHBondContact O-N 3.08Å; K617-R619 PolarHBondContact O-N 3.36Å; K617-E620 CarbonylContact O-C 3.6Å; K617-E620 WeakPolarHBondContact O-CB 3.38Å; K617-E620 PolarHBondContact O-N 3.39Å; K617-E620 VanDerWaalsContact O-N 3.09Å; K617-E621 WeakPolarHBondContact O-CG 3.39Å; K617-E621 PolarHBondContact O-N 2.7Å
618L87.7Confident88.3Confident93 Ų93101.6 Ų101.649%0.48749%0.494SS..Hα-helixtrans-63.5-28.7177.8-69.7171.9000112.8L614 K616 Q622L614-L618 HydrophobicContact CD1-CD1 4.28Å; L614-L618 HydrophobicContact CD1-CG 4.28Å; L614-L618 HydrophobicContact CG-CD1 3.97Å; L614-L618 HydrophobicContact CG-CG 4.4Å; L614-L618 WeakPolarHBondContact O-CB 3.28Å; L614-L618 WeakPolarHBondContact O-CG 3.18Å; L614-L618 PolarHBondContact O-N 3.49Å; K616-L618 PolarHBondContact O-N 3.04Å; L618-Q622 WeakPolarHBondContact O-CB 3.26Å; L618-Q622 PolarHBondContact O-N 2.82Å
619R90.1Very high88Confident157 Ų157102.4 Ų102.459%0.59250%0.496SS*.Hα-helixtrans-75.4-36172.6-81.5-179.1-74.7-175.1-5.7112.2G615 K616 K617 K623G615-R619 WeakPolarHBondContact O-CG 3.42Å; G615-R619 PolarHBondContact O-NE 2.82Å; K616-R619 WeakPolarHBondContact O-CA 3.39Å; K616-R619 WeakPolarHBondContact O-CB 3.32Å; K616-R619 PolarHBondContact O-N 2.89Å; K617-R619 PolarHBondContact O-N 3.36Å; R619-K623 WeakPolarHBondContact O-CB 3.45Å; R619-K623 PolarHBondContact O-N 3.28Å
620E88.6Confident87.7Confident125 Ų125103.2 Ų103.258%0.58450%0.498SS*.Hα-helixtrans-66.2-48.1172.2-70.8167.5177.300110.7K616 K617 Q622 K623 V624K616-E620 PolarHBondContact O-N 3.08Å; K617-E620 CarbonylContact O-C 3.6Å; K617-E620 WeakPolarHBondContact O-CB 3.38Å; K617-E620 PolarHBondContact O-N 3.39Å; K617-E620 VanDerWaalsContact O-N 3.09Å; E620-Q622 PolarHBondContact O-N 3.12Å; E620-K623 WeakPolarHBondContact O-CB 3.32Å; E620-K623 PolarHBondContact O-N 2.89Å; E620-K623 VanDerWaalsContact O-N 3.09Å; E620-V624 WeakPolarHBondContact O-CG2 3.35Å; E620-V624 PolarHBondContact O-N 3.45Å
621E86.8Confident87.4Confident115 Ų115101.3 Ų101.354%0.53750%0.498SS..Hα-helixtrans-58.6-45.2173.3-72173.5-173.400111.7K617 K623 V624 V625K617-E621 WeakPolarHBondContact O-CG 3.39Å; K617-E621 PolarHBondContact O-N 2.7Å; E621-K623 VanDerWaalsContact C-N 3.3Å; E621-K623 PolarHBondContact O-N 2.69Å; E621-V624 PolarHBondContact O-N 2.73Å; E621-V625 WeakPolarHBondContact O-CB 3.42Å; E621-V625 VanDerWaalsContact O-CG2 3.29Å; E621-V625 WeakPolarHBondContact O-CG2 3.49Å; E621-V625 PolarHBondContact O-N 3.09Å
622Q87Confident87.2Confident101 Ų10199.2 Ų99.247%0.47249%0.491SS..Hα-helixtrans-60.8-38.7174.2-176-178.755.900112L618 E620 R626L618-Q622 WeakPolarHBondContact O-CB 3.26Å; L618-Q622 PolarHBondContact O-N 2.82Å; E620-Q622 PolarHBondContact O-N 3.12Å; Q622-R626 WeakPolarHBondContact O-CG 3.17Å; Q622-R626 PolarHBondContact O-N 3.3Å
