A0A3Q0KN17_SCHMA Loading...

Pleckstrin homology domain-containing family A member 8

Mediates the non-vesicular transport of glucosylceramide (GlcCer) from the trans-Golgi network (TGN) to the plasma membrane, playing a pivotal role in the synthesis of complex glycosphingolipids; binding of both phosphatidylinositol 4-phosphate (PIP) and ARF1 are essential for this GlcCer transfer ability. Also functions as a cargo transport protein required for apical transport from the Golgi complex, including transport of AQP2 from the TGN to sites of AQP2 phosphorylation. Additionally required for primary cilium formation, possibly by being involved in the transport of raft lipids to the apical membrane, and for membrane tubulation.

AlphaFold DB , UniProt , Accession A0A3Q0KN17, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 587 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
1M88.3Confident86.5Confident78 Ų7854.9 Ų54.938%0.38426%0.262SS..  0136.50176.5179177.500108.1L22 R82 W83 A86M1-L22 HydrophobicContact CB-CB 4.26Å; M1-L22 PolarHBondContact N-O 3.25Å; M1-L22 PolarHBondContact O-N 3.17Å; M1-R82 HydrophobicContact CE-CB 3.78Å; M1-W83 HydrophobicContact CE-CB 4.19Å; M1-W83 HydrophobicContact CE-CD2 3.43Å; M1-W83 VanDerWaalsContact CE-CD2 3.43Å; M1-W83 HydrophobicContact CE-CE3 4.02Å; M1-W83 HydrophobicContact CE-CG 3.48Å; M1-W83 VanDerWaalsContact CE-CG 3.48Å; M1-W83 HydrophobicContact CE-CZ2 4.18Å; M1-W83 HydrophobicContact CG-CE3 4.48Å; M1-W83 HydrophobicContact CG-CH2 4.36Å; M1-W83 HydrophobicContact CG-CZ3 4.31Å; M1-W83 HydrophobicContact SD-CD2 3.92Å; M1-W83 HydrophobicContact SD-CE3 3.87Å; M1-W83 HydrophobicContact SD-CG 4.29Å; M1-W83 HydrophobicContact SD-CZ3 4.29Å; M1-A86 HydrophobicContact CB-CB 4.14Å; M1-A86 HydrophobicContact CG-CB 4.37Å; M1-A86 HydrophobicContact SD-CB 3.31Å; M1-A86 WeakPolarHBondContact SD-CB 3.42Å
2E93.2Very high83.5Confident102 Ų10260.2 Ų60.248%0.47730%0.3SS..EExtended strand (participates in β ladder)trans-134.8153.7177.458.4168.2-151.300111.6Y19 F20 I21 K33E2-Y19 HydrophobicContact CB-CE1 4.34Å; E2-Y19 PolarHBondContact OE1-OH 3.37Å; E2-Y19 PolarHBondContact OE2-OH 3.11Å; E2-F20 CarbonylContact C-O 3.53Å; E2-F20 VanDerWaalsContact CA-O 3.27Å; E2-F20 WeakPolarHBondContact CA-O 3.41Å; E2-I21 HydrophobicContact CB-CG1 4.27Å; E2-K33 IonicContact OE1-NZ 3.61Å; E2-K33 PolarHBondContact OE1-NZ 3.4Å; E2-K33 VanDerWaalsContact OE1-NZ 3.16Å
3G93.2Very high82.4Confident17 Ų1759.9 Ų59.918%0.17531%0.307CS..EExtended strand (participates in β ladder)trans165.8178.7178.200000114.5F20G3-F20 PolarHBondContact N-O 3.34Å; G3-F20 PolarHBondContact O-N 3.12Å
4I93.7Very high82.2Confident56 Ų5656.5 Ų56.529%0.28729%0.294SS..EExtended strand (participates in β ladder)trans-90.1131.4-179.9-71.5161.5000110.1Q17 Y19 L75I4-Q17 HydrophobicContact CB-CG 4.49Å; I4-Q17 VanDerWaalsContact CG2-CD 3.48Å; I4-Q17 HydrophobicContact CG2-CG 3.22Å; I4-Y19 HydrophobicContact CG1-CD2 4.19Å; I4-L75 HydrophobicContact CB-CD1 4.29Å; I4-L75 HydrophobicContact CG2-CD1 4.33Å; I4-L75 HydrophobicContact CG2-CD2 4.36Å
5L95.4Very high82.7Confident0 Ų056.9 Ų56.90%029%0.291CS..EExtended strand (participates in β ladder)trans-128.5152.8165.7-64168.9000109.7R18 F20 F61 L72 A74 W83L5-R18 PolarHBondContact N-O 3.47Å; L5-R18 PolarHBondContact O-N 2.78Å; L5-R18 VanDerWaalsContact O-O 3.12Å; L5-F20 HydrophobicContact CB-CD2 3.6Å; L5-F20 HydrophobicContact CB-CE2 3.6Å; L5-F20 HydrophobicContact CD1-CB 4.29Å; L5-F20 HydrophobicContact CD1-CD1 4.33Å; L5-F20 HydrophobicContact CD1-CD2 3.8Å; L5-F20 HydrophobicContact CD1-CE2 4.13Å; L5-F20 HydrophobicContact CD1-CG 3.9Å; L5-F20 HydrophobicContact CG-CD2 4Å; L5-F20 HydrophobicContact CG-CE2 4.39Å; L5-F20 HydrophobicContact CG-CG 4.48Å; L5-F61 HydrophobicContact CD1-CE1 4.31Å; L5-F61 HydrophobicContact CD1-CZ 3.64Å; L5-F61 HydrophobicContact CD2-CE1 3.93Å; L5-F61 HydrophobicContact CD2-CZ 4.09Å; L5-L72 HydrophobicContact CD1-CD1 4.18Å; L5-A74 HydrophobicContact CD2-CB 3.74Å; L5-W83 HydrophobicContact CD1-CD2 3.88Å; L5-W83 HydrophobicContact CD1-CE3 4.29Å; L5-W83 HydrophobicContact CD1-CG 4.26Å; L5-W83 HydrophobicContact CD1-CZ2 4.13Å; L5-W83 HydrophobicContact CD2-CD2 4.39Å; L5-W83 HydrophobicContact CD2-CG 4.1Å; L5-W83 HydrophobicContact CG-CD2 4.35Å; L5-W83 HydrophobicContact CG-CZ2 4.2Å
6L94.3Very high83.2Confident39 Ų3957.6 Ų57.620%0.20429%0.292CS..EExtended strand (participates in β ladder)trans-84119.9166.4-63.3170.1000108W15 Q16 Q17 L72 R73L6-W15 HydrophobicContact CB-CB 4.37Å; L6-W15 HydrophobicContact CB-CE3 3.92Å; L6-W15 WeakPolarHBondContact O-CZ3 3.16Å; L6-Q16 CarbonylContact C-O 3.59Å; L6-Q16 WeakPolarHBondContact CA-O 2.98Å; L6-Q17 HydrophobicContact CD2-CB 4.26Å; L6-L72 CarbonylContact O-C 3.48Å; L6-L72 WeakPolarHBondContact O-CA 3.45Å; L6-R73 HydrophobicContact CB-CB 4.19Å; L6-R73 WeakPolarHBondContact CB-O 3.01Å; L6-R73 PolarHBondContact N-O 3.02Å; L6-R73 PolarHBondContact O-N 3.41Å
7K93.4Very high83.8Confident23 Ų2360.5 Ų60.510%0.130%0.304CS..EExtended strand (participates in β ladder)trans-105.2130.1173.7-175.7-179.8-174-65.40109.2T9 Q16 R18 F20 Y29 Y71 L72K7-T9 PolarHBondContact O-N 3.16Å; K7-Q16 PolarHBondContact N-O 3.43Å; K7-Q16 PolarHBondContact O-N 3.43Å; K7-R18 HydrophobicContact CB-CG 3.97Å; K7-F20 HydrophobicContact CB-CE2 4.35Å; K7-F20 HydrophobicContact CB-CZ 4.14Å; K7-F20 HydrophobicContact CD-CZ 4.14Å; K7-F20 HydrophobicContact CG-CZ 4.45Å; K7-Y29 HydrophobicContact CD-CD2 4.37Å; K7-Y29 HydrophobicContact CD-CE1 4.38Å; K7-Y29 HydrophobicContact CD-CE2 4.08Å; K7-Y71 WeakPolarHBondContact CA-O 3.26Å; K7-L72 HydrophobicContact CB-CD2 3.84Å; K7-L72 HydrophobicContact CD-CD2 4.45Å; K7-L72 HydrophobicContact CG-CD2 3.81Å
8W90.4Very high84.3Confident67 Ų6759.7 Ų59.725%0.25430%0.297SS..EExtended strand (participates in β ladder)trans-67.7128.3168.9-172-102.4000110.1Y11 G14 W15 Y71W8-Y11 AromaticContact CZ2-CD1 3.83Å; W8-Y11 HydrophobicContact CZ2-CD1 3.83Å; W8-Y11 HydrophobicContact CZ2-CE1 4.21Å; W8-G14 VanDerWaalsContact CZ3-CA 3.44Å; W8-W15 HydrophobicContact CB-CD2 4.46Å; W8-W15 HydrophobicContact CB-CE3 4.18Å; W8-W15 HydrophobicContact CB-CH2 4.37Å; W8-W15 HydrophobicContact CB-CZ3 4.15Å; W8-W15 AromaticContact CE3-CD1 3.51Å; W8-W15 AromaticContact CE3-CD2 3.82Å; W8-W15 HydrophobicContact CE3-CD2 3.82Å; W8-W15 AromaticContact CE3-CE2 3.66Å; W8-W15 AromaticContact CE3-CG 3.74Å; W8-W15 HydrophobicContact CE3-CG 3.74Å; W8-W15 HydrophobicContact CE3-CZ2 4.35Å; W8-W15 AromaticContact CE3-NE1 3.44Å; W8-W15 AromaticContact CZ3-CD1 3.52Å; W8-W15 HydrophobicContact CZ3-CG 4.15Å; W8-W15 AromaticContact CZ3-NE1 3.56Å; W8-Y71 HydrophobicContact CB-CD2 4.12Å; W8-Y71 HydrophobicContact CB-CG 4.34Å; W8-Y71 HydrophobicContact CG-CD2 4.36Å; W8-Y71 PolarHBondContact N-O 3.12Å
9T79.8Confident84.8Confident23 Ų2357.3 Ų57.314%0.14128%0.284CS..EExtended strand (participates in β ladder)trans-107.8-48.7-178.153.50000113.2K7 S13 G14 Q16 W487K7-T9 PolarHBondContact O-N 3.16Å; T9-S13 WeakPolarHBondContact OG1-CB 3.32Å; T9-G14 PolarHBondContact N-O 3.18Å; T9-G14 PolarHBondContact OG1-O 3.28Å; T9-Q16 HydrophobicContact CG2-CB 3.89Å; T9-Q16 HydrophobicContact CG2-CG 3.96Å; T9-W487 PolarHBondContact O-NE1 3.07Å
10N73.5Confident85.3Confident56 Ų5654.5 Ų54.530%0.29927%0.27SS..EExtended strand (participates in β ladder)trans-170.8173.918055.833.3000109.1V12 S13 G14N10-V12 PolarHBondContact O-N 3.01Å; N10-V12 PolarHBondContact OD1-N 3.05Å; N10-V12 VanDerWaalsContact OD1-N 3.15Å; N10-S13 WeakPolarHBondContact OD1-CB 3.26Å; N10-S13 PolarHBondContact OD1-N 3.18Å; N10-S13 PolarHBondContact OD1-OG 3.49Å; N10-G14 WeakPolarHBondContact O-CA 3.29Å; N10-G14 PolarHBondContact O-N 2.71Å
11Y56.3Low85.7Confident143 Ų14353.3 Ų53.356%0.56127%0.265SS*.THydrogen-bonded Turntrans-65.6-19.7178.1-71.3-60.4000114.7W8 L122 S488W8-Y11 AromaticContact CZ2-CD1 3.83Å; W8-Y11 HydrophobicContact CZ2-CD1 3.83Å; W8-Y11 HydrophobicContact CZ2-CE1 4.21Å; Y11-L122 HydrophobicContact CE1-CD2 4.32Å; Y11-S488 VanDerWaalsContact CD2-CB 3.45Å; Y11-S488 VanDerWaalsContact CE2-OG 3.25Å; Y11-S488 WeakPolarHBondContact CE2-OG 3.44Å
12V50.2Low85.9Confident118 Ų11850 Ų5072%0.71525%0.249SC*.THydrogen-bonded Turntrans-84.3-48.7-176.6-179.40000111.6N10N10-V12 PolarHBondContact O-N 3.01Å; N10-V12 PolarHBondContact OD1-N 3.05Å; N10-V12 VanDerWaalsContact OD1-N 3.15Å
13S70.1Confident85.7Confident57 Ų5750.9 Ų50.940%0.39926%0.256SS..THydrogen-bonded Turntrans-92-17.9-179.2-49.50000112.2T9 N10 W15 Q16T9-S13 WeakPolarHBondContact OG1-CB 3.32Å; N10-S13 WeakPolarHBondContact OD1-CB 3.26Å; N10-S13 PolarHBondContact OD1-N 3.18Å; N10-S13 PolarHBondContact OD1-OG 3.49Å; S13-W15 PolarHBondContact O-N 3.37Å; S13-Q16 PolarHBondContact O-NE2 3.12Å
14G79.3Confident85.3Confident12 Ų1257.5 Ų57.512%0.12429%0.288CS..EExtended strand (participates in β ladder)trans60-131.7179.100000113.4W8 T9 N10W8-G14 VanDerWaalsContact CZ3-CA 3.44Å; T9-G14 PolarHBondContact N-O 3.18Å; T9-G14 PolarHBondContact OG1-O 3.28Å; N10-G14 WeakPolarHBondContact O-CA 3.29Å; N10-G14 PolarHBondContact O-N 2.71Å
15W89.5Confident84.9Confident63 Ų6355.5 Ų55.524%0.23928%0.282CS..EExtended strand (participates in β ladder)trans-76.8124.1173.4-68.399.9000110.3L6 W8 S13 R60 Y71 R73L6-W15 HydrophobicContact CB-CB 4.37Å; L6-W15 HydrophobicContact CB-CE3 3.92Å; L6-W15 WeakPolarHBondContact O-CZ3 3.16Å; W8-W15 HydrophobicContact CB-CD2 4.46Å; W8-W15 HydrophobicContact CB-CE3 4.18Å; W8-W15 HydrophobicContact CB-CH2 4.37Å; W8-W15 HydrophobicContact CB-CZ3 4.15Å; W8-W15 AromaticContact CE3-CD1 3.51Å; W8-W15 AromaticContact CE3-CD2 3.82Å; W8-W15 HydrophobicContact CE3-CD2 3.82Å; W8-W15 AromaticContact CE3-CE2 3.66Å; W8-W15 AromaticContact CE3-CG 3.74Å; W8-W15 HydrophobicContact CE3-CG 3.74Å; W8-W15 HydrophobicContact CE3-CZ2 4.35Å; W8-W15 AromaticContact CE3-NE1 3.44Å; W8-W15 AromaticContact CZ3-CD1 3.52Å; W8-W15 HydrophobicContact CZ3-CG 4.15Å; W8-W15 AromaticContact CZ3-NE1 3.56Å; S13-W15 PolarHBondContact O-N 3.37Å; W15-R60 HydrophobicContact CH2-CG 4.4Å; W15-Y71 VanDerWaalsContact CZ3-O 3.3Å; W15-Y71 WeakPolarHBondContact CZ3-O 3.1Å; W15-R73 HydrophobicContact CE3-CB 4.06Å; W15-R73 HydrophobicContact CH2-CB 4.03Å; W15-R73 HydrophobicContact CZ3-CB 3.7Å
16Q91Very high84.6Confident67 Ų6757.7 Ų57.731%0.31330%0.295SS..EExtended strand (participates in β ladder)trans-124.2138.2-179.4-69.4-68.9-5100110.7L6 K7 T9 S13 R18L6-Q16 CarbonylContact C-O 3.59Å; L6-Q16 WeakPolarHBondContact CA-O 2.98Å; K7-Q16 PolarHBondContact N-O 3.43Å; K7-Q16 PolarHBondContact O-N 3.43Å; T9-Q16 HydrophobicContact CG2-CB 3.89Å; T9-Q16 HydrophobicContact CG2-CG 3.96Å; S13-Q16 PolarHBondContact O-NE2 3.12Å; Q16-R18 PolarHBondContact O-N 3.34Å
17Q92.8Very high84.5Confident107 Ų10756 Ų5650%0.529%0.286SS..EExtended strand (participates in β ladder)trans-67.4130.2176.6-163172.4-58.100110.4I4 L6I4-Q17 HydrophobicContact CB-CG 4.49Å; I4-Q17 VanDerWaalsContact CG2-CD 3.48Å; I4-Q17 HydrophobicContact CG2-CG 3.22Å; L6-Q17 HydrophobicContact CD2-CB 4.26Å
18R93.8Very high84.4Confident47 Ų4755.8 Ų55.818%0.17729%0.287CS..EExtended strand (participates in β ladder)trans-136.3146.6175.6-62.1-65.6177.5-103.1-0.3109.3L5 K7 Q16 F20 Y29 Y30L5-R18 PolarHBondContact N-O 3.47Å; L5-R18 PolarHBondContact O-N 2.78Å; L5-R18 VanDerWaalsContact O-O 3.12Å; K7-R18 HydrophobicContact CB-CG 3.97Å; Q16-R18 PolarHBondContact O-N 3.34Å; R18-F20 HydrophobicContact CB-CD2 4.12Å; R18-F20 HydrophobicContact CB-CE2 3.59Å; R18-F20 HydrophobicContact CB-CZ 4.34Å; R18-F20 WeakPolarHBondContact O-CD2 3.41Å; R18-Y29 HydrophobicContact CB-CD2 4.2Å; R18-Y29 HydrophobicContact CG-CD2 4.1Å; R18-Y30 WeakPolarHBondContact CA-O 3.24Å; R18-Y30 WeakPolarHBondContact CB-O 3.42Å; R18-Y30 WeakPolarHBondContact CD-O 3.38Å
19Y93.9Very high84.5Confident13 Ų1354.1 Ų54.15%0.05128%0.281CS..EExtended strand (participates in β ladder)trans-90.5122174.6-168.6-103.5000108.9E2 I4 I21 Y29 Y30 K33E2-Y19 HydrophobicContact CB-CE1 4.34Å; E2-Y19 PolarHBondContact OE1-OH 3.37Å; E2-Y19 PolarHBondContact OE2-OH 3.11Å; I4-Y19 HydrophobicContact CG1-CD2 4.19Å; Y19-I21 HydrophobicContact CD1-CD1 4.11Å; Y19-I21 HydrophobicContact CD1-CG1 3.87Å; Y19-I21 HydrophobicContact CE1-CD1 3.77Å; Y19-I21 HydrophobicContact CE1-CG1 3.61Å; Y19-Y29 CarbonylContact O-C 3.58Å; Y19-Y29 WeakPolarHBondContact O-CA 3.49Å; Y19-Y30 HydrophobicContact CD1-CD2 4.46Å; Y19-Y30 PolarHBondContact N-O 3.32Å; Y19-Y30 PolarHBondContact O-N 3.4Å; Y19-K33 HydrophobicContact CD1-CB 4.41Å; Y19-K33 HydrophobicContact CD2-CB 3.97Å; Y19-K33 HydrophobicContact CD2-CG 4.44Å; Y19-K33 HydrophobicContact CE1-CB 4.47Å; Y19-K33 HydrophobicContact CE1-CD 4.48Å; Y19-K33 HydrophobicContact CE1-CG 4.11Å; Y19-K33 HydrophobicContact CE2-CB 4.03Å; Y19-K33 HydrophobicContact CE2-CD 3.81Å; Y19-K33 HydrophobicContact CE2-CG 4.03Å; Y19-K33 HydrophobicContact CG-CB 4.15Å; Y19-K33 WeakPolarHBondContact OH-CE 3.44Å; Y19-K33 PolarHBondContact OH-NZ 2.92Å
20F94.6Very high85.1Confident1 Ų154.8 Ų54.80%0.00428%0.281CS..EExtended strand (participates in β ladder)trans-108.7141.5-178.7-76.6-100.2000110.5E2 G3 L5 K7 R18 L27 S28 Y29 L72 W83E2-F20 CarbonylContact C-O 3.53Å; E2-F20 VanDerWaalsContact CA-O 3.27Å; E2-F20 WeakPolarHBondContact CA-O 3.41Å; G3-F20 PolarHBondContact N-O 3.34Å; G3-F20 PolarHBondContact O-N 3.12Å; L5-F20 HydrophobicContact CB-CD2 3.6Å; L5-F20 HydrophobicContact CB-CE2 3.6Å; L5-F20 HydrophobicContact CD1-CB 4.29Å; L5-F20 HydrophobicContact CD1-CD1 4.33Å; L5-F20 HydrophobicContact CD1-CD2 3.8Å; L5-F20 HydrophobicContact CD1-CE2 4.13Å; L5-F20 HydrophobicContact CD1-CG 3.9Å; L5-F20 HydrophobicContact CG-CD2 4Å; L5-F20 HydrophobicContact CG-CE2 4.39Å; L5-F20 HydrophobicContact CG-CG 4.48Å; K7-F20 HydrophobicContact CB-CE2 4.35Å; K7-F20 HydrophobicContact CB-CZ 4.14Å; K7-F20 HydrophobicContact CD-CZ 4.14Å; K7-F20 HydrophobicContact CG-CZ 4.45Å; R18-F20 HydrophobicContact CB-CD2 4.12Å; R18-F20 HydrophobicContact CB-CE2 3.59Å; R18-F20 HydrophobicContact CB-CZ 4.34Å; R18-F20 WeakPolarHBondContact O-CD2 3.41Å; F20-L27 HydrophobicContact CB-CD1 4.26Å; F20-L27 HydrophobicContact CD1-CD1 3.96Å; F20-L27 HydrophobicContact CD1-CD2 3.96Å; F20-L27 HydrophobicContact CD1-CG 3.92Å; F20-L27 HydrophobicContact CE1-CD2 4.23Å; F20-S28 CarbonylContact C-O 3.54Å; F20-S28 WeakPolarHBondContact CA-O 3.49Å; F20-Y29 HydrophobicContact CE1-CD1 4.24Å; F20-Y29 HydrophobicContact CE1-CG 4.06Å; F20-Y29 HydrophobicContact CZ-CG 4.18Å; F20-L72 HydrophobicContact CE1-CD1 4.24Å; F20-L72 HydrophobicContact CE1-CD2 4Å; F20-L72 HydrophobicContact CE2-CD2 4.1Å; F20-L72 HydrophobicContact CZ-CD1 4.38Å; F20-L72 HydrophobicContact CZ-CD2 3.39Å; F20-W83 HydrophobicContact CB-CH2 3.44Å; F20-W83 VanDerWaalsContact CB-CH2 3.44Å; F20-W83 HydrophobicContact CB-CZ2 3.9Å; F20-W83 HydrophobicContact CB-CZ3 4.15Å
21I93Very high85.7Confident31 Ų3158.7 Ų58.716%0.15929%0.292CS..EExtended strand (participates in β ladder)trans-131118.4175.2-54.3-179.7000107E2 Y19 D23 S28 Y30 M36E2-I21 HydrophobicContact CB-CG1 4.27Å; Y19-I21 HydrophobicContact CD1-CD1 4.11Å; Y19-I21 HydrophobicContact CD1-CG1 3.87Å; Y19-I21 HydrophobicContact CE1-CD1 3.77Å; Y19-I21 HydrophobicContact CE1-CG1 3.61Å; I21-D23 HydrophobicContact CG2-CB 4.3Å; I21-S28 PolarHBondContact N-O 3.44Å; I21-S28 PolarHBondContact O-N 3.29Å; I21-Y30 HydrophobicContact CB-CE2 4.45Å; I21-Y30 HydrophobicContact CD1-CD2 4.14Å; I21-Y30 HydrophobicContact CD1-CE2 3.59Å; I21-Y30 HydrophobicContact CG1-CD2 4.37Å; I21-Y30 HydrophobicContact CG1-CE2 4.01Å; I21-M36 HydrophobicContact CD1-CG 4.21Å; I21-M36 HydrophobicContact CD1-SD 3.37Å; I21-M36 WeakPolarHBondContact CD1-SD 3.27Å
22L92.1Very high87.1Confident9 Ų953.6 Ų53.65%0.04728%0.277CS..EExtended strand (participates in β ladder)trans-98.6111.5168.3172.356.8000108.2M1 V26 L27 L46 W83 A86 L87M1-L22 HydrophobicContact CB-CB 4.26Å; M1-L22 PolarHBondContact N-O 3.25Å; M1-L22 PolarHBondContact O-N 3.17Å; L22-V26 WeakPolarHBondContact CA-O 3.42Å; L22-L27 HydrophobicContact CB-CD1 3.93Å; L22-L27 HydrophobicContact CD1-CB 4.49Å; L22-L46 HydrophobicContact CD1-CD1 3.37Å; L22-L46 HydrophobicContact CD1-CG 4.22Å; L22-L46 HydrophobicContact CD2-CD1 4.26Å; L22-L46 HydrophobicContact CG-CD1 4.45Å; L22-W83 HydrophobicContact CB-CZ3 4.21Å; L22-A86 HydrophobicContact CD2-CB 3.84Å; L22-L87 HydrophobicContact CD2-CD2 4.14Å; L22-L87 HydrophobicContact CD2-CG 4.49Å
23D88.8Confident88.7Confident119 Ų11953.1 Ų53.164%0.63627%0.265SS*.EExtended strand (participates in β ladder)trans-139.1137179.6-17031.7000110.1I21 G25 V26I21-D23 HydrophobicContact CG2-CB 4.3Å; D23-G25 VanDerWaalsContact C-N 3.28Å; D23-G25 PolarHBondContact O-N 3.28Å; D23-G25 VanDerWaalsContact O-N 3.1Å; D23-V26 PolarHBondContact N-O 3.46Å; D23-V26 WeakPolarHBondContact O-CA 3.2Å; D23-V26 WeakPolarHBondContact O-CB 3.42Å; D23-V26 PolarHBondContact O-N 3.34Å; D23-V26 VanDerWaalsContact O-O 3.06Å
24D85.2Confident89.3Confident156 Ų15657.4 Ų57.483%0.83428%0.279SS*.THydrogen-bonded Turntrans4245.5179.9-160.528.4000115.9V26D24-V26 PolarHBondContact O-N 2.95Å
25G85.2Confident89.2Confident15 Ų1560.2 Ų60.216%0.15529%0.289CS..THydrogen-bonded Turntrans73.59.6-179.500000115.1D23 L46D23-G25 VanDerWaalsContact C-N 3.28Å; D23-G25 PolarHBondContact O-N 3.28Å; D23-G25 VanDerWaalsContact O-N 3.1Å; G25-L46 WeakPolarHBondContact O-CB 3.45Å; G25-L46 WeakPolarHBondContact O-CG 3.43Å; G25-L46 PolarHBondContact O-N 3.26Å
26V89.2Confident88.5Confident45 Ų4561 Ų6127%0.27330%0.296SS..EExtended strand (participates in β ladder)trans-117.4123.1179-177.90000110.2L22 D23 D24 S43 V44 K45L22-V26 WeakPolarHBondContact CA-O 3.42Å; D23-V26 PolarHBondContact N-O 3.46Å; D23-V26 WeakPolarHBondContact O-CA 3.2Å; D23-V26 WeakPolarHBondContact O-CB 3.42Å; D23-V26 PolarHBondContact O-N 3.34Å; D23-V26 VanDerWaalsContact O-O 3.06Å; D24-V26 PolarHBondContact O-N 2.95Å; V26-S43 WeakPolarHBondContact CG1-OG 3.49Å; V26-V44 CarbonylContact C-O 3.57Å; V26-V44 WeakPolarHBondContact CA-O 3.17Å; V26-K45 HydrophobicContact CG2-CG 4.5Å
27L92Very high87.6Confident3 Ų365.3 Ų65.32%0.01632%0.321CS..EExtended strand (participates in β ladder)trans-95.3110172.9-176.172.9000110.1F20 L22 S43 V44 L46 L63 W83 L87F20-L27 HydrophobicContact CB-CD1 4.26Å; F20-L27 HydrophobicContact CD1-CD1 3.96Å; F20-L27 HydrophobicContact CD1-CD2 3.96Å; F20-L27 HydrophobicContact CD1-CG 3.92Å; F20-L27 HydrophobicContact CE1-CD2 4.23Å; L22-L27 HydrophobicContact CB-CD1 3.93Å; L22-L27 HydrophobicContact CD1-CB 4.49Å; L27-S43 CarbonylContact O-C 3.59Å; L27-S43 WeakPolarHBondContact O-CA 3.08Å; L27-V44 PolarHBondContact N-O 3.08Å; L27-V44 PolarHBondContact O-N 3.4Å; L27-L46 HydrophobicContact CB-CD2 4.12Å; L27-L63 HydrophobicContact CD2-CD1 3.31Å; L27-W83 HydrophobicContact CD1-CE3 4.47Å; L27-W83 HydrophobicContact CD1-CH2 4.38Å; L27-W83 HydrophobicContact CD1-CZ3 3.66Å; L27-L87 HydrophobicContact CB-CD2 4.47Å; L27-L87 HydrophobicContact CD1-CD2 4.22Å; L27-L87 HydrophobicContact CD2-CD2 4Å; L27-L87 HydrophobicContact CG-CD2 4.47Å
28S91.8Very high86.6Confident19 Ų1964.2 Ų64.213%0.13333%0.326CS..EExtended strand (participates in β ladder)trans-108.3150.3176.3-57.60000111.1F20 I21 G42 S43F20-S28 CarbonylContact C-O 3.54Å; F20-S28 WeakPolarHBondContact CA-O 3.49Å; I21-S28 PolarHBondContact N-O 3.44Å; I21-S28 PolarHBondContact O-N 3.29Å; S28-G42 WeakPolarHBondContact CA-O 3.32Å; S28-S43 PolarHBondContact OG-OG 3.42Å
29Y93.2Very high85.7Confident32 Ų3263.8 Ų63.813%0.12534%0.336CS..EExtended strand (participates in β ladder)trans-134151.917677.4-87.9000114K7 R18 Y19 F20 K41 G42 Y70K7-Y29 HydrophobicContact CD-CD2 4.37Å; K7-Y29 HydrophobicContact CD-CE1 4.38Å; K7-Y29 HydrophobicContact CD-CE2 4.08Å; R18-Y29 HydrophobicContact CB-CD2 4.2Å; R18-Y29 HydrophobicContact CG-CD2 4.1Å; Y19-Y29 CarbonylContact O-C 3.58Å; Y19-Y29 WeakPolarHBondContact O-CA 3.49Å; F20-Y29 HydrophobicContact CE1-CD1 4.24Å; F20-Y29 HydrophobicContact CE1-CG 4.06Å; F20-Y29 HydrophobicContact CZ-CG 4.18Å; Y29-K41 HydrophobicContact CD2-CB 3.82Å; Y29-K41 HydrophobicContact CE2-CB 3.33Å; Y29-K41 HydrophobicContact CE2-CG 4.38Å; Y29-K41 PolarHBondContact O-N 3.21Å; Y29-K41 PolarHBondContact OH-O 2.97Å; Y29-G42 WeakPolarHBondContact CD1-O 3.5Å; Y29-G42 VanDerWaalsContact CE1-CA 3.42Å; Y29-G42 PolarHBondContact N-O 3.14Å; Y29-Y70 HydrophobicContact CD1-CE2 4.5Å; Y29-Y70 HydrophobicContact CE1-CE2 4.12Å
30Y92.3Very high85.1Confident37 Ų3766.1 Ų66.115%0.14535%0.354CS..EExtended strand (participates in β ladder)trans-131.3162.6-175-54.2-94.9000110R18 Y19 I21 M36 C40R18-Y30 WeakPolarHBondContact CA-O 3.24Å; R18-Y30 WeakPolarHBondContact CB-O 3.42Å; R18-Y30 WeakPolarHBondContact CD-O 3.38Å; Y19-Y30 HydrophobicContact CD1-CD2 4.46Å; Y19-Y30 PolarHBondContact N-O 3.32Å; Y19-Y30 PolarHBondContact O-N 3.4Å; I21-Y30 HydrophobicContact CB-CE2 4.45Å; I21-Y30 HydrophobicContact CD1-CD2 4.14Å; I21-Y30 HydrophobicContact CD1-CE2 3.59Å; I21-Y30 HydrophobicContact CG1-CD2 4.37Å; I21-Y30 HydrophobicContact CG1-CE2 4.01Å; Y30-M36 HydrophobicContact CD1-CB 4.41Å; Y30-M36 HydrophobicContact CD1-CG 3.86Å; Y30-M36 HydrophobicContact CD2-CG 4.09Å; Y30-M36 HydrophobicContact CE1-CG 3.73Å; Y30-M36 HydrophobicContact CE2-CG 4Å; Y30-M36 HydrophobicContact CG-CG 4.04Å; Y30-C40 HydrophobicContact CD1-CB 4.3Å; Y30-C40 VanDerWaalsContact CE1-CA 3.44Å; Y30-C40 HydrophobicContact CE1-CB 3.7Å
31R85.9Confident84.6Confident139 Ų13970.4 Ų70.453%0.52537%0.372SS..SBendtrans-64.6-46.2176.7-85.6173.7175.1175.72.2111.4E35 K41R31-E35 VanDerWaalsContact CB-OE2 3.24Å; R31-E35 WeakPolarHBondContact CB-OE2 3.43Å; R31-E35 WeakPolarHBondContact CD-OE2 3.4Å; R31-E35 IonicContact NH1-OE2 3.92Å; R31-K41 HydrophobicContact CG-CG 4.24Å
32S85.4Confident84.2Confident35 Ų3569.6 Ų69.625%0.24537%0.372CS..SBendtrans-146.4176.1173.478.20000110E34 E35S32-E34 VanDerWaalsContact C-N 3.27Å; S32-E34 WeakPolarHBondContact CB-OE2 3.34Å; S32-E34 PolarHBondContact OG-N 3.44Å; S32-E34 PolarHBondContact OG-OE2 3.18Å; S32-E35 PolarHBondContact OG-N 3.49Å
33K84.8Confident84Confident108 Ų10872 Ų7247%0.4739%0.389SS..SBendtrans-68.3-31.2177-173.4168.9-177.21460111.4E2 Y19E2-K33 IonicContact OE1-NZ 3.61Å; E2-K33 PolarHBondContact OE1-NZ 3.4Å; E2-K33 VanDerWaalsContact OE1-NZ 3.16Å; Y19-K33 HydrophobicContact CD1-CB 4.41Å; Y19-K33 HydrophobicContact CD2-CB 3.97Å; Y19-K33 HydrophobicContact CD2-CG 4.44Å; Y19-K33 HydrophobicContact CE1-CB 4.47Å; Y19-K33 HydrophobicContact CE1-CD 4.48Å; Y19-K33 HydrophobicContact CE1-CG 4.11Å; Y19-K33 HydrophobicContact CE2-CB 4.03Å; Y19-K33 HydrophobicContact CE2-CD 3.81Å; Y19-K33 HydrophobicContact CE2-CG 4.03Å; Y19-K33 HydrophobicContact CG-CB 4.15Å; Y19-K33 WeakPolarHBondContact OH-CE 3.44Å; Y19-K33 PolarHBondContact OH-NZ 2.92Å
34E82.6Confident83.8Confident147 Ų14766.6 Ų66.669%0.68736%0.36SS*.G310 helixtrans-75.8-31-178.3-54.271.5-149.200112.1S32 M36S32-E34 VanDerWaalsContact C-N 3.27Å; S32-E34 WeakPolarHBondContact CB-OE2 3.34Å; S32-E34 PolarHBondContact OG-N 3.44Å; S32-E34 PolarHBondContact OG-OE2 3.18Å; E34-M36 PolarHBondContact O-N 3.11Å
35E76Confident83.8Confident71 Ų7165.1 Ų65.133%0.33235%0.346SS..G310 helixtrans-83.916178.6-71.4-169.3-166.300113.9R31 S32 N37 S38R31-E35 VanDerWaalsContact CB-OE2 3.24Å; R31-E35 WeakPolarHBondContact CB-OE2 3.43Å; R31-E35 WeakPolarHBondContact CD-OE2 3.4Å; R31-E35 IonicContact NH1-OE2 3.92Å; S32-E35 PolarHBondContact OG-N 3.49Å; E35-N37 PolarHBondContact O-N 3.34Å; E35-S38 WeakPolarHBondContact O-CB 3.38Å; E35-S38 PolarHBondContact O-N 3.31Å
36M74.9Confident83.7Confident79 Ų7964.5 Ų64.539%0.38934%0.34SS..G310 helixtrans-59.7-32.5177.6-131.9170.868.700112.2I21 Y30 E34 S38 G39I21-M36 HydrophobicContact CD1-CG 4.21Å; I21-M36 HydrophobicContact CD1-SD 3.37Å; I21-M36 WeakPolarHBondContact CD1-SD 3.27Å; Y30-M36 HydrophobicContact CD1-CB 4.41Å; Y30-M36 HydrophobicContact CD1-CG 3.86Å; Y30-M36 HydrophobicContact CD2-CG 4.09Å; Y30-M36 HydrophobicContact CE1-CG 3.73Å; Y30-M36 HydrophobicContact CE2-CG 4Å; Y30-M36 HydrophobicContact CG-CG 4.04Å; E34-M36 PolarHBondContact O-N 3.11Å; M36-S38 PolarHBondContact O-N 3.25Å; M36-G39 PolarHBondContact O-N 3.01Å
37N71.6Confident83.2Confident158 Ų15864.9 Ų64.985%0.84534%0.344SS*.G310 helixtrans-69.7-14.2178-64.3-17.7000113.4E35 G39E35-N37 PolarHBondContact O-N 3.34Å; N37-G39 VanDerWaalsContact C-N 3.26Å; N37-G39 PolarHBondContact O-N 2.9Å
38S72.1Confident82.6Confident85 Ų8569.6 Ų69.659%0.59437%0.373SS*.G310 helixtrans-84.12.3177.8-55.50000113.7E35 M36E35-S38 WeakPolarHBondContact O-CB 3.38Å; E35-S38 PolarHBondContact O-N 3.31Å; M36-S38 PolarHBondContact O-N 3.25Å
39G74.7Confident82.1Confident38 Ų3868.7 Ų68.739%0.39237%0.367SS..  trans84.8156.8-174.300000113M36 N37M36-G39 PolarHBondContact O-N 3.01Å; N37-G39 VanDerWaalsContact C-N 3.26Å; N37-G39 PolarHBondContact O-N 2.9Å
40C81.1Confident81.6Confident62 Ų6271 Ų7142%0.41938%0.381SS..  trans-67.6145.5-18073.10000111.5Y30 G42Y30-C40 HydrophobicContact CD1-CB 4.3Å; Y30-C40 VanDerWaalsContact CE1-CA 3.44Å; Y30-C40 HydrophobicContact CE1-CB 3.7Å; C40-G42 VanDerWaalsContact C-N 3.34Å
41K84.9Confident81.3Confident90 Ų9071.3 Ų71.339%0.39139%0.387SS..SBendtrans-82.6-17.5173.9-67.9-57.1-176.5-164.60112.7Y29 R31Y29-K41 HydrophobicContact CD2-CB 3.82Å; Y29-K41 HydrophobicContact CE2-CB 3.33Å; Y29-K41 HydrophobicContact CE2-CG 4.38Å; Y29-K41 PolarHBondContact O-N 3.21Å; Y29-K41 PolarHBondContact OH-O 2.97Å; R31-K41 HydrophobicContact CG-CG 4.24Å
42G84.9Confident81.4Confident15 Ų1568.4 Ų68.416%0.15538%0.381CS..EExtended strand (participates in β ladder)trans-178.9158.4170.700000109.7S28 Y29 C40S28-G42 WeakPolarHBondContact CA-O 3.32Å; Y29-G42 WeakPolarHBondContact CD1-O 3.5Å; Y29-G42 VanDerWaalsContact CE1-CA 3.42Å; Y29-G42 PolarHBondContact N-O 3.14Å; C40-G42 VanDerWaalsContact C-N 3.34Å
43S86.6Confident81.5Confident60 Ų6069.5 Ų69.542%0.4239%0.386SS..EExtended strand (participates in β ladder)trans-144.6143.1-176.4-167.60000109.5V26 L27 S28V26-S43 WeakPolarHBondContact CG1-OG 3.49Å; L27-S43 CarbonylContact O-C 3.59Å; L27-S43 WeakPolarHBondContact O-CA 3.08Å; S28-S43 PolarHBondContact OG-OG 3.42Å
44V86.1Confident81.4Confident4 Ų465.6 Ų65.62%0.02437%0.37CS..EExtended strand (participates in β ladder)trans-137.5121.9-172.1172.30000109.6V26 L27 C49 L65 Y70V26-V44 CarbonylContact C-O 3.57Å; V26-V44 WeakPolarHBondContact CA-O 3.17Å; L27-V44 PolarHBondContact N-O 3.08Å; L27-V44 PolarHBondContact O-N 3.4Å; V44-C49 HydrophobicContact CG1-CB 4.04Å; V44-L65 HydrophobicContact CB-CD2 3.9Å; V44-L65 HydrophobicContact CG1-CD1 3.98Å; V44-L65 HydrophobicContact CG1-CD2 3.29Å; V44-L65 HydrophobicContact CG1-CG 3.73Å; V44-L65 HydrophobicContact CG2-CD1 4.45Å; V44-L65 HydrophobicContact CG2-CD2 3.54Å; V44-Y70 HydrophobicContact CG2-CD2 4.2Å; V44-Y70 HydrophobicContact CG2-CE2 3.47Å; V44-Y70 VanDerWaalsContact CG2-CE2 3.47Å
45K84.7Confident81.1Confident125 Ų12564 Ų6454%0.54338%0.375SS..EExtended strand (participates in β ladder)trans-77.7122.5170.5-164.9175.8-177.9173.40109.5V26 S47 V48V26-K45 HydrophobicContact CG2-CG 4.5Å; K45-S47 WeakPolarHBondContact CD-OG 3.35Å; K45-S47 WeakPolarHBondContact CE-OG 3.49Å; K45-S47 WeakPolarHBondContact CG-OG 2.95Å; K45-S47 PolarHBondContact O-N 2.92Å; K45-V48 HydrophobicContact CB-CG2 4.39Å; K45-V48 WeakPolarHBondContact O-CG2 3.48Å; K45-V48 PolarHBondContact O-N 3.42Å
46L83.9Confident81.1Confident3 Ų363.1 Ų63.12%0.01638%0.376CS..G310 helixtrans-69.4-21.8-174.5-64.5-180000113.8L22 G25 L27 V48 C49 L87L22-L46 HydrophobicContact CD1-CD1 3.37Å; L22-L46 HydrophobicContact CD1-CG 4.22Å; L22-L46 HydrophobicContact CD2-CD1 4.26Å; L22-L46 HydrophobicContact CG-CD1 4.45Å; G25-L46 WeakPolarHBondContact O-CB 3.45Å; G25-L46 WeakPolarHBondContact O-CG 3.43Å; G25-L46 PolarHBondContact O-N 3.26Å; L27-L46 HydrophobicContact CB-CD2 4.12Å; L46-V48 PolarHBondContact O-N 3.24Å; L46-V48 VanDerWaalsContact O-N 3.15Å; L46-C49 HydrophobicContact CD2-CB 4.49Å; L46-C49 PolarHBondContact O-N 3.42Å; L46-C49 VanDerWaalsContact O-N 3.07Å; L46-L87 HydrophobicContact CD1-CB 4.41Å; L46-L87 HydrophobicContact CD1-CD2 3.85Å; L46-L87 HydrophobicContact CD2-CD2 3.53Å; L46-L87 HydrophobicContact CG-CD2 4.34Å
47S78.5Confident81.6Confident52 Ų5260.3 Ų60.336%0.36436%0.363SS..G310 helixtrans-59.6-24.5177.165.30000113.1K45K45-S47 WeakPolarHBondContact CD-OG 3.35Å; K45-S47 WeakPolarHBondContact CE-OG 3.49Å; K45-S47 WeakPolarHBondContact CG-OG 2.95Å; K45-S47 PolarHBondContact O-N 2.92Å
48V78.3Confident82.2Confident102 Ų10255.3 Ų55.362%0.61834%0.339SS*.G310 helixtrans-109.610.5178.9-620000113K45 L46K45-V48 HydrophobicContact CB-CG2 4.39Å; K45-V48 WeakPolarHBondContact O-CG2 3.48Å; K45-V48 PolarHBondContact O-N 3.42Å; L46-V48 PolarHBondContact O-N 3.24Å; L46-V48 VanDerWaalsContact O-N 3.15Å
49C80.9Confident83Confident1 Ų155.1 Ų55.11%0.00733%0.325CS..  trans-115.5131.8-173.1-176.10000111.1V44 L46 L63 I64 L65 K91V44-C49 HydrophobicContact CG1-CB 4.04Å; L46-C49 HydrophobicContact CD2-CB 4.49Å; L46-C49 PolarHBondContact O-N 3.42Å; L46-C49 VanDerWaalsContact O-N 3.07Å; C49-L63 VanDerWaalsContact SG-CB 3.56Å; C49-I64 CarbonylContact C-O 3.56Å; C49-I64 VanDerWaalsContact CA-O 3.3Å; C49-I64 WeakPolarHBondContact CA-O 3.37Å; C49-L65 HydrophobicContact CB-CD1 4.5Å; C49-L65 HydrophobicContact CB-CG 4.27Å; C49-K91 VanDerWaalsContact O-CE 3.31Å; C49-K91 WeakPolarHBondContact O-CE 3.47Å; C49-K91 PolarHBondContact O-NZ 2.89Å
50D83.2Confident83.8Confident80 Ų8055.5 Ų55.543%0.42832%0.315SS..EExtended strand (participates in β ladder)trans-93.7139.4167.8-66.1-35.3000110.8L63 I64 K91D50-L63 CarbonylContact O-C 3.53Å; D50-L63 WeakPolarHBondContact O-CA 3.38Å; D50-I64 HydrophobicContact CB-CB 4.4Å; D50-I64 PolarHBondContact N-O 2.57Å; D50-I64 PolarHBondContact O-N 3.12Å; D50-K91 IonicContact OD1-NZ 3.07Å; D50-K91 PolarHBondContact OD1-NZ 2.69Å