623K89.7Confident86.9Confident122 Ų12298.9 Ų98.953%0.5349%0.491SS..Hα-helixtrans-65.1-49.7176.5-178.7-177.8169.2-174.20110.8R619 E620 E621 V625 R626 E627R619-K623 WeakPolarHBondContact O-CB 3.45Å; R619-K623 PolarHBondContact O-N 3.28Å; E620-K623 WeakPolarHBondContact O-CB 3.32Å; E620-K623 PolarHBondContact O-N 2.89Å; E620-K623 VanDerWaalsContact O-N 3.09Å; E621-K623 VanDerWaalsContact C-N 3.3Å; E621-K623 PolarHBondContact O-N 2.69Å; K623-V625 VanDerWaalsContact C-N 3.31Å; K623-V625 PolarHBondContact O-N 3.26Å; K623-R626 PolarHBondContact O-N 3.19Å; K623-R626 VanDerWaalsContact O-N 3.12Å; K623-E627 VanDerWaalsContact CE-CD 3.41Å; K623-E627 WeakPolarHBondContact CE-OE1 3.39Å; K623-E627 WeakPolarHBondContact CE-OE2 3.46Å; K623-E627 HydrophobicContact CG-CG 4.38Å; K623-E627 IonicContact NZ-OE1 3.59Å; K623-E627 WeakPolarHBondContact O-CB 3.37Å; K623-E627 WeakPolarHBondContact O-CG 3.13Å; K623-E627 PolarHBondContact O-N 3.47Å
624V87.2Confident86.5Confident74 Ų74100.5 Ų100.545%0.44850%0.496SS..Hα-helixtrans-58-42.7175.8173.80000111.4E620 E621 E627 N628E620-V624 WeakPolarHBondContact O-CG2 3.35Å; E620-V624 PolarHBondContact O-N 3.45Å; E621-V624 PolarHBondContact O-N 2.73Å; V624-E627 PolarHBondContact O-N 2.87Å; V624-N628 WeakPolarHBondContact CG1-ND2 3.41Å; V624-N628 VanDerWaalsContact O-CB 3.28Å; V624-N628 WeakPolarHBondContact O-CB 3.34Å; V624-N628 PolarHBondContact O-N 3.32Å; V624-N628 PolarHBondContact O-ND2 3.1Å
625V84.1Confident86.2Confident95 Ų95101.4 Ų101.458%0.57650%0.498SS*.Hα-helixtrans-64.3-40176.1169.30000111.7E621 K623 H629E621-V625 WeakPolarHBondContact O-CB 3.42Å; E621-V625 VanDerWaalsContact O-CG2 3.29Å; E621-V625 WeakPolarHBondContact O-CG2 3.49Å; E621-V625 PolarHBondContact O-N 3.09Å; K623-V625 VanDerWaalsContact C-N 3.31Å; K623-V625 PolarHBondContact O-N 3.26Å; V625-H629 WeakPolarHBondContact O-CA 3.38Å; V625-H629 VanDerWaalsContact O-CB 3.29Å; V625-H629 WeakPolarHBondContact O-CB 3.11Å; V625-H629 PolarHBondContact O-N 3.04Å
626R84.6Confident86Confident168 Ų168105 Ų10563%0.63451%0.509SS*.Hα-helixtrans-67.5-45.7175.8-75.1-179.3-167.8-172.78.3112.5Q622 K623 N628 H629Q622-R626 WeakPolarHBondContact O-CG 3.17Å; Q622-R626 PolarHBondContact O-N 3.3Å; K623-R626 PolarHBondContact O-N 3.19Å; K623-R626 VanDerWaalsContact O-N 3.12Å; R626-N628 VanDerWaalsContact C-N 3.33Å; R626-N628 PolarHBondContact O-N 2.94Å; R626-H629 WeakPolarHBondContact O-CB 3.47Å; R626-H629 PolarHBondContact O-N 2.91Å
627E86.8Confident85.8Confident114 Ų114104.3 Ų104.353%0.53351%0.508SS..Hα-helixtrans-64.6-38.4-179.6-72.4174.9159.700111.3K623 V624K623-E627 VanDerWaalsContact CE-CD 3.41Å; K623-E627 WeakPolarHBondContact CE-OE1 3.39Å; K623-E627 WeakPolarHBondContact CE-OE2 3.46Å; K623-E627 HydrophobicContact CG-CG 4.38Å; K623-E627 IonicContact NZ-OE1 3.59Å; K623-E627 WeakPolarHBondContact O-CB 3.37Å; K623-E627 WeakPolarHBondContact O-CG 3.13Å; K623-E627 PolarHBondContact O-N 3.47Å; V624-E627 PolarHBondContact O-N 2.87Å
628N83.4Confident85.7Confident76 Ų76104.9 Ų104.941%0.40651%0.514SS..THydrogen-bonded Turntrans-86.4-3.2176.2-63.7-27000113.7V624 R626 S630 N632V624-N628 WeakPolarHBondContact CG1-ND2 3.41Å; V624-N628 VanDerWaalsContact O-CB 3.28Å; V624-N628 WeakPolarHBondContact O-CB 3.34Å; V624-N628 PolarHBondContact O-N 3.32Å; V624-N628 PolarHBondContact O-ND2 3.1Å; R626-N628 VanDerWaalsContact C-N 3.33Å; R626-N628 PolarHBondContact O-N 2.94Å; N628-S630 PolarHBondContact O-N 2.86Å; N628-N632 WeakPolarHBondContact O-CB 3.49Å; N628-N632 PolarHBondContact O-N 3.11Å; N628-N632 PolarHBondContact O-ND2 3.4Å
629H83.3Confident85.7Confident106 Ų106108 Ų10849%0.49152%0.519SS..Hα-helixtrans-63.9-45.7-172.5-17456.4000112.3V625 R626 M633V625-H629 WeakPolarHBondContact O-CA 3.38Å; V625-H629 VanDerWaalsContact O-CB 3.29Å; V625-H629 WeakPolarHBondContact O-CB 3.11Å; V625-H629 PolarHBondContact O-N 3.04Å; R626-H629 WeakPolarHBondContact O-CB 3.47Å; R626-H629 PolarHBondContact O-N 2.91Å; H629-M633 WeakPolarHBondContact O-CB 3.35Å; H629-M633 WeakPolarHBondContact O-CG 3.46Å; H629-M633 PolarHBondContact O-N 3.08Å
630S82.6Confident85.5Confident71 Ų71106.5 Ų106.550%0.49751%0.513SS..Hα-helixtrans-62.4-53.2177.646.30000111.3N628 N632 M633 E634N628-S630 PolarHBondContact O-N 2.86Å; S630-N632 VanDerWaalsContact C-N 3.33Å; S630-N632 PolarHBondContact O-N 3.24Å; S630-M633 PolarHBondContact O-N 3.39Å; S630-M633 VanDerWaalsContact O-N 3.1Å; S630-E634 WeakPolarHBondContact O-CG 3.5Å; S630-E634 PolarHBondContact O-N 3.24Å
631A82.8Confident85.5Confident51 Ų51103.8 Ų103.842%0.42150%0.503SS..Hα-helixtrans-59.4-41.3179.800000112.5Q635A631-Q635 WeakPolarHBondContact O-CB 3.29Å; A631-Q635 PolarHBondContact O-N 3.33Å
632N83.4Confident85.6Confident88 Ų88102.4 Ų102.447%0.47150%0.499SS..Hα-helixtrans-69.6-34.4176.4-71.5-14.8000112.3N628 S630 Q635 M636N628-N632 WeakPolarHBondContact O-CB 3.49Å; N628-N632 PolarHBondContact O-N 3.11Å; N628-N632 PolarHBondContact O-ND2 3.4Å; S630-N632 VanDerWaalsContact C-N 3.33Å; S630-N632 PolarHBondContact O-N 3.24Å; N632-Q635 PolarHBondContact O-N 3.49Å; N632-M636 VanDerWaalsContact O-CB 3.29Å; N632-M636 WeakPolarHBondContact O-CB 3.4Å; N632-M636 PolarHBondContact O-N 2.88Å
633M83.9Confident85.6Confident105 Ų105104.1 Ų104.152%0.51751%0.507SS..Hα-helixtrans-71.1-40.5175.4-72.5-71.4-103.300111.6H629 S630 M636 Q637H629-M633 WeakPolarHBondContact O-CB 3.35Å; H629-M633 WeakPolarHBondContact O-CG 3.46Å; H629-M633 PolarHBondContact O-N 3.08Å; S630-M633 PolarHBondContact O-N 3.39Å; S630-M633 VanDerWaalsContact O-N 3.1Å; M633-M636 PolarHBondContact O-N 2.87Å; M633-Q637 WeakPolarHBondContact O-CB 3.47Å; M633-Q637 PolarHBondContact O-N 3.24Å
634E84.8Confident85.4Confident128 Ų128104.2 Ų104.260%0.59851%0.509SS*.Hα-helixtrans-60.8-44.5170.5-72.8172.2-167.700111.1S630 M636 Q637 M638S630-E634 WeakPolarHBondContact O-CG 3.5Å; S630-E634 PolarHBondContact O-N 3.24Å; E634-M636 PolarHBondContact O-N 2.99Å; E634-Q637 WeakPolarHBondContact O-CB 3.48Å; E634-Q637 PolarHBondContact O-N 3.3Å; E634-M638 WeakPolarHBondContact O-CG 3.44Å; E634-M638 PolarHBondContact O-N 3.29Å
635Q83.8Confident85.5Confident97 Ų97106.5 Ų106.545%0.45352%0.518SS..Hα-helixtrans-63.9-41175.5-161.2-172.917.100112A631 N632 Q637 M638 W639A631-Q635 WeakPolarHBondContact O-CB 3.29Å; A631-Q635 PolarHBondContact O-N 3.33Å; N632-Q635 PolarHBondContact O-N 3.49Å; Q635-Q637 VanDerWaalsContact C-N 3.33Å; Q635-M638 HydrophobicContact CB-CE 4.46Å; Q635-M638 PolarHBondContact O-N 3.39Å; Q635-W639 PolarHBondContact O-N 3.34Å