51V87.1Confident84.3Confident44 Ų4452.6 Ų52.627%0.26730%0.295SS..EExtended strand (participates in β ladder)trans-108.2112.6180-175.50000107.5F61 L63 V84 L87V51-F61 HydrophobicContact CG1-CD2 4.35Å; V51-L63 HydrophobicContact CB-CD2 4.36Å; V51-L63 HydrophobicContact CG1-CD2 4.24Å; V51-L63 HydrophobicContact CG2-CD2 3.79Å; V51-V84 HydrophobicContact CG1-CG1 4.45Å; V51-V84 HydrophobicContact CG1-CG2 4.33Å; V51-L87 HydrophobicContact CG1-CD1 4.33Å; V51-L87 HydrophobicContact CG2-CB 3.99Å; V51-L87 HydrophobicContact CG2-CD1 4.4Å
52I87.7Confident84.6Confident78 Ų7848.3 Ų48.340%0.428%0.277SS..EExtended strand (participates in β ladder)trans-110.3116.6179.8-56.8-166.4000108.8F61 D62 I64I52-F61 CarbonylContact O-C 3.58Å; I52-F61 VanDerWaalsContact O-CA 3.27Å; I52-F61 WeakPolarHBondContact O-CA 3.3Å; I52-D62 PolarHBondContact N-O 3.13Å; I52-D62 PolarHBondContact O-N 3.13Å; I52-I64 HydrophobicContact CD1-CD1 3.36Å; I52-I64 HydrophobicContact CD1-CG1 4.22Å; I52-I64 HydrophobicContact CG1-CD1 4.16Å
53V87.7Confident84.9Confident58 Ų5847.6 Ų47.635%0.35227%0.269SS..EExtended strand (participates in β ladder)trans-74.5132.8171.8-178.60000108.4S55 V84V53-S55 PolarHBondContact O-N 3.35Å; V53-V84 HydrophobicContact CG2-CG1 4.01Å; V53-V84 HydrophobicContact CG2-CG2 3.88Å
54H82.4Confident84.8Confident26 Ų2646.9 Ų46.912%0.1226%0.26CS..  trans-67.9131.2176.6-161.8-78.5000109.8S56 D57 R60 E169H54-S56 PolarHBondContact ND1-N 3.35Å; H54-S56 VanDerWaalsContact ND1-N 3.19Å; H54-D57 HydrophobicContact CB-CB 4.44Å; H54-D57 PolarHBondContact ND1-N 2.68Å; H54-R60 HydrophobicContact CB-CB 3.74Å; H54-R60 HydrophobicContact CB-CG 3.87Å; H54-R60 WeakPolarHBondContact CB-O 3.28Å; H54-R60 WeakPolarHBondContact CD2-CD 3.41Å; H54-R60 PolarHBondContact CD2-NE 3.43Å; H54-R60 VanDerWaalsContact CD2-NE 3.33Å; H54-R60 PolarHBondContact CD2-NH1 3.32Å; H54-R60 PolarHBondContact N-O 3.27Å; H54-R60 VanDerWaalsContact N-O 3.1Å; H54-R60 PolarHBondContact NE2-NH1 3.15Å; H54-E169 IonicContact CE1-OE1 2.73Å; H54-E169 PolarHBondContact CE1-OE1 2.67Å; H54-E169 IonicContact ND1-OE1 2.76Å; H54-E169 IonicContact NE2-OE1 2.77Å
55S76.5Confident84.6Confident113 Ų11348.6 Ų48.679%0.7927%0.269SS*.SBendtrans-62.7-45-178.846.40000111.9V53V53-S55 PolarHBondContact O-N 3.35Å
56S75.7Confident84Confident53 Ų5346 Ų4637%0.37128%0.278SS..SBendtrans-91.1-43.8-172.4-41.90000114.6H54 P58 E169H54-S56 PolarHBondContact ND1-N 3.35Å; H54-S56 VanDerWaalsContact ND1-N 3.19Å; S56-P58 VanDerWaalsContact O-CD 3.29Å; S56-P58 WeakPolarHBondContact O-CD 3.49Å; S56-E169 VanDerWaalsContact CB-OE1 3.29Å; S56-E169 WeakPolarHBondContact CB-OE1 3.45Å; S56-E169 WeakPolarHBondContact OG-CG 3.37Å; S56-E169 PolarHBondContact OG-OE1 3.33Å
57D84.5Confident83.5Confident19 Ų1954.5 Ų54.510%0.10232%0.318CS..  trans-90.7108.1-179177.5-3.3000110.9H54 R59 R60 R73H54-D57 HydrophobicContact CB-CB 4.44Å; H54-D57 PolarHBondContact ND1-N 2.68Å; D57-R59 PolarHBondContact O-N 3.23Å; D57-R59 WeakPolarHBondContact OD1-CB 3.41Å; D57-R59 PolarHBondContact OD1-N 3.04Å; D57-R60 HydrophobicContact CB-CB 3.8Å; D57-R60 PolarHBondContact O-N 3.03Å; D57-R60 VanDerWaalsContact OD2-CB 3.31Å; D57-R60 WeakPolarHBondContact OD2-CB 3.26Å; D57-R73 IonicContact OD2-CZ 2.62Å; D57-R73 IonicContact OD2-NE 2.73Å; D57-R73 PolarHBondContact OD2-NE 3.24Å; D57-R73 IonicContact OD2-NH2 3.88Å; D57-R73 PolarHBondContact OD2-NH2 3.4Å
58P84.3Confident83.3Confident53 Ų5356 Ų5634%0.34432%0.319SS..THydrogen-bonded Turntrans-67.5-9.8-174.529.5-36.8000113.7S56 R77 R80S56-P58 VanDerWaalsContact O-CD 3.29Å; S56-P58 WeakPolarHBondContact O-CD 3.49Å; P58-R77 HydrophobicContact CB-CB 4.49Å; P58-R77 HydrophobicContact CB-CG 4.2Å; P58-R80 VanDerWaalsContact O-CZ 3.31Å; P58-R80 PolarHBondContact O-NE 2.88Å; P58-R80 PolarHBondContact O-NH2 2.6Å
59R89.9Confident83.6Confident81 Ų8156.1 Ų56.131%0.30631%0.308SS..THydrogen-bonded Turntrans-101.3-11.4177.2-61.1-175.1-63123.7-6.2112.8D57 R73 A74D57-R59 PolarHBondContact O-N 3.23Å; D57-R59 WeakPolarHBondContact OD1-CB 3.41Å; D57-R59 PolarHBondContact OD1-N 3.04Å; R59-R73 HydrophobicContact CB-CG 3.92Å; R59-R73 CarbonylContact O-C 3.49Å; R59-R73 WeakPolarHBondContact O-CA 3.35Å; R59-A74 PolarHBondContact NH1-O 3.18Å; R59-A74 PolarHBondContact O-N 3.29Å
60R91.5Very high84Confident47 Ų4757.9 Ų57.918%0.17732%0.315CS..EExtended strand (participates in β ladder)trans-97.5143.5-174.6-179.2175.4165.4-163.7-7.5112.3W15 H54 D57 D62 L72W15-R60 HydrophobicContact CH2-CG 4.4Å; H54-R60 HydrophobicContact CB-CB 3.74Å; H54-R60 HydrophobicContact CB-CG 3.87Å; H54-R60 WeakPolarHBondContact CB-O 3.28Å; H54-R60 WeakPolarHBondContact CD2-CD 3.41Å; H54-R60 PolarHBondContact CD2-NE 3.43Å; H54-R60 VanDerWaalsContact CD2-NE 3.33Å; H54-R60 PolarHBondContact CD2-NH1 3.32Å; H54-R60 PolarHBondContact N-O 3.27Å; H54-R60 VanDerWaalsContact N-O 3.1Å; H54-R60 PolarHBondContact NE2-NH1 3.15Å; D57-R60 HydrophobicContact CB-CB 3.8Å; D57-R60 PolarHBondContact O-N 3.03Å; D57-R60 VanDerWaalsContact OD2-CB 3.31Å; D57-R60 WeakPolarHBondContact OD2-CB 3.26Å; R60-D62 IonicContact CZ-OD1 3.84Å; R60-D62 IonicContact CZ-OD2 3.6Å; R60-D62 IonicContact NE-OD1 2.65Å; R60-D62 PolarHBondContact NE-OD1 3.43Å; R60-D62 IonicContact NE-OD2 3.24Å; R60-D62 IonicContact NH2-OD1 3.69Å; R60-D62 IonicContact NH2-OD2 2.79Å; R60-D62 PolarHBondContact NH2-OD2 3.46Å; R60-L72 CarbonylContact C-O 3.48Å; R60-L72 VanDerWaalsContact CA-O 3.28Å; R60-L72 WeakPolarHBondContact CA-O 3.39Å; R60-L72 WeakPolarHBondContact CG-O 3.38Å
61F91.5Very high84.5Confident0 Ų057.9 Ų57.90%031%0.309CS..EExtended strand (participates in β ladder)trans-149146.2169.164-78.5000107.8L5 V51 I52 L63 L72 R80 W83 V84 L87L5-F61 HydrophobicContact CD1-CE1 4.31Å; L5-F61 HydrophobicContact CD1-CZ 3.64Å; L5-F61 HydrophobicContact CD2-CE1 3.93Å; L5-F61 HydrophobicContact CD2-CZ 4.09Å; V51-F61 HydrophobicContact CG1-CD2 4.35Å; I52-F61 CarbonylContact O-C 3.58Å; I52-F61 VanDerWaalsContact O-CA 3.27Å; I52-F61 WeakPolarHBondContact O-CA 3.3Å; F61-L63 HydrophobicContact CD2-CD2 4.37Å; F61-L63 HydrophobicContact CE2-CD2 4.42Å; F61-L72 HydrophobicContact CD1-CB 4.38Å; F61-L72 HydrophobicContact CD2-CB 4.34Å; F61-L72 HydrophobicContact CD2-CD1 4.38Å; F61-L72 HydrophobicContact CE1-CB 4.06Å; F61-L72 HydrophobicContact CE2-CB 4Å; F61-L72 HydrophobicContact CE2-CD1 3.61Å; F61-L72 HydrophobicContact CE2-CG 4.41Å; F61-L72 HydrophobicContact CZ-CB 3.87Å; F61-L72 HydrophobicContact CZ-CD1 3.94Å; F61-L72 PolarHBondContact N-O 2.85Å; F61-L72 CarbonylContact O-C 3.52Å; F61-L72 WeakPolarHBondContact O-CA 3.41Å; F61-L72 WeakPolarHBondContact O-CB 3.31Å; F61-L72 PolarHBondContact O-N 2.74Å; F61-R80 HydrophobicContact CB-CG 4.45Å; F61-R80 HydrophobicContact CD1-CG 3.62Å; F61-R80 HydrophobicContact CE1-CG 4.3Å; F61-R80 HydrophobicContact CG-CG 4.39Å; F61-W83 HydrophobicContact CE1-CB 4.08Å; F61-W83 HydrophobicContact CE2-CB 4.46Å; F61-W83 HydrophobicContact CZ-CB 3.75Å; F61-W83 HydrophobicContact CZ-CG 4.13Å; F61-V84 HydrophobicContact CB-CG2 4.11Å; F61-V84 HydrophobicContact CD2-CG2 4.48Å; F61-V84 HydrophobicContact CG-CG2 4.16Å; F61-L87 HydrophobicContact CD2-CD1 4.17Å; F61-L87 HydrophobicContact CE2-CD1 3.59Å; F61-L87 HydrophobicContact CZ-CD1 4.4Å
62D91.7Very high84.8Confident1 Ų155.8 Ų55.81%0.00530%0.297CS..EExtended strand (participates in β ladder)trans-116.3143.9-176.9-60.4-16000109.2I52 R60 R69 Y70 Y71I52-D62 PolarHBondContact N-O 3.13Å; I52-D62 PolarHBondContact O-N 3.13Å; R60-D62 IonicContact CZ-OD1 3.84Å; R60-D62 IonicContact CZ-OD2 3.6Å; R60-D62 IonicContact NE-OD1 2.65Å; R60-D62 PolarHBondContact NE-OD1 3.43Å; R60-D62 IonicContact NE-OD2 3.24Å; R60-D62 IonicContact NH2-OD1 3.69Å; R60-D62 IonicContact NH2-OD2 2.79Å; R60-D62 PolarHBondContact NH2-OD2 3.46Å; D62-R69 HydrophobicContact CB-CG 4.34Å; D62-R69 IonicContact OD2-CZ 3.38Å; D62-R69 VanDerWaalsContact OD2-CZ 3.26Å; D62-R69 IonicContact OD2-NE 2.71Å; D62-R69 PolarHBondContact OD2-NE 2.66Å; D62-R69 VanDerWaalsContact OD2-NE 3.1Å; D62-R69 IonicContact OD2-NH2 3.03Å; D62-R69 PolarHBondContact OD2-NH2 2.87Å; D62-Y70 CarbonylContact C-O 3.57Å; D62-Y70 VanDerWaalsContact CA-O 3.26Å; D62-Y70 WeakPolarHBondContact CA-O 3.43Å; D62-Y71 WeakPolarHBondContact OD1-CA 3.48Å; D62-Y71 WeakPolarHBondContact OD2-CD1 3.31Å
63L90.3Very high85.2Confident0 Ų054.8 Ų54.80%029%0.288CS..EExtended strand (participates in β ladder)trans-105123.8173.1-58.9-179.2000108.5L27 C49 D50 V51 F61 L65 R69 Y70 L72 L87L27-L63 HydrophobicContact CD2-CD1 3.31Å; C49-L63 VanDerWaalsContact SG-CB 3.56Å; D50-L63 CarbonylContact O-C 3.53Å; D50-L63 WeakPolarHBondContact O-CA 3.38Å; V51-L63 HydrophobicContact CB-CD2 4.36Å; V51-L63 HydrophobicContact CG1-CD2 4.24Å; V51-L63 HydrophobicContact CG2-CD2 3.79Å; F61-L63 HydrophobicContact CD2-CD2 4.37Å; F61-L63 HydrophobicContact CE2-CD2 4.42Å; L63-L65 HydrophobicContact CB-CD1 3.98Å; L63-R69 CarbonylContact O-C 3.6Å; L63-R69 VanDerWaalsContact O-CA 3.31Å; L63-R69 WeakPolarHBondContact O-CA 3.46Å; L63-Y70 PolarHBondContact N-O 3.03Å; L63-Y70 PolarHBondContact O-N 3.49Å; L63-L72 HydrophobicContact CD1-CD1 3.55Å; L63-L72 HydrophobicContact CG-CD1 3.83Å; L63-L87 HydrophobicContact CD2-CD1 4.05Å
64I85.1Confident85.5Confident45 Ų4552 Ų5223%0.23127%0.271CS..EExtended strand (participates in β ladder)trans-107.7123.4177.4-57.5-170.5000109.2C49 D50 I52 R69C49-I64 CarbonylContact C-O 3.56Å; C49-I64 VanDerWaalsContact CA-O 3.3Å; C49-I64 WeakPolarHBondContact CA-O 3.37Å; D50-I64 HydrophobicContact CB-CB 4.4Å; D50-I64 PolarHBondContact N-O 2.57Å; D50-I64 PolarHBondContact O-N 3.12Å; I52-I64 HydrophobicContact CD1-CD1 3.36Å; I52-I64 HydrophobicContact CD1-CG1 4.22Å; I52-I64 HydrophobicContact CG1-CD1 4.16Å; I64-R69 HydrophobicContact CG1-CG 4.28Å
65L81.9Confident85.8Confident39 Ų3955.7 Ų55.720%0.20429%0.291CS..EExtended strand (participates in β ladder)trans-128.383.5179.8-62.975.7000108.7V44 C49 L63 E67 Q68V44-L65 HydrophobicContact CB-CD2 3.9Å; V44-L65 HydrophobicContact CG1-CD1 3.98Å; V44-L65 HydrophobicContact CG1-CD2 3.29Å; V44-L65 HydrophobicContact CG1-CG 3.73Å; V44-L65 HydrophobicContact CG2-CD1 4.45Å; V44-L65 HydrophobicContact CG2-CD2 3.54Å; C49-L65 HydrophobicContact CB-CD1 4.5Å; C49-L65 HydrophobicContact CB-CG 4.27Å; L63-L65 HydrophobicContact CB-CD1 3.98Å; L65-E67 PolarHBondContact O-N 3.28Å; L65-E67 VanDerWaalsContact O-N 3.08Å; L65-Q68 HydrophobicContact CB-CB 4.33Å; L65-Q68 PolarHBondContact N-O 3.46Å; L65-Q68 PolarHBondContact O-N 2.96Å
66G72.6Confident86.4Confident72 Ų7252.7 Ų52.774%0.74227%0.27SS*.THydrogen-bonded Turntrans54.9-117.1-171.100000110.8
67E71.5Confident87Confident181 Ų18158 Ų5885%0.84628%0.282SS*.THydrogen-bonded Turntrans-79.3-12178.7-60.3-177.2171.400114.7L65L65-E67 PolarHBondContact O-N 3.28Å; L65-E67 VanDerWaalsContact O-N 3.08Å
68Q74.4Confident87.1Confident82 Ų8259.8 Ų59.838%0.38330%0.3SS..EExtended strand (participates in β ladder)trans-95.6130.5-178.3-63.1-63.3-42.200110.7L65L65-Q68 HydrophobicContact CB-CB 4.33Å; L65-Q68 PolarHBondContact N-O 3.46Å; L65-Q68 PolarHBondContact O-N 2.96Å
69R85.9Confident87.4Confident106 Ų10658.6 Ų58.640%0.429%0.29SS..EExtended strand (participates in β ladder)trans-120.6125.2174.7-172.5166.4178.5176.92.3110.7D62 L63 I64 Y71D62-R69 HydrophobicContact CB-CG 4.34Å; D62-R69 IonicContact OD2-CZ 3.38Å; D62-R69 VanDerWaalsContact OD2-CZ 3.26Å; D62-R69 IonicContact OD2-NE 2.71Å; D62-R69 PolarHBondContact OD2-NE 2.66Å; D62-R69 VanDerWaalsContact OD2-NE 3.1Å; D62-R69 IonicContact OD2-NH2 3.03Å; D62-R69 PolarHBondContact OD2-NH2 2.87Å; L63-R69 CarbonylContact O-C 3.6Å; L63-R69 VanDerWaalsContact O-CA 3.31Å; L63-R69 WeakPolarHBondContact O-CA 3.46Å; I64-R69 HydrophobicContact CG1-CG 4.28Å; R69-Y71 HydrophobicContact CB-CE2 4.5Å; R69-Y71 VanDerWaalsContact CD-CE1 3.49Å; R69-Y71 HydrophobicContact CG-CD1 4.19Å; R69-Y71 HydrophobicContact CG-CE1 3.78Å; R69-Y71 HydrophobicContact CG-CE2 4.36Å; R69-Y71 VanDerWaalsContact NE-CE1 3.31Å
70Y89.6Confident87.6Confident38 Ų3855.6 Ų55.615%0.14928%0.279CS..EExtended strand (participates in β ladder)trans-101115.2170.8-65.30.2000109.2Y29 V44 D62 L63Y29-Y70 HydrophobicContact CD1-CE2 4.5Å; Y29-Y70 HydrophobicContact CE1-CE2 4.12Å; V44-Y70 HydrophobicContact CG2-CD2 4.2Å; V44-Y70 HydrophobicContact CG2-CE2 3.47Å; V44-Y70 VanDerWaalsContact CG2-CE2 3.47Å; D62-Y70 CarbonylContact C-O 3.57Å; D62-Y70 VanDerWaalsContact CA-O 3.26Å; D62-Y70 WeakPolarHBondContact CA-O 3.43Å; L63-Y70 PolarHBondContact N-O 3.03Å; L63-Y70 PolarHBondContact O-N 3.49Å
71Y92.3Very high87.4Confident79 Ų7957.2 Ų57.231%0.3129%0.288SS..EExtended strand (participates in β ladder)trans-84.7118.1172.2-49.1-80.2000109.1K7 W8 W15 D62 R69K7-Y71 WeakPolarHBondContact CA-O 3.26Å; W8-Y71 HydrophobicContact CB-CD2 4.12Å; W8-Y71 HydrophobicContact CB-CG 4.34Å; W8-Y71 HydrophobicContact CG-CD2 4.36Å; W8-Y71 PolarHBondContact N-O 3.12Å; W15-Y71 VanDerWaalsContact CZ3-O 3.3Å; W15-Y71 WeakPolarHBondContact CZ3-O 3.1Å; D62-Y71 WeakPolarHBondContact OD1-CA 3.48Å; D62-Y71 WeakPolarHBondContact OD2-CD1 3.31Å; R69-Y71 HydrophobicContact CB-CE2 4.5Å; R69-Y71 VanDerWaalsContact CD-CE1 3.49Å; R69-Y71 HydrophobicContact CG-CD1 4.19Å; R69-Y71 HydrophobicContact CG-CE1 3.78Å; R69-Y71 HydrophobicContact CG-CE2 4.36Å; R69-Y71 VanDerWaalsContact NE-CE1 3.31Å
72L95Very high87.4Confident0 Ų064.8 Ų64.80%032%0.317CS..EExtended strand (participates in β ladder)trans-124.3140-175.8-56.2177.5000110.7L5 L6 K7 F20 R60 F61 L63L5-L72 HydrophobicContact CD1-CD1 4.18Å; L6-L72 CarbonylContact O-C 3.48Å; L6-L72 WeakPolarHBondContact O-CA 3.45Å; K7-L72 HydrophobicContact CB-CD2 3.84Å; K7-L72 HydrophobicContact CD-CD2 4.45Å; K7-L72 HydrophobicContact CG-CD2 3.81Å; F20-L72 HydrophobicContact CE1-CD1 4.24Å; F20-L72 HydrophobicContact CE1-CD2 4Å; F20-L72 HydrophobicContact CE2-CD2 4.1Å; F20-L72 HydrophobicContact CZ-CD1 4.38Å; F20-L72 HydrophobicContact CZ-CD2 3.39Å; R60-L72 CarbonylContact C-O 3.48Å; R60-L72 VanDerWaalsContact CA-O 3.28Å; R60-L72 WeakPolarHBondContact CA-O 3.39Å; R60-L72 WeakPolarHBondContact CG-O 3.38Å; F61-L72 HydrophobicContact CD1-CB 4.38Å; F61-L72 HydrophobicContact CD2-CB 4.34Å; F61-L72 HydrophobicContact CD2-CD1 4.38Å; F61-L72 HydrophobicContact CE1-CB 4.06Å; F61-L72 HydrophobicContact CE2-CB 4Å; F61-L72 HydrophobicContact CE2-CD1 3.61Å; F61-L72 HydrophobicContact CE2-CG 4.41Å; F61-L72 HydrophobicContact CZ-CB 3.87Å; F61-L72 HydrophobicContact CZ-CD1 3.94Å; F61-L72 PolarHBondContact N-O 2.85Å; F61-L72 CarbonylContact O-C 3.52Å; F61-L72 WeakPolarHBondContact O-CA 3.41Å; F61-L72 WeakPolarHBondContact O-CB 3.31Å; F61-L72 PolarHBondContact O-N 2.74Å; L63-L72 HydrophobicContact CD1-CD1 3.55Å; L63-L72 HydrophobicContact CG-CD1 3.83Å
73R94.2Very high87.5Confident58 Ų5864.8 Ų64.822%0.21932%0.317CS..EExtended strand (participates in β ladder)trans-133.3124.3177.3-178.4-174-96.7177.3-3.7109L6 W15 D57 R59L6-R73 HydrophobicContact CB-CB 4.19Å; L6-R73 WeakPolarHBondContact CB-O 3.01Å; L6-R73 PolarHBondContact N-O 3.02Å; L6-R73 PolarHBondContact O-N 3.41Å; W15-R73 HydrophobicContact CE3-CB 4.06Å; W15-R73 HydrophobicContact CH2-CB 4.03Å; W15-R73 HydrophobicContact CZ3-CB 3.7Å; D57-R73 IonicContact OD2-CZ 2.62Å; D57-R73 IonicContact OD2-NE 2.73Å; D57-R73 PolarHBondContact OD2-NE 3.24Å; D57-R73 IonicContact OD2-NH2 3.88Å; D57-R73 PolarHBondContact OD2-NH2 3.4Å; R59-R73 HydrophobicContact CB-CG 3.92Å; R59-R73 CarbonylContact O-C 3.49Å; R59-R73 WeakPolarHBondContact O-CA 3.35Å
74A94.2Very high87.5Confident0 Ų066 Ų660%033%0.325CS..  trans-80.2166.6178.200000112.1L5 R59 S76 D79 R80L5-A74 HydrophobicContact CD2-CB 3.74Å; R59-A74 PolarHBondContact NH1-O 3.18Å; R59-A74 PolarHBondContact O-N 3.29Å; A74-S76 VanDerWaalsContact C-N 3.29Å; A74-S76 PolarHBondContact O-N 3.32Å; A74-D79 HydrophobicContact CB-CB 4.17Å; A74-R80 HydrophobicContact CB-CB 3.65Å; A74-R80 VanDerWaalsContact CB-N 3.3Å
75L89.5Confident87.5Confident102 Ų10268.3 Ų68.353%0.53434%0.336SS..SBendtrans-69.8-29.1178-61.9178.3000111.9I4I4-L75 HydrophobicContact CB-CD1 4.29Å; I4-L75 HydrophobicContact CG2-CD1 4.33Å; I4-L75 HydrophobicContact CG2-CD2 4.36Å
76S88.8Confident87.8Confident51 Ų5167.5 Ų67.536%0.35734%0.335SS..SBendtrans-146.9165.9176.772.10000112.1A74 A78 D79 R80A74-S76 VanDerWaalsContact C-N 3.29Å; A74-S76 PolarHBondContact O-N 3.32Å; S76-A78 VanDerWaalsContact C-N 3.29Å; S76-A78 PolarHBondContact O-N 3.37Å; S76-D79 PolarHBondContact O-N 3.44Å; S76-D79 VanDerWaalsContact OG-CB 3.29Å; S76-D79 WeakPolarHBondContact OG-CB 3.4Å; S76-D79 PolarHBondContact OG-N 3.4Å; S76-R80 PolarHBondContact O-N 3.26Å
77R87.6Confident88.6Confident165 Ų16564.1 Ų64.162%0.62330%0.3SS*.Hα-helixtrans-59.4-41.6173.9-178.5-178.9-179.4120.7-0111.6P58 D79 R80 Q81P58-R77 HydrophobicContact CB-CB 4.49Å; P58-R77 HydrophobicContact CB-CG 4.2Å; R77-D79 VanDerWaalsContact C-N 3.34Å; R77-R80 PolarHBondContact O-N 3.11Å; R77-Q81 PolarHBondContact O-N 3.17Å
78A87.3Confident89.1Confident56 Ų5657.1 Ų57.146%0.46328%0.276SS..Hα-helixtrans-63.6-42.1177.400000111.2S76 Q81 R82S76-A78 VanDerWaalsContact C-N 3.29Å; S76-A78 PolarHBondContact O-N 3.37Å; A78-Q81 WeakPolarHBondContact O-CB 3.27Å; A78-Q81 PolarHBondContact O-N 3.41Å; A78-R82 WeakPolarHBondContact O-CG 3.05Å; A78-R82 PolarHBondContact O-N 2.69Å
79D92Very high89.2Confident28 Ų2856.9 Ų56.915%0.1528%0.284CS..Hα-helixtrans-67-42.8178.4-16545.3000111.9A74 S76 R77 Q81 R82 W83A74-D79 HydrophobicContact CB-CB 4.17Å; S76-D79 PolarHBondContact O-N 3.44Å; S76-D79 VanDerWaalsContact OG-CB 3.29Å; S76-D79 WeakPolarHBondContact OG-CB 3.4Å; S76-D79 PolarHBondContact OG-N 3.4Å; R77-D79 VanDerWaalsContact C-N 3.34Å; D79-Q81 VanDerWaalsContact C-N 3.27Å; D79-Q81 PolarHBondContact O-N 3.19Å; D79-R82 WeakPolarHBondContact O-CB 3.05Å; D79-R82 PolarHBondContact O-N 3.36Å; D79-R82 VanDerWaalsContact O-N 3.17Å; D79-W83 VanDerWaalsContact O-CD1 3.27Å; D79-W83 PolarHBondContact O-N 3.04Å
80R92.7Very high88.6Confident17 Ų1753.7 Ų53.76%0.06428%0.278CS..Hα-helixtrans-54.6-45.3170.2179.7-90.7-61.4179.2-9.6111.3P58 F61 A74 S76 R77 R82 W83 V84P58-R80 VanDerWaalsContact O-CZ 3.31Å; P58-R80 PolarHBondContact O-NE 2.88Å; P58-R80 PolarHBondContact O-NH2 2.6Å; F61-R80 HydrophobicContact CB-CG 4.45Å; F61-R80 HydrophobicContact CD1-CG 3.62Å; F61-R80 HydrophobicContact CE1-CG 4.3Å; F61-R80 HydrophobicContact CG-CG 4.39Å; A74-R80 HydrophobicContact CB-CB 3.65Å; A74-R80 VanDerWaalsContact CB-N 3.3Å; S76-R80 PolarHBondContact O-N 3.26Å; R77-R80 PolarHBondContact O-N 3.11Å; R80-R82 VanDerWaalsContact C-N 3.35Å; R80-R82 PolarHBondContact O-N 3.43Å; R80-W83 PolarHBondContact O-N 3.38Å; R80-V84 HydrophobicContact CG-CG2 4.34Å; R80-V84 VanDerWaalsContact O-CG2 3.32Å; R80-V84 WeakPolarHBondContact O-CG2 3.29Å; R80-V84 PolarHBondContact O-N 3.03Å
81Q88.6Confident87.2Confident81 Ų8155.4 Ų55.438%0.37929%0.286SS..Hα-helixtrans-63.7-40.8-179.8-170.96034.900111.8R77 A78 D79 W83 V84 I85R77-Q81 PolarHBondContact O-N 3.17Å; A78-Q81 WeakPolarHBondContact O-CB 3.27Å; A78-Q81 PolarHBondContact O-N 3.41Å; D79-Q81 VanDerWaalsContact C-N 3.27Å; D79-Q81 PolarHBondContact O-N 3.19Å; Q81-W83 VanDerWaalsContact C-N 3.34Å; Q81-W83 PolarHBondContact O-N 3.29Å; Q81-V84 PolarHBondContact O-N 3.32Å; Q81-I85 HydrophobicContact CG-CD1 3.9Å; Q81-I85 HydrophobicContact CG-CG1 4.47Å; Q81-I85 WeakPolarHBondContact O-CB 3.41Å; Q81-I85 VanDerWaalsContact O-CG1 3.24Å; Q81-I85 WeakPolarHBondContact O-CG1 3.41Å; Q81-I85 PolarHBondContact O-N 3.43Å
82R90.5Very high85.3Confident160 Ų16057.8 Ų57.860%0.60431%0.308SS*.Hα-helixtrans-59.3-45.2173.6-68176-165.21630.3111.5M1 A78 D79 R80 I85 A86M1-R82 HydrophobicContact CE-CB 3.78Å; A78-R82 WeakPolarHBondContact O-CG 3.05Å; A78-R82 PolarHBondContact O-N 2.69Å; D79-R82 WeakPolarHBondContact O-CB 3.05Å; D79-R82 PolarHBondContact O-N 3.36Å; D79-R82 VanDerWaalsContact O-N 3.17Å; R80-R82 VanDerWaalsContact C-N 3.35Å; R80-R82 PolarHBondContact O-N 3.43Å; R82-I85 PolarHBondContact O-N 3.07Å; R82-A86 WeakPolarHBondContact O-CB 3.49Å; R82-A86 PolarHBondContact O-N 3.39Å
83W93.6Very high83Confident0 Ų061 Ų610%034%0.342CS..Hα-helixtrans-61.3-50.1177.8-84104.4000111.7M1 L5 F20 L22 L27 F61 D79 R80 Q81 I85 A86 L87M1-W83 HydrophobicContact CE-CB 4.19Å; M1-W83 HydrophobicContact CE-CD2 3.43Å; M1-W83 VanDerWaalsContact CE-CD2 3.43Å; M1-W83 HydrophobicContact CE-CE3 4.02Å; M1-W83 HydrophobicContact CE-CG 3.48Å; M1-W83 VanDerWaalsContact CE-CG 3.48Å; M1-W83 HydrophobicContact CE-CZ2 4.18Å; M1-W83 HydrophobicContact CG-CE3 4.48Å; M1-W83 HydrophobicContact CG-CH2 4.36Å; M1-W83 HydrophobicContact CG-CZ3 4.31Å; M1-W83 HydrophobicContact SD-CD2 3.92Å; M1-W83 HydrophobicContact SD-CE3 3.87Å; M1-W83 HydrophobicContact SD-CG 4.29Å; M1-W83 HydrophobicContact SD-CZ3 4.29Å; L5-W83 HydrophobicContact CD1-CD2 3.88Å; L5-W83 HydrophobicContact CD1-CE3 4.29Å; L5-W83 HydrophobicContact CD1-CG 4.26Å; L5-W83 HydrophobicContact CD1-CZ2 4.13Å; L5-W83 HydrophobicContact CD2-CD2 4.39Å; L5-W83 HydrophobicContact CD2-CG 4.1Å; L5-W83 HydrophobicContact CG-CD2 4.35Å; L5-W83 HydrophobicContact CG-CZ2 4.2Å; F20-W83 HydrophobicContact CB-CH2 3.44Å; F20-W83 VanDerWaalsContact CB-CH2 3.44Å; F20-W83 HydrophobicContact CB-CZ2 3.9Å; F20-W83 HydrophobicContact CB-CZ3 4.15Å; L22-W83 HydrophobicContact CB-CZ3 4.21Å; L27-W83 HydrophobicContact CD1-CE3 4.47Å; L27-W83 HydrophobicContact CD1-CH2 4.38Å; L27-W83 HydrophobicContact CD1-CZ3 3.66Å; F61-W83 HydrophobicContact CE1-CB 4.08Å; F61-W83 HydrophobicContact CE2-CB 4.46Å; F61-W83 HydrophobicContact CZ-CB 3.75Å; F61-W83 HydrophobicContact CZ-CG 4.13Å; D79-W83 VanDerWaalsContact O-CD1 3.27Å; D79-W83 PolarHBondContact O-N 3.04Å; R80-W83 PolarHBondContact O-N 3.38Å; Q81-W83 VanDerWaalsContact C-N 3.34Å; Q81-W83 PolarHBondContact O-N 3.29Å; W83-I85 VanDerWaalsContact C-N 3.33Å; W83-I85 PolarHBondContact O-N 3.36Å; W83-A86 PolarHBondContact O-N 3.42Å; W83-L87 WeakPolarHBondContact O-CB 3.44Å; W83-L87 WeakPolarHBondContact O-CD1 2.87Å; W83-L87 WeakPolarHBondContact O-CG 3.38Å; W83-L87 PolarHBondContact O-N 3.09Å
84V89.6Confident80.3Confident27 Ų2762.2 Ų62.216%0.16436%0.356CS..Hα-helixtrans-59.4-43.5179.2172.30000111.6V51 V53 F61 R80 Q81 G88V51-V84 HydrophobicContact CG1-CG1 4.45Å; V51-V84 HydrophobicContact CG1-CG2 4.33Å; V53-V84 HydrophobicContact CG2-CG1 4.01Å; V53-V84 HydrophobicContact CG2-CG2 3.88Å; F61-V84 HydrophobicContact CB-CG2 4.11Å; F61-V84 HydrophobicContact CD2-CG2 4.48Å; F61-V84 HydrophobicContact CG-CG2 4.16Å; R80-V84 HydrophobicContact CG-CG2 4.34Å; R80-V84 VanDerWaalsContact O-CG2 3.32Å; R80-V84 WeakPolarHBondContact O-CG2 3.29Å; R80-V84 PolarHBondContact O-N 3.03Å; Q81-V84 PolarHBondContact O-N 3.32Å; V84-G88 PolarHBondContact O-N 3.46Å
85I86.6Confident77.2Confident93 Ų9368.4 Ų68.448%0.47739%0.394SS..Hα-helixtrans-61.9-49.7176.5-69.1167.4000110.3Q81 R82 W83 L87 G88 S89Q81-I85 HydrophobicContact CG-CD1 3.9Å; Q81-I85 HydrophobicContact CG-CG1 4.47Å; Q81-I85 WeakPolarHBondContact O-CB 3.41Å; Q81-I85 VanDerWaalsContact O-CG1 3.24Å; Q81-I85 WeakPolarHBondContact O-CG1 3.41Å; Q81-I85 PolarHBondContact O-N 3.43Å; R82-I85 PolarHBondContact O-N 3.07Å; W83-I85 VanDerWaalsContact C-N 3.33Å; W83-I85 PolarHBondContact O-N 3.36Å; I85-L87 PolarHBondContact O-N 3.18Å; I85-G88 PolarHBondContact O-N 3.22Å; I85-S89 WeakPolarHBondContact O-CB 3.31Å; I85-S89 PolarHBondContact O-N 3.18Å; I85-S89 PolarHBondContact O-OG 3.15Å; I85-S89 VanDerWaalsContact O-OG 3.07Å
86A87.3Confident74.4Confident22 Ų2269.5 Ų69.518%0.18241%0.407CS..Hα-helixtrans-62.3-42.5-178.400000112.2M1 L22 R82 W83 S89 S90M1-A86 HydrophobicContact CB-CB 4.14Å; M1-A86 HydrophobicContact CG-CB 4.37Å; M1-A86 HydrophobicContact SD-CB 3.31Å; M1-A86 WeakPolarHBondContact SD-CB 3.42Å; L22-A86 HydrophobicContact CD2-CB 3.84Å; R82-A86 WeakPolarHBondContact O-CB 3.49Å; R82-A86 PolarHBondContact O-N 3.39Å; W83-A86 PolarHBondContact O-N 3.42Å; A86-S89 PolarHBondContact O-N 3.31Å; A86-S90 WeakPolarHBondContact O-CB 3.31Å; A86-S90 PolarHBondContact O-N 3.09Å; A86-S90 PolarHBondContact O-OG 3.26Å
87L89.5Confident71.8Confident1 Ų175.4 Ų75.41%0.00543%0.434CS..Hα-helixtrans-63.2-42.8176.2-64.9163.8000111.4L22 L27 L46 V51 F61 L63 W83 I85 K91L22-L87 HydrophobicContact CD2-CD2 4.14Å; L22-L87 HydrophobicContact CD2-CG 4.49Å; L27-L87 HydrophobicContact CB-CD2 4.47Å; L27-L87 HydrophobicContact CD1-CD2 4.22Å; L27-L87 HydrophobicContact CD2-CD2 4Å; L27-L87 HydrophobicContact CG-CD2 4.47Å; L46-L87 HydrophobicContact CD1-CB 4.41Å; L46-L87 HydrophobicContact CD1-CD2 3.85Å; L46-L87 HydrophobicContact CD2-CD2 3.53Å; L46-L87 HydrophobicContact CG-CD2 4.34Å; V51-L87 HydrophobicContact CG1-CD1 4.33Å; V51-L87 HydrophobicContact CG2-CB 3.99Å; V51-L87 HydrophobicContact CG2-CD1 4.4Å; F61-L87 HydrophobicContact CD2-CD1 4.17Å; F61-L87 HydrophobicContact CE2-CD1 3.59Å; F61-L87 HydrophobicContact CZ-CD1 4.4Å; L63-L87 HydrophobicContact CD2-CD1 4.05Å; W83-L87 WeakPolarHBondContact O-CB 3.44Å; W83-L87 WeakPolarHBondContact O-CD1 2.87Å; W83-L87 WeakPolarHBondContact O-CG 3.38Å; W83-L87 PolarHBondContact O-N 3.09Å; I85-L87 PolarHBondContact O-N 3.18Å; L87-K91 PolarHBondContact O-N 3.35Å
88G81.5Confident69Low33 Ų3377 Ų7734%0.3445%0.445SS..Hα-helixtrans-65-45.2176.300000112.8V84 I85 S90 K91V84-G88 PolarHBondContact O-N 3.46Å; I85-G88 PolarHBondContact O-N 3.22Å; G88-S90 VanDerWaalsContact C-N 3.34Å; G88-S90 PolarHBondContact O-N 3.12Å; G88-K91 WeakPolarHBondContact O-CB 3.49Å; G88-K91 PolarHBondContact O-N 3.06Å; G88-K91 VanDerWaalsContact O-N 3.13Å
89S77.9Confident66.3Low78 Ų7879 Ų7955%0.54546%0.456SS..Hα-helixtrans-63.8-37.6178.4-62.90000112.5I85 A86 K91 V92I85-S89 WeakPolarHBondContact O-CB 3.31Å; I85-S89 PolarHBondContact O-N 3.18Å; I85-S89 PolarHBondContact O-OG 3.15Å; I85-S89 VanDerWaalsContact O-OG 3.07Å; A86-S89 PolarHBondContact O-N 3.31Å; S89-K91 VanDerWaalsContact C-N 3.26Å; S89-K91 PolarHBondContact O-N 3.49Å; S89-V92 PolarHBondContact O-N 3.07Å
90S71.9Confident63.4Low38 Ų3885.9 Ų85.927%0.26649%0.487SS..Hα-helixtrans-69.3-21.4175.6-69.90000113.5A86 G88A86-S90 WeakPolarHBondContact O-CB 3.31Å; A86-S90 PolarHBondContact O-N 3.09Å; A86-S90 PolarHBondContact O-OG 3.26Å; G88-S90 VanDerWaalsContact C-N 3.34Å; G88-S90 PolarHBondContact O-N 3.12Å
91K61.2Low60.3Low74 Ų7492.4 Ų92.432%0.32252%0.523SS..Hα-helixtrans-76.8-24.2176.9-160.4171.4179.5-179.70112.8C49 D50 L87 G88 S89C49-K91 VanDerWaalsContact O-CE 3.31Å; C49-K91 WeakPolarHBondContact O-CE 3.47Å; C49-K91 PolarHBondContact O-NZ 2.89Å; D50-K91 IonicContact OD1-NZ 3.07Å; D50-K91 PolarHBondContact OD1-NZ 2.69Å; L87-K91 PolarHBondContact O-N 3.35Å; G88-K91 WeakPolarHBondContact O-CB 3.49Å; G88-K91 PolarHBondContact O-N 3.06Å; G88-K91 VanDerWaalsContact O-N 3.13Å; S89-K91 VanDerWaalsContact C-N 3.26Å; S89-K91 PolarHBondContact O-N 3.49Å
92V52.9Low57.6Low129 Ų12994.8 Ų94.878%0.78254%0.543SS*.Hα-helixtrans-87.2-13.3-175.9-178.80000112.7S89S89-V92 PolarHBondContact O-N 3.07Å
93G45.8Very low54.6Low69 Ų6995 Ų9571%0.71156%0.556SS**SBendtrans-84.4-7.2-174.300000116.8
94T37.7Very low51.9Low82 Ų82101.6 Ų101.650%0.50359%0.59SS.*SBendtrans-112.2112.6-179.3460000110.7
95T28.9Very low49.4Very low130 Ų130110.3 Ų110.380%0.79862%0.621SS**  trans-48.1139.8176.734.50000113.1L97T95-L97 PolarHBondContact O-N 3.33Å
96P31.6Very low47Very low125 Ų125114 Ų11481%0.81264%0.637SS**  trans-80.5114.1-174.431.3-30.8000110.4
97L34.2Very low45.2Very low176 Ų176116 Ų11692%0.92165%0.648SS**  trans-85.3130.5162.3-76.9165.7000108.8T95T95-L97 PolarHBondContact O-N 3.33Å
98K28.4Very low43.8Very low197 Ų197118.5 Ų118.586%0.85767%0.665SS**  trans-66.4166.7-173.2-69.4173172.5177.50113.6
99S30Very low42.9Very low98 Ų98120.3 Ų120.369%0.68567%0.665SS**  trans85.8107149.849.50000119.9
100E30.5Very low42.6Very low174 Ų174118.5 Ų118.581%0.81365%0.651SS**  103.9104127.7-69.4165.4-168.100118.5
101D28Very low42.3Very low153 Ų153120.1 Ų120.182%0.81865%0.654SS**  trans64.985.6144.2-55.8-20.2000120.7
102V33Very low42.8Very low131 Ų131119.5 Ų119.579%0.79465%0.654SS**  trans-140.6108.9144-174.60000109.3I104V102-I104 PolarHBondContact O-N 3.35Å
103N27.6Very low43.7Very low166 Ų166113.5 Ų113.589%0.88862%0.617SS**  trans-73.1106.3173.5-138.5-5.3000108.4
104I35.8Very low44.9Very low138 Ų138110.9 Ų110.971%0.70859%0.587SS**  trans-83.7112.6179.1-61.8172.8000108.3V102 E106V102-I104 PolarHBondContact O-N 3.35Å; I104-E106 PolarHBondContact O-N 3.35Å
105Y38.1Very low46.6Very low210 Ų210110.6 Ų110.682%0.82458%0.582SS**  trans-72.8111.7175.7-127-94.7000109.9
106E36.3Very low48.8Very low171 Ų171105.8 Ų105.880%0.79955%0.551SS**PPolyproline II helixtrans-70126.1168.6-168175-171.700108.7I104 S108I104-E106 PolarHBondContact O-N 3.35Å; E106-S108 PolarHBondContact O-N 3.18Å
107P48.4Very low51Low64 Ų64105.7 Ų105.742%0.41653%0.534SS..PPolyproline II helixtrans-64.5125.9-177.623.4-30.5000109.8Q111 L112P107-Q111 VanDerWaalsContact CA-OE1 3.3Å; P107-Q111 HydrophobicContact CB-CB 4.48Å; P107-L112 HydrophobicContact CG-CD2 4.36Å
108S60.4Low52.9Low52 Ų52100.1 Ų100.136%0.36451%0.51SS..PPolyproline II helixtrans-57.1149.5177.563.90000110.9E106 T110 Q111 L112E106-S108 PolarHBondContact O-N 3.18Å; S108-T110 PolarHBondContact O-N 3.48Å; S108-Q111 WeakPolarHBondContact O-CA 3.32Å; S108-Q111 WeakPolarHBondContact O-CB 3.45Å; S108-Q111 PolarHBondContact O-N 3.34Å; S108-Q111 WeakPolarHBondContact OG-CG 3.43Å; S108-Q111 PolarHBondContact OG-N 3.22Å; S108-L112 PolarHBondContact O-N 3.32Å; S108-L112 VanDerWaalsContact O-N 3.11Å
109Q62.8Low55.2Low72 Ų7294.4 Ų94.434%0.33649%0.486SS..Hα-helixtrans-52.8-33177.7-174.6172.912.400112.6L112 I113 L173Q109-L112 WeakPolarHBondContact O-CB 3.45Å; Q109-L112 PolarHBondContact O-N 3.26Å; Q109-I113 HydrophobicContact CG-CD1 4.39Å; Q109-I113 WeakPolarHBondContact O-CG1 3.37Å; Q109-I113 PolarHBondContact O-N 2.99Å; Q109-L173 PolarHBondContact NE2-O 3.49Å
110T70.9Confident57.6Low40 Ų4090.5 Ų90.525%0.24546%0.458CS..Hα-helixtrans-70.4-37.4176.8-36.80000112.7S108 L112 I113 D114 Q177S108-T110 PolarHBondContact O-N 3.48Å; T110-L112 VanDerWaalsContact C-N 3.3Å; T110-L112 PolarHBondContact O-N 2.98Å; T110-I113 PolarHBondContact O-N 2.69Å; T110-D114 PolarHBondContact O-N 2.95Å; T110-Q177 PolarHBondContact OG1-NE2 3.13Å
111Q66.5Low59.9Low72 Ų7288.4 Ų88.434%0.33644%0.442SS..Hα-helixtrans-62.4-38.5170.9-74.4171.7-7.900111.4P107 S108 D114 N115 Q421P107-Q111 VanDerWaalsContact CA-OE1 3.3Å; P107-Q111 HydrophobicContact CB-CB 4.48Å; S108-Q111 WeakPolarHBondContact O-CA 3.32Å; S108-Q111 WeakPolarHBondContact O-CB 3.45Å; S108-Q111 PolarHBondContact O-N 3.34Å; S108-Q111 WeakPolarHBondContact OG-CG 3.43Å; S108-Q111 PolarHBondContact OG-N 3.22Å; Q111-D114 PolarHBondContact O-N 3.29Å; Q111-N115 WeakPolarHBondContact O-CB 3.48Å; Q111-N115 PolarHBondContact O-N 3.16Å; Q111-N115 PolarHBondContact O-ND2 3.25Å; Q111-Q421 HydrophobicContact CG-CG 4.48Å
112L70.4Confident62.2Low60 Ų6084.8 Ų84.831%0.31442%0.422SS..Hα-helixtrans-61.9-47.5173.8-67.2172.6000111.3P107 S108 Q109 T110 D114 N115 H116 L173P107-L112 HydrophobicContact CG-CD2 4.36Å; S108-L112 PolarHBondContact O-N 3.32Å; S108-L112 VanDerWaalsContact O-N 3.11Å; Q109-L112 WeakPolarHBondContact O-CB 3.45Å; Q109-L112 PolarHBondContact O-N 3.26Å; T110-L112 VanDerWaalsContact C-N 3.3Å; T110-L112 PolarHBondContact O-N 2.98Å; L112-D114 VanDerWaalsContact C-N 3.32Å; L112-D114 PolarHBondContact O-N 2.99Å; L112-N115 WeakPolarHBondContact O-CB 3.48Å; L112-N115 PolarHBondContact O-N 2.67Å; L112-H116 PolarHBondContact O-CD2 3.33Å; L112-H116 PolarHBondContact O-N 3.01Å; L112-L173 HydrophobicContact CB-CD1 3.96Å; L112-L173 HydrophobicContact CB-CD2 4.4Å; L112-L173 HydrophobicContact CD1-CD2 4.33Å
113I73.3Confident64.3Low4 Ų480.8 Ų80.82%0.02139%0.393CS..Hα-helixtrans-57.3-44.9176.6-71.9170000111.1Q109 T110 H116 R117 L170 L173 Q177Q109-I113 HydrophobicContact CG-CD1 4.39Å; Q109-I113 WeakPolarHBondContact O-CG1 3.37Å; Q109-I113 PolarHBondContact O-N 2.99Å; T110-I113 PolarHBondContact O-N 2.69Å; I113-H116 PolarHBondContact O-N 2.95Å; I113-R117 WeakPolarHBondContact O-CB 3.4Å; I113-R117 VanDerWaalsContact O-CG 3.29Å; I113-R117 WeakPolarHBondContact O-CG 3.5Å; I113-R117 PolarHBondContact O-N 3.46Å; I113-L170 HydrophobicContact CB-CD1 4.24Å; I113-L170 HydrophobicContact CG1-CD1 4.42Å; I113-L170 HydrophobicContact CG2-CD1 3.83Å; I113-L170 WeakPolarHBondContact O-CD1 3.46Å; I113-L173 HydrophobicContact CD1-CB 4.5Å; I113-L173 HydrophobicContact CG1-CB 3.82Å; I113-Q177 VanDerWaalsContact CD1-CD 3.49Å; I113-Q177 HydrophobicContact CD1-CG 4.38Å
114D70.6Confident67Low14 Ų1477.5 Ų77.58%0.07537%0.373CS..Hα-helixtrans-68.8-35.6179.5-76.4-18.4000112.8T110 Q111 L112 R117 S118 Q421T110-D114 PolarHBondContact O-N 2.95Å; Q111-D114 PolarHBondContact O-N 3.29Å; L112-D114 VanDerWaalsContact C-N 3.32Å; L112-D114 PolarHBondContact O-N 2.99Å; D114-R117 PolarHBondContact O-N 2.89Å; D114-R117 IonicContact OD1-NH1 3.17Å; D114-S118 WeakPolarHBondContact O-CB 3.29Å; D114-S118 PolarHBondContact O-N 3.48Å; D114-S118 PolarHBondContact O-OG 3.47Å; D114-Q421 PolarHBondContact OD2-OE1 2.97Å
115N71.8Confident69.1Low75 Ų7575.2 Ų75.240%0.40136%0.362SS..Hα-helixtrans-62.1-50172-71.7-20.4000110.9Q111 L112 R117 S118 E119Q111-N115 WeakPolarHBondContact O-CB 3.48Å; Q111-N115 PolarHBondContact O-N 3.16Å; Q111-N115 PolarHBondContact O-ND2 3.25Å; L112-N115 WeakPolarHBondContact O-CB 3.48Å; L112-N115 PolarHBondContact O-N 2.67Å; N115-R117 PolarHBondContact O-N 3.48Å; N115-S118 WeakPolarHBondContact O-CB 3.43Å; N115-S118 PolarHBondContact O-N 3.32Å; N115-S118 VanDerWaalsContact O-N 3.1Å; N115-E119 WeakPolarHBondContact O-CG 3.49Å; N115-E119 PolarHBondContact O-N 3.16Å
116H76Confident71.1Confident29 Ų2968.1 Ų68.113%0.13434%0.338CS..Hα-helixtrans-62.1-40.4177.4-82.4-80.5000112.3L112 I113 S118 E119 L120 T166 E169 L170 L173L112-H116 PolarHBondContact O-CD2 3.33Å; L112-H116 PolarHBondContact O-N 3.01Å; I113-H116 PolarHBondContact O-N 2.95Å; H116-S118 VanDerWaalsContact C-N 3.29Å; H116-S118 PolarHBondContact O-N 2.93Å; H116-E119 PolarHBondContact O-N 2.73Å; H116-L120 WeakPolarHBondContact O-CB 3.44Å; H116-L120 WeakPolarHBondContact O-CG 3.44Å; H116-L120 PolarHBondContact O-N 2.84Å; H116-T166 HydrophobicContact CB-CG2 4.29Å; H116-T166 WeakPolarHBondContact ND1-CG2 3.18Å; H116-E169 VanDerWaalsContact CE1-CB 3.48Å; H116-E169 WeakPolarHBondContact CE1-CB 3.43Å; H116-E169 IonicContact CE1-OE2 3.64Å; H116-E169 PolarHBondContact CE1-OE2 3.46Å; H116-E169 IonicContact ND1-OE2 3.81Å; H116-L170 HydrophobicContact CB-CB 4.09Å; H116-L170 HydrophobicContact CB-CD1 3.82Å; H116-L170 HydrophobicContact CB-CG 4.48Å; H116-L173 WeakPolarHBondContact CD2-CD1 3.38Å
117R77.2Confident73.5Confident124 Ų12461.5 Ų61.547%0.46831%0.307SS..Hα-helixtrans-61.3-37.6173.4-76.3172.5173.3172.8-2.1112.4I113 D114 N115 R121 L170I113-R117 WeakPolarHBondContact O-CB 3.4Å; I113-R117 VanDerWaalsContact O-CG 3.29Å; I113-R117 WeakPolarHBondContact O-CG 3.5Å; I113-R117 PolarHBondContact O-N 3.46Å; D114-R117 PolarHBondContact O-N 2.89Å; D114-R117 IonicContact OD1-NH1 3.17Å; N115-R117 PolarHBondContact O-N 3.48Å; R117-R121 PolarHBondContact O-N 2.88Å; R117-R121 VanDerWaalsContact O-N 3.16Å; R117-L170 HydrophobicContact CG-CD1 3.96Å; R117-L170 HydrophobicContact CG-CD2 3.75Å
118S75.2Confident75.3Confident59 Ų5961 Ų6141%0.41330%0.303SS..Hα-helixtrans-72.3-40.1178.1-60.20000111.7D114 N115 H116 R121 L122D114-S118 WeakPolarHBondContact O-CB 3.29Å; D114-S118 PolarHBondContact O-N 3.48Å; D114-S118 PolarHBondContact O-OG 3.47Å; N115-S118 WeakPolarHBondContact O-CB 3.43Å; N115-S118 PolarHBondContact O-N 3.32Å; N115-S118 VanDerWaalsContact O-N 3.1Å; H116-S118 VanDerWaalsContact C-N 3.29Å; H116-S118 PolarHBondContact O-N 2.93Å; S118-R121 PolarHBondContact O-N 3.37Å; S118-L122 PolarHBondContact O-N 2.95Å
119E75.6Confident76.5Confident77 Ų7763 Ų6336%0.3631%0.307SS..Hα-helixtrans-60.9-45.7171.8-73.8-172.8-175.200111.8N115 H116 R121 L122 Y123 T166N115-E119 WeakPolarHBondContact O-CG 3.49Å; N115-E119 PolarHBondContact O-N 3.16Å; H116-E119 PolarHBondContact O-N 2.73Å; E119-R121 VanDerWaalsContact C-N 3.33Å; E119-R121 PolarHBondContact O-N 3.31Å; E119-L122 WeakPolarHBondContact O-CB 3.4Å; E119-L122 PolarHBondContact O-N 3.5Å; E119-L122 VanDerWaalsContact O-N 3.08Å; E119-Y123 HydrophobicContact CB-CD2 4.47Å; E119-Y123 HydrophobicContact CB-CE2 3.87Å; E119-Y123 WeakPolarHBondContact O-CD2 3.34Å; E119-Y123 PolarHBondContact O-N 3.24Å; E119-T166 HydrophobicContact CB-CG2 3.76Å
120L80.1Confident77.5Confident16 Ų1659.9 Ų59.98%0.08429%0.292CS..Hα-helixtrans-58.9-42.2175.9-75.3174.3000112.8H116 L122 Y123 H124 F163 T166 L167 L170H116-L120 WeakPolarHBondContact O-CB 3.44Å; H116-L120 WeakPolarHBondContact O-CG 3.44Å; H116-L120 PolarHBondContact O-N 2.84Å; L120-L122 VanDerWaalsContact C-N 3.32Å; L120-L122 PolarHBondContact O-N 3.43Å; L120-Y123 PolarHBondContact O-N 2.82Å; L120-H124 WeakPolarHBondContact O-CB 3.27Å; L120-H124 PolarHBondContact O-N 2.92Å; L120-F163 HydrophobicContact CB-CE2 4.18Å; L120-F163 HydrophobicContact CD2-CD1 4.37Å; L120-F163 HydrophobicContact CD2-CD2 3.74Å; L120-F163 HydrophobicContact CD2-CE1 4.39Å; L120-F163 HydrophobicContact CD2-CE2 3.76Å; L120-F163 HydrophobicContact CD2-CG 4.05Å; L120-F163 HydrophobicContact CD2-CZ 4.09Å; L120-F163 WeakPolarHBondContact CD2-O 3.36Å; L120-F163 WeakPolarHBondContact O-CE2 3.27Å; L120-T166 HydrophobicContact CD2-CG2 4.01Å; L120-T166 HydrophobicContact CG-CG2 3.86Å; L120-L167 HydrophobicContact CD1-CB 4.35Å; L120-L167 HydrophobicContact CD1-CD1 3.83Å; L120-L167 HydrophobicContact CD2-CB 3.86Å; L120-L170 HydrophobicContact CD1-CB 4.31Å; L120-L170 HydrophobicContact CD1-CD2 3.48Å; L120-L170 VanDerWaalsContact CD1-CD2 3.48Å
121R80.5Confident78.4Confident130 Ų13060.8 Ų60.849%0.49130%0.297SS..Hα-helixtrans-63.2-38.9175-80-174.2-93.8-1294.4111.9R117 S118 E119 N125R117-R121 PolarHBondContact O-N 2.88Å; R117-R121 VanDerWaalsContact O-N 3.16Å; S118-R121 PolarHBondContact O-N 3.37Å; E119-R121 VanDerWaalsContact C-N 3.33Å; E119-R121 PolarHBondContact O-N 3.31Å; R121-N125 VanDerWaalsContact O-CG 3.29Å; R121-N125 PolarHBondContact O-N 3.26Å; R121-N125 PolarHBondContact O-ND2 3.13Å
122L75.4Confident79.5Confident77 Ų7763.7 Ų63.740%0.40331%0.309SS..Hα-helixtrans-63.3-47.7175.4-177.668.4000111.4Y11 S118 E119 L120 N125 L126Y11-L122 HydrophobicContact CE1-CD2 4.32Å; S118-L122 PolarHBondContact O-N 2.95Å; E119-L122 WeakPolarHBondContact O-CB 3.4Å; E119-L122 PolarHBondContact O-N 3.5Å; E119-L122 VanDerWaalsContact O-N 3.08Å; L120-L122 VanDerWaalsContact C-N 3.32Å; L120-L122 PolarHBondContact O-N 3.43Å; L122-N125 PolarHBondContact O-N 2.89Å; L122-L126 WeakPolarHBondContact O-CB 3.38Å; L122-L126 PolarHBondContact O-N 3.22Å
123Y78.1Confident80.1Confident46 Ų4664 Ų6418%0.1831%0.308CS..Hα-helixtrans-64.6-39.4178.2-62.2-46.4000112.2E119 L120 N125 L126 M127 T162 T166E119-Y123 HydrophobicContact CB-CD2 4.47Å; E119-Y123 HydrophobicContact CB-CE2 3.87Å; E119-Y123 WeakPolarHBondContact O-CD2 3.34Å; E119-Y123 PolarHBondContact O-N 3.24Å; L120-Y123 PolarHBondContact O-N 2.82Å; Y123-N125 PolarHBondContact O-N 3.1Å; Y123-L126 PolarHBondContact O-N 3.12Å; Y123-M127 VanDerWaalsContact O-CG 3.32Å; Y123-M127 WeakPolarHBondContact O-CG 3.22Å; Y123-M127 PolarHBondContact O-N 3.02Å; Y123-T162 HydrophobicContact CD1-CG2 4.35Å; Y123-T162 HydrophobicContact CD2-CG2 4.46Å; Y123-T162 HydrophobicContact CE1-CG2 3.68Å; Y123-T162 HydrophobicContact CE2-CG2 3.83Å; Y123-T162 WeakPolarHBondContact OH-CG2 3.35Å; Y123-T166 HydrophobicContact CE2-CG2 4.15Å; Y123-T166 VanDerWaalsContact CE2-OG1 3.26Å; Y123-T166 WeakPolarHBondContact CE2-OG1 3.39Å
124H82.8Confident80.8Confident98 Ų9864.9 Ų64.945%0.45431%0.313SS..Hα-helixtrans-57.1-48.8172173.4-92.7000111.6L120 L126 M127 V128 F163L120-H124 WeakPolarHBondContact O-CB 3.27Å; L120-H124 PolarHBondContact O-N 2.92Å; H124-L126 VanDerWaalsContact C-N 3.32Å; H124-L126 PolarHBondContact O-N 3.06Å; H124-M127 PolarHBondContact O-N 3.48Å; H124-V128 WeakPolarHBondContact O-CG2 3.41Å; H124-V128 PolarHBondContact O-N 3.37Å; H124-F163 HydrophobicContact CB-CE2 4.19Å
125N79.6Confident81.5Confident90 Ų9069.9 Ų69.948%0.48134%0.336SS..Hα-helixtrans-63.3-38.7178.4-71.5-24.7000112.3R121 L122 Y123 V128 Q129R121-N125 VanDerWaalsContact O-CG 3.29Å; R121-N125 PolarHBondContact O-N 3.26Å; R121-N125 PolarHBondContact O-ND2 3.13Å; L122-N125 PolarHBondContact O-N 2.89Å; Y123-N125 PolarHBondContact O-N 3.1Å; N125-V128 PolarHBondContact O-N 3.03Å; N125-Q129 WeakPolarHBondContact O-CG 3.38Å; N125-Q129 PolarHBondContact O-N 3.41Å
126L81.4Confident82.1Confident61 Ų6169.1 Ų69.132%0.31934%0.336SS..Hα-helixtrans-62.3-45.1174.9179.961.8000111.7L122 Y123 H124 V128 Q129 Q130 S159L122-L126 WeakPolarHBondContact O-CB 3.38Å; L122-L126 PolarHBondContact O-N 3.22Å; Y123-L126 PolarHBondContact O-N 3.12Å; H124-L126 VanDerWaalsContact C-N 3.32Å; H124-L126 PolarHBondContact O-N 3.06Å; L126-V128 PolarHBondContact O-N 3.39Å; L126-Q129 WeakPolarHBondContact O-CB 3.41Å; L126-Q129 PolarHBondContact O-N 2.89Å; L126-Q130 HydrophobicContact CD1-CG 4.48Å; L126-Q130 WeakPolarHBondContact O-CG 3.21Å; L126-Q130 PolarHBondContact O-N 3.19Å; L126-S159 WeakPolarHBondContact CD2-OG 3.29Å
127M85.8Confident82.3Confident31 Ų3171.7 Ų71.715%0.15335%0.347CS..Hα-helixtrans-61.7-44.1176.1-70.5-173.4-6600111.5Y123 H124 Q129 Q130 V131 L156 C160 F163Y123-M127 VanDerWaalsContact O-CG 3.32Å; Y123-M127 WeakPolarHBondContact O-CG 3.22Å; Y123-M127 PolarHBondContact O-N 3.02Å; H124-M127 PolarHBondContact O-N 3.48Å; M127-Q129 VanDerWaalsContact C-N 3.29Å; M127-Q129 PolarHBondContact O-N 2.95Å; M127-Q130 PolarHBondContact O-N 3.37Å; M127-V131 VanDerWaalsContact O-CG2 3.31Å; M127-V131 WeakPolarHBondContact O-CG2 3.34Å; M127-V131 PolarHBondContact O-N 3.07Å; M127-L156 HydrophobicContact CB-CD1 3.9Å; M127-L156 HydrophobicContact CG-CD1 3.95Å; M127-C160 HydrophobicContact SD-CB 4.15Å; M127-C160 PolarHBondContact SD-SG 3.46Å; M127-F163 HydrophobicContact CE-CB 4.01Å; M127-F163 HydrophobicContact CE-CD1 4.32Å; M127-F163 HydrophobicContact CE-CD2 3.61Å; M127-F163 HydrophobicContact CE-CE2 4.16Å; M127-F163 HydrophobicContact CE-CG 3.72Å; M127-F163 HydrophobicContact SD-CB 4.44Å
128V86.9Confident82.5Confident54 Ų5470.6 Ų70.633%0.32735%0.35SS..Hα-helixtrans-60.4-39.6176.1171.70000111.3H124 N125 L126 K132H124-V128 WeakPolarHBondContact O-CG2 3.41Å; H124-V128 PolarHBondContact O-N 3.37Å; N125-V128 PolarHBondContact O-N 3.03Å; L126-V128 PolarHBondContact O-N 3.39Å; V128-K132 HydrophobicContact CG1-CD 4.32Å; V128-K132 WeakPolarHBondContact O-CG 3.25Å; V128-K132 PolarHBondContact O-N 2.83Å
129Q84.8Confident82.6Confident95 Ų9574.7 Ų74.744%0.44436%0.36SS..Hα-helixtrans-65.4-45.8175.5-74.6178.5-900112.1N125 L126 M127 V131 K132 E133N125-Q129 WeakPolarHBondContact O-CG 3.38Å; N125-Q129 PolarHBondContact O-N 3.41Å; L126-Q129 WeakPolarHBondContact O-CB 3.41Å; L126-Q129 PolarHBondContact O-N 2.89Å; M127-Q129 VanDerWaalsContact C-N 3.29Å; M127-Q129 PolarHBondContact O-N 2.95Å; Q129-V131 PolarHBondContact O-N 2.89Å; Q129-K132 PolarHBondContact O-N 3.49Å; Q129-E133 PolarHBondContact O-N 2.79Å
130Q84.2Confident81.9Confident6 Ų680.6 Ų80.63%0.02839%0.388CS..Hα-helixtrans-62.7-42178.3-72.6162.3-20.500111.7L126 M127 K132 E133 I134 M155 L156 S159L126-Q130 HydrophobicContact CD1-CG 4.48Å; L126-Q130 WeakPolarHBondContact O-CG 3.21Å; L126-Q130 PolarHBondContact O-N 3.19Å; M127-Q130 PolarHBondContact O-N 3.37Å; Q130-K132 PolarHBondContact O-N 2.97Å; Q130-E133 PolarHBondContact O-N 3.37Å; Q130-I134 VanDerWaalsContact O-CG1 3.31Å; Q130-I134 WeakPolarHBondContact O-CG1 3.3Å; Q130-I134 PolarHBondContact O-N 2.74Å; Q130-M155 PolarHBondContact NE2-O 2.91Å; Q130-L156 HydrophobicContact CB-CB 4.31Å; Q130-L156 HydrophobicContact CB-CD1 4.07Å; Q130-L156 VanDerWaalsContact OE1-CA 3.31Å; Q130-S159 PolarHBondContact NE2-OG 3.19Å; Q130-S159 PolarHBondContact OE1-OG 2.84Å; Q130-S159 VanDerWaalsContact OE1-OG 3.05Å
131V89.5Confident81.3Confident58 Ų5884.1 Ų84.135%0.35243%0.429SS..Hα-helixtrans-61.9-43.6174.6170.80000111.2M127 Q129 E133 I134 Q135 L156M127-V131 VanDerWaalsContact O-CG2 3.31Å; M127-V131 WeakPolarHBondContact O-CG2 3.34Å; M127-V131 PolarHBondContact O-N 3.07Å; Q129-V131 PolarHBondContact O-N 2.89Å; V131-E133 VanDerWaalsContact C-N 3.32Å; V131-E133 PolarHBondContact O-N 3Å; V131-I134 PolarHBondContact O-N 2.75Å; V131-Q135 HydrophobicContact CG1-CG 4.43Å; V131-Q135 WeakPolarHBondContact O-CB 3.33Å; V131-Q135 VanDerWaalsContact O-CG 3.3Å; V131-Q135 WeakPolarHBondContact O-CG 3.31Å; V131-Q135 PolarHBondContact O-N 3.15Å; V131-L156 HydrophobicContact CG2-CD1 4.09Å; V131-L156 HydrophobicContact CG2-CD2 3.89Å
132K89.3Confident80.8Confident133 Ų13382.4 Ų82.458%0.57843%0.433SS*.Hα-helixtrans-63.5-37.1175.7-75.7177.4-179.8-1790112.3V128 Q129 Q130 Q135 S136V128-K132 HydrophobicContact CG1-CD 4.32Å; V128-K132 WeakPolarHBondContact O-CG 3.25Å; V128-K132 PolarHBondContact O-N 2.83Å; Q129-K132 PolarHBondContact O-N 3.49Å; Q130-K132 PolarHBondContact O-N 2.97Å; K132-Q135 PolarHBondContact O-N 2.67Å; K132-S136 WeakPolarHBondContact O-CB 3.46Å; K132-S136 PolarHBondContact O-N 2.81Å
133E85Confident80.7Confident66 Ų6685.5 Ų85.531%0.30845%0.454SS..Hα-helixtrans-66.1-45.2176.3-162.7176.5162.600110.8Q129 Q130 V131 Q135 S136 K137 R148 L152Q129-E133 PolarHBondContact O-N 2.79Å; Q130-E133 PolarHBondContact O-N 3.37Å; V131-E133 VanDerWaalsContact C-N 3.32Å; V131-E133 PolarHBondContact O-N 3Å; E133-Q135 PolarHBondContact O-N 3.04Å; E133-S136 WeakPolarHBondContact O-CB 3.45Å; E133-S136 PolarHBondContact O-N 3.35Å; E133-S136 VanDerWaalsContact O-N 3.16Å; E133-S136 PolarHBondContact O-OG 3.28Å; E133-K137 WeakPolarHBondContact O-CG 3.5Å; E133-K137 PolarHBondContact O-N 3.46Å; E133-K137 VanDerWaalsContact O-N 3.13Å; E133-R148 IonicContact OE1-CZ 3.84Å; E133-R148 IonicContact OE1-NE 3.67Å; E133-R148 IonicContact OE1-NH2 3.77Å; E133-R148 PolarHBondContact OE1-NH2 2.88Å; E133-L152 HydrophobicContact CB-CD1 4.18Å; E133-L152 HydrophobicContact CB-CD2 4.34Å; E133-L152 HydrophobicContact CG-CD1 3.69Å; E133-L152 HydrophobicContact CG-CD2 4.04Å; E133-L152 WeakPolarHBondContact OE1-CD2 3.27Å; E133-L152 WeakPolarHBondContact OE2-CD2 3.32Å
134I87.1Confident80.5Confident23 Ų2386 Ų8612%0.11846%0.463CS..Hα-helixtrans-59.3-47.7174.5-67166.4000110.7Q130 V131 S136 K137 L138 L152 L156Q130-I134 VanDerWaalsContact O-CG1 3.31Å; Q130-I134 WeakPolarHBondContact O-CG1 3.3Å; Q130-I134 PolarHBondContact O-N 2.74Å; V131-I134 PolarHBondContact O-N 2.75Å; I134-S136 VanDerWaalsContact C-N 3.27Å; I134-S136 PolarHBondContact O-N 3.26Å; I134-K137 PolarHBondContact O-N 3.19Å; I134-K137 VanDerWaalsContact O-N 3.13Å; I134-L138 HydrophobicContact CG2-CD1 3.71Å; I134-L138 WeakPolarHBondContact O-CG 3.47Å; I134-L138 PolarHBondContact O-N 2.82Å; I134-L138 VanDerWaalsContact O-N 3.15Å; I134-L152 HydrophobicContact CD1-CB 4.13Å; I134-L152 HydrophobicContact CG1-CB 3.63Å; I134-L152 HydrophobicContact CG1-CD1 4.23Å; I134-L156 HydrophobicContact CD1-CD2 4.03Å
135Q86Confident80.3Confident119 Ų11985.3 Ų85.356%0.55646%0.463SS*.Hα-helixtrans-59.2-37.6176-74.5175.1-16.100112.4V131 K132 E133 K137 L138 K139V131-Q135 HydrophobicContact CG1-CG 4.43Å; V131-Q135 WeakPolarHBondContact O-CB 3.33Å; V131-Q135 VanDerWaalsContact O-CG 3.3Å; V131-Q135 WeakPolarHBondContact O-CG 3.31Å; V131-Q135 PolarHBondContact O-N 3.15Å; K132-Q135 PolarHBondContact O-N 2.67Å; E133-Q135 PolarHBondContact O-N 3.04Å; Q135-K137 VanDerWaalsContact C-N 3.31Å; Q135-K137 PolarHBondContact O-N 3.19Å; Q135-L138 PolarHBondContact O-N 2.89Å; Q135-K139 PolarHBondContact O-N 3.36Å
136S84.6Confident80.6Confident59 Ų5986.5 Ų86.541%0.41347%0.467SS..Hα-helixtrans-66.2-33.4177.980.70000112.8K132 E133 I134 L138K132-S136 WeakPolarHBondContact O-CB 3.46Å; K132-S136 PolarHBondContact O-N 2.81Å; E133-S136 WeakPolarHBondContact O-CB 3.45Å; E133-S136 PolarHBondContact O-N 3.35Å; E133-S136 VanDerWaalsContact O-N 3.16Å; E133-S136 PolarHBondContact O-OG 3.28Å; I134-S136 VanDerWaalsContact C-N 3.27Å; I134-S136 PolarHBondContact O-N 3.26Å; S136-L138 VanDerWaalsContact C-N 3.35Å
137K79.7Confident80.6Confident83 Ų8390 Ų9036%0.36149%0.486SS..Hα-helixtrans-78.8-19.1178.2-64.8-66.3-179.5176.90113.2E133 I134 Q135 I149 L152E133-K137 WeakPolarHBondContact O-CG 3.5Å; E133-K137 PolarHBondContact O-N 3.46Å; E133-K137 VanDerWaalsContact O-N 3.13Å; I134-K137 PolarHBondContact O-N 3.19Å; I134-K137 VanDerWaalsContact O-N 3.13Å; Q135-K137 VanDerWaalsContact C-N 3.31Å; Q135-K137 PolarHBondContact O-N 3.19Å; K137-I149 HydrophobicContact CB-CD1 4.45Å; K137-I149 HydrophobicContact CB-CG1 4.15Å; K137-L152 HydrophobicContact CG-CD1 4.32Å
138L81.2Confident80.3Confident101 Ų10191.9 Ų91.953%0.52949%0.491SS..THydrogen-bonded Turntrans-97.46.7178.8-71.2165.7000113.7I134 Q135 S136 E140 I149I134-L138 HydrophobicContact CG2-CD1 3.71Å; I134-L138 WeakPolarHBondContact O-CG 3.47Å; I134-L138 PolarHBondContact O-N 2.82Å; I134-L138 VanDerWaalsContact O-N 3.15Å; Q135-L138 PolarHBondContact O-N 2.89Å; S136-L138 VanDerWaalsContact C-N 3.35Å; L138-E140 PolarHBondContact O-N 3.2Å; L138-I149 HydrophobicContact CD2-CD1 3.98Å; L138-I149 HydrophobicContact CG-CD1 4.33Å
139K76.7Confident80.2Confident145 Ų14590 Ų9063%0.6348%0.479SS*.  trans-61.7133.5178.9-79.5-172.8174.9-174.40111.7Q135 G141 T142Q135-K139 PolarHBondContact O-N 3.36Å; K139-G141 PolarHBondContact O-N 3.17Å; K139-T142 PolarHBondContact O-N 3.29Å; K139-T142 PolarHBondContact O-OG1 2.93Å; K139-T142 VanDerWaalsContact O-OG1 3.11Å
140E61.5Low80.2Confident201 Ų20190.3 Ų90.394%0.93948%0.484SS*.THydrogen-bonded Turntrans-48.4134.8177.4-74.9-178.8160.300111.9L138L138-E140 PolarHBondContact O-N 3.2Å
141G66.8Low80.2Confident91 Ų9194.9 Ų94.994%0.93851%0.506SS*.THydrogen-bonded Turntrans94.6-3.8178.100000115.5K139K139-G141 PolarHBondContact O-N 3.17Å
142T69.6Low79.9Confident94 Ų9492.1 Ų92.158%0.57749%0.489SS*.SBendtrans-113.2134.9176-13.90000110.4K139 P144K139-T142 PolarHBondContact O-N 3.29Å; K139-T142 PolarHBondContact O-OG1 2.93Å; K139-T142 VanDerWaalsContact O-OG1 3.11Å; T142-P144 VanDerWaalsContact O-CD 3.32Å; T142-P144 WeakPolarHBondContact O-CD 3.36Å
143V73.4Confident79.8Confident141 Ų14189 Ų8986%0.85548%0.481SS*.  trans-65.1118.5170.6179.60000107.8D145V143-D145 PolarHBondContact O-N 3.37Å
144P73.8Confident79.8Confident56 Ų5687.9 Ų87.936%0.36449%0.487SS..  trans-69.7129.7-178.22.95.7000110.6T142 M146 I149T142-P144 VanDerWaalsContact O-CD 3.32Å; T142-P144 WeakPolarHBondContact O-CD 3.36Å; P144-M146 PolarHBondContact O-N 2.85Å; P144-M146 VanDerWaalsContact O-N 3.12Å; P144-I149 HydrophobicContact CB-CD1 3.58Å
145D80.6Confident79.5Confident84 Ų8490.4 Ų90.445%0.44950%0.499SS..  trans-7794.2169.6-179.6-4.6000109.2V143 N147 R148 I149V143-D145 PolarHBondContact O-N 3.37Å; D145-N147 VanDerWaalsContact C-N 3.28Å; D145-N147 PolarHBondContact O-N 3.46Å; D145-N147 PolarHBondContact OD1-N 3.28Å; D145-R148 HydrophobicContact CB-CB 4.05Å; D145-R148 PolarHBondContact O-N 3.39Å; D145-R148 PolarHBondContact OD1-N 3.36Å; D145-R148 WeakPolarHBondContact OD2-CB 3.49Å; D145-I149 WeakPolarHBondContact O-CG1 3.42Å; D145-I149 PolarHBondContact O-N 2.91Å
146M84.5Confident79.5Confident115 Ų11586.3 Ų86.357%0.56748%0.481SS*.Hα-helixtrans-59.8-35.6-176.4-70.5-60.1-64.500113P144 R148 I149 D150P144-M146 PolarHBondContact O-N 2.85Å; P144-M146 VanDerWaalsContact O-N 3.12Å; M146-R148 VanDerWaalsContact C-N 3.33Å; M146-R148 PolarHBondContact O-N 2.96Å; M146-I149 PolarHBondContact O-N 3.46Å; M146-I149 HydrophobicContact SD-CD1 4.38Å; M146-D150 WeakPolarHBondContact O-CB 3.48Å; M146-D150 PolarHBondContact O-N 2.91Å
147N82.1Confident79.5Confident134 Ų13488.7 Ų88.772%0.71749%0.489SS*.Hα-helixtrans-64.9-42178.2-69.4-27.1000110.8D145 D150 E151D145-N147 VanDerWaalsContact C-N 3.28Å; D145-N147 PolarHBondContact O-N 3.46Å; D145-N147 PolarHBondContact OD1-N 3.28Å; N147-D150 PolarHBondContact O-N 3.38Å; N147-E151 PolarHBondContact O-N 2.9Å
148R79.6Confident79.5Confident71 Ų7187.3 Ų87.327%0.26849%0.493SS..Hα-helixtrans-69.2-36.7176.8-174.859.2-180170.76.5111.8E133 D145 M146 E151 L152E133-R148 IonicContact OE1-CZ 3.84Å; E133-R148 IonicContact OE1-NE 3.67Å; E133-R148 IonicContact OE1-NH2 3.77Å; E133-R148 PolarHBondContact OE1-NH2 2.88Å; D145-R148 HydrophobicContact CB-CB 4.05Å; D145-R148 PolarHBondContact O-N 3.39Å; D145-R148 PolarHBondContact OD1-N 3.36Å; D145-R148 WeakPolarHBondContact OD2-CB 3.49Å; M146-R148 VanDerWaalsContact C-N 3.33Å; M146-R148 PolarHBondContact O-N 2.96Å; R148-E151 IonicContact CZ-OE2 2.79Å; R148-E151 IonicContact NH1-OE1 2.74Å; R148-E151 PolarHBondContact NH1-OE1 3.44Å; R148-E151 IonicContact NH1-OE2 3.72Å; R148-E151 PolarHBondContact NH1-OE2 3.49Å; R148-E151 PolarHBondContact O-N 3.39Å; R148-L152 HydrophobicContact CG-CD1 4.14Å; R148-L152 WeakPolarHBondContact O-CB 3.37Å; R148-L152 WeakPolarHBondContact O-CG 3.24Å; R148-L152 PolarHBondContact O-N 3.01Å
149I85.4Confident79.4Confident15 Ų1583 Ų838%0.07747%0.471CS..Hα-helixtrans-65.1-42.5175.1-68.4167.9000110.8K137 L138 P144 D145 M146 L152 T153K137-I149 HydrophobicContact CB-CD1 4.45Å; K137-I149 HydrophobicContact CB-CG1 4.15Å; L138-I149 HydrophobicContact CD2-CD1 3.98Å; L138-I149 HydrophobicContact CG-CD1 4.33Å; P144-I149 HydrophobicContact CB-CD1 3.58Å; D145-I149 WeakPolarHBondContact O-CG1 3.42Å; D145-I149 PolarHBondContact O-N 2.91Å; M146-I149 PolarHBondContact O-N 3.46Å; M146-I149 HydrophobicContact SD-CD1 4.38Å; I149-L152 PolarHBondContact O-N 2.82Å; I149-T153 VanDerWaalsContact O-CB 3.31Å; I149-T153 WeakPolarHBondContact O-CB 3.4Å; I149-T153 PolarHBondContact O-N 3.32Å; I149-T153 PolarHBondContact O-OG1 3.18Å
150D83.5Confident79.7Confident102 Ų10278.1 Ų78.155%0.54546%0.455SS..Hα-helixtrans-64.4-41.1177-79.2-13.8000111.8M146 N147 T153 G154M146-D150 WeakPolarHBondContact O-CB 3.48Å; M146-D150 PolarHBondContact O-N 2.91Å; N147-D150 PolarHBondContact O-N 3.38Å; D150-T153 PolarHBondContact O-N 3.44Å; D150-G154 PolarHBondContact O-N 2.87Å
151E84Confident80.5Confident102 Ų10271.2 Ų71.248%0.47743%0.429SS..Hα-helixtrans-60.3-47.7173.4-170-167.7165.800111.4N147 R148 G154 M155N147-E151 PolarHBondContact O-N 2.9Å; R148-E151 IonicContact CZ-OE2 2.79Å; R148-E151 IonicContact NH1-OE1 2.74Å; R148-E151 PolarHBondContact NH1-OE1 3.44Å; R148-E151 IonicContact NH1-OE2 3.72Å; R148-E151 PolarHBondContact NH1-OE2 3.49Å; R148-E151 PolarHBondContact O-N 3.39Å; E151-G154 PolarHBondContact O-N 3.26Å; E151-M155 WeakPolarHBondContact O-CG 3.45Å; E151-M155 PolarHBondContact O-N 3.32Å
152L84.1Confident81Confident0 Ų069.4 Ų69.40%040%0.4CS..Hα-helixtrans-65.5-39.7179.1-71.1171.7000112.3E133 I134 K137 R148 I149 M155 L156E133-L152 HydrophobicContact CB-CD1 4.18Å; E133-L152 HydrophobicContact CB-CD2 4.34Å; E133-L152 HydrophobicContact CG-CD1 3.69Å; E133-L152 HydrophobicContact CG-CD2 4.04Å; E133-L152 WeakPolarHBondContact OE1-CD2 3.27Å; E133-L152 WeakPolarHBondContact OE2-CD2 3.32Å; I134-L152 HydrophobicContact CD1-CB 4.13Å; I134-L152 HydrophobicContact CG1-CB 3.63Å; I134-L152 HydrophobicContact CG1-CD1 4.23Å; K137-L152 HydrophobicContact CG-CD1 4.32Å; R148-L152 HydrophobicContact CG-CD1 4.14Å; R148-L152 WeakPolarHBondContact O-CB 3.37Å; R148-L152 WeakPolarHBondContact O-CG 3.24Å; R148-L152 PolarHBondContact O-N 3.01Å; I149-L152 PolarHBondContact O-N 2.82Å; L152-M155 HydrophobicContact CD2-SD 4.47Å; L152-M155 PolarHBondContact O-N 3.05Å; L152-L156 WeakPolarHBondContact O-CB 3.5Å; L152-L156 PolarHBondContact O-N 3.37Å
153T86Confident81.7Confident66 Ų6667.2 Ų67.241%0.40538%0.383SS..Hα-helixtrans-63.4-42.1173.9-56.40000111I149 D150 L156 N157I149-T153 VanDerWaalsContact O-CB 3.31Å; I149-T153 WeakPolarHBondContact O-CB 3.4Å; I149-T153 PolarHBondContact O-N 3.32Å; I149-T153 PolarHBondContact O-OG1 3.18Å; D150-T153 PolarHBondContact O-N 3.44Å; T153-L156 PolarHBondContact O-N 3.45Å; T153-N157 PolarHBondContact O-N 3.21Å
154G85Confident82.2Confident43 Ų4365.2 Ų65.244%0.44337%0.367SS..Hα-helixtrans-62.7-42.917500000112.5D150 E151 N157 A158D150-G154 PolarHBondContact O-N 2.87Å; E151-G154 PolarHBondContact O-N 3.26Å; G154-N157 PolarHBondContact O-N 3.02Å; G154-A158 PolarHBondContact O-N 3.22Å
155M81.2Confident82.4Confident76 Ų7666 Ų6637%0.37437%0.367SS..Hα-helixtrans-63-40.7173.9-73.4177.253.100112.3Q130 E151 L152 A158 S159Q130-M155 PolarHBondContact NE2-O 2.91Å; E151-M155 WeakPolarHBondContact O-CG 3.45Å; E151-M155 PolarHBondContact O-N 3.32Å; L152-M155 HydrophobicContact CD2-SD 4.47Å; L152-M155 PolarHBondContact O-N 3.05Å; M155-A158 PolarHBondContact O-N 2.97Å; M155-S159 WeakPolarHBondContact O-CB 3.43Å; M155-S159 PolarHBondContact O-N 2.94Å; M155-S159 PolarHBondContact O-OG 2.95Å
156L87.1Confident82.3Confident34 Ų3462.2 Ų62.218%0.17835%0.347CS..Hα-helixtrans-62.1-47.8175.6-179.161.8000111M127 Q130 V131 I134 L152 T153 A158 S159 C160M127-L156 HydrophobicContact CB-CD1 3.9Å; M127-L156 HydrophobicContact CG-CD1 3.95Å; Q130-L156 HydrophobicContact CB-CB 4.31Å; Q130-L156 HydrophobicContact CB-CD1 4.07Å; Q130-L156 VanDerWaalsContact OE1-CA 3.31Å; V131-L156 HydrophobicContact CG2-CD1 4.09Å; V131-L156 HydrophobicContact CG2-CD2 3.89Å; I134-L156 HydrophobicContact CD1-CD2 4.03Å; L152-L156 WeakPolarHBondContact O-CB 3.5Å; L152-L156 PolarHBondContact O-N 3.37Å; T153-L156 PolarHBondContact O-N 3.45Å; L156-A158 VanDerWaalsContact C-N 3.32Å; L156-A158 PolarHBondContact O-N 3.11Å; L156-S159 WeakPolarHBondContact O-CA 3.2Å; L156-S159 WeakPolarHBondContact O-CB 3.36Å; L156-S159 PolarHBondContact O-N 2.96Å; L156-C160 PolarHBondContact O-N 2.8Å; L156-C160 PolarHBondContact O-SG 2.93Å
157N85.1Confident82.4Confident108 Ų10860 Ų6058%0.57834%0.337SS*.Hα-helixtrans-61.7-39179.2-163.419000112.5T153 G154 S159 C160 S161T153-N157 PolarHBondContact O-N 3.21Å; G154-N157 PolarHBondContact O-N 3.02Å; N157-S159 VanDerWaalsContact C-N 3.34Å; N157-C160 PolarHBondContact O-N 2.8Å; N157-S161 WeakPolarHBondContact O-CB 3.44Å; N157-S161 PolarHBondContact O-N 3.3Å; N157-S161 PolarHBondContact O-OG 2.89Å
158A79.6Confident82.2Confident55 Ų5557.8 Ų57.846%0.45533%0.325SS..Hα-helixtrans-64.8-37.9173.600000112.5G154 M155 L156 S161 T162G154-A158 PolarHBondContact O-N 3.22Å; M155-A158 PolarHBondContact O-N 2.97Å; L156-A158 VanDerWaalsContact C-N 3.32Å; L156-A158 PolarHBondContact O-N 3.11Å; A158-S161 PolarHBondContact O-N 3.24Å; A158-T162 PolarHBondContact O-N 3.49Å; A158-T162 PolarHBondContact O-OG1 3.25Å
159S77.6Confident82.1Confident9 Ų955.4 Ų55.46%0.06332%0.317CS..Hα-helixtrans-69.4-43.1177.6-53.50000111.3L126 Q130 M155 L156 N157 S161 T162 F163L126-S159 WeakPolarHBondContact CD2-OG 3.29Å; Q130-S159 PolarHBondContact NE2-OG 3.19Å; Q130-S159 PolarHBondContact OE1-OG 2.84Å; Q130-S159 VanDerWaalsContact OE1-OG 3.05Å; M155-S159 WeakPolarHBondContact O-CB 3.43Å; M155-S159 PolarHBondContact O-N 2.94Å; M155-S159 PolarHBondContact O-OG 2.95Å; L156-S159 WeakPolarHBondContact O-CA 3.2Å; L156-S159 WeakPolarHBondContact O-CB 3.36Å; L156-S159 PolarHBondContact O-N 2.96Å; N157-S159 VanDerWaalsContact C-N 3.34Å; S159-S161 PolarHBondContact O-N 3.06Å; S159-T162 PolarHBondContact O-N 3.05Å; S159-F163 WeakPolarHBondContact O-CB 3.44Å; S159-F163 PolarHBondContact O-N 2.95Å
160C83.4Confident82.1Confident44 Ų4455.8 Ų55.830%0.29732%0.319SS..Hα-helixtrans-58.6-45.5171.8-64.90000111.8M127 L156 N157 T162 F163 L164M127-C160 HydrophobicContact SD-CB 4.15Å; M127-C160 PolarHBondContact SD-SG 3.46Å; L156-C160 PolarHBondContact O-N 2.8Å; L156-C160 PolarHBondContact O-SG 2.93Å; N157-C160 PolarHBondContact O-N 2.8Å; C160-T162 VanDerWaalsContact C-N 3.34Å; C160-T162 PolarHBondContact O-N 2.8Å; C160-F163 WeakPolarHBondContact O-CB 3.46Å; C160-F163 PolarHBondContact O-N 3.35Å; C160-L164 WeakPolarHBondContact O-CG 3.49Å; C160-L164 PolarHBondContact O-N 3Å
161S77.9Confident81.9Confident56 Ų5655.6 Ų55.639%0.39232%0.316SS..Hα-helixtrans-61.6-42.6179-60.50000111.8N157 A158 S159 L164 I165N157-S161 WeakPolarHBondContact O-CB 3.44Å; N157-S161 PolarHBondContact O-N 3.3Å; N157-S161 PolarHBondContact O-OG 2.89Å; A158-S161 PolarHBondContact O-N 3.24Å; S159-S161 PolarHBondContact O-N 3.06Å; S161-L164 PolarHBondContact O-N 3.22Å; S161-I165 VanDerWaalsContact O-CG1 3.31Å; S161-I165 WeakPolarHBondContact O-CG1 3.34Å; S161-I165 PolarHBondContact O-N 2.75Å; S161-I165 VanDerWaalsContact O-N 3.13Å