636M84.6Confident85.7Confident99 Ų99107.5 Ų107.549%0.48852%0.518SS..Hα-helixtrans-65.8-36.6176.1-165.4-176.2-152.400111.9N632 M633 E634 W639 R640N632-M636 VanDerWaalsContact O-CB 3.29Å; N632-M636 WeakPolarHBondContact O-CB 3.4Å; N632-M636 PolarHBondContact O-N 2.88Å; M633-M636 PolarHBondContact O-N 2.87Å; E634-M636 PolarHBondContact O-N 2.99Å; M636-W639 PolarHBondContact O-N 3.05Å; M636-R640 WeakPolarHBondContact O-CG 3.4Å; M636-R640 PolarHBondContact O-N 3.18Å
637Q87.3Confident85.7Confident99 Ų99102.5 Ų102.546%0.46350%0.502SS..Hα-helixtrans-63.2-50.6172.9-170.566.542.200110.2M633 E634 Q635 W639 R640 D641M633-Q637 WeakPolarHBondContact O-CB 3.47Å; M633-Q637 PolarHBondContact O-N 3.24Å; E634-Q637 WeakPolarHBondContact O-CB 3.48Å; E634-Q637 PolarHBondContact O-N 3.3Å; Q635-Q637 VanDerWaalsContact C-N 3.33Å; Q637-W639 VanDerWaalsContact C-N 3.3Å; Q637-W639 PolarHBondContact O-N 2.83Å; Q637-R640 WeakPolarHBondContact O-CB 3.38Å; Q637-R640 PolarHBondContact O-N 2.99Å; Q637-R640 VanDerWaalsContact O-N 3.08Å; Q637-D641 PolarHBondContact NE2-OD1 3.21Å; Q637-D641 VanDerWaalsContact NE2-OD1 3.1Å; Q637-D641 PolarHBondContact O-N 3.07Å
638M86.8Confident85.5Confident119 Ų119100.5 Ų100.559%0.58650%0.499SS*.Hα-helixtrans-58.1-38.6176-71.6-172.1-70.300113E634 Q635 D641 L642E634-M638 WeakPolarHBondContact O-CG 3.44Å; E634-M638 PolarHBondContact O-N 3.29Å; Q635-M638 HydrophobicContact CB-CE 4.46Å; Q635-M638 PolarHBondContact O-N 3.39Å; M638-D641 PolarHBondContact O-N 3.08Å; M638-L642 WeakPolarHBondContact O-CB 3.37Å; M638-L642 PolarHBondContact O-N 2.89Å
639W87.6Confident85.6Confident159 Ų159103.9 Ų103.960%0.60251%0.511SS*.Hα-helixtrans-67.2-39.3174.6-80.9117.5000112.9Q635 M636 Q637 L642 E643Q635-W639 PolarHBondContact O-N 3.34Å; M636-W639 PolarHBondContact O-N 3.05Å; Q637-W639 VanDerWaalsContact C-N 3.3Å; Q637-W639 PolarHBondContact O-N 2.83Å; W639-L642 HydrophobicContact CE3-CD2 3.65Å; W639-L642 HydrophobicContact CZ3-CD2 3.52Å; W639-L642 PolarHBondContact O-N 2.88Å; W639-E643 WeakPolarHBondContact O-CB 3.04Å; W639-E643 PolarHBondContact O-N 3.25Å
640R86.9Confident85.7Confident125 Ų125105.4 Ų105.447%0.47251%0.512SS..Hα-helixtrans-66.3-40.4173.6-74.5176.7-178.5-175.33.3111.9M636 Q637 L642 E643 Q644M636-R640 WeakPolarHBondContact O-CG 3.4Å; M636-R640 PolarHBondContact O-N 3.18Å; Q637-R640 WeakPolarHBondContact O-CB 3.38Å; Q637-R640 PolarHBondContact O-N 2.99Å; Q637-R640 VanDerWaalsContact O-N 3.08Å; R640-L642 VanDerWaalsContact C-N 3.33Å; R640-E643 PolarHBondContact O-N 3.32Å; R640-Q644 WeakPolarHBondContact O-CB 3.37Å; R640-Q644 WeakPolarHBondContact O-CG 3.43Å; R640-Q644 PolarHBondContact O-N 2.97Å
641D88.6Confident85.7Confident67 Ų67106.1 Ų106.136%0.35851%0.507SS..Hα-helixtrans-67.5-37178.2-61.5-16.1000110.4Q637 M638 L645Q637-D641 PolarHBondContact NE2-OD1 3.21Å; Q637-D641 VanDerWaalsContact NE2-OD1 3.1Å; Q637-D641 PolarHBondContact O-N 3.07Å; M638-D641 PolarHBondContact O-N 3.08Å; D641-L645 WeakPolarHBondContact O-CB 3.38Å; D641-L645 PolarHBondContact O-N 2.9Å
642L88.8Confident85.7Confident87 Ų87107.8 Ų107.846%0.45552%0.515SS..Hα-helixtrans-63.9-45.4170.1-171.486.6000111.9M638 W639 R640 L645 M646M638-L642 WeakPolarHBondContact O-CB 3.37Å; M638-L642 PolarHBondContact O-N 2.89Å; W639-L642 HydrophobicContact CE3-CD2 3.65Å; W639-L642 HydrophobicContact CZ3-CD2 3.52Å; W639-L642 PolarHBondContact O-N 2.88Å; R640-L642 VanDerWaalsContact C-N 3.33Å; L642-L645 WeakPolarHBondContact O-CB 3.44Å; L642-L645 PolarHBondContact O-N 3.21Å; L642-M646 HydrophobicContact CG-CG 4.49Å; L642-M646 WeakPolarHBondContact O-CB 3.41Å; L642-M646 VanDerWaalsContact O-CG 3.27Å; L642-M646 WeakPolarHBondContact O-CG 3.38Å; L642-M646 PolarHBondContact O-N 2.91Å
643E86.6Confident85.4Confident137 Ų137110.2 Ų110.264%0.6452%0.522SS*.Hα-helixtrans-61-44.7177.5-175.1175.8-154.600111W639 R640 M646 E647W639-E643 WeakPolarHBondContact O-CB 3.04Å; W639-E643 PolarHBondContact O-N 3.25Å; R640-E643 PolarHBondContact O-N 3.32Å; E643-M646 PolarHBondContact O-N 2.74Å; E643-E647 WeakPolarHBondContact O-CB 3.33Å; E643-E647 PolarHBondContact O-N 2.92Å
644Q86.4Confident85.1Confident124 Ų124108.2 Ų108.258%0.57951%0.512SS*.Hα-helixtrans-62.4-41.9172.8-72.5178.129.600112.3R640 E647 C648R640-Q644 WeakPolarHBondContact O-CB 3.37Å; R640-Q644 WeakPolarHBondContact O-CG 3.43Å; R640-Q644 PolarHBondContact O-N 2.97Å; Q644-E647 PolarHBondContact O-N 3.46Å; Q644-C648 VanDerWaalsContact O-CB 3.25Å; Q644-C648 WeakPolarHBondContact O-CB 3.37Å; Q644-C648 PolarHBondContact O-N 3.48Å; Q644-C648 PolarHBondContact O-SG 3.39Å
645L88.6Confident84.7Confident121 Ų121108.4 Ų108.463%0.63451%0.511SS*.Hα-helixtrans-62-41.7174.6-96.6164.5000112.2D641 L642 K649D641-L645 WeakPolarHBondContact O-CB 3.38Å; D641-L645 PolarHBondContact O-N 2.9Å; L642-L645 WeakPolarHBondContact O-CB 3.44Å; L642-L645 PolarHBondContact O-N 3.21Å; L645-K649 VanDerWaalsContact O-CB 3.22Å; L645-K649 WeakPolarHBondContact O-CB 3.4Å; L645-K649 PolarHBondContact O-N 3.01Å
646M87.2Confident84.2Confident117 Ų117106.3 Ų106.358%0.57651%0.51SS*.Hα-helixtrans-70.7-37.6178.6-70.7-67.7-80.600111.7L642 E643 K649 R650L642-M646 HydrophobicContact CG-CG 4.49Å; L642-M646 WeakPolarHBondContact O-CB 3.41Å; L642-M646 VanDerWaalsContact O-CG 3.27Å; L642-M646 WeakPolarHBondContact O-CG 3.38Å; L642-M646 PolarHBondContact O-N 2.91Å; E643-M646 PolarHBondContact O-N 2.74Å; M646-K649 PolarHBondContact O-N 2.63Å; M646-R650 WeakPolarHBondContact O-CB 3.48Å; M646-R650 PolarHBondContact O-N 2.99Å
647E85.3Confident83.3Confident63 Ų63106.6 Ų106.629%0.29451%0.51SS..Hα-helixtrans-68.3-44.2173.5179.554.3-155.800111.7E643 Q644 K649 R650 Q651E643-E647 WeakPolarHBondContact O-CB 3.33Å; E643-E647 PolarHBondContact O-N 2.92Å; Q644-E647 PolarHBondContact O-N 3.46Å; E647-K649 VanDerWaalsContact C-N 3.33Å; E647-K649 PolarHBondContact O-N 3.4Å; E647-R650 VanDerWaalsContact CD-NH2 3.28Å; E647-R650 WeakPolarHBondContact O-CB 3.13Å; E647-R650 PolarHBondContact O-N 3.08Å; E647-R650 IonicContact OE1-CZ 3Å; E647-R650 IonicContact OE1-NE 2.6Å; E647-R650 IonicContact