162T78.2Confident81.7Confident53 Ų5355.9 Ų55.933%0.32532%0.32SS..Hα-helixtrans-69.4-40.8178.7-48.10000111.2Y123 A158 S159 C160 L164 I165 T166Y123-T162 HydrophobicContact CD1-CG2 4.35Å; Y123-T162 HydrophobicContact CD2-CG2 4.46Å; Y123-T162 HydrophobicContact CE1-CG2 3.68Å; Y123-T162 HydrophobicContact CE2-CG2 3.83Å; Y123-T162 WeakPolarHBondContact OH-CG2 3.35Å; A158-T162 PolarHBondContact O-N 3.49Å; A158-T162 PolarHBondContact O-OG1 3.25Å; S159-T162 PolarHBondContact O-N 3.05Å; C160-T162 VanDerWaalsContact C-N 3.34Å; C160-T162 PolarHBondContact O-N 2.8Å; T162-L164 VanDerWaalsContact C-N 3.33Å; T162-L164 PolarHBondContact O-N 3.05Å; T162-I165 PolarHBondContact O-N 3.05Å; T162-T166 PolarHBondContact O-N 2.84Å; T162-T166 PolarHBondContact O-OG1 3Å; T162-T166 VanDerWaalsContact O-OG1 3.1Å
163F84.8Confident81.4Confident48 Ų4857.5 Ų57.521%0.21133%0.328CS..Hα-helixtrans-55.2-47.7173.4179.5-85.8000111.6L120 H124 M127 S159 C160 T166 L167L120-F163 HydrophobicContact CB-CE2 4.18Å; L120-F163 HydrophobicContact CD2-CD1 4.37Å; L120-F163 HydrophobicContact CD2-CD2 3.74Å; L120-F163 HydrophobicContact CD2-CE1 4.39Å; L120-F163 HydrophobicContact CD2-CE2 3.76Å; L120-F163 HydrophobicContact CD2-CG 4.05Å; L120-F163 HydrophobicContact CD2-CZ 4.09Å; L120-F163 WeakPolarHBondContact CD2-O 3.36Å; L120-F163 WeakPolarHBondContact O-CE2 3.27Å; H124-F163 HydrophobicContact CB-CE2 4.19Å; M127-F163 HydrophobicContact CE-CB 4.01Å; M127-F163 HydrophobicContact CE-CD1 4.32Å; M127-F163 HydrophobicContact CE-CD2 3.61Å; M127-F163 HydrophobicContact CE-CE2 4.16Å; M127-F163 HydrophobicContact CE-CG 3.72Å; M127-F163 HydrophobicContact SD-CB 4.44Å; S159-F163 WeakPolarHBondContact O-CB 3.44Å; S159-F163 PolarHBondContact O-N 2.95Å; C160-F163 WeakPolarHBondContact O-CB 3.46Å; C160-F163 PolarHBondContact O-N 3.35Å; F163-T166 PolarHBondContact O-N 2.94Å; F163-L167 HydrophobicContact CE1-CD2 4.14Å; F163-L167 WeakPolarHBondContact O-CB 3.46Å; F163-L167 PolarHBondContact O-N 3.38Å
164L83Confident80.8Confident99 Ų9956.7 Ų56.752%0.51833%0.325SS..Hα-helixtrans-63.1-42.7178.9-70.2172.4000112.2C160 S161 T162 T166 L167 D168C160-L164 WeakPolarHBondContact O-CG 3.49Å; C160-L164 PolarHBondContact O-N 3Å; S161-L164 PolarHBondContact O-N 3.22Å; T162-L164 VanDerWaalsContact C-N 3.33Å; T162-L164 PolarHBondContact O-N 3.05Å; L164-T166 PolarHBondContact O-N 3.36Å; L164-L167 WeakPolarHBondContact O-CB 3.21Å; L164-L167 PolarHBondContact O-N 3.44Å; L164-D168 PolarHBondContact O-N 3.4Å
165I78.1Confident80.1Confident72 Ų7259.8 Ų59.837%0.36933%0.332SS..Hα-helixtrans-60.8-48.4177.4-67.8163.7000110.9S161 T162 L167 D168 E169S161-I165 VanDerWaalsContact O-CG1 3.31Å; S161-I165 WeakPolarHBondContact O-CG1 3.34Å; S161-I165 PolarHBondContact O-N 2.75Å; S161-I165 VanDerWaalsContact O-N 3.13Å; T162-I165 PolarHBondContact O-N 3.05Å; I165-L167 PolarHBondContact O-N 2.96Å; I165-D168 PolarHBondContact O-N 3.16Å; I165-E169 WeakPolarHBondContact O-CG 3.49Å; I165-E169 PolarHBondContact O-N 2.73Å
166T78.8Confident79.2Confident4 Ų458.9 Ų58.93%0.02534%0.337CS..Hα-helixtrans-65.5-29.9178.9-55.50000111.6H116 E119 L120 Y123 T162 F163 L164 L170H116-T166 HydrophobicContact CB-CG2 4.29Å; H116-T166 WeakPolarHBondContact ND1-CG2 3.18Å; E119-T166 HydrophobicContact CB-CG2 3.76Å; L120-T166 HydrophobicContact CD2-CG2 4.01Å; L120-T166 HydrophobicContact CG-CG2 3.86Å; Y123-T166 HydrophobicContact CE2-CG2 4.15Å; Y123-T166 VanDerWaalsContact CE2-OG1 3.26Å; Y123-T166 WeakPolarHBondContact CE2-OG1 3.39Å; T162-T166 PolarHBondContact O-N 2.84Å; T162-T166 PolarHBondContact O-OG1 3Å; T162-T166 VanDerWaalsContact O-OG1 3.1Å; F163-T166 PolarHBondContact O-N 2.94Å; L164-T166 PolarHBondContact O-N 3.36Å; T166-L170 WeakPolarHBondContact O-CB 3.19Å; T166-L170 PolarHBondContact O-N 3.05Å
167L86.9Confident77.6Confident70 Ų7061.7 Ų61.737%0.36635%0.349SS..Hα-helixtrans-71.3-43.7176.6-178.863.9000111.1L120 F163 L164 I165 E169 L170 M171L120-L167 HydrophobicContact CD1-CB 4.35Å; L120-L167 HydrophobicContact CD1-CD1 3.83Å; L120-L167 HydrophobicContact CD2-CB 3.86Å; F163-L167 HydrophobicContact CE1-CD2 4.14Å; F163-L167 WeakPolarHBondContact O-CB 3.46Å; F163-L167 PolarHBondContact O-N 3.38Å; L164-L167 WeakPolarHBondContact O-CB 3.21Å; L164-L167 PolarHBondContact O-N 3.44Å; I165-L167 PolarHBondContact O-N 2.96Å; L167-E169 VanDerWaalsContact C-N 3.32Å; L167-E169 PolarHBondContact O-N 3.11Å; L167-L170 WeakPolarHBondContact O-CB 3.29Å; L167-L170 PolarHBondContact O-N 3.38Å; L167-M171 WeakPolarHBondContact O-CB 3.37Å; L167-M171 PolarHBondContact O-N 3.3Å
168D77.7Confident75.5Confident87 Ų8757.5 Ų57.547%0.46533%0.329SS..Hα-helixtrans-61.5-42.4173.9-76.9-20.2000110.9L164 I165 L170 M171 I172L164-D168 PolarHBondContact O-N 3.4Å; I165-D168 PolarHBondContact O-N 3.16Å; D168-L170 VanDerWaalsContact C-N 3.35Å; D168-L170 PolarHBondContact O-N 2.73Å; D168-M171 PolarHBondContact O-N 3.49Å; D168-I172 VanDerWaalsContact O-CG1 3.26Å; D168-I172 WeakPolarHBondContact O-CG1 3.42Å; D168-I172 PolarHBondContact O-N 3.31Å
169E77.8Confident73.5Confident21 Ų2159.7 Ų59.710%0.09834%0.339CS..Hα-helixtrans-61.7-42.5175-73.4171163.300112H54 S56 H116 I165 L167 M171 I172 L173H54-E169 IonicContact CE1-OE1 2.73Å; H54-E169 PolarHBondContact CE1-OE1 2.67Å; H54-E169 IonicContact ND1-OE1 2.76Å; H54-E169 IonicContact NE2-OE1 2.77Å; S56-E169 VanDerWaalsContact CB-OE1 3.29Å; S56-E169 WeakPolarHBondContact CB-OE1 3.45Å; S56-E169 WeakPolarHBondContact OG-CG 3.37Å; S56-E169 PolarHBondContact OG-OE1 3.33Å; H116-E169 VanDerWaalsContact CE1-CB 3.48Å; H116-E169 WeakPolarHBondContact CE1-CB 3.43Å; H116-E169 IonicContact CE1-OE2 3.64Å; H116-E169 PolarHBondContact CE1-OE2 3.46Å; H116-E169 IonicContact ND1-OE2 3.81Å; I165-E169 WeakPolarHBondContact O-CG 3.49Å; I165-E169 PolarHBondContact O-N 2.73Å; L167-E169 VanDerWaalsContact C-N 3.32Å; L167-E169 PolarHBondContact O-N 3.11Å; E169-M171 VanDerWaalsContact C-N 3.34Å; E169-M171 PolarHBondContact O-N 3.45Å; E169-I172 PolarHBondContact O-N 2.94Å; E169-L173 WeakPolarHBondContact O-CB 3.4Å; E169-L173 VanDerWaalsContact O-CG 3.29Å; E169-L173 WeakPolarHBondContact O-CG 3.31Å; E169-L173 PolarHBondContact O-N 3.06Å
170L84.3Confident71.7Confident22 Ų2268.9 Ų68.912%0.11537%0.372CS..Hα-helixtrans-62.2-42.5174.5-176.865.3000111.7I113 H116 R117 L120 T166 L167 D168 I172 L173 S174I113-L170 HydrophobicContact CB-CD1 4.24Å; I113-L170 HydrophobicContact CG1-CD1 4.42Å; I113-L170 HydrophobicContact CG2-CD1 3.83Å; I113-L170 WeakPolarHBondContact O-CD1 3.46Å; H116-L170 HydrophobicContact CB-CB 4.09Å; H116-L170 HydrophobicContact CB-CD1 3.82Å; H116-L170 HydrophobicContact CB-CG 4.48Å; R117-L170 HydrophobicContact CG-CD1 3.96Å; R117-L170 HydrophobicContact CG-CD2 3.75Å; L120-L170 HydrophobicContact CD1-CB 4.31Å; L120-L170 HydrophobicContact CD1-CD2 3.48Å; L120-L170 VanDerWaalsContact CD1-CD2 3.48Å; T166-L170 WeakPolarHBondContact O-CB 3.19Å; T166-L170 PolarHBondContact O-N 3.05Å; L167-L170 WeakPolarHBondContact O-CB 3.29Å; L167-L170 PolarHBondContact O-N 3.38Å; D168-L170 VanDerWaalsContact C-N 3.35Å; D168-L170 PolarHBondContact O-N 2.73Å; L170-I172 VanDerWaalsContact C-N 3.33Å; L170-I172 PolarHBondContact O-N 3.37Å; L170-L173 PolarHBondContact O-N 3.35Å; L170-S174 WeakPolarHBondContact O-CB 3.31Å; L170-S174 PolarHBondContact O-N 2.97Å; L170-S174 PolarHBondContact O-OG 2.93Å
171M80.3Confident69.4Low98 Ų9871.5 Ų71.548%0.48338%0.383SS..Hα-helixtrans-64.1-38.5178.3-175.1173.755.500111.4L167 D168 E169 S174 N175L167-M171 WeakPolarHBondContact O-CB 3.37Å; L167-M171 PolarHBondContact O-N 3.3Å; D168-M171 PolarHBondContact O-N 3.49Å; E169-M171 VanDerWaalsContact C-N 3.34Å; E169-M171 PolarHBondContact O-N 3.45Å; M171-S174 WeakPolarHBondContact CA-OG 3.39Å; M171-S174 PolarHBondContact O-OG 3.11Å; M171-N175 WeakPolarHBondContact O-CB 2.94Å; M171-N175 PolarHBondContact O-N 3.2Å; M171-N175 PolarHBondContact O-ND2 3.08Å
172I79.3Confident67.3Low109 Ų10972.9 Ų72.956%0.55939%0.393SS*.Hα-helixtrans-64.6-47.6173.6-67.3163.3000110.4D168 E169 L170 S174 N175 A176D168-I172 VanDerWaalsContact O-CG1 3.26Å; D168-I172 WeakPolarHBondContact O-CG1 3.42Å; D168-I172 PolarHBondContact O-N 3.31Å; E169-I172 PolarHBondContact O-N 2.94Å; L170-I172 VanDerWaalsContact C-N 3.33Å; L170-I172 PolarHBondContact O-N 3.37Å; I172-S174 VanDerWaalsContact C-N 3.33Å; I172-S174 PolarHBondContact O-N 3.38Å; I172-N175 PolarHBondContact O-N 2.99Å; I172-A176 PolarHBondContact O-N 3.34Å; I172-A176 VanDerWaalsContact O-N 3.07Å
173L76.7Confident65.1Low34 Ų3474.6 Ų74.618%0.17841%0.406CS..Hα-helixtrans-63.2-38.1179-72.2171000112.4Q109 L112 I113 H116 E169 L170Q109-L173 PolarHBondContact NE2-O 3.49Å; L112-L173 HydrophobicContact CB-CD1 3.96Å; L112-L173 HydrophobicContact CB-CD2 4.4Å; L112-L173 HydrophobicContact CD1-CD2 4.33Å; I113-L173 HydrophobicContact CD1-CB 4.5Å; I113-L173 HydrophobicContact CG1-CB 3.82Å; H116-L173 WeakPolarHBondContact CD2-CD1 3.38Å; E169-L173 WeakPolarHBondContact O-CB 3.4Å; E169-L173 VanDerWaalsContact O-CG 3.29Å; E169-L173 WeakPolarHBondContact O-CG 3.31Å; E169-L173 PolarHBondContact O-N 3.06Å; L170-L173 PolarHBondContact O-N 3.35Å
174S74.4Confident62.7Low49 Ų4978.2 Ų78.234%0.34343%0.427SS..Hα-helixtrans-71-38176.761.90000112.4L170 M171 I172 A176 Q177L170-S174 WeakPolarHBondContact O-CB 3.31Å; L170-S174 PolarHBondContact O-N 2.97Å; L170-S174 PolarHBondContact O-OG 2.93Å; M171-S174 WeakPolarHBondContact CA-OG 3.39Å; M171-S174 PolarHBondContact O-OG 3.11Å; I172-S174 VanDerWaalsContact C-N 3.33Å; I172-S174 PolarHBondContact O-N 3.38Å; S174-A176 VanDerWaalsContact C-N 3.28Å; S174-A176 PolarHBondContact O-N 3.32Å; S174-Q177 WeakPolarHBondContact O-CB 3.45Å; S174-Q177 PolarHBondContact O-N 2.99Å; S174-Q177 VanDerWaalsContact O-N 3.11Å
175N70.6Confident60.4Low107 Ų10779.9 Ų79.957%0.57244%0.441SS*.Hα-helixtrans-66.7-32.6176.9-73.6-17.2000111.7M171 I172 Q177 A178M171-N175 WeakPolarHBondContact O-CB 2.94Å; M171-N175 PolarHBondContact O-N 3.2Å; M171-N175 PolarHBondContact O-ND2 3.08Å; I172-N175 PolarHBondContact O-N 2.99Å; N175-Q177 PolarHBondContact O-N 2.99Å; N175-A178 CarbonylContact O-C 3.58Å; N175-A178 PolarHBondContact O-N 3.3Å
176A62.6Low58.3Low58 Ų5882 Ų8248%0.47946%0.458SS..THydrogen-bonded Turntrans-68.2-17.6173.600000113.6I172 S174I172-A176 PolarHBondContact O-N 3.34Å; I172-A176 VanDerWaalsContact O-N 3.07Å; S174-A176 VanDerWaalsContact C-N 3.28Å; S174-A176 PolarHBondContact O-N 3.32Å
177Q53.1Low55.8Low92 Ų9284.8 Ų84.843%0.4349%0.487SS..THydrogen-bonded Turntrans-82.1-11.5175-111.3179.5-1.300113.7T110 I113 S174 N175T110-Q177 PolarHBondContact OG1-NE2 3.13Å; I113-Q177 VanDerWaalsContact CD1-CD 3.49Å; I113-Q177 HydrophobicContact CD1-CG 4.38Å; S174-Q177 WeakPolarHBondContact O-CB 3.45Å; S174-Q177 PolarHBondContact O-N 2.99Å; S174-Q177 VanDerWaalsContact O-N 3.11Å; N175-Q177 PolarHBondContact O-N 2.99Å
178A39.8Very low53Low20 Ų2088.1 Ų88.117%0.16551%0.51CS..  trans-140.174.9179.200000112.7N175 W180 L181N175-A178 CarbonylContact O-C 3.58Å; N175-A178 PolarHBondContact O-N 3.3Å; A178-W180 PolarHBondContact O-N 2.98Å; A178-L181 HydrophobicContact CB-CB 4.14Å; A178-L181 HydrophobicContact CB-CD1 3.82Å; A178-L181 HydrophobicContact CB-CG 4Å; A178-L181 PolarHBondContact O-N 3.12Å; A178-L181 VanDerWaalsContact O-N 3.13Å
179P38Very low50.6Low102 Ų10289.7 Ų89.766%0.66252%0.523SS*.THydrogen-bonded Turntrans-61.4-1.2174.7-2031.7000115.4S182P179-S182 PolarHBondContact O-OG 3.02Å
180W41.1Very low48.2Very low202 Ų20295.9 Ų95.977%0.76556%0.556SS**THydrogen-bonded Turntrans-110.3-8.9-176.450.9-55.9000112.8A178A178-W180 PolarHBondContact O-N 2.98Å
181L33.5Very low45.5Very low98 Ų98102.6 Ų102.651%0.51359%0.587SS.*THydrogen-bonded Turntrans-96.6-13.6174.7-66.6178.9000113.1A178 S183 I184A178-L181 HydrophobicContact CB-CB 4.14Å; A178-L181 HydrophobicContact CB-CD1 3.82Å; A178-L181 HydrophobicContact CB-CG 4Å; A178-L181 PolarHBondContact O-N 3.12Å; A178-L181 VanDerWaalsContact O-N 3.13Å; L181-S183 PolarHBondContact O-N 3.2Å; L181-S183 VanDerWaalsContact O-N 3.17Å; L181-I184 HydrophobicContact CD2-CD1 4.07Å; L181-I184 PolarHBondContact O-N 2.92Å; L181-I184 VanDerWaalsContact O-N 3.12Å
182S33.6Very low43.2Very low86 Ų86103.8 Ų103.860%0.60160%0.6SS**THydrogen-bonded Turntrans-70.4-1.1175.743.30000114.8P179P179-S182 PolarHBondContact O-OG 3.02Å
183S31.8Very low40.6Very low88 Ų88104.2 Ų104.262%0.61561%0.613SS**THydrogen-bonded Turntrans-96.2-6.1167.981.70000114.3L181L181-S183 PolarHBondContact O-N 3.2Å; L181-S183 VanDerWaalsContact O-N 3.17Å
184I35.4Very low38.4Very low124 Ų124108.1 Ų108.164%0.63664%0.64SS**SBendtrans-96.1-12.8-173.4-63.2178.4000112.6L181L181-I184 HydrophobicContact CD2-CD1 4.07Å; L181-I184 PolarHBondContact O-N 2.92Å; L181-I184 VanDerWaalsContact O-N 3.12Å
185V35.6Very low36.4Very low134 Ų134111.8 Ų111.881%0.81266%0.66SS**SBendtrans-104.2-6.3-179.8-176.50000113.1
186T32.2Very low34.3Very low118 Ų118113.1 Ų113.172%0.72467%0.666SS**SBendtrans-118.276.3172.148.70000110.1
187G27.5Very low32.7Very low62 Ų62120.4 Ų120.464%0.63969%0.687SS**  trans176.954.3-17700000114.3T189G187-T189 VanDerWaalsContact C-N 3.3Å; G187-T189 PolarHBondContact O-N 3.29Å
188T26.9Very low31.5Very low140 Ų140126 Ų12686%0.85970%0.704SS**  trans-64.195.515547.20000108.2
189T29Very low30.8Very low120 Ų120131.6 Ų131.674%0.73673%0.731SS**  trans171.5112.214243.70000111.1G187G187-T189 VanDerWaalsContact C-N 3.3Å; G187-T189 PolarHBondContact O-N 3.29Å
190L26.7Very low30.4Very low150 Ų150133.8 Ų133.879%0.78574%0.743SS**  trans60.8113.9135.7-68.5152.4000120.5
191E27.5Very low29.7Very low164 Ų164128.8 Ų128.877%0.76674%0.739SS**  trans94.9118.2132.1-70-166.6174.500122.4
192T30.7Very low29.5Very low122 Ų122130.8 Ų130.875%0.74876%0.76SS**  trans82.991.6141.156.10000121.1
193S26.7Very low29.1Very low119 Ų119133.8 Ų133.883%0.83277%0.768SS**  57148.6126.8-62.10000124.3
194P28.7Very low29.1Very low116 Ų116136.6 Ų136.675%0.75378%0.782SS**  trans-117.6155-155.238.2-22.2000114.8
195T32.4Very low28.6Very low126 Ų126137.6 Ų137.677%0.77379%0.788SS**  trans-158.7115.9166.31.10000113.7
196I27.7Very low28.5Very low134 Ų134137.2 Ų137.269%0.68779%0.787SS**  46.2123.5129.6-56.3174.7000117.8
197F29.2Very low28.4Very low211 Ų211138.7 Ų138.793%0.92579%0.79SS**  -163.2139.9122.8-109.7-77.8000113.8
198R27.2Very low28.8Very low210 Ų210141.1 Ų141.179%0.79280%0.795SS**  trans-83.5157-169.6-89.1173.2170.5148.2-3.7114.8
199N25.8Very low29Very low137 Ų137139.8 Ų139.873%0.73379%0.791SS**  trans39.6132.7135.1-59.9-1.7000121.3
200T29.5Very low28.9Very low148 Ų148141.2 Ų141.291%0.90879%0.794SS**  -160.2130.8118.611.40000113.4
201S26.6Very low29.2Very low98 Ų98142.1 Ų142.169%0.68580%0.798SS**  trans-86.7151.617246.50000112.4
202C28.5Very low29.2Very low139 Ų139142.5 Ų142.594%0.93980%0.8SS**  trans-142.5114.2153.8-71.10000110.9
203L24.5Very low29.1Very low149 Ų149141.1 Ų141.178%0.7880%0.795SS**  trans-78.3158.7161.6-71.4123.1000110.2
204T32.5Very low29.4Very low148 Ų148141.5 Ų141.591%0.90880%0.795SS**  -170.2133.412443.80000112.8
205N26.1Very low29.3Very low144 Ų144143.4 Ų143.477%0.7780%0.798SS**  trans-75.7163.5174.4-73.5-26.2000114.7
206T32.8Very low29.3Very low127 Ų127146.8 Ų146.878%0.77981%0.808SS**  trans156143.6132.542.70000108
207D30Very low29.3Very low148 Ų148144.8 Ų144.879%0.79181%0.805SS**  cis-166.3164-7.2-105.7-28.8000107.6
208P35.5Very low29.2Very low113 Ų113141.3 Ų141.373%0.73480%0.797SS**  trans-107.6157.1-173.738-29000114.7
209S32.2Very low29.2Very low112 Ų112138.3 Ų138.378%0.78380%0.796SS**  trans-172.6129.5150.144.50000115.4
210N27.1Very low29.3Very low150 Ų150140.5 Ų140.580%0.80281%0.807SS**  trans50.2127.6141.5-65.2-27000122.3
211I31.2Very low29Very low170 Ų170139.8 Ų139.887%0.87281%0.807SS**  -175.6129.5108.8-84.1150.1000111.9
212H28Very low28.9Very low172 Ų172140.6 Ų140.680%0.79681%0.812SS**  trans-29.5134.1165.3-93.6-9000119.6
213S29.9Very low28.9Very low93 Ų93139 Ų13965%0.6580%0.802SS**  107.316386.8-72.70000112.1
214P32.6Very low29Very low127 Ų127140.1 Ų140.183%0.82581%0.808SS**  cis-135.1171.4-2.832.7-10.6000117.1
215N26.6Very low28.7Very low155 Ų155139 Ų13983%0.82980%0.802SS**  trans-39.5142.8166.6-81.1-36.2000118
216M31.1Very low28.6Very low198 Ų198139.1 Ų139.198%0.97580%0.802SS**  trans-118.2137.4135.8-97.1-145.117400110.4
217S28Very low28.4Very low91 Ų91140.2 Ų140.264%0.63680%0.803SS**  trans-97.9148.3-154.847.80000114.8
218N28.1Very low28.2Very low138 Ų138138 Ų13874%0.73880%0.8SS**  48.2120.8129.9-58.8-13.2000119.8
219N26.3Very low27.8Very low147 Ų147140.2 Ų140.279%0.78681%0.805SS**  167.9115.1106.9-84.9-29000109.9
220L27.4Very low27.5Very low183 Ų183143 Ų14396%0.95880%0.803SS**  trans16669.3146.4-91.3147000109.5
221C24.7Very low27.5Very low133 Ų133146.1 Ų146.190%0.89980%0.803SS**  trans-14977160.2-151.70000108.9
222S24.9Very low27.4Very low115 Ų115143.3 Ų143.380%0.80479%0.79SS**  trans-151.673.3173.7640000109.5
223S26.5Very low27.9Very low105 Ų105139.2 Ų139.273%0.73478%0.781SS**SBendtrans-176.4146.7147.958.10000107.5
224L27.9Very low28.3Very low173 Ų173138.3 Ų138.391%0.90677%0.766SS**  trans90.642.8-178.5-46.3169.7000115.3
225T25.5Very low28.3Very low125 Ų125134.2 Ų134.277%0.76774%0.743SS**  trans-82.9137.2141.451.80000108.1
226N25.2Very low28.5Very low146 Ų146132.5 Ų132.578%0.78173%0.73SS**  trans100.884.6-179.1-53.8-15.4000113.4
227D27.1Very low28.9Very low150 Ų150124.8 Ų124.880%0.80270%0.695SS**  -162.5121.9117.7-93.9-24.9000110
228S25.6Very low29.4Very low102 Ų102123 Ų12371%0.71368%0.683SS**  trans-60.4153.5165.442.80000109.7
229L27.1Very low30Very low160 Ų160120.7 Ų120.784%0.83867%0.67SS**  trans108.362170.8-53.9164.4000116.7R231L229-R231 PolarHBondContact O-N 3.32Å
230F27Very low30.7Very low171 Ų171118.5 Ų118.575%0.7566%0.659SS**  trans-8483.8161.4-83.4-84.5000111.1I270F230-I270 HydrophobicContact CB-CD1 3.62Å; F230-I270 HydrophobicContact CD1-CD1 4.22Å; F230-I270 HydrophobicContact CD2-CD1 3.55Å; F230-I270 HydrophobicContact CD2-CG1 4.3Å; F230-I270 HydrophobicContact CE2-CD1 4.26Å; F230-I270 HydrophobicContact CG-CD1 3.52Å
231R27Very low31.8Very low214 Ų214111.2 Ų111.281%0.80862%0.618SS**  trans-133.5116.4165.5-163.3-176.2-95.4-150.6-1.9107.1L229L229-R231 PolarHBondContact O-N 3.32Å
232N29.8Very low32.8Very low111 Ų111113.8 Ų113.859%0.59461%0.609SS**  trans74.474.4173.6-63.1-15.3000119.7A235 Q236N232-A235 HydrophobicContact CB-CB 4.27Å; N232-Q236 WeakPolarHBondContact O-CG 3.37Å
233S37.1Very low33.8Very low86 Ų86114.7 Ų114.760%0.60160%0.6SS**Hα-helixtrans-71.9-36.8167.654.30000114.1Q236 S237S233-Q236 PolarHBondContact O-N 3.37Å; S233-S237 PolarHBondContact O-N 3.22Å; S233-S237 VanDerWaalsContact O-N 3.09Å
234H39.3Very low34.9Very low74 Ų74116.6 Ų116.634%0.34360%0.596SS.*Hα-helixtrans-70.8-33.1-177.4-82.6-38000115.2S237 S238 E290H234-S237 PolarHBondContact O-OG 2.89Å; H234-S238 PolarHBondContact O-OG 3.03Å; H234-E290 IonicContact CE1-OE1 3.79Å; H234-E290 PolarHBondContact CE1-OE1 3.26Å; H234-E290 IonicContact ND1-OE1 3.6Å; H234-E290 PolarHBondContact ND1-OE1 3.33Å
235A31.5Very low36.3Very low42 Ų42109.4 Ų109.435%0.34756%0.558SS.*Hα-helixtrans-73.6-38.6175.900000110.4N232 S238 L239N232-A235 HydrophobicContact CB-CB 4.27Å; A235-S238 PolarHBondContact O-OG 3.24Å; A235-L239 WeakPolarHBondContact O-CB 3.44Å; A235-L239 WeakPolarHBondContact O-CD1 3.48Å; A235-L239 WeakPolarHBondContact O-CG 3.32Å; A235-L239 PolarHBondContact O-N 3.47Å
236Q31.1Very low37.8Very low119 Ų119107.5 Ų107.556%0.55656%0.555SS**Hα-helixtrans-70.8-37.2-179.1-74.3179.5-19.300113N232 S233 N240N232-Q236 WeakPolarHBondContact O-CG 3.37Å; S233-Q236 PolarHBondContact O-N 3.37Å; Q236-N240 VanDerWaalsContact O-CB 3.26Å; Q236-N240 WeakPolarHBondContact O-CB 3.4Å; Q236-N240 PolarHBondContact O-N 3.13Å; Q236-N240 PolarHBondContact O-ND2 3.39Å; Q236-N240 VanDerWaalsContact O-ND2 3.15Å
237S39.2Very low39.6Very low35 Ų35106 Ų10625%0.24555%0.551CS.*Hα-helixtrans-66.7-48178.166.40000112.1S233 H234 L239 N240 R241S233-S237 PolarHBondContact O-N 3.22Å; S233-S237 VanDerWaalsContact O-N 3.09Å; H234-S237 PolarHBondContact O-OG 2.89Å; S237-L239 PolarHBondContact O-N 2.89Å; S237-N240 PolarHBondContact O-N 2.65Å; S237-R241 PolarHBondContact O-N 3.48Å
238S38.1Very low41.7Very low53 Ų53101 Ų10137%0.37152%0.521SS..Hα-helixtrans-65.4-36.5177.557.50000113.2H234 A235 R242H234-S238 PolarHBondContact O-OG 3.03Å; A235-S238 PolarHBondContact O-OG 3.24Å; S238-R242 WeakPolarHBondContact O-CG 3.31Å; S238-R242 PolarHBondContact O-N 3.01Å; S238-R242 VanDerWaalsContact O-N 3.14Å
239L41.3Very low44Very low91 Ų91102.1 Ų102.148%0.47651%0.513SS..Hα-helixtrans-66.9-42.9173-76.1163.8000111.9A235 S237 R241 R242 H243A235-L239 WeakPolarHBondContact O-CB 3.44Å; A235-L239 WeakPolarHBondContact O-CD1 3.48Å; A235-L239 WeakPolarHBondContact O-CG 3.32Å; A235-L239 PolarHBondContact O-N 3.47Å; S237-L239 PolarHBondContact O-N 2.89Å; L239-R241 PolarHBondContact O-N 3.18Å; L239-R242 PolarHBondContact O-N 2.86Å; L239-H243 PolarHBondContact O-CD2 3.15Å; L239-H243 VanDerWaalsContact O-CD2 3.32Å; L239-H243 PolarHBondContact O-N 3.48Å
240N42.3Very low46.5Very low101 Ų10195.6 Ų95.654%0.5448%0.477SS..Hα-helixtrans-66-38.5179.8-76.6-23.8000112.3Q236 S237 H243 F244Q236-N240 VanDerWaalsContact O-CB 3.26Å; Q236-N240 WeakPolarHBondContact O-CB 3.4Å; Q236-N240 PolarHBondContact O-N 3.13Å; Q236-N240 PolarHBondContact O-ND2 3.39Å; Q236-N240 VanDerWaalsContact O-ND2 3.15Å; S237-N240 PolarHBondContact O-N 2.65Å; N240-H243 PolarHBondContact O-N 3.17Å; N240-F244 PolarHBondContact O-N 3.05Å
241R49Very low49.4Very low30 Ų3089.7 Ų89.711%0.11345%0.452CS..Hα-helixtrans-68.6-39.4174.5-179.8178.3-85.1-113.8-17.2112S237 L239 H243 F244 N245 F254 L257 S260 E262 E263S237-R241 PolarHBondContact O-N 3.48Å; L239-R241 PolarHBondContact O-N 3.18Å; R241-H243 VanDerWaalsContact C-N 3.27Å; R241-H243 PolarHBondContact O-N 2.96Å; R241-F244 PolarHBondContact O-N 3.42Å; R241-N245 WeakPolarHBondContact CG-ND2 3.42Å; R241-N245 WeakPolarHBondContact O-CB 3.42Å; R241-N245 PolarHBondContact O-N 3.12Å; R241-N245 PolarHBondContact O-ND2 2.92Å; R241-F254 PolarHBondContact NH1-O 3.22Å; R241-L257 PolarHBondContact NH1-O 3.03Å; R241-S260 PolarHBondContact NH2-OG 2.94Å; R241-E262 IonicContact CZ-OE1 3.9Å; R241-E262 IonicContact NH2-OE1 2.81Å; R241-E262 PolarHBondContact NH2-OE1 3.14Å; R241-E263 VanDerWaalsContact CB-OE1 3.27Å; R241-E263 WeakPolarHBondContact CB-OE1 3.31Å; R241-E263 VanDerWaalsContact CD-OE1 3.25Å; R241-E263 WeakPolarHBondContact CD-OE1 3.5Å; R241-E263 IonicContact CZ-OE1 3.12Å; R241-E263 IonicContact NE-OE1 3.89Å; R241-E263 PolarHBondContact NE-OE1 3.49Å; R241-E263 IonicContact NH2-OE1 3.69Å
242R46.6Very low52.3Low187 Ų18779.5 Ų79.571%0.70641%0.414SS*.Hα-helixtrans-59.4-39.1172.5-75.9179.8-177176.22.7111.8S238 L239 A246S238-R242 WeakPolarHBondContact O-CG 3.31Å; S238-R242 PolarHBondContact O-N 3.01Å; S238-R242 VanDerWaalsContact O-N 3.14Å; L239-R242 PolarHBondContact O-N 2.86Å; R242-A246 WeakPolarHBondContact O-CB 3.14Å; R242-A246 PolarHBondContact O-N 3.18Å
243H45.8Very low55.2Low134 Ų13474.5 Ų74.562%0.6239%0.387SS*.Hα-helixtrans-70-43.2175.1-84.7-68.4000113.6L239 N240 R241L239-H243 PolarHBondContact O-CD2 3.15Å; L239-H243 VanDerWaalsContact O-CD2 3.32Å; L239-H243 PolarHBondContact O-N 3.48Å; N240-H243 PolarHBondContact O-N 3.17Å; R241-H243 VanDerWaalsContact C-N 3.27Å; R241-H243 PolarHBondContact O-N 2.96Å
244F50.4Low57.7Low144 Ų14470.5 Ų70.563%0.63236%0.359SS*.Hα-helixtrans-71.9-28.4177.1-96.2-82000113.6N240 R241 T247N240-F244 PolarHBondContact O-N 3.05Å; R241-F244 PolarHBondContact O-N 3.42Å; F244-T247 PolarHBondContact O-OG1 3.35Å
245N56.6Low60.1Low23 Ų2367 Ų6712%0.12334%0.343CS..Hα-helixtrans-81.2-28.2176.5-73.5-14.8000112.5R241 T247 R248 Q251 S255R241-N245 WeakPolarHBondContact CG-ND2 3.42Å; R241-N245 WeakPolarHBondContact O-CB 3.42Å; R241-N245 PolarHBondContact O-N 3.12Å; R241-N245 PolarHBondContact O-ND2 2.92Å; N245-T247 PolarHBondContact O-N 3.08Å; N245-R248 PolarHBondContact O-N 3.41Å; N245-R248 PolarHBondContact OD1-NE 3.39Å; N245-Q251 PolarHBondContact O-NE2 3.44Å; N245-S255 PolarHBondContact ND2-O 2.96Å
246A55.7Low62.8Low84 Ų8468 Ų6869%0.69434%0.344SS*.Hα-helixtrans-67.3-18.8175.900000113.3R242R242-A246 WeakPolarHBondContact O-CB 3.14Å; R242-A246 PolarHBondContact O-N 3.18Å
247T64.3Low65.5Low115 Ų11562.7 Ų62.771%0.70632%0.32SS*.THydrogen-bonded Turntrans-93.4-4.6179.557.60000113.9F244 N245F244-T247 PolarHBondContact O-OG1 3.35Å; N245-T247 PolarHBondContact O-N 3.08Å
248R70Confident67.8Low46 Ų4667.7 Ų67.717%0.17434%0.339CS..  trans-82131.7-177.5-67.2173.7-178.2-89.916.4110.9N245 D553N245-R248 PolarHBondContact O-N 3.41Å; N245-R248 PolarHBondContact OD1-NE 3.39Å; R248-D553 IonicContact CZ-OD1 3.56Å; R248-D553 IonicContact CZ-OD2 3.5Å; R248-D553 VanDerWaalsContact NH1-CG 3.33Å; R248-D553 IonicContact NH1-OD1 2.69Å; R248-D553 PolarHBondContact NH1-OD1 2.89Å; R248-D553 IonicContact NH1-OD2 3.27Å; R248-D553 PolarHBondContact NH1-OD2 3.23Å; R248-D553 IonicContact NH2-OD1 3.19Å; R248-D553 PolarHBondContact NH2-OD1 3.12Å
249K74.8Confident70.1Confident125 Ų12568.5 Ų68.554%0.54334%0.335SS..SBendtrans-70.1-31.5175.7-172.5177.7177.7-174.30113E545K249-E545 WeakPolarHBondContact CE-OE2 3.41Å; K249-E545 IonicContact NZ-OE1 3.02Å; K249-E545 IonicContact NZ-OE2 2.85Å; K249-E545 PolarHBondContact NZ-OE2 3.36Å
250Y80.1Confident72.5Confident22 Ų2264.3 Ų64.39%0.08631%0.313CS..SBendtrans-131.5126.1177.7-55.8-80.1000109.6I518 E545 A546Y250-I518 HydrophobicContact CD1-CD1 3.62Å; Y250-I518 HydrophobicContact CE1-CD1 3.66Å; Y250-E545 HydrophobicContact CD2-CB 4.35Å; Y250-E545 HydrophobicContact CE2-CB 3.55Å; Y250-E545 WeakPolarHBondContact CE2-OE2 3.24Å; Y250-E545 PolarHBondContact OH-OE2 2.94Å; Y250-E545 VanDerWaalsContact OH-OE2 3.06Å; Y250-A546 HydrophobicContact CD1-CB 3.82Å; Y250-A546 HydrophobicContact CD2-CB 4.1Å; Y250-A546 HydrophobicContact CE1-CB 4.12Å; Y250-A546 HydrophobicContact CE2-CB 4.38Å; Y250-A546 HydrophobicContact CG-CB 3.81Å
251Q86.5Confident74.8Confident47 Ų4759.7 Ų59.722%0.2229%0.288CS..  trans-81.4135.1173.1-67.9-79.5-5.400110.2N245 S255 T256 M512 D513N245-Q251 PolarHBondContact O-NE2 3.44Å; Q251-S255 PolarHBondContact OE1-OG 3.22Å; Q251-T256 HydrophobicContact CB-CG2 3.93Å; Q251-T256 HydrophobicContact CG-CG2 4.34Å; Q251-M512 HydrophobicContact CB-CB 3.95Å; Q251-M512 HydrophobicContact CB-CG 4.42Å; Q251-M512 PolarHBondContact O-N 2.82Å; Q251-D513 WeakPolarHBondContact CB-OD2 3.37Å; Q251-D513 PolarHBondContact N-OD2 3.45Å
252T88.9Confident76.7Confident0 Ų060.6 Ų60.60%029%0.294CS..BIsolated β-bridgetrans-116.1159.8177.569.90000108.7F254 S255 T256 L510 M512 Q549 L550 D553T252-F254 PolarHBondContact O-N 2.84Å; T252-S255 PolarHBondContact N-OG 3.38Å; T252-S255 PolarHBondContact O-N 2.84Å; T252-S255 VanDerWaalsContact O-N 3.12Å; T252-S255 PolarHBondContact O-OG 2.91Å; T252-S255 PolarHBondContact OG1-N 3.49Å; T252-S255 VanDerWaalsContact OG1-N 3.13Å; T252-S255 PolarHBondContact OG1-OG 2.93Å; T252-T256 WeakPolarHBondContact O-CG2 3.31Å; T252-T256 PolarHBondContact O-N 3.35Å; T252-T256 PolarHBondContact O-OG1 2.67Å; T252-T256 VanDerWaalsContact O-OG1 3.08Å; T252-L510 CarbonylContact C-O 3.56Å; T252-L510 WeakPolarHBondContact CA-O 3.34Å; T252-M512 VanDerWaalsContact C-CG 3.49Å; T252-Q549 HydrophobicContact CG2-CG 4.17Å; T252-L550 HydrophobicContact CG2-CB 4.02Å; T252-L550 HydrophobicContact CG2-CD1 4.08Å; T252-D553 HydrophobicContact CG2-CB 4.48Å; T252-D553 WeakPolarHBondContact CG2-OD2 3.3Å; T252-D553 WeakPolarHBondContact OG1-CB 3.16Å; T252-D553 PolarHBondContact OG1-OD2 3.38Å
253F90.2Very high78.5Confident6 Ų654.1 Ų54.13%0.02627%0.271CS..Hα-helixtrans-49.9-45.5174.2172.9-101.6000111T256 L257 L298 H300 F301 L510 M512F253-T256 PolarHBondContact O-N 2.87Å; F253-T256 PolarHBondContact O-OG1 3.45Å; F253-L257 HydrophobicContact CE1-CD1 4.46Å; F253-L257 HydrophobicContact CE1-CD2 3.96Å; F253-L257 HydrophobicContact CE2-CD2 4.07Å; F253-L257 HydrophobicContact CZ-CD2 3.68Å; F253-L257 WeakPolarHBondContact O-CG 3.2Å; F253-L257 PolarHBondContact O-N 3.36Å; F253-L298 HydrophobicContact CE1-CD1 4.11Å; F253-H300 HydrophobicContact CE2-CB 4.12Å; F253-F301 HydrophobicContact CD1-CD2 4.46Å; F253-F301 HydrophobicContact CE1-CB 3.96Å; F253-F301 HydrophobicContact CE1-CD2 4.23Å; F253-F301 HydrophobicContact CE2-CB 4.45Å; F253-F301 HydrophobicContact CZ-CB 3.7Å; F253-L510 HydrophobicContact CB-CB 4.45Å; F253-L510 HydrophobicContact CB-CD2 3.66Å; F253-L510 HydrophobicContact CD1-CD2 4.04Å; F253-L510 HydrophobicContact CG-CD2 3.92Å; F253-L510 PolarHBondContact N-O 3.47Å; F253-M512 HydrophobicContact CB-CE 3.89Å; F253-M512 HydrophobicContact CB-SD 4.48Å
254F91Very high80.4Confident2 Ų248.5 Ų48.51%0.00925%0.246CC..Hα-helixtrans-68.5-35.3-179.2-55.5-72.6000113.6R241 T252 I445 L550 D553 A554 Y557R241-F254 PolarHBondContact NH1-O 3.22Å; T252-F254 PolarHBondContact O-N 2.84Å; F254-I445 HydrophobicContact CE1-CD1 3.62Å; F254-I445 HydrophobicContact CE1-CG1 4.47Å; F254-I445 HydrophobicContact CZ-CD1 3.79Å; F254-I445 HydrophobicContact CZ-CG1 4.15Å; F254-L550 HydrophobicContact CD2-CD1 4.18Å; F254-L550 HydrophobicContact CE2-CD1 4.2Å; F254-D553 HydrophobicContact CB-CB 4.15Å; F254-A554 HydrophobicContact CD2-CB 3.77Å; F254-A554 HydrophobicContact CE2-CB 3.45Å; F254-A554 VanDerWaalsContact CE2-CB 3.45Å; F254-A554 HydrophobicContact CZ-CB 4.12Å; F254-Y557 AromaticContact CD1-CD1 3.71Å; F254-Y557 HydrophobicContact CD1-CD1 3.71Å; F254-Y557 HydrophobicContact CD1-CD2 4.11Å; F254-Y557 HydrophobicContact CD1-CE1 4.22Å; F254-Y557 AromaticContact CD1-CG 3.64Å; F254-Y557 HydrophobicContact CD1-CG 3.64Å; F254-Y557 AromaticContact CE1-CD1 3.87Å; F254-Y557 HydrophobicContact CE1-CD1 3.87Å; F254-Y557 HydrophobicContact CE1-CE1 4.26Å; F254-Y557 HydrophobicContact CE1-CG 4.26Å; F254-Y557 HydrophobicContact CG-CG 4.4Å