OE1-NH2 2.57Å; E647-R650 PolarHBondContact OE1-NH2 3.02Å; E647-R650 IonicContact OE2-CZ 3.73Å; E647-R650 VanDerWaalsContact OE2-CZ 3.25Å; E647-R650 IonicContact OE2-NE 3.91Å; E647-R650 PolarHBondContact OE2-NE 2.66Å; E647-R650 IonicContact OE2-NH2 3.49Å; E647-R650 PolarHBondContact OE2-NH2 2.99Å; E647-Q651 WeakPolarHBondContact O-CB 3.31Å; E647-Q651 WeakPolarHBondContact O-CG 3.22Å; E647-Q651 PolarHBondContact O-N 3.33Å; E647-Q651 PolarHBondContact OE1-NE2 3.22Å
648C83.6Confident82Confident72 Ų72106.5 Ų106.549%0.48651%0.513SS..Hα-helixtrans-59.2-43.4171.2-780000111.5Q644 R650 Q651 C652Q644-C648 VanDerWaalsContact O-CB 3.25Å; Q644-C648 WeakPolarHBondContact O-CB 3.37Å; Q644-C648 PolarHBondContact O-N 3.48Å; Q644-C648 PolarHBondContact O-SG 3.39Å; C648-R650 PolarHBondContact O-N 2.96Å; C648-Q651 PolarHBondContact O-N 3.27Å; C648-C652 WeakPolarHBondContact O-CB 3.31Å; C648-C652 PolarHBondContact O-N 3.5Å; C648-C652 PolarHBondContact O-SG 3.02Å; C648-C652 VanDerWaalsContact O-SG 3.32Å
649K85.4Confident80.6Confident147 Ų147108.9 Ų108.964%0.63952%0.523SS*.Hα-helixtrans-63.2-40.7175.2-173.3175.9-179.1179.30111.6L645 M646 E647 C652 F653L645-K649 VanDerWaalsContact O-CB 3.22Å; L645-K649 WeakPolarHBondContact O-CB 3.4Å; L645-K649 PolarHBondContact O-N 3.01Å; M646-K649 PolarHBondContact O-N 2.63Å; E647-K649 VanDerWaalsContact C-N 3.33Å; E647-K649 PolarHBondContact O-N 3.4Å; K649-C652 PolarHBondContact O-N 3.48Å; K649-F653 WeakPolarHBondContact O-CB 3.3Å; K649-F653 PolarHBondContact O-N 3.04Å
650R84.7Confident79.1Confident138 Ų138107.3 Ų107.352%0.52153%0.53SS..Hα-helixtrans-62.1-46.1174.2-169.7-17974.3108.12.8111.2M646 E647 C648 F653 I654M646-R650 WeakPolarHBondContact O-CB 3.48Å; M646-R650 PolarHBondContact O-N 2.99Å; E647-R650 VanDerWaalsContact CD-NH2 3.28Å; E647-R650 WeakPolarHBondContact O-CB 3.13Å; E647-R650 PolarHBondContact O-N 3.08Å; E647-R650 IonicContact OE1-CZ 3Å; E647-R650 IonicContact OE1-NE 2.6Å; E647-R650 IonicContact OE1-NH2 2.57Å; E647-R650 PolarHBondContact OE1-NH2 3.02Å; E647-R650 IonicContact OE2-CZ 3.73Å; E647-R650 VanDerWaalsContact OE2-CZ 3.25Å; E647-R650 IonicContact OE2-NE 3.91Å; E647-R650 PolarHBondContact OE2-NE 2.66Å; E647-R650 IonicContact OE2-NH2 3.49Å; E647-R650 PolarHBondContact OE2-NH2 2.99Å; C648-R650 PolarHBondContact O-N 2.96Å; R650-F653 PolarHBondContact O-N 3.02Å; R650-I654 HydrophobicContact CG-CD1 4Å; R650-I654 WeakPolarHBondContact O-CB 3.49Å; R650-I654 VanDerWaalsContact O-CG1 3.27Å; R650-I654 WeakPolarHBondContact O-CG1 3.43Å; R650-I654 PolarHBondContact O-N 3.47Å
651Q83.3Confident77.3Confident86 Ų86105.2 Ų105.240%0.40254%0.535SS..Hα-helixtrans-65.8-40.1177.3-70.5178.921.600112.6E647 C648 I654 K655E647-Q651 WeakPolarHBondContact O-CB 3.31Å; E647-Q651 WeakPolarHBondContact O-CG 3.22Å; E647-Q651 PolarHBondContact O-N 3.33Å; E647-Q651 PolarHBondContact OE1-NE2 3.22Å; C648-Q651 PolarHBondContact O-N 3.27Å; Q651-I654 PolarHBondContact O-N 3.16Å; Q651-K655 WeakPolarHBondContact O-CB 3.4Å; Q651-K655 VanDerWaalsContact O-CG 3.31Å; Q651-K655 WeakPolarHBondContact O-CG 3.48Å; Q651-K655 PolarHBondContact O-N 3.43Å
652C81.4Confident75.3Confident85 Ų85109.2 Ų109.257%0.57455%0.554SS**Hα-helixtrans-64.3-41172.9-73.40000111.8C648 K649 K655 A656C648-C652 WeakPolarHBondContact O-CB 3.31Å; C648-C652 PolarHBondContact O-N 3.5Å; C648-C652 PolarHBondContact O-SG 3.02Å; C648-C652 VanDerWaalsContact O-SG 3.32Å; K649-C652 PolarHBondContact O-N 3.48Å; C652-K655 PolarHBondContact O-N 3.37Å; C652-A656 WeakPolarHBondContact O-CB 3.36Å; C652-A656 PolarHBondContact O-N 2.98Å
653F78.4Confident73Confident140 Ų140108.5 Ų108.561%0.61457%0.568SS**Hα-helixtrans-63.3-45.9175.3-170.3-91.8000111.7K649 R650 K655 A656 Q657K649-F653 WeakPolarHBondContact O-CB 3.3Å; K649-F653 PolarHBondContact O-N 3.04Å; R650-F653 PolarHBondContact O-N 3.02Å; F653-K655 PolarHBondContact O-N 2.87Å; F653-A656 PolarHBondContact O-N 3.34Å; F653-Q657 VanDerWaalsContact O-CB 3.32Å; F653-Q657 WeakPolarHBondContact O-CB 3.49Å; F653-Q657 PolarHBondContact O-N 2.9Å
654I78.1Confident70.8Confident63 Ų63110.8 Ų110.832%0.32358%0.579SS.*Hα-helixtrans-61.6-42.3175.1-68.8164.8000111.1R650 Q651 Q657 N658R650-I654 HydrophobicContact CG-CD1 4Å; R650-I654 WeakPolarHBondContact O-CB 3.49Å; R650-I654 VanDerWaalsContact O-CG1 3.27Å; R650-I654 WeakPolarHBondContact O-CG1 3.43Å; R650-I654 PolarHBondContact O-N 3.47Å; Q651-I654 PolarHBondContact O-N 3.16Å; I654-Q657 PolarHBondContact O-N 3.46Å; I654-N658 VanDerWaalsContact O-CB 3.32Å; I654-N658 WeakPolarHBondContact O-CB 3.03Å; I654-N658 PolarHBondContact O-N 3.11Å; I654-N658 PolarHBondContact O-ND2 2.89Å
655K75.5Confident68.3Low132 Ų132111.5 Ų111.557%0.57459%0.591SS**Hα-helixtrans-63.9-42.7176.3-76.7175.2-178.4176.30112.2Q651 C652 F653 N658 Q659Q651-K655 WeakPolarHBondContact O-CB 3.4Å; Q651-K655 VanDerWaalsContact O-CG 3.31Å; Q651-K655 WeakPolarHBondContact O-CG 3.48Å; Q651-K655 PolarHBondContact O-N 3.43Å; C652-K655 PolarHBondContact O-N 3.37Å; F653-K655 PolarHBondContact O-N 2.87Å; K655-N658 PolarHBondContact O-N 3.26Å; K655-Q659 WeakPolarHBondContact O-CB 3.41Å; K655-Q659 WeakPolarHBondContact O-CG 3.28Å; K655-Q659 PolarHBondContact O-N 2.94Å
656A72.7Confident65.8Low52 Ų52112.8 Ų112.843%0.4360%0.598SS.*Hα-helixtrans-64.2-44.6175.300000111.6C652 F653 N658 Q659 V660C652-A656 WeakPolarHBondContact O-CB 3.36Å; C652-A656 PolarHBondContact O-N 2.98Å; F653-A656 PolarHBondContact O-N 3.34Å; A656-N658 VanDerWaalsContact C-N 3.34Å; A656-N658 PolarHBondContact O-N 2.71Å; A656-Q659 PolarHBondContact O-N 2.99Å; A656-V660 WeakPolarHBondContact O-CG2 3.43Å; A656-V660 PolarHBondContact O-N 3.49Å
657Q65.3Low63.2Low105 Ų105115.5 Ų115.549%0.49161%0.609SS.*Hα-helixtrans-61.6-41.5177.1-167.1171.812.600111.7F653 I654 V660 S661F653-Q657 VanDerWaalsContact O-CB 3.32Å; F653-Q657 WeakPolarHBondContact O-CB 3.49Å; F653-Q657 PolarHBondContact O-N 2.9Å; I654-Q657 PolarHBondContact O-N 3.46Å; Q657-V660 PolarHBondContact O-N 3.38Å; Q657-S661 VanDerWaalsContact O-CB 3.26Å; Q657-S661 WeakPolarHBondContact O-CB 3.48Å; Q657-S661 PolarHBondContact O-N 3.03Å; Q657-S661 VanDerWaalsContact O-N 3.16Å; Q657-S661 PolarHBondContact O-OG 3.03Å