255S88Confident81.8Confident2 Ų248.9 Ų48.91%0.01425%0.247CC..Hα-helixtrans-70.1-34.7174.8720000111.7N245 Q251 T252 L257N245-S255 PolarHBondContact ND2-O 2.96Å; Q251-S255 PolarHBondContact OE1-OG 3.22Å; T252-S255 PolarHBondContact N-OG 3.38Å; T252-S255 PolarHBondContact O-N 2.84Å; T252-S255 VanDerWaalsContact O-N 3.12Å; T252-S255 PolarHBondContact O-OG 2.91Å; T252-S255 PolarHBondContact OG1-N 3.49Å; T252-S255 VanDerWaalsContact OG1-N 3.13Å; T252-S255 PolarHBondContact OG1-OG 2.93Å; S255-L257 PolarHBondContact O-N 2.98Å
256T88.1Confident82.5Confident61 Ų6149.7 Ų49.737%0.37425%0.254SS..Hα-helixtrans-82.2-5.6-176.858.30000115.6Q251 T252 F253 E258 M512Q251-T256 HydrophobicContact CB-CG2 3.93Å; Q251-T256 HydrophobicContact CG-CG2 4.34Å; T252-T256 WeakPolarHBondContact O-CG2 3.31Å; T252-T256 PolarHBondContact O-N 3.35Å; T252-T256 PolarHBondContact O-OG1 2.67Å; T252-T256 VanDerWaalsContact O-OG1 3.08Å; F253-T256 PolarHBondContact O-N 2.87Å; F253-T256 PolarHBondContact O-OG1 3.45Å; T256-E258 PolarHBondContact O-N 3.24Å; T256-M512 HydrophobicContact CG2-CB 4.36Å; T256-M512 HydrophobicContact CG2-CG 3.73Å
257L87.9Confident83Confident9 Ų949.1 Ų49.15%0.04725%0.245CC..  trans-60.6124.7175.7-63.5174.1000110.7R241 F253 S255 Y259 C297 Y557R241-L257 PolarHBondContact NH1-O 3.03Å; F253-L257 HydrophobicContact CE1-CD1 4.46Å; F253-L257 HydrophobicContact CE1-CD2 3.96Å; F253-L257 HydrophobicContact CE2-CD2 4.07Å; F253-L257 HydrophobicContact CZ-CD2 3.68Å; F253-L257 WeakPolarHBondContact O-CG 3.2Å; F253-L257 PolarHBondContact O-N 3.36Å; S255-L257 PolarHBondContact O-N 2.98Å; L257-Y259 VanDerWaalsContact C-N 3.33Å; L257-C297 HydrophobicContact CD2-CB 3.9Å; L257-Y557 HydrophobicContact CD1-CD2 4.18Å; L257-Y557 HydrophobicContact CD1-CE2 3.46Å; L257-Y557 VanDerWaalsContact CD1-CE2 3.46Å
258E87.3Confident82.7Confident140 Ų14050.5 Ų50.565%0.65425%0.246SC*.SBendtrans-63.6-40.5177.5-171.3-174.3170.700111.4T256T256-E258 PolarHBondContact O-N 3.24Å
259Y88Confident81.8Confident70 Ų7051.2 Ų51.228%0.27526%0.257SS..SBendtrans-122.9128.9173.4-61.4-87.9000109.6L257 K293L257-Y259 VanDerWaalsContact C-N 3.33Å; Y259-K293 HydrophobicContact CD1-CB 3.92Å; Y259-K293 HydrophobicContact CD1-CD 3.94Å; Y259-K293 HydrophobicContact CD2-CB 3.84Å; Y259-K293 HydrophobicContact CD2-CD 4.42Å; Y259-K293 HydrophobicContact CD2-CG 4.46Å; Y259-K293 HydrophobicContact CE1-CB 4.36Å; Y259-K293 HydrophobicContact CE1-CD 3.57Å; Y259-K293 HydrophobicContact CE2-CB 4.3Å; Y259-K293 HydrophobicContact CE2-CD 4.11Å; Y259-K293 HydrophobicContact CE2-CG 4.44Å; Y259-K293 HydrophobicContact CG-CB 3.63Å; Y259-K293 HydrophobicContact CG-CD 4.35Å; Y259-K293 PolarHBondContact OH-NZ 3.35Å
260S90Very high80.2Confident2 Ų251.2 Ų51.21%0.01426%0.261CS..  trans-130.2145.8-177.3178.10000111.8R241 E262 E263 Y557R241-S260 PolarHBondContact NH2-OG 2.94Å; S260-E262 PolarHBondContact O-N 2.85Å; S260-E262 VanDerWaalsContact O-N 3.16Å; S260-E262 PolarHBondContact OG-N 3.1Å; S260-E262 PolarHBondContact OG-OE1 2.9Å; S260-E263 PolarHBondContact O-N 3.15Å; S260-E263 VanDerWaalsContact O-N 3.1Å; S260-Y557 WeakPolarHBondContact OG-CD2 3.49Å; S260-Y557 WeakPolarHBondContact OG-CE2 3.26Å
261F91.6Very high78.1Confident4 Ų457.7 Ų57.72%0.01829%0.293CS..THydrogen-bonded Turntrans-61.8-17.8172.5-71.3-84.1000113.3E263 I264 F291 A294 L298 L438 Y557 L561 F564F261-E263 PolarHBondContact O-N 2.79Å; F261-I264 HydrophobicContact CD1-CD1 3.9Å; F261-I264 HydrophobicContact CE1-CD1 4.31Å; F261-F291 AromaticContact CE1-CD2 3.78Å; F261-F291 HydrophobicContact CE1-CD2 3.78Å; F261-F291 AromaticContact CE1-CE2 4Å; F261-F291 HydrophobicContact CE1-CE2 4Å; F261-F291 HydrophobicContact CZ-CD2 4.26Å; F261-F291 HydrophobicContact CZ-CE2 4.25Å; F261-A294 HydrophobicContact CD1-CB 4.47Å; F261-A294 HydrophobicContact CD2-CB 4.02Å; F261-A294 HydrophobicContact CE1-CB 4.37Å; F261-A294 HydrophobicContact CE2-CB 3.89Å; F261-A294 HydrophobicContact CG-CB 4.31Å; F261-A294 HydrophobicContact CZ-CB 4.07Å; F261-L298 HydrophobicContact CE2-CD2 4.49Å; F261-L438 HydrophobicContact CE1-CD1 4.08Å; F261-L438 HydrophobicContact CE2-CD1 4.47Å; F261-L438 HydrophobicContact CE2-CD2 3.92Å; F261-L438 HydrophobicContact CZ-CD1 3.62Å; F261-L438 HydrophobicContact CZ-CD2 3.87Å; F261-L438 HydrophobicContact CZ-CG 4.42Å; F261-Y557 HydrophobicContact CD2-CE2 4.43Å; F261-Y557 AromaticContact CD2-CZ 3.96Å; F261-Y557 WeakPolarHBondContact CD2-OH 3.46Å; F261-L561 HydrophobicContact CB-CD1 4.3Å; F261-L561 HydrophobicContact CD1-CD1 3.85Å; F261-L561 HydrophobicContact CD2-CD1 3.78Å; F261-L561 HydrophobicContact CE1-CD1 4.02Å; F261-L561 HydrophobicContact CE2-CD1 3.98Å; F261-L561 HydrophobicContact CG-CD1 3.71Å; F261-L561 HydrophobicContact CZ-CD1 4.1Å; F261-F564 HydrophobicContact CD1-CB 4.3Å; F261-F564 AromaticContact CD1-CD1 3.8Å; F261-F564 HydrophobicContact CD1-CD1 3.8Å; F261-F564 HydrophobicContact CD1-CD2 4.08Å; F261-F564 HydrophobicContact CD1-CE1 4.18Å; F261-F564 HydrophobicContact CD1-CE2 4.42Å; F261-F564 AromaticContact CD1-CG 3.77Å; F261-F564 HydrophobicContact CD1-CG 3.77Å; F261-F564 HydrophobicContact CD1-CZ 4.48Å; F261-F564 AromaticContact CE1-CD1 3.82Å; F261-F564 HydrophobicContact CE1-CD1 3.82Å; F261-F564 AromaticContact CE1-CE1 3.81Å; F261-F564 HydrophobicContact CE1-CE1 3.81Å; F261-F564 HydrophobicContact CE1-CG 4.25Å; F261-F564 HydrophobicContact CE1-CZ 4.2Å
262E88.5Confident75.3Confident50 Ų5061.9 Ų61.923%0.23432%0.321CS..THydrogen-bonded Turntrans-62.7-24.6173-65.6169.8-84.900113.5R241 S260 R556 Y557 A560R241-E262 IonicContact CZ-OE1 3.9Å; R241-E262 IonicContact NH2-OE1 2.81Å; R241-E262 PolarHBondContact NH2-OE1 3.14Å; S260-E262 PolarHBondContact O-N 2.85Å; S260-E262 VanDerWaalsContact O-N 3.16Å; S260-E262 PolarHBondContact OG-N 3.1Å; S260-E262 PolarHBondContact OG-OE1 2.9Å; E262-R556 WeakPolarHBondContact OE2-CD 3.2Å; E262-R556 WeakPolarHBondContact OE2-CG 3.16Å; E262-Y557 HydrophobicContact CG-CD2 4.48Å; E262-A560 HydrophobicContact CB-CB 4.22Å; E262-A560 HydrophobicContact CG-CB 3.67Å
263E84.4Confident72.7Confident50 Ų5067.9 Ų67.923%0.23435%0.352CS..THydrogen-bonded Turntrans-99-19.1-174.6-64.1-178.5-171.600113.2R241 S260 F261 K265R241-E263 VanDerWaalsContact CB-OE1 3.27Å; R241-E263 WeakPolarHBondContact CB-OE1 3.31Å; R241-E263 VanDerWaalsContact CD-OE1 3.25Å; R241-E263 WeakPolarHBondContact CD-OE1 3.5Å; R241-E263 IonicContact CZ-OE1 3.12Å; R241-E263 IonicContact NE-OE1 3.89Å; R241-E263 PolarHBondContact NE-OE1 3.49Å; R241-E263 IonicContact NH2-OE1 3.69Å; S260-E263 PolarHBondContact O-N 3.15Å; S260-E263 VanDerWaalsContact O-N 3.1Å; F261-E263 PolarHBondContact O-N 2.79Å; E263-K265 PolarHBondContact O-N 3.3Å
264I85.4Confident70Confident17 Ų1773 Ų739%0.08739%0.386CS..  trans-73.8113.6-176.7-52.7-179.2000108.4F261 L286 E290 A294 F564F261-I264 HydrophobicContact CD1-CD1 3.9Å; F261-I264 HydrophobicContact CE1-CD1 4.31Å; I264-L286 HydrophobicContact CG2-CD2 4.04Å; I264-E290 HydrophobicContact CD1-CB 4.12Å; I264-E290 HydrophobicContact CG1-CB 4.12Å; I264-A294 HydrophobicContact CD1-CB 3.83Å; I264-F564 HydrophobicContact CB-CD2 4.29Å; I264-F564 HydrophobicContact CB-CE2 4.39Å; I264-F564 HydrophobicContact CD1-CE2 4.34Å; I264-F564 HydrophobicContact CG2-CD2 4.09Å; I264-F564 HydrophobicContact CG2-CE2 3.8Å
265K79.7Confident67.2Low151 Ų15179.1 Ų79.166%0.65742%0.419SS*.  trans-123.3144.7176.8-66.8-178.8-178.5178.90109.8E263 S267E263-K265 PolarHBondContact O-N 3.3Å; K265-S267 PolarHBondContact O-N 2.79Å
266P72.7Confident65.1Low40 Ų4085.8 Ų85.826%0.2645%0.454SS..  trans-52.1124.4169.8-2937.4000111.2I268 P282 L286 L567P266-I268 PolarHBondContact O-N 2.76Å; P266-I268 VanDerWaalsContact O-N 3.13Å; P266-P282 HydrophobicContact CB-CB 4.35Å; P266-P282 WeakPolarHBondContact CB-O 3.28Å; P266-P282 HydrophobicContact CG-CB 4.06Å; P266-P282 WeakPolarHBondContact CG-O 3.25Å; P266-L286 HydrophobicContact CG-CD2 3.95Å; P266-L567 HydrophobicContact CG-CD1 3.76Å
267S65.3Low63.1Low73 Ų7391.4 Ų91.451%0.5148%0.482SS..  trans-74.3100.6173.7-64.20000109.2K265 P269 Y285K265-S267 PolarHBondContact O-N 2.79Å; S267-P269 WeakPolarHBondContact O-CD 3.39Å; S267-Y285 PolarHBondContact N-O 2.85Å; S267-Y285 VanDerWaalsContact O-CB 3.25Å; S267-Y285 WeakPolarHBondContact O-CB 3.38Å; S267-Y285 WeakPolarHBondContact O-CD1 3.45Å
268I57.9Low61.6Low144 Ų14496 Ų9674%0.73850%0.503SS*.  trans-59.5121.7177.2-55.3168.9000108P266 I270P266-I268 PolarHBondContact O-N 2.76Å; P266-I268 VanDerWaalsContact O-N 3.13Å; I268-I270 PolarHBondContact O-N 2.81Å
269P50.8Low60.4Low61 Ų6196.1 Ų96.140%0.39651%0.507SS..  trans-67.1126.1178.526.9-33.2000109.6S267 Q271 Y285S267-P269 WeakPolarHBondContact O-CD 3.39Å; P269-Q271 PolarHBondContact O-N 2.85Å; P269-Y285 HydrophobicContact CB-CE1 4.06Å; P269-Y285 HydrophobicContact CG-CD1 4.19Å; P269-Y285 HydrophobicContact CG-CE1 3.45Å; P269-Y285 VanDerWaalsContact CG-CE1 3.45Å
270I41Very low59.5Low124 Ų12498.7 Ų98.764%0.63652%0.519SS*.SBendtrans-72.5-11.5-178.5-63.6170.8000111.9F230 I268F230-I270 HydrophobicContact CB-CD1 3.62Å; F230-I270 HydrophobicContact CD1-CD1 4.22Å; F230-I270 HydrophobicContact CD2-CD1 3.55Å; F230-I270 HydrophobicContact CD2-CG1 4.3Å; F230-I270 HydrophobicContact CE2-CD1 4.26Å; F230-I270 HydrophobicContact CG-CD1 3.52Å; I268-I270 PolarHBondContact O-N 2.81Å
271Q36.5Very low58.7Low159 Ų159101.2 Ų101.274%0.74353%0.532SS*.  trans-142.8115.9178.9-77173.4-15.500111.5P269 I273P269-Q271 PolarHBondContact O-N 2.85Å; Q271-I273 PolarHBondContact O-N 2.67Å
272T27.3Very low57.9Low134 Ų134104.4 Ų104.482%0.82255%0.554SS**  trans-67.5103.9158.846.60000108.3P274T272-P274 WeakPolarHBondContact O-CD 3.4Å
273I34.4Very low57.2Low127 Ų127102.1 Ų102.165%0.65154%0.543SS*.  trans-93.9104.2152.1-57.4174.8000104.7Q271 N275Q271-I273 PolarHBondContact O-N 2.67Å; I273-N275 VanDerWaalsContact C-N 3.29Å; I273-N275 PolarHBondContact O-N 3.1Å
274P33.4Very low57Low112 Ų112100 Ų10073%0.72753%0.534SS*.  trans-78.484.9-178.932.3-30.1000107.8T272T272-P274 WeakPolarHBondContact O-CD 3.4Å
275N34Very low56.8Low131 Ų131102 Ų10270%0.70154%0.541SS*.  trans-127.7105.2167-78.7-19.3000107.5I273I273-N275 VanDerWaalsContact C-N 3.29Å; I273-N275 PolarHBondContact O-N 3.1Å
276N42.9Very low57.1Low143 Ų14394.9 Ų94.977%0.76551%0.509SS*.SBendtrans97.1123.1178.2-53.6-20.5000115.5E278N276-E278 PolarHBondContact O-N 2.8Å
277D46.2Very low57.9Low178 Ų17893.3 Ų93.395%0.95250%0.499SS*.  trans-61.928.8-175.6-67.5-49.6000116.5
278E56.8Low59.1Low107 Ų10789.8 Ų89.850%0.548%0.475SS..  trans-91.8112.2-178.4-126.5-179153.300110.7N276 K280 R411N276-E278 PolarHBondContact O-N 2.8Å; E278-K280 PolarHBondContact O-N 2.99Å; E278-R411 VanDerWaalsContact CD-NH1 3.25Å; E278-R411 IonicContact OE1-CZ 3.08Å; E278-R411 IonicContact OE1-NH1 2.66Å; E278-R411 PolarHBondContact OE1-NH1 3.45Å
279I61.8Low60.6Low142 Ų14285 Ų8573%0.72845%0.451SS*.  trans-62110.4173.9-59.7173.1000108.4R411I279-R411 PolarHBondContact O-NH2 2.9Å
280K68.4Low62.4Low123 Ų12383.6 Ų83.654%0.53544%0.439SS..  trans-88.2125.7174.4-68.9-177.7-178.3177.60110.3E278 D284 Y285E278-K280 PolarHBondContact O-N 2.99Å; K280-D284 WeakPolarHBondContact CA-OD2 3.3Å; K280-D284 HydrophobicContact CB-CB 4.25Å; K280-Y285 HydrophobicContact CB-CE2 4.11Å; K280-Y285 WeakPolarHBondContact CB-OH 3.43Å; K280-Y285 HydrophobicContact CD-CE1 4.49Å; K280-Y285 WeakPolarHBondContact CD-OH 3.4Å
281L74.1Confident64.9Low55 Ų5577.7 Ų77.729%0.28841%0.409SS..  trans-89.1162.5177.8-67178.3000110.7G283 D284 Y285 G570L281-G283 PolarHBondContact O-N 2.86Å; L281-G283 VanDerWaalsContact O-N 3.12Å; L281-D284 PolarHBondContact N-OD2 2.97Å; L281-D284 WeakPolarHBondContact O-CB 3.35Å; L281-D284 PolarHBondContact O-N 2.79Å; L281-Y285 WeakPolarHBondContact O-CD2 3.36Å; L281-G570 VanDerWaalsContact CD1-O 3.25Å; L281-G570 WeakPolarHBondContact CD1-O 3.34Å
282P73.8Confident67.6Low72 Ų7270.2 Ų70.247%0.46837%0.374SS..G310 helixtrans-57.1-30177-23.632.9000113.4P266 D284 Y285 L567P266-P282 HydrophobicContact CB-CB 4.35Å; P266-P282 WeakPolarHBondContact CB-O 3.28Å; P266-P282 HydrophobicContact CG-CB 4.06Å; P266-P282 WeakPolarHBondContact CG-O 3.25Å; P282-D284 PolarHBondContact O-N 3.41Å; P282-Y285 PolarHBondContact O-N 3.5Å; P282-L567 HydrophobicContact CB-CD2 3.98Å
283G74.9Confident70.7Confident1 Ų166.5 Ų66.51%0.0135%0.346CS..G310 helixtrans-59.3-25.4172.400000113.8L281 Y285 L286L281-G283 PolarHBondContact O-N 2.86Å; L281-G283 VanDerWaalsContact O-N 3.12Å; G283-Y285 PolarHBondContact O-N 3.4Å; G283-Y285 VanDerWaalsContact O-N 3.15Å; G283-L286 PolarHBondContact O-N 2.95Å
284D78.9Confident73.5Confident6 Ų660.5 Ų60.53%0.03232%0.316CS..G310 helixtrans-65.6-17.1178.2-77.8-65.5000113.8K280 L281 P282 S405 G407 R411 L571K280-D284 WeakPolarHBondContact CA-OD2 3.3Å; K280-D284 HydrophobicContact CB-CB 4.25Å; L281-D284 PolarHBondContact N-OD2 2.97Å; L281-D284 WeakPolarHBondContact O-CB 3.35Å; L281-D284 PolarHBondContact O-N 2.79Å; P282-D284 PolarHBondContact O-N 3.41Å; D284-S405 WeakPolarHBondContact O-CB 3.43Å; D284-S405 PolarHBondContact O-OG 2.97Å; D284-G407 WeakPolarHBondContact OD1-CA 3.37Å; D284-R411 IonicContact OD1-CZ 2.74Å; D284-R411 IonicContact OD1-NE 3.93Å; D284-R411 PolarHBondContact OD1-NE 2.85Å; D284-R411 IonicContact OD1-NH2 2.7Å; D284-R411 PolarHBondContact OD1-NH2 3.29Å; D284-R411 IonicContact OD2-CZ 3.65Å; D284-R411 IonicContact OD2-NE 3.86Å; D284-R411 IonicContact OD2-NH2 3.86Å; D284-R411 PolarHBondContact OD2-NH2 3.27Å; D284-L571 WeakPolarHBondContact OD1-CD1 3.33Å
285Y81.8Confident76.5Confident60 Ų6055.2 Ų55.224%0.23528%0.281CS..G310 helixtrans-110.613.4-172.4-54.9-78000113.4S267 P269 K280 L281 P282 G283S267-Y285 PolarHBondContact N-O 2.85Å; S267-Y285 VanDerWaalsContact O-CB 3.25Å; S267-Y285 WeakPolarHBondContact O-CB 3.38Å; S267-Y285 WeakPolarHBondContact O-CD1 3.45Å; P269-Y285 HydrophobicContact CB-CE1 4.06Å; P269-Y285 HydrophobicContact CG-CD1 4.19Å; P269-Y285 HydrophobicContact CG-CE1 3.45Å; P269-Y285 VanDerWaalsContact CG-CE1 3.45Å; K280-Y285 HydrophobicContact CB-CE2 4.11Å; K280-Y285 WeakPolarHBondContact CB-OH 3.43Å; K280-Y285 HydrophobicContact CD-CE1 4.49Å; K280-Y285 WeakPolarHBondContact CD-OH 3.4Å; L281-Y285 WeakPolarHBondContact O-CD2 3.36Å; P282-Y285 PolarHBondContact O-N 3.5Å; G283-Y285 PolarHBondContact O-N 3.4Å; G283-Y285 VanDerWaalsContact O-N 3.15Å
286L87.2Confident79.3Confident0 Ų052.2 Ų52.20%026%0.262CS..  trans-78.8125.1175.8-65.3171.4000110I264 P266 G283 A288 S405 L406 F564 L567 I568I264-L286 HydrophobicContact CG2-CD2 4.04Å; P266-L286 HydrophobicContact CG-CD2 3.95Å; G283-L286 PolarHBondContact O-N 2.95Å; L286-A288 PolarHBondContact O-N 3.49Å; L286-S405 CarbonylContact O-C 3.46Å; L286-S405 WeakPolarHBondContact O-CA 3.18Å; L286-S405 WeakPolarHBondContact O-CB 3.43Å; L286-L406 HydrophobicContact CB-CD1 4.15Å; L286-L406 PolarHBondContact O-N 2.93Å; L286-F564 HydrophobicContact CB-CE2 4.37Å; L286-F564 HydrophobicContact CD1-CD2 4.21Å; L286-F564 HydrophobicContact CD1-CE2 3.77Å; L286-F564 HydrophobicContact CD1-CZ 4.19Å; L286-F564 HydrophobicContact CD2-CD2 4.19Å; L286-F564 HydrophobicContact CD2-CE2 3.97Å; L286-F564 HydrophobicContact CG-CE2 4.26Å; L286-L567 HydrophobicContact CD1-CB 3.9Å; L286-L567 HydrophobicContact CD1-CD1 4.29Å; L286-L567 HydrophobicContact CD2-CD1 4.12Å; L286-I568 HydrophobicContact CD1-CD1 3.43Å; L286-I568 VanDerWaalsContact CD1-CD1 3.43Å; L286-I568 HydrophobicContact CD1-CG1 4.02Å
287S89.2Confident81.7Confident7 Ų746 Ų465%0.04923%0.229CC..BIsolated β-bridgetrans-64.9125.9-179.7178.10000111.1L289 E290 F291 A402S287-L289 VanDerWaalsContact C-N 3.29Å; S287-L289 PolarHBondContact O-N 3.49Å; S287-E290 WeakPolarHBondContact CB-OE2 3.3Å; S287-E290 PolarHBondContact OG-N 2.9Å; S287-F291 WeakPolarHBondContact O-CB 3.01Å; S287-F291 PolarHBondContact O-N 2.9Å; S287-F291 VanDerWaalsContact O-N 3.11Å; S287-A402 PolarHBondContact OG-O 3.46Å
288A89.9Confident83.8Confident0 Ų037.6 Ų37.60%018%0.184CC..Hα-helixtrans-64.6-36.717800000111.7L286 F291 V292 I342 V346 L404 L406 L409L286-A288 PolarHBondContact O-N 3.49Å; A288-F291 WeakPolarHBondContact O-CB 3.35Å; A288-V292 WeakPolarHBondContact O-CG2 3.38Å; A288-V292 PolarHBondContact O-N 3.42Å; A288-I342 HydrophobicContact CB-CG2 4.3Å; A288-V346 HydrophobicContact CB-CG2 3.72Å; A288-L404 PolarHBondContact N-O 3.24Å; A288-L406 HydrophobicContact CB-CD2 3.78Å; A288-L406 HydrophobicContact CB-CG 4.25Å; A288-L409 HydrophobicContact CB-CD1 3.71Å
289L88.4Confident85.5Confident44 Ų4432.7 Ų32.723%0.2316%0.162CC..Hα-helixtrans-73.2-40.2-179.1-174.661.8000112.1S287 F291 V292 K293S287-L289 VanDerWaalsContact C-N 3.29Å; S287-L289 PolarHBondContact O-N 3.49Å; L289-F291 VanDerWaalsContact C-N 3.31Å; L289-V292 PolarHBondContact O-N 3.28Å; L289-K293 HydrophobicContact CD1-CG 4.45Å; L289-K293 HydrophobicContact CG-CD 4.13Å; L289-K293 WeakPolarHBondContact O-CB 3.5Å; L289-K293 VanDerWaalsContact O-CG 3.25Å; L289-K293 WeakPolarHBondContact O-CG 3.45Å; L289-K293 PolarHBondContact O-N 3.48Å
290E89.5Confident86.6Confident31 Ų3130.9 Ų30.915%0.14515%0.15CC..Hα-helixtrans-62.5-42174.1-66.4-175.514100111.2H234 I264 S287 V292 K293 A294H234-E290 IonicContact CE1-OE1 3.79Å; H234-E290 PolarHBondContact CE1-OE1 3.26Å; H234-E290 IonicContact ND1-OE1 3.6Å; H234-E290 PolarHBondContact ND1-OE1 3.33Å; I264-E290 HydrophobicContact CD1-CB 4.12Å; I264-E290 HydrophobicContact CG1-CB 4.12Å; S287-E290 WeakPolarHBondContact CB-OE2 3.3Å; S287-E290 PolarHBondContact OG-N 2.9Å; E290-V292 PolarHBondContact O-N 2.91Å; E290-K293 PolarHBondContact O-N 3.26Å; E290-A294 WeakPolarHBondContact O-CB 3.32Å; E290-A294 PolarHBondContact O-N 3.04Å
291F93.8Very high87.5Confident0 Ų025.9 Ų25.90%013%0.128CC..Hα-helixtrans-57-48.5174.4172.5-114000112.4F261 S287 A288 L289 S295 I342 L406 L434 L438 F564F261-F291 AromaticContact CE1-CD2 3.78Å; F261-F291 HydrophobicContact CE1-CD2 3.78Å; F261-F291 AromaticContact CE1-CE2 4Å; F261-F291 HydrophobicContact CE1-CE2 4Å; F261-F291 HydrophobicContact CZ-CD2 4.26Å; F261-F291 HydrophobicContact CZ-CE2 4.25Å; S287-F291 WeakPolarHBondContact O-CB 3.01Å; S287-F291 PolarHBondContact O-N 2.9Å; S287-F291 VanDerWaalsContact O-N 3.11Å; A288-F291 WeakPolarHBondContact O-CB 3.35Å; L289-F291 VanDerWaalsContact C-N 3.31Å; F291-S295 VanDerWaalsContact O-CB 3.29Å; F291-S295 WeakPolarHBondContact O-CB 3.32Å; F291-S295 PolarHBondContact O-N 3.36Å; F291-S295 PolarHBondContact O-OG 3.04Å; F291-I342 HydrophobicContact CD1-CD1 4.05Å; F291-I342 HydrophobicContact CE1-CD1 3.64Å; F291-L406 HydrophobicContact CB-CD1 3.93Å; F291-L406 HydrophobicContact CD1-CD1 4.09Å; F291-L406 HydrophobicContact CD1-CD2 3.94Å; F291-L406 HydrophobicContact CD2-CD1 4.4Å; F291-L406 HydrophobicContact CG-CD1 3.88Å; F291-L406 HydrophobicContact CG-CD2 4.45Å; F291-L434 HydrophobicContact CE1-CD1 4.1Å; F291-L434 HydrophobicContact CZ-CB 4.09Å; F291-L434 HydrophobicContact CZ-CD1 4.41Å; F291-L438 HydrophobicContact CE2-CD1 3.59Å; F291-L438 HydrophobicContact CZ-CD1 4.07Å; F291-F564 HydrophobicContact CB-CZ 4.28Å; F291-F564 AromaticContact CD2-CE1 3.5Å; F291-F564 HydrophobicContact CD2-CE1 3.5Å; F291-F564 VanDerWaalsContact CD2-CE1 3.5Å; F291-F564 HydrophobicContact CD2-CE2 4.4Å; F291-F564 AromaticContact CD2-CZ 3.31Å; F291-F564 HydrophobicContact CD2-CZ 3.31Å; F291-F564 AromaticContact CE2-CE1 3.6Å; F291-F564 HydrophobicContact CE2-CE1 3.6Å; F291-F564 AromaticContact CE2-CZ 3.91Å; F291-F564 HydrophobicContact CE2-CZ 3.91Å; F291-F564 HydrophobicContact CG-CZ 4.08Å
292V93.6Very high87.9Confident1 Ų124.2 Ų24.21%0.00612%0.119CC..Hα-helixtrans-62.7-46.5178.1169.30000111.1A288 L289 E290 S295 K296 L339 I342 E343A288-V292 WeakPolarHBondContact O-CG2 3.38Å; A288-V292 PolarHBondContact O-N 3.42Å; L289-V292 PolarHBondContact O-N 3.28Å; E290-V292 PolarHBondContact O-N 2.91Å; V292-S295 PolarHBondContact O-N 2.83Å; V292-K296 HydrophobicContact CG1-CD 4Å; V292-K296 HydrophobicContact CG1-CG 4.3Å; V292-K296 WeakPolarHBondContact O-CB 3.48Å; V292-K296 WeakPolarHBondContact O-CG 3.33Å; V292-K296 PolarHBondContact O-N 3.44Å; V292-L339 HydrophobicContact CB-CD2 4.34Å; V292-L339 HydrophobicContact CG1-CB 4.34Å; V292-L339 HydrophobicContact CG1-CD2 4.12Å; V292-L339 HydrophobicContact CG2-CD2 4.25Å; V292-I342 HydrophobicContact CG2-CB 3.91Å; V292-I342 HydrophobicContact CG2-CG2 3.64Å; V292-E343 HydrophobicContact CB-CG 4.44Å; V292-E343 HydrophobicContact CG1-CG 3.78Å; V292-E343 WeakPolarHBondContact CG1-OE1 3.29Å; V292-E343 HydrophobicContact CG2-CG 4.24Å
293K92Very high88.1Confident57 Ų5722.4 Ų22.425%0.24811%0.106CC..Hα-helixtrans-62.3-45.5-179-73.3172.3169.5-168.50112.3Y259 L289 E290 K296 C297Y259-K293 HydrophobicContact CD1-CB 3.92Å; Y259-K293 HydrophobicContact CD1-CD 3.94Å; Y259-K293 HydrophobicContact CD2-CB 3.84Å; Y259-K293 HydrophobicContact CD2-CD 4.42Å; Y259-K293 HydrophobicContact CD2-CG 4.46Å; Y259-K293 HydrophobicContact CE1-CB 4.36Å; Y259-K293 HydrophobicContact CE1-CD 3.57Å; Y259-K293 HydrophobicContact CE2-CB 4.3Å; Y259-K293 HydrophobicContact CE2-CD 4.11Å; Y259-K293 HydrophobicContact CE2-CG 4.44Å; Y259-K293 HydrophobicContact CG-CB 3.63Å; Y259-K293 HydrophobicContact CG-CD 4.35Å; Y259-K293 PolarHBondContact OH-NZ 3.35Å; L289-K293 HydrophobicContact CD1-CG 4.45Å; L289-K293 HydrophobicContact CG-CD 4.13Å; L289-K293 WeakPolarHBondContact O-CB 3.5Å; L289-K293 VanDerWaalsContact O-CG 3.25Å; L289-K293 WeakPolarHBondContact O-CG 3.45Å; L289-K293 PolarHBondContact O-N 3.48Å; E290-K293 PolarHBondContact O-N 3.26Å; K293-K296 PolarHBondContact O-N 3.46Å; K293-C297 PolarHBondContact O-N 2.87Å; K293-C297 PolarHBondContact O-SG 3.27Å
294A94Very high88.2Confident1 Ų126.6 Ų26.61%0.00812%0.121CC..Hα-helixtrans-64-41.5176.400000111.8F261 I264 E290 C297 L298F261-A294 HydrophobicContact CD1-CB 4.47Å; F261-A294 HydrophobicContact CD2-CB 4.02Å; F261-A294 HydrophobicContact CE1-CB 4.37Å; F261-A294 HydrophobicContact CE2-CB 3.89Å; F261-A294 HydrophobicContact CG-CB 4.31Å; F261-A294 HydrophobicContact CZ-CB 4.07Å; I264-A294 HydrophobicContact CD1-CB 3.83Å; E290-A294 WeakPolarHBondContact O-CB 3.32Å; E290-A294 PolarHBondContact O-N 3.04Å; A294-C297 PolarHBondContact O-N 3.42Å; A294-L298 PolarHBondContact O-N 3.02Å; A294-L298 VanDerWaalsContact O-N 3.16Å
295S94.8Very high88.1Confident0 Ų026.9 Ų26.90%012%0.123CC..Hα-helixtrans-63.7-41.6176.1-600000112.3F291 V292 L298 L299 L339F291-S295 VanDerWaalsContact O-CB 3.29Å; F291-S295 WeakPolarHBondContact O-CB 3.32Å; F291-S295 PolarHBondContact O-N 3.36Å; F291-S295 PolarHBondContact O-OG 3.04Å; V292-S295 PolarHBondContact O-N 2.83Å; S295-L298 PolarHBondContact O-N 3.02Å; S295-L299 PolarHBondContact O-N 3.31Å; S295-L339 VanDerWaalsContact CB-CD2 3.48Å
296K93.6Very high87.5Confident68 Ų6824.6 Ų24.630%0.29612%0.115SC..Hα-helixtrans-60.6-43.6174.4-77.2-179.4176.5177.40111.6V292 K293 L298 L299 L339 E343V292-K296 HydrophobicContact CG1-CD 4Å; V292-K296 HydrophobicContact CG1-CG 4.3Å; V292-K296 WeakPolarHBondContact O-CB 3.48Å; V292-K296 WeakPolarHBondContact O-CG 3.33Å; V292-K296 PolarHBondContact O-N 3.44Å; K293-K296 PolarHBondContact O-N 3.46Å; K296-L298 VanDerWaalsContact C-N 3.26Å; K296-L298 PolarHBondContact O-N 3.19Å; K296-L299 WeakPolarHBondContact O-CB 3.46Å; K296-L299 PolarHBondContact O-N 3.24Å; K296-L299 VanDerWaalsContact O-N 3.13Å; K296-L339 HydrophobicContact CG-CD1 3.85Å; K296-E343 IonicContact NZ-OE1 2.8Å; K296-E343 PolarHBondContact NZ-OE1 3.33Å; K296-E343 IonicContact NZ-OE2 3.28Å; K296-E343 PolarHBondContact NZ-OE2 2.93Å
297C92.6Very high86.3Confident13 Ų1330 Ų309%0.08814%0.14CC..Hα-helixtrans-60.3-38.2177.4-670000111.7L257 K293 A294 L299 H300L257-C297 HydrophobicContact CD2-CB 3.9Å; K293-C297 PolarHBondContact O-N 2.87Å; K293-C297 PolarHBondContact O-SG 3.27Å; A294-C297 PolarHBondContact O-N 3.42Å; C297-L299 VanDerWaalsContact C-N 3.32Å; C297-L299 PolarHBondContact O-N 3.13Å; C297-H300 WeakPolarHBondContact O-CB 3.26Å; C297-H300 PolarHBondContact O-CD2 3.16Å; C297-H300 PolarHBondContact O-N 3.44Å
298L91.8Very high84.8Confident1 Ų129.8 Ų29.81%0.00514%0.138CC..Hα-helixtrans-69.8-25.7178.4-173.258.9000113.2F253 F261 A294 S295 K296 H300 F301 W437 L438 V441 Y557F253-L298 HydrophobicContact CE1-CD1 4.11Å; F261-L298 HydrophobicContact CE2-CD2 4.49Å; A294-L298 PolarHBondContact O-N 3.02Å; A294-L298 VanDerWaalsContact O-N 3.16Å; S295-L298 PolarHBondContact O-N 3.02Å; K296-L298 VanDerWaalsContact C-N 3.26Å; K296-L298 PolarHBondContact O-N 3.19Å; L298-H300 PolarHBondContact O-N 3.34Å; L298-F301 HydrophobicContact CD1-CB 4.45Å; L298-F301 WeakPolarHBondContact O-CB 3.4Å; L298-F301 PolarHBondContact O-N 3.24Å; L298-W437 HydrophobicContact CB-CH2 4.2Å; L298-W437 HydrophobicContact CD2-CH2 3.83Å; L298-W437 HydrophobicContact CD2-CZ3 4.15Å; L298-W437 HydrophobicContact CG-CH2 3.85Å; L298-L438 HydrophobicContact CD2-CD2 3.49Å; L298-L438 VanDerWaalsContact CD2-CD2 3.49Å; L298-V441 HydrophobicContact CD1-CG1 4.24Å; L298-V441 HydrophobicContact CD2-CB 4.4Å; L298-V441 HydrophobicContact CD2-CG1 3.92Å; L298-V441 HydrophobicContact CD2-CG2 4.39Å; L298-V441 HydrophobicContact CG-CG1 4.48Å; L298-Y557 HydrophobicContact CD1-CE1 4.27Å
299L90.8Very high83Confident4 Ų430.2 Ų30.22%0.02114%0.14CC..Hα-helixtrans-61.9-22.7174.5-68.4177.3000113.2S295 K296 C297 F301 L302 D303 L335 L336 L339 W437S295-L299 PolarHBondContact O-N 3.31Å; K296-L299 WeakPolarHBondContact O-CB 3.46Å; K296-L299 PolarHBondContact O-N 3.24Å; K296-L299 VanDerWaalsContact O-N 3.13Å; C297-L299 VanDerWaalsContact C-N 3.32Å; C297-L299 PolarHBondContact O-N 3.13Å; L299-F301 PolarHBondContact O-N 3.48Å; L299-L302 HydrophobicContact CD2-CD1 3.91Å; L299-L302 WeakPolarHBondContact O-CB 3.45Å; L299-L302 PolarHBondContact O-N 3.26Å; L299-D303 PolarHBondContact O-N 2.7Å; L299-L335 HydrophobicContact CD2-CB 3.91Å; L299-L335 HydrophobicContact CD2-CD1 3.59Å; L299-L335 HydrophobicContact CD2-CG 4.4Å; L299-L336 HydrophobicContact CD1-CD2 3.55Å; L299-L336 HydrophobicContact CD1-CG 3.93Å; L299-L339 HydrophobicContact CD1-CD1 3.71Å; L299-W437 HydrophobicContact CD2-CH2 3.83Å; L299-W437 HydrophobicContact CD2-CZ2 4.04Å; L299-W437 HydrophobicContact CD2-CZ3 4.47Å; L299-W437 HydrophobicContact CG-CH2 4.47Å
300H86.1Confident81.1Confident104 Ų10433.1 Ų33.148%0.48115%0.153SC..Hα-helixtrans-61.9-22.3172.6-69.3-59.4000113F253 C297 L298 L302 D303 R304F253-H300 HydrophobicContact CE2-CB 4.12Å; C297-H300 WeakPolarHBondContact O-CB 3.26Å; C297-H300 PolarHBondContact O-CD2 3.16Å; C297-H300 PolarHBondContact O-N 3.44Å; L298-H300 PolarHBondContact O-N 3.34Å; H300-L302 VanDerWaalsContact C-N 3.32Å; H300-D303 IonicContact ND1-OD2 2.97Å; H300-D303 PolarHBondContact O-N 3.48Å; H300-R304 WeakPolarHBondContact O-CG 3.39Å; H300-R304 PolarHBondContact O-N 3.24Å
301F86Confident79.2Confident19 Ų1938.4 Ų38.48%0.08318%0.177CC..Hα-helixtrans-61.1-42170.6-179.8-95.3000111.4F253 L298 L299 D303 R304 L305 F444 L506 L510F253-F301 HydrophobicContact CD1-CD2 4.46Å; F253-F301 HydrophobicContact CE1-CB 3.96Å; F253-F301 HydrophobicContact CE1-CD2 4.23Å; F253-F301 HydrophobicContact CE2-CB 4.45Å; F253-F301 HydrophobicContact CZ-CB 3.7Å; L298-F301 HydrophobicContact CD1-CB 4.45Å; L298-F301 WeakPolarHBondContact O-CB 3.4Å; L298-F301 PolarHBondContact O-N 3.24Å; L299-F301 PolarHBondContact O-N 3.48Å; F301-D303 VanDerWaalsContact C-N 3.33Å; F301-D303 PolarHBondContact O-N 2.79Å; F301-R304 PolarHBondContact O-N 2.99Å; F301-L305 HydrophobicContact CD1-CD1 3.99Å; F301-L305 HydrophobicContact CD1-CG 4.47Å; F301-L305 HydrophobicContact CE1-CD1 3.43Å; F301-L305 VanDerWaalsContact CE1-CD1 3.43Å; F301-L305 HydrophobicContact CE1-CG 4.07Å; F301-L305 HydrophobicContact CZ-CD1 4.06Å; F301-L305 HydrophobicContact CZ-CG 4.36Å; F301-L305 PolarHBondContact O-N 3.01Å; F301-F444 HydrophobicContact CE1-CE1 4.33Å; F301-F444 AromaticContact CZ-CE1 3.8Å; F301-F444 HydrophobicContact CZ-CE1 3.8Å; F301-L506 HydrophobicContact CE2-CD1 4.22Å; F301-L506 HydrophobicContact CZ-CD1 4.16Å; F301-L510 HydrophobicContact CD2-CD2 3.76Å; F301-L510 HydrophobicContact CE2-CD1 4.35Å; F301-L510 HydrophobicContact CE2-CD2 3.66Å; F301-L510 HydrophobicContact CE2-CG 4.43Å
302L82.7Confident77Confident19 Ų1942.6 Ų42.610%0.09920%0.2CC..Hα-helixtrans-66.7-36177.2-62.1178.4000111.7L299 H300 L305 N306 R332 L335 W437L299-L302 HydrophobicContact CD2-CD1 3.91Å; L299-L302 WeakPolarHBondContact O-CB 3.45Å; L299-L302 PolarHBondContact O-N 3.26Å; H300-L302 VanDerWaalsContact C-N 3.32Å; L302-L305 PolarHBondContact O-N 2.91Å; L302-N306 WeakPolarHBondContact O-CB 3.4Å; L302-N306 PolarHBondContact O-N 3.25Å; L302-R332 HydrophobicContact CD1-CB 4.49Å; L302-L335 HydrophobicContact CD1-CD1 4.02Å; L302-W437 HydrophobicContact CD1-CZ2 4.38Å
303D77.7Confident74.5Confident34 Ų3445.8 Ų45.818%0.18222%0.221CC..Hα-helixtrans-64.3-43.5176.5-63.9-29.1000111.1L299 H300 F301 L305 N306 H307 R332L299-D303 PolarHBondContact O-N 2.7Å; H300-D303 IonicContact ND1-OD2 2.97Å; H300-D303 PolarHBondContact O-N 3.48Å; F301-D303 VanDerWaalsContact C-N 3.33Å; F301-D303 PolarHBondContact O-N 2.79Å; D303-L305 PolarHBondContact O-N 3.04Å; D303-N306 WeakPolarHBondContact O-CB 3.34Å; D303-N306 PolarHBondContact O-N 2.69Å; D303-H307 PolarHBondContact O-CD2 2.93Å; D303-H307 PolarHBondContact O-N 3.04Å; D303-R332 IonicContact OD1-CZ 3.59Å; D303-R332 IonicContact OD1-NE 3.1Å; D303-R332 IonicContact OD1-NH1 2.68Å; D303-R332 PolarHBondContact OD1-NH1 2.66Å; D303-R332 IonicContact OD1-NH2 3.26Å; D303-R332 IonicContact OD2-CZ 3.74Å; D303-R332 IonicContact OD2-NH1 2.97Å; D303-R332 PolarHBondContact OD2-NH1 2.92Å; D303-R332 IonicContact OD2-NH2 3.64Å
304R78Confident72.1Confident89 Ų8948.4 Ų48.434%0.33624%0.242SC..Hα-helixtrans-61.3-42.8175.3-73.8-177.9174.3-101.2-6.8112.2H300 F301 N306 T308 L509 M512H300-R304 WeakPolarHBondContact O-CG 3.39Å; H300-R304 PolarHBondContact O-N 3.24Å; F301-R304 PolarHBondContact O-N 2.99Å; R304-N306 PolarHBondContact O-N 3.44Å; R304-T308 WeakPolarHBondContact O-CG2 3.48Å; R304-L509 PolarHBondContact NH1-O 2.66Å; R304-M512 VanDerWaalsContact CZ-SD 3.52Å; R304-M512 PolarHBondContact NH2-SD 3.34Å