658N61Low60.9Low97 Ų97120.4 Ų120.452%0.51963%0.632SS.*Hα-helixtrans-72.6-30178.2-69.7-8.8000113.1I654 K655 A656I654-N658 VanDerWaalsContact O-CB 3.32Å; I654-N658 WeakPolarHBondContact O-CB 3.03Å; I654-N658 PolarHBondContact O-N 3.11Å; I654-N658 PolarHBondContact O-ND2 2.89Å; K655-N658 PolarHBondContact O-N 3.26Å; A656-N658 VanDerWaalsContact C-N 3.34Å; A656-N658 PolarHBondContact O-N 2.71Å
659Q57.8Low58.8Low170 Ų170121.1 Ų121.179%0.79465%0.651SS**Hα-helixtrans-75.9-25174-77.4-177-22.600113.4K655 A656K655-Q659 WeakPolarHBondContact O-CB 3.41Å; K655-Q659 WeakPolarHBondContact O-CG 3.28Å; K655-Q659 PolarHBondContact O-N 2.94Å; A656-Q659 PolarHBondContact O-N 2.99Å
660V55.6Low57Low126 Ų126117.6 Ų117.676%0.76466%0.656SS**Hα-helixtrans-85.2-16.1174.1175.30000112.4A656 Q657A656-V660 WeakPolarHBondContact O-CG2 3.43Å; A656-V660 PolarHBondContact O-N 3.49Å; Q657-V660 PolarHBondContact O-N 3.38Å
661S49.1Very low54.7Low80 Ų80120.5 Ų120.556%0.55968%0.676SS**SBendtrans-10723-170.7-52.50000115.7Q657Q657-S661 VanDerWaalsContact O-CB 3.26Å; Q657-S661 WeakPolarHBondContact O-CB 3.48Å; Q657-S661 PolarHBondContact O-N 3.03Å; Q657-S661 VanDerWaalsContact O-N 3.16Å; Q657-S661 PolarHBondContact O-OG 3.03Å
662I46Very low52.9Low151 Ų151124.3 Ų124.377%0.77470%0.699SS**  trans-119.771.9169.7-53.9-179.1000109.4
663G41.8Very low50.7Low72 Ų72131.7 Ų131.774%0.74272%0.715SS**  trans-100.9129.9157.500000109.1
664Q39.2Very low48.7Very low185 Ų185133.2 Ų133.286%0.86473%0.728SS**  trans-84.7135-166.7-57.1163.4-7400114.3
665V34Very low46.6Very low139 Ų139136.5 Ų136.584%0.84275%0.751SS**  trans-170.6155.5153.1-110.70000108.8
666I35.5Very low44.9Very low149 Ų149141.8 Ų141.876%0.76478%0.784SS**  cis-139.6153.3-3.7-35.8163.2000107.8
667Q33.1Very low43.5Very low173 Ų173146.3 Ų146.381%0.80880%0.802SS**  trans-151.6100.7138.1-113.4-177-20.800109.8
668E37.6Very low42.4Very low167 Ų167148.5 Ų148.578%0.7882%0.819SS**  81.7107.1101.8-80-170.8137.900113.8
669G40.1Very low41.3Very low87 Ų87151.3 Ų151.390%0.89784%0.835SS**  trans167.120.9177.100000120.6
670G46.3Very low40.4Very low72 Ų72150.2 Ų150.274%0.74284%0.838SS**SBendtrans114.6141.7167.400000116.8
671E36.3Very low39.4Very low200 Ų200151.8 Ų151.894%0.93584%0.842SS**  trans64.8102.3177.2-57.7-163.8163.900117.7R673E671-R673 PolarHBondContact O-N 3.15Å
672D45.8Very low38.8Very low165 Ų165156.5 Ų156.588%0.88286%0.861SS**  trans-64.5122.2169.9-66.9-47.8000112.2
673R35Very low38.2Very low240 Ų240156.9 Ų156.991%0.90687%0.867SS**  trans-148.2118.1138.3-69.1-158.1177.21752112.4E671E671-R673 PolarHBondContact O-N 3.15Å
674L36.2Very low38Very low172 Ų172163.5 Ų163.590%0.90188%0.877SS**  trans-71.3131.9159.8-90.9157.3000110.3
675V35.6Very low37.9Very low133 Ų133161.7 Ų161.781%0.80688%0.878SS**  trans-136.5130.5149.1-174.80000107.5
676L39Very low38.2Very low243 Ų243163.7 Ų163.7100%1.27288%0.881SS**  trans-23.90-177.3-68.6161.4000117.7

Retrieved 676 of 676 residues in 1064.3 ms (Link to these results)

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