305L76.9Confident70Confident13 Ų1354.7 Ų54.77%0.06828%0.275CS..Hα-helixtrans-61.7-32.9172.2-74.9179.2000112.2F301 L302 D303 T308 L500 P501 L506F301-L305 HydrophobicContact CD1-CD1 3.99Å; F301-L305 HydrophobicContact CD1-CG 4.47Å; F301-L305 HydrophobicContact CE1-CD1 3.43Å; F301-L305 VanDerWaalsContact CE1-CD1 3.43Å; F301-L305 HydrophobicContact CE1-CG 4.07Å; F301-L305 HydrophobicContact CZ-CD1 4.06Å; F301-L305 HydrophobicContact CZ-CG 4.36Å; F301-L305 PolarHBondContact O-N 3.01Å; L302-L305 PolarHBondContact O-N 2.91Å; D303-L305 PolarHBondContact O-N 3.04Å; L305-T308 WeakPolarHBondContact O-CB 3.48Å; L305-T308 WeakPolarHBondContact O-CG2 3.49Å; L305-T308 PolarHBondContact O-OG1 2.93Å; L305-L500 HydrophobicContact CD1-CD2 4.3Å; L305-L500 HydrophobicContact CD2-CD2 4.36Å; L305-P501 HydrophobicContact CD2-CG 4.48Å; L305-L506 HydrophobicContact CD2-CD1 3.66Å
306N69.2Low67.7Low11 Ų1161.1 Ų61.16%0.05931%0.309CS..Hα-helixtrans-76.5-34.3-176.6-15618.3000113.4L302 D303 R304 T308 N309 Y325 Q329L302-N306 WeakPolarHBondContact O-CB 3.4Å; L302-N306 PolarHBondContact O-N 3.25Å; D303-N306 WeakPolarHBondContact O-CB 3.34Å; D303-N306 PolarHBondContact O-N 2.69Å; R304-N306 PolarHBondContact O-N 3.44Å; N306-T308 PolarHBondContact O-N 3Å; N306-N309 WeakPolarHBondContact O-CB 3.43Å; N306-N309 PolarHBondContact O-N 3.03Å; N306-N309 VanDerWaalsContact O-N 3.13Å; N306-Y325 VanDerWaalsContact ND2-CD2 3.29Å; N306-Y325 WeakPolarHBondContact ND2-CD2 3.43Å; N306-Y325 WeakPolarHBondContact ND2-CE2 3.39Å; N306-Y325 WeakPolarHBondContact OD1-CD2 3.42Å; N306-Q329 PolarHBondContact ND2-NE2 2.81Å; N306-Q329 VanDerWaalsContact ND2-NE2 3.1Å
307H62.6Low65.8Low114 Ų11462.8 Ų62.853%0.52832%0.321SS..Hα-helixtrans-60-28.2174.5-74.9-63.6000112.8D303 N309 Q310 H311D303-H307 PolarHBondContact O-CD2 2.93Å; D303-H307 PolarHBondContact O-N 3.04Å; H307-N309 VanDerWaalsContact C-N 3.31Å; H307-N309 PolarHBondContact O-N 3.14Å; H307-Q310 PolarHBondContact O-N 3.47Å; H307-H311 PolarHBondContact O-N 3.4Å
308T56.3Low64.1Low2 Ų267 Ų671%0.01235%0.348CS..Hα-helixtrans-62.5-37.6176.177.10000112.8R304 L305 N306 Q310 H311 N312 Y505 L509R304-T308 WeakPolarHBondContact O-CG2 3.48Å; L305-T308 WeakPolarHBondContact O-CB 3.48Å; L305-T308 WeakPolarHBondContact O-CG2 3.49Å; L305-T308 PolarHBondContact O-OG1 2.93Å; N306-T308 PolarHBondContact O-N 3Å; T308-Q310 VanDerWaalsContact C-N 3.3Å; T308-Q310 PolarHBondContact O-N 3.29Å; T308-H311 PolarHBondContact O-N 2.94Å; T308-N312 PolarHBondContact O-N 2.98Å; T308-N312 VanDerWaalsContact O-N 3.11Å; T308-Y505 HydrophobicContact CG2-CD1 4.2Å; T308-Y505 HydrophobicContact CG2-CE1 3.46Å; T308-Y505 VanDerWaalsContact CG2-CE1 3.46Å; T308-L509 HydrophobicContact CG2-CD1 3.31Å; T308-L509 HydrophobicContact CG2-CD2 4.39Å; T308-L509 HydrophobicContact CG2-CG 4.45Å
309N52.3Low62.5Low10 Ų1069.9 Ų69.95%0.05337%0.369CS..Hα-helixtrans-68.7-34-179.5-71.8-42.4000110.8N306 H307 N312 C313 T321 T324N306-N309 WeakPolarHBondContact O-CB 3.43Å; N306-N309 PolarHBondContact O-N 3.03Å; N306-N309 VanDerWaalsContact O-N 3.13Å; H307-N309 VanDerWaalsContact C-N 3.31Å; H307-N309 PolarHBondContact O-N 3.14Å; N309-N312 PolarHBondContact O-N 2.89Å; N309-C313 PolarHBondContact O-N 3.18Å; N309-C313 VanDerWaalsContact O-N 3.14Å; N309-C313 PolarHBondContact O-SG 3.11Å; N309-T321 HydrophobicContact CB-CG2 3.79Å; N309-T321 WeakPolarHBondContact O-CG2 3.4Å; N309-T324 VanDerWaalsContact ND2-CG2 3.31Å; N309-T324 WeakPolarHBondContact ND2-CG2 3.31Å
310Q49.5Very low60.9Low104 Ų10472.9 Ų72.949%0.48639%0.388SS..Hα-helixtrans-68.8-34.8176.7-68.4-179.6-10.100112.9H307 T308 C313H307-Q310 PolarHBondContact O-N 3.47Å; T308-Q310 VanDerWaalsContact C-N 3.3Å; T308-Q310 PolarHBondContact O-N 3.29Å; Q310-C313 VanDerWaalsContact O-CB 3.26Å; Q310-C313 WeakPolarHBondContact O-CB 3.11Å; Q310-C313 PolarHBondContact O-N 3.45Å
311H49.7Very low59.5Low143 Ų14368.7 Ų68.766%0.66237%0.369SS*.Hα-helixtrans-73.2-33.4174.2-94.9-76.9000112.9H307 T308 C313 T314H307-H311 PolarHBondContact O-N 3.4Å; T308-H311 PolarHBondContact O-N 2.94Å; H311-C313 VanDerWaalsContact C-N 3.25Å; H311-C313 PolarHBondContact O-N 3.38Å; H311-T314 PolarHBondContact O-OG1 2.91Å
312N47Very low58.6Low88 Ų8871 Ų7147%0.47139%0.387SS..Hα-helixtrans-72.7-15.1173.6-77.3-21.3000113.6T308 N309 T314 L315T308-N312 PolarHBondContact O-N 2.98Å; T308-N312 VanDerWaalsContact O-N 3.11Å; N309-N312 PolarHBondContact O-N 2.89Å; N312-T314 PolarHBondContact O-N 3.44Å; N312-T314 VanDerWaalsContact O-N 3.08Å; N312-L315 PolarHBondContact O-N 3.48Å
313C40.2Very low58Low68 Ų6877.2 Ų77.246%0.45941%0.409SS..THydrogen-bonded Turntrans-57.1-21.2175.7-74.40000113.9N309 Q310 H311 T321N309-C313 PolarHBondContact O-N 3.18Å; N309-C313 VanDerWaalsContact O-N 3.14Å; N309-C313 PolarHBondContact O-SG 3.11Å; Q310-C313 VanDerWaalsContact O-CB 3.26Å; Q310-C313 WeakPolarHBondContact O-CB 3.11Å; Q310-C313 PolarHBondContact O-N 3.45Å; H311-C313 VanDerWaalsContact C-N 3.25Å; H311-C313 PolarHBondContact O-N 3.38Å; C313-T321 WeakPolarHBondContact SG-CG2 3.37Å
314T42.6Very low57.7Low112 Ų11275.6 Ų75.669%0.68740%0.401SS*.THydrogen-bonded Turntrans-88.5-14.8-175.851.50000114.1H311 N312H311-T314 PolarHBondContact O-OG1 2.91Å; N312-T314 PolarHBondContact O-N 3.44Å; N312-T314 VanDerWaalsContact O-N 3.08Å
315L48.7Very low57.6Low133 Ų13375.6 Ų75.670%0.69640%0.402SS*.THydrogen-bonded Turntrans-118.5-36.4-171.4-94.284.8000116.2N312N312-L315 PolarHBondContact O-N 3.48Å
316N48Very low57.7Low135 Ų13578.4 Ų78.472%0.72242%0.416SS*.SBendtrans-153.2106.3-172.9-72.4-55.7000113
317N53.2Low58.3Low103 Ų10378 Ų7855%0.55141%0.414SS*.  trans74.682.8162.4-139.9-6.3000117.9S319 T320 T321N317-S319 VanDerWaalsContact C-N 3.28Å; N317-S319 PolarHBondContact O-N 3Å; N317-T320 PolarHBondContact O-N 2.88Å; N317-T321 PolarHBondContact O-OG1 3.49Å
318P57.9Low59.3Low100 Ų10073.2 Ų73.265%0.64939%0.392SS*.Hα-helixtrans-65.1-24.1-173.424.7-33.5000115S322P318-S322 PolarHBondContact O-N 3.4Å
319S57.6Low60.6Low63 Ų6375.7 Ų75.744%0.44140%0.404SS..Hα-helixtrans-71.8-39.7-176.365.20000113.1N317 R323N317-S319 VanDerWaalsContact C-N 3.28Å; N317-S319 PolarHBondContact O-N 3Å; S319-R323 WeakPolarHBondContact O-CG 3.39Å; S319-R323 PolarHBondContact O-N 3.24Å
320T56.2Low62.2Low67 Ų6779.4 Ų79.441%0.41142%0.421SS..Hα-helixtrans-71-43.1178.8-51.80000110.8N317 S322 R323 T324N317-T320 PolarHBondContact O-N 2.88Å; T320-S322 VanDerWaalsContact C-N 3.31Å; T320-S322 PolarHBondContact O-N 3.49Å; T320-R323 WeakPolarHBondContact O-CB 3.42Å; T320-R323 PolarHBondContact O-N 3.33Å; T320-R323 VanDerWaalsContact O-N 3.11Å; T320-T324 PolarHBondContact O-N 3Å; T320-T324 PolarHBondContact O-OG1 2.93Å
321T58.2Low64.1Low16 Ų1677 Ų7710%0.09841%0.413CS..Hα-helixtrans-60.6-39.5179.2-48.40000112.4N309 C313 N317 Y325N309-T321 HydrophobicContact CB-CG2 3.79Å; N309-T321 WeakPolarHBondContact O-CG2 3.4Å; C313-T321 WeakPolarHBondContact SG-CG2 3.37Å; N317-T321 PolarHBondContact O-OG1 3.49Å; T321-Y325 WeakPolarHBondContact O-CB 3.37Å; T321-Y325 PolarHBondContact O-N 3.26Å
322S66.8Low66Low66 Ų6673 Ų7346%0.46239%0.392SS..Hα-helixtrans-63.3-42.2174.5-176.50000112.4P318 T320 Y325 I326P318-S322 PolarHBondContact O-N 3.4Å; T320-S322 VanDerWaalsContact C-N 3.31Å; T320-S322 PolarHBondContact O-N 3.49Å; S322-Y325 PolarHBondContact O-N 3.47Å; S322-I326 VanDerWaalsContact O-CG1 3.27Å; S322-I326 WeakPolarHBondContact O-CG1 3.46Å; S322-I326 PolarHBondContact O-N 3Å
323R68.9Low68.1Low150 Ų15074.4 Ų74.457%0.56640%0.396SS*.Hα-helixtrans-64.8-44.4178.8-70.5175.7-176.6-179.82112.2S319 T320 I326 A327 V495S319-R323 WeakPolarHBondContact O-CG 3.39Å; S319-R323 PolarHBondContact O-N 3.24Å; T320-R323 WeakPolarHBondContact O-CB 3.42Å; T320-R323 PolarHBondContact O-N 3.33Å; T320-R323 VanDerWaalsContact O-N 3.11Å; R323-I326 PolarHBondContact O-N 3.17Å; R323-A327 WeakPolarHBondContact O-CB 3.29Å; R323-A327 PolarHBondContact O-N 2.9Å; R323-V495 HydrophobicContact CB-CG1 4.34Å
324T72.4Confident70.5Confident1 Ų176.6 Ų76.61%0.00639%0.394CS..Hα-helixtrans-59.6-47.7175-68.10000111.7N309 T320 I326 A327 L328 S499N309-T324 VanDerWaalsContact ND2-CG2 3.31Å; N309-T324 WeakPolarHBondContact ND2-CG2 3.31Å; T320-T324 PolarHBondContact O-N 3Å; T320-T324 PolarHBondContact O-OG1 2.93Å; T324-I326 VanDerWaalsContact C-N 3.32Å; T324-I326 PolarHBondContact O-N 2.78Å; T324-A327 PolarHBondContact O-N 3Å; T324-L328 HydrophobicContact CG2-CD1 3.92Å; T324-L328 HydrophobicContact CG2-CG 4.46Å; T324-L328 PolarHBondContact O-N 2.89Å; T324-S499 WeakPolarHBondContact CB-OG 3.47Å; T324-S499 WeakPolarHBondContact CG2-OG 3.43Å; T324-S499 WeakPolarHBondContact OG1-CB 3.34Å; T324-S499 PolarHBondContact OG1-OG 3.38Å
325Y75Confident72.9Confident89 Ų8971.7 Ų71.735%0.34936%0.364SS..Hα-helixtrans-56.4-48.2178.2177.3-88.4000111N306 T321 S322 A327 L328 Q329N306-Y325 VanDerWaalsContact ND2-CD2 3.29Å; N306-Y325 WeakPolarHBondContact ND2-CD2 3.43Å; N306-Y325 WeakPolarHBondContact ND2-CE2 3.39Å; N306-Y325 WeakPolarHBondContact OD1-CD2 3.42Å; T321-Y325 WeakPolarHBondContact O-CB 3.37Å; T321-Y325 PolarHBondContact O-N 3.26Å; S322-Y325 PolarHBondContact O-N 3.47Å; Y325-A327 PolarHBondContact O-N 3.22Å; Y325-L328 PolarHBondContact O-N 3.02Å; Y325-Q329 HydrophobicContact CD1-CG 4.15Å; Y325-Q329 HydrophobicContact CE1-CG 3.74Å; Y325-Q329 HydrophobicContact CE2-CG 4.28Å; Y325-Q329 WeakPolarHBondContact O-CB 3.41Å; Y325-Q329 VanDerWaalsContact O-CG 3.24Å; Y325-Q329 WeakPolarHBondContact O-CG 3.44Å; Y325-Q329 PolarHBondContact O-N 3.06Å; Y325-Q329 PolarHBondContact OH-NE2 2.82Å; Y325-Q329 VanDerWaalsContact OH-NE2 3.16Å
326I78.5Confident75.1Confident71 Ų7167.5 Ų67.536%0.36434%0.342SS..Hα-helixtrans-61.1-44.9178.3-67.2165.3000110.8S322 R323 T324 Q329 Q330S322-I326 VanDerWaalsContact O-CG1 3.27Å; S322-I326 WeakPolarHBondContact O-CG1 3.46Å; S322-I326 PolarHBondContact O-N 3Å; R323-I326 PolarHBondContact O-N 3.17Å; T324-I326 VanDerWaalsContact C-N 3.32Å; T324-I326 PolarHBondContact O-N 2.78Å; I326-Q329 PolarHBondContact O-N 3.39Å; I326-Q330 VanDerWaalsContact O-CG 3.32Å; I326-Q330 WeakPolarHBondContact O-CG 3.48Å; I326-Q330 PolarHBondContact O-N 3.01Å
327A81.9Confident77.2Confident2 Ų263.9 Ų63.92%0.01732%0.323CS..Hα-helixtrans-63.8-45.1-179.400000112.4R323 T324 Y325 Q330 V331 M492 I496R323-A327 WeakPolarHBondContact O-CB 3.29Å; R323-A327 PolarHBondContact O-N 2.9Å; T324-A327 PolarHBondContact O-N 3Å; Y325-A327 PolarHBondContact O-N 3.22Å; A327-Q330 WeakPolarHBondContact O-CB 3.32Å; A327-Q330 PolarHBondContact O-N 3.38Å; A327-V331 WeakPolarHBondContact O-CG2 3.17Å; A327-V331 PolarHBondContact O-N 3.38Å; A327-V331 VanDerWaalsContact O-N 3.11Å; A327-M492 HydrophobicContact CB-CE 3.54Å; A327-I496 HydrophobicContact CB-CD1 3.79Å; A327-I496 HydrophobicContact CB-CG1 3.54Å
328L83.6Confident79.2Confident14 Ų1460 Ų607%0.07330%0.3CS..Hα-helixtrans-63.7-40.3175.6-79.5172000112T324 Y325 Q330 V331 R332 I496T324-L328 HydrophobicContact CG2-CD1 3.92Å; T324-L328 HydrophobicContact CG2-CG 4.46Å; T324-L328 PolarHBondContact O-N 2.89Å; Y325-L328 PolarHBondContact O-N 3.02Å; L328-Q330 VanDerWaalsContact C-N 3.33Å; L328-Q330 PolarHBondContact O-N 2.93Å; L328-V331 PolarHBondContact O-N 3.09Å; L328-R332 PolarHBondContact O-N 3.1Å; L328-I496 HydrophobicContact CD2-CD1 4.29Å; L328-I496 HydrophobicContact CD2-CG1 4.43Å; L328-I496 HydrophobicContact CD2-CG2 3.54Å; L328-I496 HydrophobicContact CG-CD1 4.49Å; L328-I496 HydrophobicContact CG-CG1 4.31Å; L328-I496 HydrophobicContact CG-CG2 4.01Å
329Q83.9Confident80.9Confident55 Ų5555.2 Ų55.226%0.25727%0.269SS..Hα-helixtrans-66.8-34.7176.6-70.4-65.78.100112.6N306 Y325 I326 R332 H333N306-Q329 PolarHBondContact ND2-NE2 2.81Å; N306-Q329 VanDerWaalsContact ND2-NE2 3.1Å; Y325-Q329 HydrophobicContact CD1-CG 4.15Å; Y325-Q329 HydrophobicContact CE1-CG 3.74Å; Y325-Q329 HydrophobicContact CE2-CG 4.28Å; Y325-Q329 WeakPolarHBondContact O-CB 3.41Å; Y325-Q329 VanDerWaalsContact O-CG 3.24Å; Y325-Q329 WeakPolarHBondContact O-CG 3.44Å; Y325-Q329 PolarHBondContact O-N 3.06Å; Y325-Q329 PolarHBondContact OH-NE2 2.82Å; Y325-Q329 VanDerWaalsContact OH-NE2 3.16Å; I326-Q329 PolarHBondContact O-N 3.39Å; Q329-R332 PolarHBondContact O-N 3.4Å; Q329-H333 VanDerWaalsContact O-CB 3.31Å; Q329-H333 WeakPolarHBondContact O-CB 3.39Å; Q329-H333 PolarHBondContact O-N 3.47Å
330Q85.5Confident82.6Confident88 Ų8856 Ų5641%0.41127%0.269SS..Hα-helixtrans-63.4-43.8172.7-75.6174.4-15.600111.9I326 A327 L328 H333 R334 M492I326-Q330 VanDerWaalsContact O-CG 3.32Å; I326-Q330 WeakPolarHBondContact O-CG 3.48Å; I326-Q330 PolarHBondContact O-N 3.01Å; A327-Q330 WeakPolarHBondContact O-CB 3.32Å; A327-Q330 PolarHBondContact O-N 3.38Å; L328-Q330 VanDerWaalsContact C-N 3.33Å; L328-Q330 PolarHBondContact O-N 2.93Å; Q330-H333 PolarHBondContact O-N 3.44Å; Q330-R334 WeakPolarHBondContact O-CB 3.48Å; Q330-R334 PolarHBondContact O-N 3.5Å; Q330-M492 VanDerWaalsContact OE1-CE 3.31Å
331V90Very high84.3Confident54 Ų5453.3 Ų53.333%0.32725%0.253SS..Hα-helixtrans-60.9-49174.9174.30000110.3A327 L328 H333 R334 L335 I496A327-V331 WeakPolarHBondContact O-CG2 3.17Å; A327-V331 PolarHBondContact O-N 3.38Å; A327-V331 VanDerWaalsContact O-N 3.11Å; L328-V331 PolarHBondContact O-N 3.09Å; V331-H333 PolarHBondContact O-N 3Å; V331-R334 PolarHBondContact O-N 3.26Å; V331-L335 HydrophobicContact CG1-CD1 3.9Å; V331-L335 HydrophobicContact CG1-CG 4.44Å; V331-L335 VanDerWaalsContact O-CG 3.31Å; V331-L335 WeakPolarHBondContact O-CG 3.37Å; V331-L335 PolarHBondContact O-N 3.07Å; V331-I496 HydrophobicContact CG2-CD1 3.92Å
332R90.7Very high86Confident58 Ų5852.6 Ų52.622%0.21925%0.248CC..Hα-helixtrans-57.1-49.2177.9-179.9-174.9168.788.8-3.9111.9L302 D303 L328 Q329 R334 L335 L336L302-R332 HydrophobicContact CD1-CB 4.49Å; D303-R332 IonicContact OD1-CZ 3.59Å; D303-R332 IonicContact OD1-NE 3.1Å; D303-R332 IonicContact OD1-NH1 2.68Å; D303-R332 PolarHBondContact OD1-NH1 2.66Å; D303-R332 IonicContact OD1-NH2 3.26Å; D303-R332 IonicContact OD2-CZ 3.74Å; D303-R332 IonicContact OD2-NH1 2.97Å; D303-R332 PolarHBondContact OD2-NH1 2.92Å; D303-R332 IonicContact OD2-NH2 3.64Å; L328-R332 PolarHBondContact O-N 3.1Å; Q329-R332 PolarHBondContact O-N 3.4Å; R332-R334 VanDerWaalsContact C-N 3.31Å; R332-R334 PolarHBondContact O-N 3.35Å; R332-L335 PolarHBondContact O-N 3.23Å; R332-L336 HydrophobicContact CG-CD1 4.16Å; R332-L336 WeakPolarHBondContact O-CG 3.35Å; R332-L336 PolarHBondContact O-N 3.44Å
333H89.4Confident87.1Confident118 Ų11851.8 Ų51.855%0.54624%0.237SC..Hα-helixtrans-59.2-44.6-179.9-177.852.5000111.2Q329 Q330 V331 L335 L336 D337Q329-H333 VanDerWaalsContact O-CB 3.31Å; Q329-H333 WeakPolarHBondContact O-CB 3.39Å; Q329-H333 PolarHBondContact O-N 3.47Å; Q330-H333 PolarHBondContact O-N 3.44Å; V331-H333 PolarHBondContact O-N 3Å; H333-L335 PolarHBondContact O-N 3.29Å; H333-L336 WeakPolarHBondContact O-CB 3.08Å; H333-L336 PolarHBondContact O-N 3.43Å; H333-D337 IonicContact CE1-OD1 2.71Å; H333-D337 IonicContact ND1-OD1 2.65Å; H333-D337 IonicContact NE2-OD2 3.92Å; H333-D337 PolarHBondContact O-N 2.96Å
334R91.2Very high88Confident114 Ų11449 Ų4943%0.4323%0.233SC..Hα-helixtrans-63.7-39.3178.9-169.359.1171.1-168-1.8113Q330 V331 R332 D337 Y338Q330-R334 WeakPolarHBondContact O-CB 3.48Å; Q330-R334 PolarHBondContact O-N 3.5Å; V331-R334 PolarHBondContact O-N 3.26Å; R332-R334 VanDerWaalsContact C-N 3.31Å; R332-R334 PolarHBondContact O-N 3.35Å; R334-D337 PolarHBondContact O-N 3Å; R334-Y338 HydrophobicContact CG-CE2 3.74Å; R334-Y338 PolarHBondContact NE-OH 3.39Å; R334-Y338 VanDerWaalsContact NE-OH 3.11Å; R334-Y338 WeakPolarHBondContact O-CD2 3.31Å; R334-Y338 PolarHBondContact O-N 3.43Å
335L94Very high88.8Confident8 Ų850.4 Ų50.44%0.04224%0.239CC..Hα-helixtrans-66.2-39.3175.7-65.7168.7000111.6L299 L302 V331 R332 H333 D337 Y338 L339 L434 W437L299-L335 HydrophobicContact CD2-CB 3.91Å; L299-L335 HydrophobicContact CD2-CD1 3.59Å; L299-L335 HydrophobicContact CD2-CG 4.4Å; L302-L335 HydrophobicContact CD1-CD1 4.02Å; V331-L335 HydrophobicContact CG1-CD1 3.9Å; V331-L335 HydrophobicContact CG1-CG 4.44Å; V331-L335 VanDerWaalsContact O-CG 3.31Å; V331-L335 WeakPolarHBondContact O-CG 3.37Å; V331-L335 PolarHBondContact O-N 3.07Å; R332-L335 PolarHBondContact O-N 3.23Å; H333-L335 PolarHBondContact O-N 3.29Å; L335-D337 VanDerWaalsContact C-N 3.34Å; L335-Y338 PolarHBondContact O-N 2.89Å; L335-L339 WeakPolarHBondContact O-CG 3.26Å; L335-L339 PolarHBondContact O-N 3.48Å; L335-L434 HydrophobicContact CB-CD2 4.39Å; L335-L434 HydrophobicContact CD2-CD2 3.87Å; L335-W437 HydrophobicContact CD1-CD2 3.65Å; L335-W437 VanDerWaalsContact CD1-CE2 3.46Å; L335-W437 HydrophobicContact CD1-CE3 4.2Å; L335-W437 HydrophobicContact CD1-CG 3.96Å; L335-W437 HydrophobicContact CD1-CH2 4.4Å; L335-W437 HydrophobicContact CD1-CZ2 3.88Å; L335-W437 HydrophobicContact CD2-CB 3.76Å; L335-W437 HydrophobicContact CD2-CD2 3.69Å; L335-W437 HydrophobicContact CD2-CE3 3.94Å; L335-W437 HydrophobicContact CD2-CG 3.59Å; L335-W437 HydrophobicContact CG-CD2 4.34Å; L335-W437 HydrophobicContact CG-CG 4.44Å
336L93.9Very high89.4Confident46 Ų4646.5 Ų46.524%0.24123%0.225CC..Hα-helixtrans-63.2-39.8174.2-73.1170.5000111.9L299 R332 H333 Y338 L339 N340L299-L336 HydrophobicContact CD1-CD2 3.55Å; L299-L336 HydrophobicContact CD1-CG 3.93Å; R332-L336 HydrophobicContact CG-CD1 4.16Å; R332-L336 WeakPolarHBondContact O-CG 3.35Å; R332-L336 PolarHBondContact O-N 3.44Å; H333-L336 WeakPolarHBondContact O-CB 3.08Å; H333-L336 PolarHBondContact O-N 3.43Å; L336-Y338 VanDerWaalsContact C-N 3.31Å; L336-Y338 PolarHBondContact O-N 2.94Å; L336-L339 HydrophobicContact CD2-CD1 4.47Å; L336-L339 PolarHBondContact O-N 2.74Å; L336-N340 WeakPolarHBondContact O-CB 3.25Å; L336-N340 PolarHBondContact O-N 3.33Å; L336-N340 PolarHBondContact O-ND2 2.99Å
337D92.3Very high89.7Confident59 Ų5947.9 Ų47.932%0.31623%0.23SC..Hα-helixtrans-58.8-43.2175.5-66.2-20.3000111.5H333 R334 L335 N340 C341H333-D337 IonicContact CE1-OD1 2.71Å; H333-D337 IonicContact ND1-OD1 2.65Å; H333-D337 IonicContact NE2-OD2 3.92Å; H333-D337 PolarHBondContact O-N 2.96Å; R334-D337 PolarHBondContact O-N 3Å; L335-D337 VanDerWaalsContact C-N 3.34Å; D337-N340 PolarHBondContact O-N 2.83Å; D337-C341 WeakPolarHBondContact O-CB 3.21Å; D337-C341 PolarHBondContact O-N 3.29Å
338Y94.6Very high89.6Confident21 Ų2152.7 Ų52.78%0.08225%0.253CS..Hα-helixtrans-64.7-42175.9-63-44.4000112.5R334 L335 L336 C341 I342 A430 W433 L434R334-Y338 HydrophobicContact CG-CE2 3.74Å; R334-Y338 PolarHBondContact NE-OH 3.39Å; R334-Y338 VanDerWaalsContact NE-OH 3.11Å; R334-Y338 WeakPolarHBondContact O-CD2 3.31Å; R334-Y338 PolarHBondContact O-N 3.43Å; L335-Y338 PolarHBondContact O-N 2.89Å; L336-Y338 VanDerWaalsContact C-N 3.31Å; L336-Y338 PolarHBondContact O-N 2.94Å; Y338-C341 WeakPolarHBondContact O-CB 3.32Å; Y338-C341 PolarHBondContact O-N 3.42Å; Y338-I342 WeakPolarHBondContact O-CG1 3.48Å; Y338-I342 PolarHBondContact O-N 3.45Å; Y338-I342 VanDerWaalsContact O-N 3.12Å; Y338-A430 HydrophobicContact CD1-CB 3.88Å; Y338-A430 HydrophobicContact CG-CB 4.26Å; Y338-W433 HydrophobicContact CD2-CB 3.99Å; Y338-W433 HydrophobicContact CE1-CB 4.18Å; Y338-W433 HydrophobicContact CE2-CB 3.4Å; Y338-W433 HydrophobicContact CE2-CG 4.13Å; Y338-W433 VanDerWaalsContact CZ-CB 3.5Å; Y338-W433 AromaticContact CZ-CD1 3.99Å; Y338-W433 AromaticContact CZ-CG 3.8Å; Y338-L434 HydrophobicContact CD2-CG 4.27Å; Y338-L434 HydrophobicContact CG-CG 4.31Å
339L94.8Very high89.3Confident0 Ų052.8 Ų52.80%025%0.253CS..Hα-helixtrans-64.5-43.9178-68.1165.8000111.6V292 S295 K296 L299 L335 L336 C341 I342 E343 L434V292-L339 HydrophobicContact CB-CD2 4.34Å; V292-L339 HydrophobicContact CG1-CB 4.34Å; V292-L339 HydrophobicContact CG1-CD2 4.12Å; V292-L339 HydrophobicContact CG2-CD2 4.25Å; S295-L339 VanDerWaalsContact CB-CD2 3.48Å; K296-L339 HydrophobicContact CG-CD1 3.85Å; L299-L339 HydrophobicContact CD1-CD1 3.71Å; L335-L339 WeakPolarHBondContact O-CG 3.26Å; L335-L339 PolarHBondContact O-N 3.48Å; L336-L339 HydrophobicContact CD2-CD1 4.47Å; L336-L339 PolarHBondContact O-N 2.74Å; L339-C341 VanDerWaalsContact C-N 3.29Å; L339-C341 PolarHBondContact O-N 3.02Å; L339-I342 PolarHBondContact O-N 3.22Å; L339-E343 PolarHBondContact O-N 3.42Å; L339-L434 HydrophobicContact CD2-CD1 3.67Å; L339-L434 HydrophobicContact CD2-CD2 4.1Å; L339-L434 HydrophobicContact CG-CD1 4.01Å; L339-L434 HydrophobicContact CG-CD2 4Å
340N93.4Very high88.8Confident79 Ų7950.3 Ų50.342%0.42224%0.241SC..Hα-helixtrans-64.3-35.9176.2-67.2-20.9000111.5L336 D337 E343 L344L336-N340 WeakPolarHBondContact O-CB 3.25Å; L336-N340 PolarHBondContact O-N 3.33Å; L336-N340 PolarHBondContact O-ND2 2.99Å; D337-N340 PolarHBondContact O-N 2.83Å; N340-E343 PolarHBondContact O-N 3.26Å; N340-L344 VanDerWaalsContact O-CB 3.31Å; N340-L344 WeakPolarHBondContact O-CB 3.47Å; N340-L344 PolarHBondContact O-N 3.42Å
341C92Very high87.8Confident11 Ų1150.2 Ų50.27%0.07425%0.247CC..Hα-helixtrans-60.3-45.1174.3-177.20000111.5D337 Y338 L339 L344 H345 A430D337-C341 WeakPolarHBondContact O-CB 3.21Å; D337-C341 PolarHBondContact O-N 3.29Å; Y338-C341 WeakPolarHBondContact O-CB 3.32Å; Y338-C341 PolarHBondContact O-N 3.42Å; L339-C341 VanDerWaalsContact C-N 3.29Å; L339-C341 PolarHBondContact O-N 3.02Å; C341-L344 PolarHBondContact O-N 2.89Å; C341-H345 PolarHBondContact O-N 2.99Å; C341-H345 VanDerWaalsContact O-N 3.11Å; C341-H345 PolarHBondContact O-ND1 3.45Å; C341-A430 HydrophobicContact CB-CB 4Å
342I92.5Very high86.3Confident0 Ų051.6 Ų51.60%026%0.256CS..Hα-helixtrans-64.8-45.5177.2-63169.1000110.8A288 F291 V292 Y338 L339 L344 H345 V346 L409 V427 A430 I431 L434A288-I342 HydrophobicContact CB-CG2 4.3Å; F291-I342 HydrophobicContact CD1-CD1 4.05Å; F291-I342 HydrophobicContact CE1-CD1 3.64Å; V292-I342 HydrophobicContact CG2-CB 3.91Å; V292-I342 HydrophobicContact CG2-CG2 3.64Å; Y338-I342 WeakPolarHBondContact O-CG1 3.48Å; Y338-I342 PolarHBondContact O-N 3.45Å; Y338-I342 VanDerWaalsContact O-N 3.12Å; L339-I342 PolarHBondContact O-N 3.22Å; I342-L344 VanDerWaalsContact C-N 3.34Å; I342-L344 PolarHBondContact O-N 3.37Å; I342-H345 PolarHBondContact O-N 3.13Å; I342-V346 WeakPolarHBondContact O-CG2 3.27Å; I342-V346 PolarHBondContact O-N 3.42Å; I342-L409 HydrophobicContact CG2-CD1 4.36Å; I342-V427 HydrophobicContact CB-CG2 4.42Å; I342-V427 HydrophobicContact CG1-CG2 3.92Å; I342-A430 HydrophobicContact CD1-CB 4.44Å; I342-A430 HydrophobicContact CG1-CB 4.06Å; I342-I431 HydrophobicContact CD1-CG1 3.69Å; I342-I431 HydrophobicContact CG1-CG1 4.1Å; I342-L434 HydrophobicContact CD1-CD1 3.58Å
343E91Very high84.4Confident50 Ų5051.5 Ų51.523%0.23426%0.262CS..Hα-helixtrans-57.5-47.9176.4-73.2-178.9146.700111.2V292 K296 L339 N340 H345 V346 E347V292-E343 HydrophobicContact CB-CG 4.44Å; V292-E343 HydrophobicContact CG1-CG 3.78Å; V292-E343 WeakPolarHBondContact CG1-OE1 3.29Å; V292-E343 HydrophobicContact CG2-CG 4.24Å; K296-E343 IonicContact NZ-OE1 2.8Å; K296-E343 PolarHBondContact NZ-OE1 3.33Å; K296-E343 IonicContact NZ-OE2 3.28Å; K296-E343 PolarHBondContact NZ-OE2 2.93Å; L339-E343 PolarHBondContact O-N 3.42Å; N340-E343 PolarHBondContact O-N 3.26Å; E343-H345 VanDerWaalsContact C-N 3.3Å; E343-H345 PolarHBondContact O-N 3.26Å; E343-V346 WeakPolarHBondContact O-CA 3.37Å; E343-V346 WeakPolarHBondContact O-CB 3.46Å; E343-V346 PolarHBondContact O-N 3.44Å; E343-E347 WeakPolarHBondContact O-CG 3.34Å; E343-E347 PolarHBondContact O-N 3.37Å
344L88.4Confident82.3Confident92 Ų9247.1 Ų47.148%0.48224%0.243SC..Hα-helixtrans-58.2-40.7178.8-176136.4000112.2N340 C341 I342 E347 M348N340-L344 VanDerWaalsContact O-CB 3.31Å; N340-L344 WeakPolarHBondContact O-CB 3.47Å; N340-L344 PolarHBondContact O-N 3.42Å; C341-L344 PolarHBondContact O-N 2.89Å; I342-L344 VanDerWaalsContact C-N 3.34Å; I342-L344 PolarHBondContact O-N 3.37Å; L344-E347 PolarHBondContact O-N 3.48Å; L344-M348 HydrophobicContact CD2-CG 4.31Å; L344-M348 HydrophobicContact CD2-SD 3.53Å; L344-M348 VanDerWaalsContact CD2-SD 3.53Å; L344-M348 HydrophobicContact CG-SD 4.45Å; L344-M348 VanDerWaalsContact O-CG 3.3Å; L344-M348 WeakPolarHBondContact O-CG 3.29Å; L344-M348 PolarHBondContact O-N 3.26Å
345H88Confident80Confident30 Ų3046 Ų4614%0.13925%0.249CC..Hα-helixtrans-66.5-40.3174.8-76.278.1000112.3C341 I342 E343 E347 M348 H349 L409 N425 V427C341-H345 PolarHBondContact O-N 2.99Å; C341-H345 VanDerWaalsContact O-N 3.11Å; C341-H345 PolarHBondContact O-ND1 3.45Å; I342-H345 PolarHBondContact O-N 3.13Å; E343-H345 VanDerWaalsContact C-N 3.3Å; E343-H345 PolarHBondContact O-N 3.26Å; H345-E347 VanDerWaalsContact C-N 3.26Å; H345-E347 PolarHBondContact O-N 3.36Å; H345-M348 PolarHBondContact O-N 3.16Å; H345-H349 PolarHBondContact O-CD2 3.1Å; H345-H349 PolarHBondContact O-N 3.25Å; H345-L409 HydrophobicContact CB-CD2 4.21Å; H345-N425 PolarHBondContact CE1-O 2.86Å; H345-N425 PolarHBondContact NE2-O 3.49Å; H345-V427 HydrophobicContact CB-CB 4.28Å; H345-V427 HydrophobicContact CB-CG2 4.15Å
346V87Confident77.3Confident7 Ų749.2 Ų49.24%0.04227%0.269CS..Hα-helixtrans-57.4-44.2172.7171.80000110.1A288 I342 E343 H349 T350 K401 L404 L409A288-V346 HydrophobicContact CB-CG2 3.72Å; I342-V346 WeakPolarHBondContact O-CG2 3.27Å; I342-V346 PolarHBondContact O-N 3.42Å; E343-V346 WeakPolarHBondContact O-CA 3.37Å; E343-V346 WeakPolarHBondContact O-CB 3.46Å; E343-V346 PolarHBondContact O-N 3.44Å; V346-H349 PolarHBondContact O-N 2.91Å; V346-T350 WeakPolarHBondContact O-CG2 3.41Å; V346-T350 PolarHBondContact O-N 3.08Å; V346-T350 VanDerWaalsContact O-N 3.13Å; V346-T350 PolarHBondContact O-OG1 3.03Å; V346-K401 HydrophobicContact CG1-CB 4.26Å; V346-K401 HydrophobicContact CG1-CG 4.21Å; V346-L404 HydrophobicContact CG1-CB 4.41Å; V346-L404 HydrophobicContact CG1-CD1 4Å; V346-L409 HydrophobicContact CG2-CD1 3.88Å
347E84.7Confident74.7Confident100 Ų10049.8 Ų49.847%0.46728%0.275SS..Hα-helixtrans-63.6-49.1178.7-60.9-160.6140.800112.6E343 L344 H345 H349 T350 T351 K401E343-E347 WeakPolarHBondContact O-CG 3.34Å; E343-E347 PolarHBondContact O-N 3.37Å; L344-E347 PolarHBondContact O-N 3.48Å; H345-E347 VanDerWaalsContact C-N 3.26Å; H345-E347 PolarHBondContact O-N 3.36Å; E347-H349 VanDerWaalsContact C-N 3.27Å; E347-H349 PolarHBondContact O-N 3.36Å; E347-T350 PolarHBondContact O-N 2.96Å; E347-T350 VanDerWaalsContact O-N 3.08Å; E347-T350 PolarHBondContact O-OG1 3.2Å; E347-T351 PolarHBondContact O-N 3.42Å; E347-T351 VanDerWaalsContact O-N 3.12Å; E347-T351 PolarHBondContact O-OG1 3.32Å; E347-K401 IonicContact OE1-NZ 2.66Å; E347-K401 PolarHBondContact OE1-NZ 3.1Å
348M80.8Confident72Confident102 Ų10251.9 Ų51.950%0.50229%0.286SS..Hα-helixtrans-57.2-39.3178.6-72.8179.465.700112.9L344 H345 T351 T352L344-M348 HydrophobicContact CD2-CG 4.31Å; L344-M348 HydrophobicContact CD2-SD 3.53Å; L344-M348 VanDerWaalsContact CD2-SD 3.53Å; L344-M348 HydrophobicContact CG-SD 4.45Å; L344-M348 VanDerWaalsContact O-CG 3.3Å; L344-M348 WeakPolarHBondContact O-CG 3.29Å; L344-M348 PolarHBondContact O-N 3.26Å; H345-M348 PolarHBondContact O-N 3.16Å; M348-T351 PolarHBondContact O-OG1 3.28Å; M348-T352 WeakPolarHBondContact O-CB 3.31Å; M348-T352 PolarHBondContact O-N 2.89Å; M348-T352 PolarHBondContact O-OG1 3.11Å
349H77.3Confident69.2Low16 Ų1657.2 Ų57.27%0.07432%0.315CS..Hα-helixtrans-73.5-30.5178.2-83.2-75.2000113H345 V346 E347 T353 L404 Y408 Y412H345-H349 PolarHBondContact O-CD2 3.1Å; H345-H349 PolarHBondContact O-N 3.25Å; V346-H349 PolarHBondContact O-N 2.91Å; E347-H349 VanDerWaalsContact C-N 3.27Å; E347-H349 PolarHBondContact O-N 3.36Å; H349-T353 PolarHBondContact O-OG1 3.42Å; H349-T353 VanDerWaalsContact O-OG1 3.11Å; H349-L404 HydrophobicContact CB-CD1 4.06Å; H349-L404 HydrophobicContact CB-CD2 3.81Å; H349-Y408 HydrophobicContact CB-CE1 4.32Å; H349-Y408 AromaticContact CE1-CE1 3.95Å; H349-Y408 AromaticContact CG-CE1 3.86Å; H349-Y408 AromaticContact ND1-CE1 3.49Å; H349-Y408 WeakPolarHBondContact ND1-CE1 3.18Å; H349-Y408 AromaticContact ND1-CZ 3.97Å; H349-Y412 AromaticContact CE1-CD1 3.2Å; H349-Y412 WeakPolarHBondContact CE1-CD1 3.49Å; H349-Y412 AromaticContact CE1-CD2 3.49Å; H349-Y412 VanDerWaalsContact CE1-CD2 3.49Å; H349-Y412 WeakPolarHBondContact CE1-CD2 3.4Å; H349-Y412 AromaticContact CE1-CE1 3.3Å; H349-Y412 WeakPolarHBondContact CE1-CE1 3.33Å; H349-Y412 AromaticContact CE1-CE2 3.58Å; H349-Y412 AromaticContact CE1-CG 3.3Å; H349-Y412 AromaticContact CE1-CZ 3.48Å; H349-Y412 VanDerWaalsContact CE1-CZ 3.48Å; H349-Y412 AromaticContact NE2-CD1 3.28Å; H349-Y412 VanDerWaalsContact NE2-CD1 3.28Å; H349-Y412 WeakPolarHBondContact NE2-CD1 3.39Å; H349-Y412 AromaticContact NE2-CE1 3.54Å; H349-Y412 AromaticContact NE2-CG 3.72Å
350T73.7Confident66.3Low3 Ų364.8 Ų64.82%0.01835%0.352CS..Hα-helixtrans-72.4-33.7174.655.70000114.4V346 E347 T354 K400 K401 L404V346-T350 WeakPolarHBondContact O-CG2 3.41Å; V346-T350 PolarHBondContact O-N 3.08Å; V346-T350 VanDerWaalsContact O-N 3.13Å; V346-T350 PolarHBondContact O-OG1 3.03Å; E347-T350 PolarHBondContact O-N 2.96Å; E347-T350 VanDerWaalsContact O-N 3.08Å; E347-T350 PolarHBondContact O-OG1 3.2Å; T350-T354 PolarHBondContact O-OG1 2.98Å; T350-K400 HydrophobicContact CG2-CB 4.08Å; T350-K401 HydrophobicContact CG2-CB 4.07Å; T350-K401 HydrophobicContact CG2-CG 3.35Å; T350-L404 HydrophobicContact CG2-CD1 3.33Å
351T65.1Low63.6Low87 Ų8767.8 Ų67.853%0.53437%0.368SS..Hα-helixtrans-74.2-43.3178.453.40000111.5E347 M348 T353 T354 T355E347-T351 PolarHBondContact O-N 3.42Å; E347-T351 VanDerWaalsContact O-N 3.12Å; E347-T351 PolarHBondContact O-OG1 3.32Å; M348-T351 PolarHBondContact O-OG1 3.28Å; T351-T353 PolarHBondContact O-N 3Å; T351-T354 PolarHBondContact O-N 3.05Å; T351-T354 VanDerWaalsContact O-N 3.15Å; T351-T355 PolarHBondContact O-OG1 3.14Å
352T57.2Low60.6Low82 Ų8272.5 Ų72.550%0.50339%0.393SS..Hα-helixtrans-63.1-39.2-175.4-53.90000112.8M348 T354 T356M348-T352 WeakPolarHBondContact O-CB 3.31Å; M348-T352 PolarHBondContact O-N 2.89Å; M348-T352 PolarHBondContact O-OG1 3.11Å; T352-T354 VanDerWaalsContact C-N 3.29Å; T352-T354 PolarHBondContact O-N 3.23Å; T352-T356 PolarHBondContact O-OG1 2.85Å; T352-T356 VanDerWaalsContact O-OG1 3.06Å
353T50.6Low57.8Low56 Ų5678.2 Ų78.234%0.34443%0.43SS..Hα-helixtrans-70.9-24178.7-49.40000112.9H349 T351 T356 T357H349-T353 PolarHBondContact O-OG1 3.42Å; H349-T353 VanDerWaalsContact O-OG1 3.11Å; T351-T353 PolarHBondContact O-N 3Å; T353-T356 PolarHBondContact O-N 3.33Å; T353-T356 PolarHBondContact O-OG1 3.37Å; T353-T357 PolarHBondContact O-N 3.37Å; T353-T357 PolarHBondContact O-OG1 3.03Å
354T47Very low55.2Low26 Ų2682.3 Ų82.316%0.1645%0.454CS..Hα-helixtrans-75.2-34.3-178.2-53.30000111.3T350 T351 T352 T356 T357 N358T350-T354 PolarHBondContact O-OG1 2.98Å; T351-T354 PolarHBondContact O-N 3.05Å; T351-T354 VanDerWaalsContact O-N 3.15Å; T352-T354 VanDerWaalsContact C-N 3.29Å; T352-T354 PolarHBondContact O-N 3.23Å; T354-T356 VanDerWaalsContact C-N 3.32Å; T354-T356 PolarHBondContact O-N 3.32Å; T354-T357 PolarHBondContact O-N 3.32Å; T354-T357 PolarHBondContact O-OG1 3.05Å; T354-T357 VanDerWaalsContact O-OG1 3.08Å; T354-N358 PolarHBondContact O-N 3.31Å; T354-N358 VanDerWaalsContact O-N 3.16Å
355T41.5Very low52.6Low90 Ų9088 Ų8855%0.55247%0.471SS*.Hα-helixtrans-65.3-36.5173.8-38.50000111.7T351 L359T351-T355 PolarHBondContact O-OG1 3.14Å; T355-L359 HydrophobicContact CG2-CD1 4.25Å; T355-L359 WeakPolarHBondContact O-CD1 3.27Å; T355-L359 WeakPolarHBondContact O-CG 3.46Å; T355-L359 PolarHBondContact O-N 2.95Å
356T38Very low49.9Very low76 Ų7692.6 Ų92.647%0.46650%0.5SS..Hα-helixtrans-72.2-37.4178.40.70000112.6T352 T353 T354 L359 M360T352-T356 PolarHBondContact O-OG1 2.85Å; T352-T356 VanDerWaalsContact O-OG1 3.06Å; T353-T356 PolarHBondContact O-N 3.33Å; T353-T356 PolarHBondContact O-OG1 3.37Å; T354-T356 VanDerWaalsContact C-N 3.32Å; T354-T356 PolarHBondContact O-N 3.32Å; T356-L359 PolarHBondContact O-N 3.5Å; T356-M360 PolarHBondContact O-N 3.32Å
357T38.3Very low47.2Very low59 Ų5998.1 Ų98.136%0.36253%0.534SS..Hα-helixtrans-72.1-29.7177.247.60000113.4T353 T354T353-T357 PolarHBondContact O-N 3.37Å; T353-T357 PolarHBondContact O-OG1 3.03Å; T354-T357 PolarHBondContact O-N 3.32Å; T354-T357 PolarHBondContact O-OG1 3.05Å; T354-T357 VanDerWaalsContact O-OG1 3.08Å
358N36.9Very low44.7Very low103 Ų103100.9 Ų100.955%0.55155%0.553SS**Hα-helixtrans-77.2-23.1177.4-69.4-7.7000112.8T354T354-N358 PolarHBondContact O-N 3.31Å; T354-N358 VanDerWaalsContact O-N 3.16Å
359L34.8Very low42.3Very low133 Ų133100.9 Ų100.970%0.69656%0.562SS**Hα-helixtrans-86.7-18176.1-74162.8000113.6T355 T356T355-L359 HydrophobicContact CG2-CD1 4.25Å; T355-L359 WeakPolarHBondContact O-CD1 3.27Å; T355-L359 WeakPolarHBondContact O-CG 3.46Å; T355-L359 PolarHBondContact O-N 2.95Å; T356-L359 PolarHBondContact O-N 3.5Å
360M34.4Very low40.2Very low158 Ų158107.1 Ų107.178%0.77860%0.602SS**SBendtrans-91.8-4.5-179.6-78.7-174.1156.400114.5T356T356-M360 PolarHBondContact O-N 3.32Å
361N35.9Very low38.1Very low142 Ų142114.5 Ų114.576%0.75964%0.639SS**SBendtrans-102.810-178.6-85.8-4.8000114.6
362D30.4Very low36.6Very low110 Ų110118 Ų11859%0.58865%0.653SS**  trans-123.7102178.8-136.5-22.1000111.2N364D362-N364 PolarHBondContact O-N 3.02Å; D362-N364 VanDerWaalsContact O-N 3.13Å
363P33.7Very low35.3Very low121 Ų121119.4 Ų119.479%0.78667%0.666SS**THydrogen-bonded Turntrans-73.15.5-178.3-14.328.7000114.9
364N36.3Very low34.3Very low136 Ų136119.7 Ų119.773%0.72768%0.681SS**THydrogen-bonded Turntrans-139.638.4-161-85.6-17.7000115.7D362D362-N364 PolarHBondContact O-N 3.02Å; D362-N364 VanDerWaalsContact O-N 3.13Å
365Y32.9Very low33.8Very low212 Ų212125.3 Ų125.383%0.83172%0.715SS**  trans-130.496171.3-121.5-91.7000114.5
366T32Very low33.2Very low125 Ų125128.4 Ų128.477%0.76773%0.729SS**  trans-57.8142.5158.59.70000111.5
367T30.9Very low33Very low123 Ų123134.2 Ų134.276%0.75575%0.75SS**  trans-42.7136.6171.637.90000114.6
368D32.1Very low32.7Very low159 Ų159136 Ų13685%0.8577%0.772SS**  -171.2137.4121.2-92.7-20.2000113.3
369S30.3Very low32.6Very low101 Ų101136.9 Ų136.971%0.70679%0.786SS**  trans-81.9131.7179.946.70000112.4
370T32.8Very low32.4Very low147 Ų147138.5 Ų138.590%0.90279%0.791SS**  trans-171.5133.1135.55.30000113.1
371I29.9Very low32.4Very low158 Ų158138 Ų13881%0.8179%0.792SS**  trans-68.5139.8167.9-64.5164.1000108.6
372I33.6Very low32.3Very low160 Ų160138.6 Ų138.682%0.82180%0.795SS**  trans-171.7132.5135.5-89.4146.2000110.2
373S29Very low32.5Very low112 Ų112143.7 Ų143.778%0.78381%0.806SS**  trans-53.6150.7170.7490000115.8
374G30.5Very low32.6Very low63 Ų63146.4 Ų146.465%0.64981%0.808SS**  trans151.6110.1149.200000116.7
375T34.7Very low32.5Very low143 Ų143146.5 Ų146.588%0.87781%0.809SS**  trans69.7122.8138.353.40000121.3
376D29.6Very low32.6Very low156 Ų156143.3 Ų143.383%0.83480%0.801SS**  trans-30.5135.5158.1-57.8-56000115.3
377E34.7Very low32.8Very low197 Ų197142.9 Ų142.992%0.92179%0.794SS**  -172154.7118.7-104.9-173.8-17600112.2
378A31.9Very low33Very low98 Ų98142.3 Ų142.381%0.8179%0.786SS**  trans-68.1140.7-16100000115.5
379S34.4Very low33.4Very low121 Ų121138.5 Ų138.585%0.84677%0.769SS**  trans-144.1121.614066.20000110.4
380M31.3Very low33.9Very low166 Ų166139 Ų13982%0.81876%0.763SS**  trans-77.9115.9167.9-70.1-175.584.200107.7
381D32.7Very low34.4Very low147 Ų147136 Ų13679%0.78675%0.745SS**  trans168.9106.3141.4-93.4-19.2000108.1
382N35Very low35Very low155 Ų155133.3 Ų133.383%0.82973%0.732SS**  trans155.144.8161.5-80.7-27.1000112.6
383R34.7Very low35.6Very low217 Ų217128.6 Ų128.682%0.81971%0.709SS**  trans-89.82.1-173.1-109.4179.4-176.9161.31.9116.5
384E34.4Very low36.6Very low178 Ų178128.4 Ų128.483%0.83270%0.695SS**SBendtrans-99-12.8-174.1-75.2-173.4155.800116.1
385N35.6Very low37.1Very low138 Ų138128.6 Ų128.674%0.73869%0.686SS**SBendtrans-101.3-5.2177-80.5-18.5000114.9
386H34.3Very low38Very low146 Ų146126.1 Ų126.168%0.67667%0.667SS**Hα-helixtrans-84.7-21.7-175.5-113.1-60.2000114.2
387N36.5Very low39.3Very low115 Ų115121.2 Ų121.262%0.61564%0.641SS**Hα-helixtrans-78.4-41-177.5-74.5-24.5000112.6V389 N390 V391N387-V389 PolarHBondContact O-N 3.34Å; N387-N390 PolarHBondContact O-N 3.06Å; N387-V391 WeakPolarHBondContact O-CG2 3.31Å; N387-V391 PolarHBondContact O-N 2.66Å
388D34.5Very low40.3Very low111 Ų111116.1 Ų116.159%0.59462%0.619SS**Hα-helixtrans-68.7-35.7-179.4-78-18.8000112.9N390 N392D388-N390 VanDerWaalsContact C-N 3.33Å; D388-N390 PolarHBondContact O-N 2.98Å; D388-N392 WeakPolarHBondContact O-CB 3.13Å; D388-N392 PolarHBondContact O-N 3.08Å; D388-N392 PolarHBondContact O-ND2 3.21Å
389V41.9Very low41.4Very low80 Ų80117.5 Ų117.549%0.48561%0.607SS.*Hα-helixtrans-65.2-38.9175.7179.60000110.8N387 N393N387-V389 PolarHBondContact O-N 3.34Å; V389-N393 WeakPolarHBondContact O-CB 3.33Å; V389-N393 PolarHBondContact O-N 2.82Å; V389-N393 PolarHBondContact O-ND2 3.1Å
390N40.5Very low42.8Very low110 Ų110114.3 Ų114.359%0.58858%0.578SS**Hα-helixtrans-73.1-38.8-179.3-156.35.3000112.1N387 D388 N393 H394N387-N390 PolarHBondContact O-N 3.06Å; D388-N390 VanDerWaalsContact C-N 3.33Å; D388-N390 PolarHBondContact O-N 2.98Å; N390-N393 PolarHBondContact O-N 3.22Å; N390-H394 WeakPolarHBondContact O-CB 3.29Å; N390-H394 PolarHBondContact O-N 3.08Å
391V43.6Very low44.2Very low86 Ų86108.7 Ų108.752%0.52155%0.549SS..Hα-helixtrans-65.1-44.7174.4175.50000111N387 N393 H394 C395N387-V391 WeakPolarHBondContact O-CG2 3.31Å; N387-V391 PolarHBondContact O-N 2.66Å; V391-N393 PolarHBondContact O-N 2.79Å; V391-H394 PolarHBondContact O-N 3.42Å; V391-C395 WeakPolarHBondContact O-CB 3.15Å; V391-C395 PolarHBondContact O-N 2.9Å; V391-C395 PolarHBondContact O-SG 2.93Å
392N40.9Very low45.4Very low100 Ų100103.1 Ų103.154%0.53552%0.524SS..Hα-helixtrans-63.4-40.7176.6-78.4-26.2000112.1D388 C395 N396D388-N392 WeakPolarHBondContact O-CB 3.13Å; D388-N392 PolarHBondContact O-N 3.08Å; D388-N392 PolarHBondContact O-ND2 3.21Å; N392-C395 PolarHBondContact O-N 3.33Å; N392-N396 WeakPolarHBondContact O-CB 3.24Å; N392-N396 PolarHBondContact O-N 2.97Å; N392-N396 PolarHBondContact O-ND2 3.2Å; N392-N396 VanDerWaalsContact O-ND2 3.16Å
393N47.6Very low46.9Very low61 Ų61101.6 Ų101.633%0.32651%0.511SS..Hα-helixtrans-63.1-43.1174.3-75.6-16000111.9V389 N390 V391 N396 I397V389-N393 WeakPolarHBondContact O-CB 3.33Å; V389-N393 PolarHBondContact O-N 2.82Å; V389-N393 PolarHBondContact O-ND2 3.1Å; N390-N393 PolarHBondContact O-N 3.22Å; V391-N393 PolarHBondContact O-N 2.79Å; N393-N396 PolarHBondContact O-N 3.2Å; N393-I397 WeakPolarHBondContact O-CD1 3.37Å; N393-I397 VanDerWaalsContact O-CG1 3.23Å; N393-I397 WeakPolarHBondContact O-CG1 3.47Å; N393-I397 PolarHBondContact O-N 3.5Å
394H49.4Very low49.2Very low108 Ų10892.2 Ų92.250%0.548%0.477SS..Hα-helixtrans-63.8-45.2177.4-168.973.4000112.2N390 V391 N396 I397 L398N390-H394 WeakPolarHBondContact O-CB 3.29Å; N390-H394 PolarHBondContact O-N 3.08Å; V391-H394 PolarHBondContact O-N 3.42Å; H394-N396 VanDerWaalsContact C-N 3.34Å; H394-N396 PolarHBondContact O-N 3.05Å; H394-I397 PolarHBondContact O-N 3.46Å; H394-L398 WeakPolarHBondContact NE2-CD1 3.5Å; H394-L398 WeakPolarHBondContact O-CG 3.27Å; H394-L398 PolarHBondContact O-N 2.85Å
395C41.9Very low51.7Low68 Ų6884.6 Ų84.646%0.45944%0.444SS..Hα-helixtrans-59.9-42.9174.3-750000112V391 N392 L398 F399V391-C395 WeakPolarHBondContact O-CB 3.15Å; V391-C395 PolarHBondContact O-N 2.9Å; V391-C395 PolarHBondContact O-SG 2.93Å; N392-C395 PolarHBondContact O-N 3.33Å; C395-L398 PolarHBondContact O-N 2.85Å; C395-F399 VanDerWaalsContact O-CB 3.26Å; C395-F399 WeakPolarHBondContact O-CB 3.45Å; C395-F399 PolarHBondContact O-N 2.97Å
396N52.2Low54.3Low90 Ų9078 Ų7848%0.48141%0.409SS..Hα-helixtrans-64.8-40176.9-74.9-27.4000112.4N392 N393 H394 F399 K400N392-N396 WeakPolarHBondContact O-CB 3.24Å; N392-N396 PolarHBondContact O-N 2.97Å; N392-N396 PolarHBondContact O-ND2 3.2Å; N392-N396 VanDerWaalsContact O-ND2 3.16Å; N393-N396 PolarHBondContact O-N 3.2Å; H394-N396 VanDerWaalsContact C-N 3.34Å; H394-N396 PolarHBondContact O-N 3.05Å; N396-F399 PolarHBondContact O-N 2.89Å; N396-K400 WeakPolarHBondContact O-CB 3.31Å; N396-K400 WeakPolarHBondContact O-CG 3.3Å; N396-K400 PolarHBondContact O-N 3.43Å
397I57Low56.8Low54 Ų5471.1 Ų71.128%0.27738%0.377SS..Hα-helixtrans-65.2-47.2175.6-69.1163.4000110.4N393 H394 F399 K400 K401N393-I397 WeakPolarHBondContact O-CD1 3.37Å; N393-I397 VanDerWaalsContact O-CG1 3.23Å; N393-I397 WeakPolarHBondContact O-CG1 3.47Å; N393-I397 PolarHBondContact O-N 3.5Å; H394-I397 PolarHBondContact O-N 3.46Å; I397-F399 VanDerWaalsContact C-N 3.32Å; I397-F399 PolarHBondContact O-N 3.48Å; I397-K400 PolarHBondContact O-N 2.94Å; I397-K401 HydrophobicContact CG2-CG 4.49Å; I397-K401 WeakPolarHBondContact O-CG 3.46Å; I397-K401 PolarHBondContact O-N 3.32Å
398L56.3Low59.3Low90 Ų9070.4 Ų70.447%0.47137%0.366SS..Hα-helixtrans-61-41.5177.3-73176.1000111.9H394 C395 K401 A402H394-L398 WeakPolarHBondContact NE2-CD1 3.5Å; H394-L398 WeakPolarHBondContact O-CG 3.27Å; H394-L398 PolarHBondContact O-N 2.85Å; C395-L398 PolarHBondContact O-N 2.85Å; L398-K401 PolarHBondContact O-N 3.34Å; L398-A402 PolarHBondContact O-N 2.77Å
399F55.8Low61.8Low126 Ų12665.2 Ų65.255%0.55334%0.338SS*.Hα-helixtrans-63.3-45.8175.9-174.5-103000111.6C395 N396 I397 K401 A402 Q403C395-F399 VanDerWaalsContact O-CB 3.26Å; C395-F399 WeakPolarHBondContact O-CB 3.45Å; C395-F399 PolarHBondContact O-N 2.97Å; N396-F399 PolarHBondContact O-N 2.89Å; I397-F399 VanDerWaalsContact C-N 3.32Å; I397-F399 PolarHBondContact O-N 3.48Å; F399-K401 PolarHBondContact O-N 3.45Å; F399-A402 PolarHBondContact O-N 2.91Å; F399-Q403 HydrophobicContact CD1-CG 4.5Å; F399-Q403 HydrophobicContact CE1-CG 4.28Å; F399-Q403 HydrophobicContact CZ-CG 4.48Å; F399-Q403 WeakPolarHBondContact O-CG 3.44Å; F399-Q403 PolarHBondContact O-N 3.48Å; F399-Q403 VanDerWaalsContact O-N 3.14Å
400K62Low64.2Low54 Ų5461.4 Ų61.424%0.23532%0.315CS..Hα-helixtrans-62.2-41174.3-75.5178.7-177.3-1800112.3T350 N396 I397 A402 Q403 L404T350-K400 HydrophobicContact CG2-CB 4.08Å; N396-K400 WeakPolarHBondContact O-CB 3.31Å; N396-K400 WeakPolarHBondContact O-CG 3.3Å; N396-K400 PolarHBondContact O-N 3.43Å; I397-K400 PolarHBondContact O-N 2.94Å; K400-A402 VanDerWaalsContact C-N 3.27Å; K400-A402 PolarHBondContact O-N 3.03Å; K400-Q403 PolarHBondContact O-N 3.28Å; K400-Q403 VanDerWaalsContact O-N 3.13Å; K400-L404 PolarHBondContact O-N 3.47Å
401K60.6Low66.4Low49 Ų4957.6 Ų57.621%0.21329%0.293CS..Hα-helixtrans-58-41.8175-78.3-167.6178.3-171.20110.9V346 E347 T350 I397 L398 F399 Q403V346-K401 HydrophobicContact CG1-CB 4.26Å; V346-K401 HydrophobicContact CG1-CG 4.21Å; E347-K401 IonicContact OE1-NZ 2.66Å; E347-K401 PolarHBondContact OE1-NZ 3.1Å; T350-K401 HydrophobicContact CG2-CB 4.07Å; T350-K401 HydrophobicContact CG2-CG 3.35Å; I397-K401 HydrophobicContact CG2-CG 4.49Å; I397-K401 WeakPolarHBondContact O-CG 3.46Å; I397-K401 PolarHBondContact O-N 3.32Å; L398-K401 PolarHBondContact O-N 3.34Å; F399-K401 PolarHBondContact O-N 3.45Å; K401-Q403 VanDerWaalsContact C-N 3.3Å; K401-Q403 PolarHBondContact O-N 2.68Å
402A58.5Low68.4Low30 Ų3057.7 Ų57.725%0.24828%0.284CS..Hα-helixtrans-69.1-27178.600000113.5S287 L398 F399 K400S287-A402 PolarHBondContact OG-O 3.46Å; L398-A402 PolarHBondContact O-N 2.77Å; F399-A402 PolarHBondContact O-N 2.91Å; K400-A402 VanDerWaalsContact C-N 3.27Å; K400-A402 PolarHBondContact O-N 3.03Å
403Q66.5Low70.6Confident123 Ų12353.7 Ų53.758%0.57526%0.262SS*.Hα-helixtrans-85.8-17-178.5-73-173.3-3500114.7F399 K400 K401 S405F399-Q403 HydrophobicContact CD1-CG 4.5Å; F399-Q403 HydrophobicContact CE1-CG 4.28Å; F399-Q403 HydrophobicContact CZ-CG 4.48Å; F399-Q403 WeakPolarHBondContact O-CG 3.44Å; F399-Q403 PolarHBondContact O-N 3.48Å; F399-Q403 VanDerWaalsContact O-N 3.14Å; K400-Q403 PolarHBondContact O-N 3.28Å; K400-Q403 VanDerWaalsContact O-N 3.13Å; K401-Q403 VanDerWaalsContact C-N 3.3Å; K401-Q403 PolarHBondContact O-N 2.68Å; Q403-S405 PolarHBondContact O-N 2.93Å
404L82.4Confident72.3Confident19 Ų1953.1 Ų53.110%0.09926%0.261CS..  trans-65.5120179.1-88.6147.6000110.9A288 V346 H349 T350 K400 Y408 L409A288-L404 PolarHBondContact N-O 3.24Å; V346-L404 HydrophobicContact CG1-CB 4.41Å; V346-L404 HydrophobicContact CG1-CD1 4Å; H349-L404 HydrophobicContact CB-CD1 4.06Å; H349-L404 HydrophobicContact CB-CD2 3.81Å; T350-L404 HydrophobicContact CG2-CD1 3.33Å; K400-L404 PolarHBondContact O-N 3.47Å; L404-Y408 HydrophobicContact CD2-CD1 3.33Å; L404-Y408 HydrophobicContact CD2-CE1 3.55Å; L404-Y408 HydrophobicContact CD2-CG 4.26Å; L404-L409 HydrophobicContact CD2-CD2 4.15Å
405S88.2Confident74Confident19 Ų1955.8 Ų55.813%0.13327%0.271CS..BIsolated β-bridgetrans-96.9155.8-179.970.70000112.4D284 L286 Q403 G407 Y408 L409D284-S405 WeakPolarHBondContact O-CB 3.43Å; D284-S405 PolarHBondContact O-OG 2.97Å; L286-S405 CarbonylContact O-C 3.46Å; L286-S405 WeakPolarHBondContact O-CA 3.18Å; L286-S405 WeakPolarHBondContact O-CB 3.43Å; Q403-S405 PolarHBondContact O-N 2.93Å; S405-G407 PolarHBondContact O-N 2.94Å; S405-Y408 PolarHBondContact O-N 3.36Å; S405-Y408 WeakPolarHBondContact OG-CB 3.25Å; S405-Y408 PolarHBondContact OG-N 2.81Å; S405-Y408 VanDerWaalsContact OG-N 3.16Å; S405-L409 PolarHBondContact O-N 3.01Å
406L90Very high75.6Confident0 Ų058 Ų580%027%0.274CS..Hα-helixtrans-58.7-38.5173-66.9173.7000111.5L286 A288 F291 Y408 L409 L410 I431 F564 I568L286-L406 HydrophobicContact CB-CD1 4.15Å; L286-L406 PolarHBondContact O-N 2.93Å; A288-L406 HydrophobicContact CB-CD2 3.78Å; A288-L406 HydrophobicContact CB-CG 4.25Å; F291-L406 HydrophobicContact CB-CD1 3.93Å; F291-L406 HydrophobicContact CD1-CD1 4.09Å; F291-L406 HydrophobicContact CD1-CD2 3.94Å; F291-L406 HydrophobicContact CD2-CD1 4.4Å; F291-L406 HydrophobicContact CG-CD1 3.88Å; F291-L406 HydrophobicContact CG-CD2 4.45Å; L406-Y408 PolarHBondContact O-N 2.87Å; L406-L409 PolarHBondContact O-N 2.87Å; L406-L410 WeakPolarHBondContact O-CB 3.47Å; L406-L410 WeakPolarHBondContact O-CG 3.38Å; L406-L410 PolarHBondContact O-N 3.08Å; L406-I431 HydrophobicContact CD2-CD1 3.82Å; L406-I431 HydrophobicContact CD2-CG1 4.2Å; L406-F564 HydrophobicContact CD1-CZ 4.1Å; L406-I568 HydrophobicContact CB-CD1 4.38Å; L406-I568 HydrophobicContact CD1-CD1 3.53Å
407G86.9Confident76.5Confident0 Ų056.7 Ų56.70%026%0.263CS..Hα-helixtrans-57.4-47.1173.500000113.8D284 S405 L409 L410 R411D284-G407 WeakPolarHBondContact OD1-CA 3.37Å; S405-G407 PolarHBondContact O-N 2.94Å; G407-L409 PolarHBondContact O-N 2.95Å; G407-L410 PolarHBondContact O-N 3.42Å; G407-R411 WeakPolarHBondContact O-CB 3.1Å; G407-R411 WeakPolarHBondContact O-CG 3.45Å; G407-R411 PolarHBondContact O-N 3.13Å
408Y87.7Confident76.3Confident101 Ų10164 Ų6440%0.39630%0.296SS..Hα-helixtrans-60.6-47177.9176.2-89.1000111.4H349 L404 S405 L406 Y412H349-Y408 HydrophobicContact CB-CE1 4.32Å; H349-Y408 AromaticContact CE1-CE1 3.95Å; H349-Y408 AromaticContact CG-CE1 3.86Å; H349-Y408 AromaticContact ND1-CE1 3.49Å; H349-Y408 WeakPolarHBondContact ND1-CE1 3.18Å; H349-Y408 AromaticContact ND1-CZ 3.97Å; L404-Y408 HydrophobicContact CD2-CD1 3.33Å; L404-Y408 HydrophobicContact CD2-CE1 3.55Å; L404-Y408 HydrophobicContact CD2-CG 4.26Å; S405-Y408 PolarHBondContact O-N 3.36Å; S405-Y408 WeakPolarHBondContact OG-CB 3.25Å; S405-Y408 PolarHBondContact OG-N 2.81Å; S405-Y408 VanDerWaalsContact OG-N 3.16Å; L406-Y408 PolarHBondContact O-N 2.87Å; Y408-Y412 WeakPolarHBondContact O-CB 3.41Å; Y408-Y412 PolarHBondContact O-N 2.74Å
409L88.8Confident76.1Confident2 Ų262.4 Ų62.41%0.0129%0.292CS..Hα-helixtrans-61.8-45.8-179.7-66.7178.1000112A288 I342 H345 V346 L404 S405 L406 G407 Y412 E413 V427A288-L409 HydrophobicContact CB-CD1 3.71Å; I342-L409 HydrophobicContact CG2-CD1 4.36Å; H345-L409 HydrophobicContact CB-CD2 4.21Å; V346-L409 HydrophobicContact CG2-CD1 3.88Å; L404-L409 HydrophobicContact CD2-CD2 4.15Å; S405-L409 PolarHBondContact O-N 3.01Å; L406-L409 PolarHBondContact O-N 2.87Å; G407-L409 PolarHBondContact O-N 2.95Å; L409-Y412 PolarHBondContact O-N 3.27Å; L409-E413 PolarHBondContact O-N 3.31Å; L409-V427 HydrophobicContact CB-CG1 4.22Å; L409-V427 HydrophobicContact CB-CG2 4.38Å; L409-V427 HydrophobicContact CD1-CG2 4.27Å
410L90.6Very high76Confident0 Ų059.3 Ų59.30%028%0.281CS..Hα-helixtrans-64.5-50.6178.9-75.9168.6000111.7L406 G407 Y412 E413 V414 Y428 I431 L571 L572 L575 L577L406-L410 WeakPolarHBondContact O-CB 3.47Å; L406-L410 WeakPolarHBondContact O-CG 3.38Å; L406-L410 PolarHBondContact O-N 3.08Å; G407-L410 PolarHBondContact O-N 3.42Å; L410-Y412 VanDerWaalsContact C-N 3.26Å; L410-Y412 PolarHBondContact O-N 2.62Å; L410-E413 PolarHBondContact O-N 2.89Å; L410-V414 WeakPolarHBondContact O-CB 3.46Å; L410-V414 VanDerWaalsContact O-CG2 3.26Å; L410-V414 WeakPolarHBondContact O-CG2 3.38Å; L410-V414 PolarHBondContact O-N 3.38Å; L410-Y428 HydrophobicContact CD2-CD2 3.99Å; L410-Y428 HydrophobicContact CD2-CG 4.36Å; L410-I431 HydrophobicContact CD1-CD1 4.09Å; L410-I431 HydrophobicContact CD2-CD1 3.87Å; L410-I431 HydrophobicContact CG-CD1 3.77Å; L410-L571 HydrophobicContact CD1-CD2 3.66Å; L410-L571 HydrophobicContact CD1-CG 4.08Å; L410-L572 HydrophobicContact CD1-CD2 3.91Å; L410-L572 HydrophobicContact CD2-CD2 4.2Å; L410-L575 HydrophobicContact CB-CD1 3.85Å; L410-L577 HydrophobicContact CD2-CD1 4.41Å
411R87.2Confident75.6Confident29 Ų2957.9 Ų57.911%0.10928%0.275CS..Hα-helixtrans-60.7-38.1177.6-72-178.7-168.8-88.73.5111.9E278 I279 D284 G407 K415 L575E278-R411 VanDerWaalsContact CD-NH1 3.25Å; E278-R411 IonicContact OE1-CZ 3.08Å; E278-R411 IonicContact OE1-NH1 2.66Å; E278-R411 PolarHBondContact OE1-NH1 3.45Å; I279-R411 PolarHBondContact O-NH2 2.9Å; D284-R411 IonicContact OD1-CZ 2.74Å; D284-R411 IonicContact OD1-NE 3.93Å; D284-R411 PolarHBondContact OD1-NE 2.85Å; D284-R411 IonicContact OD1-NH2 2.7Å; D284-R411 PolarHBondContact OD1-NH2 3.29Å; D284-R411 IonicContact OD2-CZ 3.65Å; D284-R411 IonicContact OD2-NE 3.86Å; D284-R411 IonicContact OD2-NH2 3.86Å; D284-R411 PolarHBondContact OD2-NH2 3.27Å; G407-R411 WeakPolarHBondContact O-CB 3.1Å; G407-R411 WeakPolarHBondContact O-CG 3.45Å; G407-R411 PolarHBondContact O-N 3.13Å; R411-K415 WeakPolarHBondContact O-CB 3.35Å; R411-K415 PolarHBondContact O-N 3.4Å; R411-L575 HydrophobicContact CG-CD1 4.17Å; R411-L575 HydrophobicContact CG-CD2 3.82Å
412Y86.1Confident75.3Confident89 Ų8961.8 Ų61.835%0.34929%0.294SS..Hα-helixtrans-63.5-49176.3-174.9-87.8000111.6H349 Y408 L409 L410 K415 H416H349-Y412 AromaticContact CE1-CD1 3.2Å; H349-Y412 WeakPolarHBondContact CE1-CD1 3.49Å; H349-Y412 AromaticContact CE1-CD2 3.49Å; H349-Y412 VanDerWaalsContact CE1-CD2 3.49Å; H349-Y412 WeakPolarHBondContact CE1-CD2 3.4Å; H349-Y412 AromaticContact CE1-CE1 3.3Å; H349-Y412 WeakPolarHBondContact CE1-CE1 3.33Å; H349-Y412 AromaticContact CE1-CE2 3.58Å; H349-Y412 AromaticContact CE1-CG 3.3Å; H349-Y412 AromaticContact CE1-CZ 3.48Å; H349-Y412 VanDerWaalsContact CE1-CZ 3.48Å; H349-Y412 AromaticContact NE2-CD1 3.28Å; H349-Y412 VanDerWaalsContact NE2-CD1 3.28Å; H349-Y412 WeakPolarHBondContact NE2-CD1 3.39Å; H349-Y412 AromaticContact NE2-CE1 3.54Å; H349-Y412 AromaticContact NE2-CG 3.72Å; Y408-Y412 WeakPolarHBondContact O-CB 3.41Å; Y408-Y412 PolarHBondContact O-N 2.74Å; L409-Y412 PolarHBondContact O-N 3.27Å; L410-Y412 VanDerWaalsContact C-N 3.26Å; L410-Y412 PolarHBondContact O-N 2.62Å; Y412-K415 PolarHBondContact O-N 2.83Å; Y412-H416 AromaticContact CD1-ND1 3.94Å; Y412-H416 AromaticContact CD2-CE1 3.45Å; Y412-H416 VanDerWaalsContact CD2-CE1 3.45Å; Y412-H416 WeakPolarHBondContact CD2-CE1 3.43Å; Y412-H416 AromaticContact CD2-ND1 3.65Å; Y412-H416 AromaticContact CE1-ND1 3.89Å; Y412-H416 AromaticContact CE2-CE1 3.2Å; Y412-H416 WeakPolarHBondContact CE2-CE1 3.5Å; Y412-H416 AromaticContact CE2-ND1 3.59Å; Y412-H416 AromaticContact CE2-NE2 3.74Å; Y412-H416 AromaticContact CG-ND1 3.84Å; Y412-H416 AromaticContact CZ-CE1 3.68Å; Y412-H416 AromaticContact CZ-ND1 3.71Å; Y412-H416 AromaticContact CZ-NE2 3.98Å; Y412-H416 PolarHBondContact O-N 3.07Å; Y412-H416 VanDerWaalsContact O-N 3.15Å; Y412-H416 PolarHBondContact O-ND1 3.23Å
413E86.3Confident75.4Confident15 Ų1562.7 Ų62.77%0.0729%0.294CS..Hα-helixtrans-62.9-45.9178.5-171.5176.8-178.100111.3L409 L410 K415 H416 R417 S426 V427 Y428L409-E413 PolarHBondContact O-N 3.31Å; L410-E413 PolarHBondContact O-N 2.89Å; E413-K415 VanDerWaalsContact C-N 3.29Å; E413-K415 PolarHBondContact O-N 2.75Å; E413-H416 PolarHBondContact O-N 3.07Å; E413-R417 HydrophobicContact CG-CB 4.36Å; E413-R417 WeakPolarHBondContact O-CB 3.39Å; E413-R417 PolarHBondContact O-N 3.13Å; E413-R417 IonicContact OE1-CZ 2.99Å; E413-R417 IonicContact OE1-NH1 3.56Å; E413-R417 PolarHBondContact OE1-NH1 3.44Å; E413-S426 VanDerWaalsContact CD-OG 3.29Å; E413-S426 VanDerWaalsContact OE1-CA 3.31Å; E413-S426 WeakPolarHBondContact OE1-CA 3.37Å; E413-S426 WeakPolarHBondContact OE1-CB 3.29Å; E413-S426 PolarHBondContact OE1-OG 2.71Å; E413-S426 PolarHBondContact OE2-OG 2.65Å; E413-V427 HydrophobicContact CB-CG1 4.1Å; E413-V427 WeakPolarHBondContact OE2-CG1 3.35Å; E413-V427 PolarHBondContact OE2-N 3.16Å; E413-Y428 PolarHBondContact OE2-N 3.27Å
414V85.1Confident75.1Confident50 Ų5059.5 Ų59.530%0.30328%0.283SS..Hα-helixtrans-57.9-42.1177.8171.30000111.3L410 I420 L577L410-V414 WeakPolarHBondContact O-CB 3.46Å; L410-V414 VanDerWaalsContact O-CG2 3.26Å; L410-V414 WeakPolarHBondContact O-CG2 3.38Å; L410-V414 PolarHBondContact O-N 3.38Å; V414-I420 HydrophobicContact CG2-CD1 4.32Å; V414-L577 HydrophobicContact CG2-CD1 4.03Å; V414-L577 HydrophobicContact CG2-CD2 4.18Å
415K83.1Confident74.8Confident164 Ų16463.7 Ų63.771%0.71331%0.306SS*.Hα-helixtrans-69-32.8-179.6-177.4173.4180175.20113.6R411 Y412 E413R411-K415 WeakPolarHBondContact O-CB 3.35Å; R411-K415 PolarHBondContact O-N 3.4Å; Y412-K415 PolarHBondContact O-N 2.83Å; E413-K415 VanDerWaalsContact C-N 3.29Å; E413-K415 PolarHBondContact O-N 2.75Å
416H75.9Confident74.8Confident113 Ų11362.8 Ų62.852%0.52330%0.3SS..Hα-helixtrans-104-4.2-171.3-64.482.4000113.9Y412 E413Y412-H416 AromaticContact CD1-ND1 3.94Å; Y412-H416 AromaticContact CD2-CE1 3.45Å; Y412-H416 VanDerWaalsContact CD2-CE1 3.45Å; Y412-H416 WeakPolarHBondContact CD2-CE1 3.43Å; Y412-H416 AromaticContact CD2-ND1 3.65Å; Y412-H416 AromaticContact CE1-ND1 3.89Å; Y412-H416 AromaticContact CE2-CE1 3.2Å; Y412-H416 WeakPolarHBondContact CE2-CE1 3.5Å; Y412-H416 AromaticContact CE2-ND1 3.59Å; Y412-H416 AromaticContact CE2-NE2 3.74Å; Y412-H416 AromaticContact CG-ND1 3.84Å; Y412-H416 AromaticContact CZ-CE1 3.68Å; Y412-H416 AromaticContact CZ-ND1 3.71Å; Y412-H416 AromaticContact CZ-NE2 3.98Å; Y412-H416 PolarHBondContact O-N 3.07Å; Y412-H416 VanDerWaalsContact O-N 3.15Å; Y412-H416 PolarHBondContact O-ND1 3.23Å; E413-H416 PolarHBondContact O-N 3.07Å
417R70.7Confident74.8Confident64 Ų6462.9 Ų62.924%0.24230%0.3CS..  trans-119107-175.3-157.5179.1-1771559.4110.8E413 S419 N423E413-R417 HydrophobicContact CG-CB 4.36Å; E413-R417 WeakPolarHBondContact O-CB 3.39Å; E413-R417 PolarHBondContact O-N 3.13Å; E413-R417 IonicContact OE1-CZ 2.99Å; E413-R417 IonicContact OE1-NH1 3.56Å; E413-R417 PolarHBondContact OE1-NH1 3.44Å; R417-S419 WeakPolarHBondContact CG-O 3.26Å; R417-S419 PolarHBondContact NE-O 3.15Å; R417-S419 PolarHBondContact O-N 3.29Å; R417-S419 VanDerWaalsContact O-N 3.16Å; R417-N423 VanDerWaalsContact NH2-CB 3.32Å; R417-N423 PolarHBondContact NH2-ND2 3.18Å
418E53.7Low75.1Confident207 Ų20763.2 Ų63.297%0.96730%0.302SS*.SBendtrans-63.1-19.1180-67.7179.1164.900113.7
419S52.1Low75.3Confident57 Ų5759.1 Ų59.140%0.39929%0.286SS..  trans-148.8121.9169.957.60000112.1R417 Q421R417-S419 WeakPolarHBondContact CG-O 3.26Å; R417-S419 PolarHBondContact NE-O 3.15Å; R417-S419 PolarHBondContact O-N 3.29Å; R417-S419 VanDerWaalsContact O-N 3.16Å; S419-Q421 VanDerWaalsContact C-N 3.29Å; S419-Q421 PolarHBondContact O-N 3.34Å; S419-Q421 PolarHBondContact OG-NE2 2.9Å
420I54.6Low75.5Confident60 Ų6059.1 Ų59.131%0.30829%0.286SS..  trans-78.483.2172.7-56.7175.4000107.7V414 Y428 L577V414-I420 HydrophobicContact CG2-CD1 4.32Å; I420-Y428 HydrophobicContact CD1-CD1 4.46Å; I420-Y428 HydrophobicContact CG2-CD1 3.2Å; I420-Y428 HydrophobicContact CG2-CE1 3.36Å; I420-Y428 HydrophobicContact CG2-CG 4.33Å; I420-L577 HydrophobicContact CD1-CD2 3.4Å
421Q52Low75.8Confident25 Ų2559.1 Ų59.112%0.11729%0.286CS..  trans-79.3156.1169-76.6152.712.500110.2Q111 D114 S419 N423Q111-Q421 HydrophobicContact CG-CG 4.48Å; D114-Q421 PolarHBondContact OD2-OE1 2.97Å; S419-Q421 VanDerWaalsContact C-N 3.29Å; S419-Q421 PolarHBondContact O-N 3.34Å; S419-Q421 PolarHBondContact OG-NE2 2.9Å; Q421-N423 PolarHBondContact O-N 3.49Å
422E54.7Low76.1Confident130 Ų13057.8 Ų57.861%0.60728%0.281SS*.  trans-67.553.5174-59.1-161.4145.500112.1M429E422-M429 HydrophobicContact CB-CE 4.03Å; E422-M429 HydrophobicContact CG-CE 3.67Å
423N60.5Low76.5Confident49 Ų4955.8 Ų55.826%0.26227%0.273SS..  trans-84.3135.4179.3-163.7-19.4000108.4R417 Q421 N425 S426R417-N423 VanDerWaalsContact NH2-CB 3.32Å; R417-N423 PolarHBondContact NH2-ND2 3.18Å; Q421-N423 PolarHBondContact O-N 3.49Å; N423-N425 PolarHBondContact O-N 3.25Å; N423-S426 WeakPolarHBondContact O-CB 3.22Å; N423-S426 PolarHBondContact O-N 3.21Å
424T60.5Low77Confident56 Ų5655 Ų5534%0.34427%0.27SS..THydrogen-bonded Turntrans-58.3-17.6179.449.70000113.4
425N75.2Confident77.5Confident107 Ų10752.7 Ų52.757%0.57226%0.255SS*.THydrogen-bonded Turntrans-100.514.3-179.3-58.8-4.4000113.1H345 N423H345-N425 PolarHBondContact CE1-O 2.86Å; H345-N425 PolarHBondContact NE2-O 3.49Å; N423-N425 PolarHBondContact O-N 3.25Å
426S88.7Confident78.1Confident1 Ų145.9 Ų45.91%0.00723%0.225CC..  trans-85.6122.8173.7175.20000110.5E413 N423 Y428 M429 A430E413-S426 VanDerWaalsContact CD-OG 3.29Å; E413-S426 VanDerWaalsContact OE1-CA 3.31Å; E413-S426 WeakPolarHBondContact OE1-CA 3.37Å; E413-S426 WeakPolarHBondContact OE1-CB 3.29Å; E413-S426 PolarHBondContact OE1-OG 2.71Å; E413-S426 PolarHBondContact OE2-OG 2.65Å; N423-S426 WeakPolarHBondContact O-CB 3.22Å; N423-S426 PolarHBondContact O-N 3.21Å; S426-Y428 VanDerWaalsContact C-N 3.28Å; S426-Y428 PolarHBondContact O-N 3.41Å; S426-Y428 PolarHBondContact OG-N 3.32Å; S426-M429 PolarHBondContact O-N 2.9Å; S426-M429 PolarHBondContact OG-N 2.96Å; S426-A430 WeakPolarHBondContact O-CB 3.48Å; S426-A430 PolarHBondContact O-N 3.31Å
427V91.1Very high79Confident1 Ų141.3 Ų41.31%0.00620%0.203CC..Hα-helixtrans-66.6-35.6175.571.80000110.7I342 H345 L409 E413 A430 I431I342-V427 HydrophobicContact CB-CG2 4.42Å; I342-V427 HydrophobicContact CG1-CG2 3.92Å; H345-V427 HydrophobicContact CB-CB 4.28Å; H345-V427 HydrophobicContact CB-CG2 4.15Å; L409-V427 HydrophobicContact CB-CG1 4.22Å; L409-V427 HydrophobicContact CB-CG2 4.38Å; L409-V427 HydrophobicContact CD1-CG2 4.27Å; E413-V427 HydrophobicContact CB-CG1 4.1Å; E413-V427 WeakPolarHBondContact OE2-CG1 3.35Å; E413-V427 PolarHBondContact OE2-N 3.16Å; V427-A430 PolarHBondContact O-N 3.35Å; V427-I431 HydrophobicContact CG2-CD1 4Å; V427-I431 HydrophobicContact CG2-CG1 4.44Å; V427-I431 VanDerWaalsContact O-CG1 3.27Å; V427-I431 WeakPolarHBondContact O-CG1 3.48Å; V427-I431 PolarHBondContact O-N 3.35Å
428Y92.8Very high80.2Confident7 Ų738.2 Ų38.23%0.02719%0.192CC..Hα-helixtrans-58-53171.3157.6-108.3000112.2L410 E413 I420 S426 A430 I431 L432 L572 L577 N578L410-Y428 HydrophobicContact CD2-CD2 3.99Å; L410-Y428 HydrophobicContact CD2-CG 4.36Å; E413-Y428 PolarHBondContact OE2-N 3.27Å; I420-Y428 HydrophobicContact CD1-CD1 4.46Å; I420-Y428 HydrophobicContact CG2-CD1 3.2Å; I420-Y428 HydrophobicContact CG2-CE1 3.36Å; I420-Y428 HydrophobicContact CG2-CG 4.33Å; S426-Y428 VanDerWaalsContact C-N 3.28Å; S426-Y428 PolarHBondContact O-N 3.41Å; S426-Y428 PolarHBondContact OG-N 3.32Å; Y428-A430 PolarHBondContact O-N 2.96Å; Y428-I431 PolarHBondContact O-N 2.86Å; Y428-L432 HydrophobicContact CE1-CD2 4.49Å; Y428-L432 HydrophobicContact CE2-CB 4.19Å; Y428-L432 HydrophobicContact CE2-CD2 4.23Å; Y428-L432 WeakPolarHBondContact O-CB 3.48Å; Y428-L432 PolarHBondContact O-N 3.1Å; Y428-L572 HydrophobicContact CD2-CD2 4Å; Y428-L572 HydrophobicContact CE2-CD2 4.02Å; Y428-L577 HydrophobicContact CD2-CB 4.36Å; Y428-L577 HydrophobicContact CD2-CD1 3.64Å; Y428-L577 HydrophobicContact CD2-CD2 4.31Å; Y428-L577 HydrophobicContact CD2-CG 4.32Å; Y428-L577 HydrophobicContact CE2-CB 3.62Å; Y428-L577 HydrophobicContact CE2-CD1 3.8Å; Y428-L577 HydrophobicContact CE2-CD2 4.04Å; Y428-L577 HydrophobicContact CE2-CG 4.02Å; Y428-L577 HydrophobicContact CG-CD1 4.4Å; Y428-N578 WeakPolarHBondContact OH-CB 3.45Å; Y428-N578 PolarHBondContact OH-N 2.81Å; Y428-N578 PolarHBondContact OH-ND2 3.47Å; Y428-N578 VanDerWaalsContact OH-ND2 3.11Å
429M91.8Very high82.2Confident16 Ų1628.4 Ų28.48%0.07915%0.146CC..Hα-helixtrans-62.7-35.8-179.4-67.5-63.4-68.100111.3E422 S426 L432 W433E422-M429 HydrophobicContact CB-CE 4.03Å; E422-M429 HydrophobicContact CG-CE 3.67Å; S426-M429 PolarHBondContact O-N 2.9Å; S426-M429 PolarHBondContact OG-N 2.96Å; M429-L432 HydrophobicContact SD-CD2 4.42Å; M429-W433 VanDerWaalsContact O-CD1 3.28Å; M429-W433 PolarHBondContact O-N 3.5Å
430A93.8Very high84.2Confident1 Ų127.6 Ų27.61%0.00814%0.135CC..Hα-helixtrans-62.4-49.4174.600000112.3Y338 C341 I342 S426 V427 Y428 L434Y338-A430 HydrophobicContact CD1-CB 3.88Å; Y338-A430 HydrophobicContact CG-CB 4.26Å; C341-A430 HydrophobicContact CB-CB 4Å; I342-A430 HydrophobicContact CD1-CB 4.44Å; I342-A430 HydrophobicContact CG1-CB 4.06Å; S426-A430 WeakPolarHBondContact O-CB 3.48Å; S426-A430 PolarHBondContact O-N 3.31Å; V427-A430 PolarHBondContact O-N 3.35Å; Y428-A430 PolarHBondContact O-N 2.96Å; A430-L434 VanDerWaalsContact O-CB 3.3Å; A430-L434 WeakPolarHBondContact O-CB 3.49Å; A430-L434 WeakPolarHBondContact O-CD1 3.31Å; A430-L434 VanDerWaalsContact O-CG 3.29Å; A430-L434 WeakPolarHBondContact O-CG 3.41Å; A430-L434 PolarHBondContact O-N 2.9Å
431I95Very high86.1Confident0 Ų025.1 Ų25.10%012%0.123CC..Hα-helixtrans-60.9-47.7176.5-68.4165.4000110.3I342 L406 L410 V427 Y428 W433 L434 C435 I568I342-I431 HydrophobicContact CD1-CG1 3.69Å; I342-I431 HydrophobicContact CG1-CG1 4.1Å; L406-I431 HydrophobicContact CD2-CD1 3.82Å; L406-I431 HydrophobicContact CD2-CG1 4.2Å; L410-I431 HydrophobicContact CD1-CD1 4.09Å; L410-I431 HydrophobicContact CD2-CD1 3.87Å; L410-I431 HydrophobicContact CG-CD1 3.77Å; V427-I431 HydrophobicContact CG2-CD1 4Å; V427-I431 HydrophobicContact CG2-CG1 4.44Å; V427-I431 VanDerWaalsContact O-CG1 3.27Å; V427-I431 WeakPolarHBondContact O-CG1 3.48Å; V427-I431 PolarHBondContact O-N 3.35Å; Y428-I431 PolarHBondContact O-N 2.86Å; I431-W433 PolarHBondContact O-N 2.96Å; I431-L434 PolarHBondContact O-N 3.43Å; I431-C435 VanDerWaalsContact O-CB 3.31Å; I431-C435 WeakPolarHBondContact O-CB 3.21Å; I431-C435 PolarHBondContact O-N 2.91Å; I431-C435 PolarHBondContact O-SG 3.4Å; I431-I568 HydrophobicContact CG2-CG2 4.1Å
432L94.7Very high88Confident1 Ų124.3 Ų24.31%0.00512%0.119CC..Hα-helixtrans-57.5-52.4-178.517764.5000112Y428 M429 C435 R436 L572 N578 I580Y428-L432 HydrophobicContact CE1-CD2 4.49Å; Y428-L432 HydrophobicContact CE2-CB 4.19Å; Y428-L432 HydrophobicContact CE2-CD2 4.23Å; Y428-L432 WeakPolarHBondContact O-CB 3.48Å; Y428-L432 PolarHBondContact O-N 3.1Å; M429-L432 HydrophobicContact SD-CD2 4.42Å; L432-C435 PolarHBondContact O-N 3.25Å; L432-R436 WeakPolarHBondContact O-CG 3.36Å; L432-R436 PolarHBondContact O-N 3.45Å; L432-L572 HydrophobicContact CD1-CD1 4.18Å; L432-N578 HydrophobicContact CD1-CB 4.27Å; L432-N578 WeakPolarHBondContact CD1-O 3.38Å; L432-N578 HydrophobicContact CD2-CB 3.83Å; L432-I580 HydrophobicContact CD1-CG1 4.35Å
433W94.6Very high89.8Confident47 Ų4718.2 Ų18.218%0.1789%0.09CC..Hα-helixtrans-70.5-34.8-177.7-80107000112.6Y338 M429 I431 R436 W437 F484 H485Y338-W433 HydrophobicContact CD2-CB 3.99Å; Y338-W433 HydrophobicContact CE1-CB 4.18Å; Y338-W433 HydrophobicContact CE2-CB 3.4Å; Y338-W433 HydrophobicContact CE2-CG 4.13Å; Y338-W433 VanDerWaalsContact CZ-CB 3.5Å; Y338-W433 AromaticContact CZ-CD1 3.99Å; Y338-W433 AromaticContact CZ-CG 3.8Å; M429-W433 VanDerWaalsContact O-CD1 3.28Å; M429-W433 PolarHBondContact O-N 3.5Å; I431-W433 PolarHBondContact O-N 2.96Å; W433-R436 PolarHBondContact O-N 3.01Å; W433-W437 PolarHBondContact O-N 3.33Å; W433-F484 HydrophobicContact CH2-CB 4.01Å; W433-F484 HydrophobicContact CZ3-CB 4.25Å; W433-H485 AromaticContact CZ3-CD2 3.83Å; W433-H485 AromaticContact CZ3-NE2 3.91Å
434L95.9Very high91.3Very high0 Ų016.3 Ų16.30%08%0.08CC..Hα-helixtrans-62.6-46.4171.1-78.7168.3000111.4F291 L335 Y338 L339 I342 A430 I431 R436 W437 L438F291-L434 HydrophobicContact CE1-CD1 4.1Å; F291-L434 HydrophobicContact CZ-CB 4.09Å; F291-L434 HydrophobicContact CZ-CD1 4.41Å; L335-L434 HydrophobicContact CB-CD2 4.39Å; L335-L434 HydrophobicContact CD2-CD2 3.87Å; Y338-L434 HydrophobicContact CD2-CG 4.27Å; Y338-L434 HydrophobicContact CG-CG 4.31Å; L339-L434 HydrophobicContact CD2-CD1 3.67Å; L339-L434 HydrophobicContact CD2-CD2 4.1Å; L339-L434 HydrophobicContact CG-CD1 4.01Å; L339-L434 HydrophobicContact CG-CD2 4Å; I342-L434 HydrophobicContact CD1-CD1 3.58Å; A430-L434 VanDerWaalsContact O-CB 3.3Å; A430-L434 WeakPolarHBondContact O-CB 3.49Å; A430-L434 WeakPolarHBondContact O-CD1 3.31Å; A430-L434 VanDerWaalsContact O-CG 3.29Å; A430-L434 WeakPolarHBondContact O-CG 3.41Å; A430-L434 PolarHBondContact O-N 2.9Å; I431-L434 PolarHBondContact O-N 3.43Å; L434-R436 PolarHBondContact O-N 3.12Å; L434-W437 PolarHBondContact O-N 2.95Å; L434-L438 WeakPolarHBondContact O-CB 3.29Å; L434-L438 VanDerWaalsContact O-CG 3.31Å; L434-L438 WeakPolarHBondContact O-CG 3.3Å; L434-L438 PolarHBondContact O-N 3.47Å
435C96.3Very high92.8Very high0 Ų013.9 Ų13.90%07%0.065CC..Hα-helixtrans-64.3-37.8178.5-74.20000112.5I431 L432 W437 L438 N439 L565 I580I431-C435 VanDerWaalsContact O-CB 3.31Å; I431-C435 WeakPolarHBondContact O-CB 3.21Å; I431-C435 PolarHBondContact O-N 2.91Å; I431-C435 PolarHBondContact O-SG 3.4Å; L432-C435 PolarHBondContact O-N 3.25Å; C435-W437 VanDerWaalsContact C-N 3.35Å; C435-L438 PolarHBondContact O-N 3.05Å; C435-N439 WeakPolarHBondContact O-CB 3.3Å; C435-N439 PolarHBondContact O-N 3.4Å; C435-L565 HydrophobicContact CB-CD2 3.8Å; C435-I580 HydrophobicContact CB-CD1 3.5Å; C435-I580 VanDerWaalsContact CB-CD1 3.5Å; C435-I580 HydrophobicContact CB-CG1 3.69Å; C435-I580 HydrophobicContact CB-CG2 4.09Å
436R95.3Very high93.5Very high21 Ų2110.7 Ų10.78%0.0795%0.046CC..Hα-helixtrans-63.5-38.7172.6-75.8176.3175.2173.50.1112.5L432 W433 L434 N439 F440 L481 F484 R579 I580L432-R436 WeakPolarHBondContact O-CG 3.36Å; L432-R436 PolarHBondContact O-N 3.45Å; W433-R436 PolarHBondContact O-N 3.01Å; L434-R436 PolarHBondContact O-N 3.12Å; R436-N439 PolarHBondContact O-N 3.28Å; R436-F440 PolarHBondContact O-N 2.91Å; R436-L481 HydrophobicContact CB-CD2 3.97Å; R436-F484 HydrophobicContact CG-CD2 4.25Å; R436-F484 HydrophobicContact CG-CE2 4.2Å; R436-F484 VanDerWaalsContact NH2-CE1 3.29Å; R436-R579 PolarHBondContact NE-O 3.49Å; R436-R579 PolarHBondContact NH2-O 3.35Å; R436-I580 HydrophobicContact CG-CG2 4.42Å
437W95.4Very high93.5Very high17 Ų1711.8 Ų11.86%0.0645%0.051CC..Hα-helixtrans-66.9-44.4173169.172.3000112.1L298 L299 L302 L335 W433 L434 C435 N439 F440 V441L298-W437 HydrophobicContact CB-CH2 4.2Å; L298-W437 HydrophobicContact CD2-CH2 3.83Å; L298-W437 HydrophobicContact CD2-CZ3 4.15Å; L298-W437 HydrophobicContact CG-CH2 3.85Å; L299-W437 HydrophobicContact CD2-CH2 3.83Å; L299-W437 HydrophobicContact CD2-CZ2 4.04Å; L299-W437 HydrophobicContact CD2-CZ3 4.47Å; L299-W437 HydrophobicContact CG-CH2 4.47Å; L302-W437 HydrophobicContact CD1-CZ2 4.38Å; L335-W437 HydrophobicContact CD1-CD2 3.65Å; L335-W437 VanDerWaalsContact CD1-CE2 3.46Å; L335-W437 HydrophobicContact CD1-CE3 4.2Å; L335-W437 HydrophobicContact CD1-CG 3.96Å; L335-W437 HydrophobicContact CD1-CH2 4.4Å; L335-W437 HydrophobicContact CD1-CZ2 3.88Å; L335-W437 HydrophobicContact CD2-CB 3.76Å; L335-W437 HydrophobicContact CD2-CD2 3.69Å; L335-W437 HydrophobicContact CD2-CE3 3.94Å; L335-W437 HydrophobicContact CD2-CG 3.59Å; L335-W437 HydrophobicContact CG-CD2 4.34Å; L335-W437 HydrophobicContact CG-CG 4.44Å; W433-W437 PolarHBondContact O-N 3.33Å; L434-W437 PolarHBondContact O-N 2.95Å; C435-W437 VanDerWaalsContact C-N 3.35Å; W437-N439 VanDerWaalsContact C-N 3.27Å; W437-N439 PolarHBondContact O-N 3.48Å; W437-F440 WeakPolarHBondContact O-CB 3.41Å; W437-F440 PolarHBondContact O-N 3.36Å; W437-F440 VanDerWaalsContact O-N 3.11Å; W437-V441 HydrophobicContact CD2-CG2 4.27Å; W437-V441 HydrophobicContact CH2-CG2 4.47Å; W437-V441 HydrophobicContact CZ2-CG2 3.84Å; W437-V441 PolarHBondContact O-N 3.04Å
438L95.6Very high93.4Very high0 Ų011.9 Ų11.90%05%0.051CC..Hα-helixtrans-61.3-36.4175.7-72.4172.7000112F261 F291 L298 L434 C435 V441 R442 L561 L565F261-L438 HydrophobicContact CE1-CD1 4.08Å; F261-L438 HydrophobicContact CE2-CD1 4.47Å; F261-L438 HydrophobicContact CE2-CD2 3.92Å; F261-L438 HydrophobicContact CZ-CD1 3.62Å; F261-L438 HydrophobicContact CZ-CD2 3.87Å; F261-L438 HydrophobicContact CZ-CG 4.42Å; F291-L438 HydrophobicContact CE2-CD1 3.59Å; F291-L438 HydrophobicContact CZ-CD1 4.07Å; L298-L438 HydrophobicContact CD2-CD2 3.49Å; L298-L438 VanDerWaalsContact CD2-CD2 3.49Å; L434-L438 WeakPolarHBondContact O-CB 3.29Å; L434-L438 VanDerWaalsContact O-CG 3.31Å; L434-L438 WeakPolarHBondContact O-CG 3.3Å; L434-L438 PolarHBondContact O-N 3.47Å; C435-L438 PolarHBondContact O-N 3.05Å; L438-V441 PolarHBondContact O-N 3.09Å; L438-R442 PolarHBondContact O-N 3.12Å; L438-L561 HydrophobicContact CB-CD1 4.22Å; L438-L561 HydrophobicContact CB-CD2 4.49Å; L438-L561 HydrophobicContact CD1-CD1 4.42Å; L438-L561 HydrophobicContact CD2-CD1 4.27Å; L438-L561 HydrophobicContact CD2-CD2 4.49Å; L438-L565 HydrophobicContact CB-CD1 4.24Å; L438-L565 HydrophobicContact CB-CD2 3.99Å; L438-L565 HydrophobicContact CD1-CD2 4.47Å
439N94.8Very high93Very high1 Ų111.8 Ų11.81%0.0055%0.051CC..Hα-helixtrans-60.6-44.1172.9-173.436.5000111.5C435 R436 W437 V441 R442 E443 L565 I580 F581 E585C435-N439 WeakPolarHBondContact O-CB 3.3Å; C435-N439 PolarHBondContact O-N 3.4Å; R436-N439 PolarHBondContact O-N 3.28Å; W437-N439 VanDerWaalsContact C-N 3.27Å; W437-N439 PolarHBondContact O-N 3.48Å; N439-V441 VanDerWaalsContact C-N 3.35Å; N439-V441 PolarHBondContact O-N 3.15Å; N439-R442 WeakPolarHBondContact O-CB 3.5Å; N439-R442 PolarHBondContact O-N 3.2Å; N439-R442 PolarHBondContact OD1-NH1 2.95Å; N439-R442 PolarHBondContact OD1-NH2 3.47Å; N439-E443 PolarHBondContact O-N 2.83Å; N439-L565 HydrophobicContact CB-CD1 4.06Å; N439-I580 HydrophobicContact CB-CG2 4.1Å; N439-F581 HydrophobicContact CB-CE1 4.43Å; N439-F581 WeakPolarHBondContact OD1-CE1 3.39Å; N439-E585 PolarHBondContact ND2-OE1 3.28Å
440F94.6Very high92.3Very high39 Ų3914.9 Ų14.917%0.1717%0.074CC..Hα-helixtrans-59.5-43.5171.7164.8-98.3000112.4R436 W437 R442 E443 F444 A476 C480 L481R436-F440 PolarHBondContact O-N 2.91Å; W437-F440 WeakPolarHBondContact O-CB 3.41Å; W437-F440 PolarHBondContact O-N 3.36Å; W437-F440 VanDerWaalsContact O-N 3.11Å; F440-R442 VanDerWaalsContact C-N 3.34Å; F440-R442 PolarHBondContact O-N 2.93Å; F440-E443 PolarHBondContact O-N 3.05Å; F440-F444 HydrophobicContact CZ-CB 4.46Å; F440-F444 WeakPolarHBondContact O-CB 3.46Å; F440-F444 PolarHBondContact O-N 3.1Å; F440-A476 HydrophobicContact CD2-CB 4.05Å; F440-A476 HydrophobicContact CE2-CB 3.96Å; F440-C480 HydrophobicContact CB-CB 3.93Å; F440-L481 HydrophobicContact CB-CD1 3.61Å; F440-L481 HydrophobicContact CB-CG 3.9Å; F440-L481 HydrophobicContact CD1-CD1 4.23Å; F440-L481 HydrophobicContact CD2-CD1 4.28Å; F440-L481 HydrophobicContact CG-CD1 3.77Å; F440-L481 HydrophobicContact CG-CG 4.48Å
441V93.9Very high91.3Very high8 Ų816.5 Ų16.55%0.0489%0.085CC..Hα-helixtrans-61.6-43.4177.7175.30000111.1L298 W437 L438 N439 F444 I445L298-V441 HydrophobicContact CD1-CG1 4.24Å; L298-V441 HydrophobicContact CD2-CB 4.4Å; L298-V441 HydrophobicContact CD2-CG1 3.92Å; L298-V441 HydrophobicContact CD2-CG2 4.39Å; L298-V441 HydrophobicContact CG-CG1 4.48Å; W437-V441 HydrophobicContact CD2-CG2 4.27Å; W437-V441 HydrophobicContact CH2-CG2 4.47Å; W437-V441 HydrophobicContact CZ2-CG2 3.84Å; W437-V441 PolarHBondContact O-N 3.04Å; L438-V441 PolarHBondContact O-N 3.09Å; N439-V441 VanDerWaalsContact C-N 3.35Å; N439-V441 PolarHBondContact O-N 3.15Å; V441-F444 PolarHBondContact O-N 2.6Å; V441-I445 HydrophobicContact CG1-CD1 3.67Å; V441-I445 HydrophobicContact CG1-CG1 4.32Å; V441-I445 VanDerWaalsContact O-CG1 3.27Å; V441-I445 WeakPolarHBondContact O-CG1 3.31Å; V441-I445 PolarHBondContact O-N 3.19Å
442R92.8Very high89.8Confident9 Ų921.2 Ų21.23%0.03412%0.115CC..Hα-helixtrans-56.9-56.6175.4-175.4-160.974.3-163.23111.5L438 N439 F440 F444 I445 H446 S558 L561 G562L438-R442 PolarHBondContact O-N 3.12Å; N439-R442 WeakPolarHBondContact O-CB 3.5Å; N439-R442 PolarHBondContact O-N 3.2Å; N439-R442 PolarHBondContact OD1-NH1 2.95Å; N439-R442 PolarHBondContact OD1-NH2 3.47Å; F440-R442 VanDerWaalsContact C-N 3.34Å; F440-R442 PolarHBondContact O-N 2.93Å; R442-F444 VanDerWaalsContact C-N 3.28Å; R442-F444 PolarHBondContact O-N 3.18Å; R442-I445 PolarHBondContact O-N 3.29Å; R442-H446 PolarHBondContact O-N 3.41Å; R442-S558 WeakPolarHBondContact CG-O 3.42Å; R442-S558 WeakPolarHBondContact CG-OG 3.22Å; R442-S558 PolarHBondContact O-OG 3.41Å; R442-L561 HydrophobicContact CB-CD2 4.02Å; R442-L561 HydrophobicContact CB-CG 4.34Å; R442-G562 VanDerWaalsContact CD-CA 3.48Å
443E92Very high88Confident1 Ų123.7 Ų23.71%0.00513%0.129CC..Hα-helixtrans-61.1-38.7-179.8-75.7-57.6122.900111.9N439 F440 H446 H447 A476 C480 E585 S586N439-E443 PolarHBondContact O-N 2.83Å; F440-E443 PolarHBondContact O-N 3.05Å; E443-H446 PolarHBondContact O-N 3.02Å; E443-H447 PolarHBondContact O-CD2 2.77Å; E443-H447 PolarHBondContact O-N 3.38Å; E443-H447 IonicContact OE2-NE2 3.16Å; E443-A476 HydrophobicContact CB-CB 3.93Å; E443-C480 WeakPolarHBondContact CG-SG 3.48Å; E443-E585 HydrophobicContact CG-CG 4.39Å; E443-S586 PolarHBondContact OE2-OG 3.16Å
444F93Very high86Confident9 Ų923 Ų234%0.03913%0.13CC..Hα-helixtrans-61.7-47.4176.5175.7-100000111.8F301 F440 V441 R442 L448 L469 I472 A473 A476 L506F301-F444 HydrophobicContact CE1-CE1 4.33Å; F301-F444 AromaticContact CZ-CE1 3.8Å; F301-F444 HydrophobicContact CZ-CE1 3.8Å; F440-F444 HydrophobicContact CZ-CB 4.46Å; F440-F444 WeakPolarHBondContact O-CB 3.46Å; F440-F444 PolarHBondContact O-N 3.1Å; V441-F444 PolarHBondContact O-N 2.6Å; R442-F444 VanDerWaalsContact C-N 3.28Å; R442-F444 PolarHBondContact O-N 3.18Å; F444-L448 HydrophobicContact CE1-CD2 4.37Å; F444-L448 WeakPolarHBondContact O-CB 3.38Å; F444-L448 PolarHBondContact O-N 3.47Å; F444-L469 HydrophobicContact CE2-CD1 3.9Å; F444-L469 HydrophobicContact CZ-CD1 3.75Å; F444-I472 HydrophobicContact CD2-CG2 4Å; F444-I472 HydrophobicContact CE2-CG2 4.06Å; F444-A473 HydrophobicContact CD2-CB 4.12Å; F444-A473 HydrophobicContact CE2-CB 3.89Å; F444-A476 HydrophobicContact CB-CB 4.04Å; F444-L506 HydrophobicContact CE1-CD2 4.08Å; F444-L506 HydrophobicContact CZ-CD2 3.8Å
445I91.9Very high83.8Confident5 Ų526.5 Ų26.53%0.02616%0.155CC..Hα-helixtrans-63.4-42.9177-67.6166.1000110.7F254 V441 R442 L448 F449 A554 Y557F254-I445 HydrophobicContact CE1-CD1 3.62Å; F254-I445 HydrophobicContact CE1-CG1 4.47Å; F254-I445 HydrophobicContact CZ-CD1 3.79Å; F254-I445 HydrophobicContact CZ-CG1 4.15Å; V441-I445 HydrophobicContact CG1-CD1 3.67Å; V441-I445 HydrophobicContact CG1-CG1 4.32Å; V441-I445 VanDerWaalsContact O-CG1 3.27Å; V441-I445 WeakPolarHBondContact O-CG1 3.31Å; V441-I445 PolarHBondContact O-N 3.19Å; R442-I445 PolarHBondContact O-N 3.29Å; I445-L448 WeakPolarHBondContact O-CB 3.48Å; I445-L448 PolarHBondContact O-N 3.31Å; I445-F449 HydrophobicContact CG2-CD2 4.36Å; I445-F449 HydrophobicContact CG2-CE2 4.44Å; I445-F449 WeakPolarHBondContact O-CD2 3.46Å; I445-F449 PolarHBondContact O-N 3.25Å; I445-A554 HydrophobicContact CG2-CB 3.84Å; I445-A554 WeakPolarHBondContact CG2-O 3.26Å; I445-Y557 HydrophobicContact CD1-CD1 4.12Å; I445-Y557 HydrophobicContact CD1-CE1 4.41Å
446H88.9Confident81.5Confident41 Ų4130.4 Ų30.419%0.1918%0.182CC..Hα-helixtrans-58.1-54.2177.9-179.672.6000111.4R442 E443 L448 F449 C450 Y587R442-H446 PolarHBondContact O-N 3.41Å; E443-H446 PolarHBondContact O-N 3.02Å; H446-L448 VanDerWaalsContact C-N 3.27Å; H446-L448 PolarHBondContact O-N 2.9Å; H446-F449 PolarHBondContact O-N 2.74Å; H446-C450 PolarHBondContact CE1-SG 2.85Å; H446-C450 VanDerWaalsContact O-CB 3.31Å; H446-C450 WeakPolarHBondContact O-CB 3.46Å; H446-C450 PolarHBondContact O-N 3.24Å; H446-C450 PolarHBondContact O-SG 3.37Å; H446-Y587 AromaticContact CE1-CE2 3.56Å; H446-Y587 AromaticContact ND1-CE2 3.92Å
447H89Confident78.9Confident24 Ų2435.9 Ų35.911%0.11121%0.212CC..Hα-helixtrans-64-31.6178-76.5-61.7000112.9E443 F449 S451 I472 R479E443-H447 PolarHBondContact O-CD2 2.77Å; E443-H447 PolarHBondContact O-N 3.38Å; E443-H447 IonicContact OE2-NE2 3.16Å; H447-F449 PolarHBondContact O-N 2.82Å; H447-S451 VanDerWaalsContact O-CB 3.25Å; H447-S451 WeakPolarHBondContact O-CB 3.45Å; H447-S451 PolarHBondContact O-N 3.42Å; H447-S451 PolarHBondContact O-OG 3.43Å; H447-S451 VanDerWaalsContact O-OG 3.11Å; H447-I472 HydrophobicContact CB-CG2 3.72Å; H447-R479 PolarHBondContact CE1-NH1 3.39Å; H447-R479 PolarHBondContact NE2-NH1 3.4Å
448L89.1Confident76.3Confident2 Ų240.4 Ų40.41%0.0124%0.242CC..Hα-helixtrans-58.7-28.3177-176.563.7000113.4F444 I445 H446 L469 R503 L506 F507 L510F444-L448 HydrophobicContact CE1-CD2 4.37Å; F444-L448 WeakPolarHBondContact O-CB 3.38Å; F444-L448 PolarHBondContact O-N 3.47Å; I445-L448 WeakPolarHBondContact O-CB 3.48Å; I445-L448 PolarHBondContact O-N 3.31Å; H446-L448 VanDerWaalsContact C-N 3.27Å; H446-L448 PolarHBondContact O-N 2.9Å; L448-L469 HydrophobicContact CD1-CD1 3.67Å; L448-R503 HydrophobicContact CD1-CG 3.9Å; L448-R503 PolarHBondContact O-NE 3.11Å; L448-R503 PolarHBondContact O-NH2 3.44Å; L448-L506 HydrophobicContact CD1-CD2 4.07Å; L448-L506 HydrophobicContact CD2-CD2 3.86Å; L448-F507 HydrophobicContact CD1-CE1 3.88Å; L448-F507 HydrophobicContact CD1-CZ 4.21Å; L448-F507 HydrophobicContact CD2-CE1 4.1Å; L448-F507 HydrophobicContact CG-CE1 3.78Å; L448-F507 HydrophobicContact CG-CZ 4.38Å; L448-L510 HydrophobicContact CD2-CD1 4.28Å
449F84.8Confident73.5Confident6 Ų647.1 Ų47.13%0.02628%0.278CS..Hα-helixtrans-115.9-15-178.9-66.7-78.1000115I445 H446 H447 F507 Y547 L550 K551 A554I445-F449 HydrophobicContact CG2-CD2 4.36Å; I445-F449 HydrophobicContact CG2-CE2 4.44Å; I445-F449 WeakPolarHBondContact O-CD2 3.46Å; I445-F449 PolarHBondContact O-N 3.25Å; H446-F449 PolarHBondContact O-N 2.74Å; H447-F449 PolarHBondContact O-N 2.82Å; F449-F507 HydrophobicContact CD1-CE1 4.25Å; F449-F507 HydrophobicContact CE1-CD1 4.18Å; F449-F507 AromaticContact CE1-CE1 3.57Å; F449-F507 HydrophobicContact CE1-CE1 3.57Å; F449-F507 HydrophobicContact CE1-CZ 4.22Å; F449-F507 HydrophobicContact CZ-CD1 4.18Å; F449-F507 AromaticContact CZ-CE1 3.75Å; F449-F507 HydrophobicContact CZ-CE1 3.75Å; F449-Y547 HydrophobicContact CD1-CE2 4.34Å; F449-Y547 HydrophobicContact CE1-CE2 4.01Å; F449-L550 HydrophobicContact CE1-CD2 4.45Å; F449-L550 HydrophobicContact CE1-CG 4.22Å; F449-L550 HydrophobicContact CZ-CD2 4.17Å; F449-L550 HydrophobicContact CZ-CG 3.86Å; F449-K551 HydrophobicContact CB-CD 4.35Å; F449-K551 HydrophobicContact CB-CG 4.08Å; F449-K551 HydrophobicContact CD1-CB 3.67Å; F449-K551 HydrophobicContact CD1-CD 4.13Å; F449-K551 HydrophobicContact CD1-CG 3.71Å; F449-K551 HydrophobicContact CE1-CB 3.95Å; F449-K551 HydrophobicContact CE1-CG 4.48Å; F449-K551 HydrophobicContact CG-CB 4.41Å; F449-K551 HydrophobicContact CG-CG 4.08Å; F449-K551 PolarHBondContact O-NZ 2.92Å; F449-A554 HydrophobicContact CD2-CB 3.76Å; F449-A554 HydrophobicContact CE2-CB 3.25Å; F449-A554 HydrophobicContact CZ-CB 3.86Å
450C77.6Confident70.7Confident81 Ų8154.5 Ų54.555%0.54732%0.317SS..Hα-helixtrans-91.5-27.3175.3-71.30000113.4H446H446-C450 PolarHBondContact CE1-SG 2.85Å; H446-C450 VanDerWaalsContact O-CB 3.31Å; H446-C450 WeakPolarHBondContact O-CB 3.46Å; H446-C450 PolarHBondContact O-N 3.24Å; H446-C450 PolarHBondContact O-SG 3.37Å
451S72Confident68Low35 Ų3557.5 Ų57.525%0.24534%0.339CS..SBendtrans-67140.9174.1-68.90000111.1H447 D453 R503H447-S451 VanDerWaalsContact O-CB 3.25Å; H447-S451 WeakPolarHBondContact O-CB 3.45Å; H447-S451 PolarHBondContact O-N 3.42Å; H447-S451 PolarHBondContact O-OG 3.43Å; H447-S451 VanDerWaalsContact O-OG 3.11Å; S451-D453 PolarHBondContact O-N 3.37Å; S451-R503 PolarHBondContact O-NH2 3.33Å
452P63.5Low65.5Low98 Ų9864.9 Ų64.964%0.63638%0.377SS*.PPolyproline II helixtrans-51.6140.4-177.117.7-29.3000111.4R503P452-R503 PolarHBondContact O-NH1 3.44Å
453D57.2Low63.1Low53 Ų5372.1 Ų72.128%0.28342%0.416SS..PPolyproline II helixtrans-63140.1-178.6-72.5-39.5000109.5S451 S455 S456 Y547S451-D453 PolarHBondContact O-N 3.37Å; D453-S455 PolarHBondContact O-N 3.22Å; D453-S456 WeakPolarHBondContact O-CB 3.29Å; D453-S456 PolarHBondContact O-N 2.96Å; D453-S456 PolarHBondContact O-OG 3.16Å; D453-Y547 PolarHBondContact OD1-OH 3.29Å
454P52.2Low61Low33 Ų3375.9 Ų75.921%0.21444%0.443CS..G310 helixtrans-60.3-20.5-179.521.4-30.4000112.9S456 L457P454-S456 VanDerWaalsContact C-N 3.25Å; P454-S456 PolarHBondContact O-N 3.19Å; P454-L457 PolarHBondContact O-N 3.38Å
455S49.8Very low59.3Low74 Ų7479.4 Ų79.452%0.51747%0.474SS..G310 helixtrans-70.3-13.7172.548.40000114.3D453 L457 T458D453-S455 PolarHBondContact O-N 3.22Å; S455-L457 VanDerWaalsContact C-N 3.3Å; S455-T458 VanDerWaalsContact O-CG2 3.26Å; S455-T458 WeakPolarHBondContact O-CG2 3.45Å; S455-T458 PolarHBondContact O-OG1 3.21Å
456S47.2Very low58Low81 Ų8181.7 Ų81.757%0.56649%0.486SS*.G310 helixtrans-80.5-9.517365.90000113.6D453 P454 T458D453-S456 WeakPolarHBondContact O-CB 3.29Å; D453-S456 PolarHBondContact O-N 2.96Å; D453-S456 PolarHBondContact O-OG 3.16Å; P454-S456 VanDerWaalsContact C-N 3.25Å; P454-S456 PolarHBondContact O-N 3.19Å; S456-T458 VanDerWaalsContact C-N 3.32Å
457L41.7Very low57.3Low137 Ų13784 Ų8472%0.71750%0.503SS*.G310 helixtrans-93.820.8175.9-79.1141.3000112.6P454 S455 N459P454-L457 PolarHBondContact O-N 3.38Å; S455-L457 VanDerWaalsContact C-N 3.3Å; L457-N459 PolarHBondContact O-N 2.97Å
458T40.6Very low57Low111 Ų11184.1 Ų84.168%0.68151%0.506SS*.  trans-72.967.7173.8560000111.1S455 S456S455-T458 VanDerWaalsContact O-CG2 3.26Å; S455-T458 WeakPolarHBondContact O-CG2 3.45Å; S455-T458 PolarHBondContact O-OG1 3.21Å; S456-T458 VanDerWaalsContact C-N 3.32Å
459N36.9Very low57Low142 Ų14284 Ų8476%0.75951%0.506SS*.SBendtrans-14296.6156.3-81.5-32.9000107.1L457L457-N459 PolarHBondContact O-N 2.97Å
460N36.6Very low57.2Low155 Ų15585.5 Ų85.583%0.82952%0.515SS*.SBendtrans81.127.6150-56.7-21.5000122.8
461T36.9Very low57.8Low103 Ų10385.7 Ų85.763%0.63251%0.514SS*.  trans-144.786.2158.438.60000112.6N463T461-N463 PolarHBondContact O-N 3.32Å; T461-N463 VanDerWaalsContact O-N 3.07Å
462L42.9Very low58.8Low162 Ų16284.3 Ų84.385%0.84850%0.504SS*.THydrogen-bonded Turntrans-68.8-0.4177.6-141.376.1000114.1
463N41.3Very low60.2Low161 Ų16179.7 Ų79.786%0.86147%0.474SS*.THydrogen-bonded Turntrans-123.15.4-171.6-68.2-17000115T461T461-N463 PolarHBondContact O-N 3.32Å; T461-N463 VanDerWaalsContact O-N 3.07Å
464S47.1Very low61.9Low80 Ų8079.9 Ų79.956%0.55948%0.475SS*.SBendtrans-87.9124.9175.3570000110.8D466S464-D466 PolarHBondContact O-N 3.03Å
465A57.2Low63.7Low83 Ų8381.6 Ų81.669%0.68648%0.481SS*.  trans-52.6134.9172.700000110.4T467A465-T467 PolarHBondContact O-N 3.34Å
466D66.4Low65.8Low54 Ų5478.1 Ų78.129%0.28946%0.456SS..  trans-6792.7178.1176.419.3000110.2S464 S468 R503S464-D466 PolarHBondContact O-N 3.03Å; D466-S468 VanDerWaalsContact C-N 3.26Å; D466-S468 WeakPolarHBondContact OD1-CB 3.42Å; D466-S468 PolarHBondContact OD1-N 2.81Å; D466-S468 VanDerWaalsContact OD1-N 3.12Å; D466-S468 PolarHBondContact OD1-OG 3.03Å; D466-R503 PolarHBondContact OD2-N 2.71Å
467T72.6Confident68Low89 Ų8974.5 Ų74.555%0.54643%0.43SS..  trans-86.97.7176.761.30000112.8A465 L469 V470 T471A465-T467 PolarHBondContact O-N 3.34Å; T467-L469 VanDerWaalsContact C-N 3.31Å; T467-L469 PolarHBondContact O-N 2.89Å; T467-V470 PolarHBondContact O-N 3.4Å; T467-T471 PolarHBondContact O-N 2.91Å; T467-T471 VanDerWaalsContact O-N 3.13Å; T467-T471 PolarHBondContact O-OG1 3.43Å
468S83.1Confident70.4Confident26 Ų2670 Ų7018%0.18241%0.408CS..Hα-helixtrans-60.8-39.9-173.565.10000112.3D466 T471 I472 R503D466-S468 VanDerWaalsContact C-N 3.26Å; D466-S468 WeakPolarHBondContact OD1-CB 3.42Å; D466-S468 PolarHBondContact OD1-N 2.81Å; D466-S468 VanDerWaalsContact OD1-N 3.12Å; D466-S468 PolarHBondContact OD1-OG 3.03Å; S468-T471 PolarHBondContact O-N 3.33Å; S468-I472 WeakPolarHBondContact O-CD1 3.48Å; S468-I472 VanDerWaalsContact O-CG1 3.3Å; S468-I472 WeakPolarHBondContact O-CG1 3.36Å; S468-I472 PolarHBondContact O-N 3.44Å; S468-R503 WeakPolarHBondContact OG-CB 3.45Å; S468-R503 WeakPolarHBondContact OG-CD 3.46Å
469L88.6Confident72.8Confident0 Ų067.5 Ų67.50%039%0.386CS..Hα-helixtrans-66.5-38.9179.1-16961.8000112.6F444 L448 T467 T471 I472 A473 L500 P501 R503 L506F444-L469 HydrophobicContact CE2-CD1 3.9Å; F444-L469 HydrophobicContact CZ-CD1 3.75Å; L448-L469 HydrophobicContact CD1-CD1 3.67Å; T467-L469 VanDerWaalsContact C-N 3.31Å; T467-L469 PolarHBondContact O-N 2.89Å; L469-T471 VanDerWaalsContact C-N 3.33Å; L469-I472 PolarHBondContact O-N 3.21Å; L469-A473 WeakPolarHBondContact O-CB 3.48Å; L469-A473 PolarHBondContact O-N 3.47Å; L469-L500 HydrophobicContact CD2-CB 4.01Å; L469-L500 HydrophobicContact CG-CB 4.37Å; L469-L500 HydrophobicContact CG-CD1 4.31Å; L469-P501 HydrophobicContact CD2-CG 4.39Å; L469-P501 VanDerWaalsContact CD2-O 3.26Å; L469-P501 WeakPolarHBondContact CD2-O 3.36Å; L469-R503 HydrophobicContact CB-CB 4.13Å; L469-L506 HydrophobicContact CD1-CD2 3.69Å; L469-L506 HydrophobicContact CD2-CB 4.08Å; L469-L506 HydrophobicContact CD2-CD2 3.82Å; L469-L506 HydrophobicContact CG-CD2 4.42Å
470V89.7Confident75.5Confident37 Ų3760.8 Ų60.822%0.22435%0.35CS..Hα-helixtrans-62.3-43.9176.6-179.50000110T467 A473 N474 I497T467-V470 PolarHBondContact O-N 3.4Å; V470-A473 PolarHBondContact O-N 3.26Å; V470-N474 VanDerWaalsContact O-CB 3.27Å; V470-N474 WeakPolarHBondContact O-CB 3.44Å; V470-N474 PolarHBondContact O-N 3.29Å; V470-I497 HydrophobicContact CG1-CG2 3.8Å
471T91Very high78.2Confident86 Ų8654.1 Ų54.153%0.52832%0.315SS..Hα-helixtrans-61.2-47.2175.4-55.30000111.3T467 S468 L469 A473 N474 E475T467-T471 PolarHBondContact O-N 2.91Å; T467-T471 VanDerWaalsContact O-N 3.13Å; T467-T471 PolarHBondContact O-OG1 3.43Å; S468-T471 PolarHBondContact O-N 3.33Å; L469-T471 VanDerWaalsContact C-N 3.33Å; T471-A473 PolarHBondContact O-N 3.19Å; T471-N474 PolarHBondContact O-N 3.4Å; T471-E475 WeakPolarHBondContact O-CB 3.29Å; T471-E475 PolarHBondContact O-N 3.5Å
472I91.6Very high80.8Confident6 Ų654.3 Ų54.33%0.03130%0.304CS..Hα-helixtrans-58.4-48.3177.4-73.6160.4000111.2F444 H447 S468 L469 E475 A476F444-I472 HydrophobicContact CD2-CG2 4Å; F444-I472 HydrophobicContact CE2-CG2 4.06Å; H447-I472 HydrophobicContact CB-CG2 3.72Å; S468-I472 WeakPolarHBondContact O-CD1 3.48Å; S468-I472 VanDerWaalsContact O-CG1 3.3Å; S468-I472 WeakPolarHBondContact O-CG1 3.36Å; S468-I472 PolarHBondContact O-N 3.44Å; L469-I472 PolarHBondContact O-N 3.21Å; I472-E475 PolarHBondContact O-N 2.88Å; I472-A476 PolarHBondContact O-N 3.49Å
473A92.8Very high83.1Confident1 Ų149.7 Ų49.71%0.00828%0.283CS..Hα-helixtrans-66.1-40.9-179.900000112.7F444 L469 V470 T471 E475 Y477 I497 L500F444-A473 HydrophobicContact CD2-CB 4.12Å; F444-A473 HydrophobicContact CE2-CB 3.89Å; L469-A473 WeakPolarHBondContact O-CB 3.48Å; L469-A473 PolarHBondContact O-N 3.47Å; V470-A473 PolarHBondContact O-N 3.26Å; T471-A473 PolarHBondContact O-N 3.19Å; A473-E475 VanDerWaalsContact C-N 3.31Å; A473-E475 PolarHBondContact O-N 2.85Å; A473-Y477 WeakPolarHBondContact O-CB 3.2Å; A473-Y477 PolarHBondContact O-N 3.45Å; A473-I497 HydrophobicContact CB-CG1 4.13Å; A473-I497 HydrophobicContact CB-CG2 4.08Å; A473-L500 HydrophobicContact CB-CD1 3.35Å
474N93.2Very high85.5Confident56 Ų5644.7 Ų44.730%0.29925%0.254SS..Hα-helixtrans-64.5-37.9176.9-177.558.9000112.2V470 T471 T478 M494 I497V470-N474 VanDerWaalsContact O-CB 3.27Å; V470-N474 WeakPolarHBondContact O-CB 3.44Å; V470-N474 PolarHBondContact O-N 3.29Å; T471-N474 PolarHBondContact O-N 3.4Å; N474-T478 VanDerWaalsContact O-CB 3.31Å; N474-T478 WeakPolarHBondContact O-CB 3.27Å; N474-T478 PolarHBondContact O-N 3.42Å; N474-T478 PolarHBondContact O-OG1 2.92Å; N474-M494 WeakPolarHBondContact OD1-CE 3.48Å; N474-I497 HydrophobicContact CB-CG2 4.21Å
475E91Very high87.6Confident70 Ų7042.4 Ų42.433%0.32723%0.234SC..Hα-helixtrans-66.3-52.1177.6-172.569.7176.600111.2T471 I472 A473 Y477 T478 R479T471-E475 WeakPolarHBondContact O-CB 3.29Å; T471-E475 PolarHBondContact O-N 3.5Å; I472-E475 PolarHBondContact O-N 2.88Å; A473-E475 VanDerWaalsContact C-N 3.31Å; A473-E475 PolarHBondContact O-N 2.85Å; E475-Y477 VanDerWaalsContact C-N 3.3Å; E475-Y477 PolarHBondContact O-N 3.44Å; E475-T478 PolarHBondContact O-N 3.44Å; E475-T478 VanDerWaalsContact O-N 3.15Å; E475-R479 PolarHBondContact O-N 2.98Å; E475-R479 VanDerWaalsContact O-N 3.1Å; E475-R479 IonicContact OE1-CZ 3.42Å; E475-R479 IonicContact OE1-NH1 3.71Å; E475-R479 PolarHBondContact OE1-NH1 2.93Å; E475-R479 IonicContact OE1-NH2 3.56Å; E475-R479 PolarHBondContact OE1-NH2 3.27Å
476A92.9Very high89.1Confident0 Ų041.8 Ų41.80%023%0.225CC..Hα-helixtrans-58.2-42.3175.500000111.9F440 E443 F444 I472 T478 R479 C480F440-A476 HydrophobicContact CD2-CB 4.05Å; F440-A476 HydrophobicContact CE2-CB 3.96Å; E443-A476 HydrophobicContact CB-CB 3.93Å; F444-A476 HydrophobicContact CB-CB 4.04Å; I472-A476 PolarHBondContact O-N 3.49Å; A476-T478 PolarHBondContact O-N 3.01Å; A476-R479 PolarHBondContact O-N 2.8Å; A476-C480 WeakPolarHBondContact O-CB 3.37Å; A476-C480 PolarHBondContact O-N 2.99Å; A476-C480 PolarHBondContact O-SG 2.99Å
477Y94.2Very high89.6Confident5 Ų546.8 Ų46.82%0.0224%0.24CC..Hα-helixtrans-61.7-42.8176.8176.9-105.6000112.4A473 E475 R479 C480 L481 R482 H485 R490 A493 M494 I497A473-Y477 WeakPolarHBondContact O-CB 3.2Å; A473-Y477 PolarHBondContact O-N 3.45Å; E475-Y477 VanDerWaalsContact C-N 3.3Å; E475-Y477 PolarHBondContact O-N 3.44Å; Y477-R479 VanDerWaalsContact C-N 3.34Å; Y477-R479 PolarHBondContact O-N 2.99Å; Y477-C480 PolarHBondContact O-N 3.28Å; Y477-L481 HydrophobicContact CD2-CB 3.76Å; Y477-L481 HydrophobicContact CD2-CD1 4.37Å; Y477-L481 HydrophobicContact CE2-CB 3.61Å; Y477-L481 PolarHBondContact O-N 3.22Å; Y477-R482 HydrophobicContact CD1-CB 3.91Å; Y477-R482 HydrophobicContact CD1-CG 4.42Å; Y477-R482 HydrophobicContact CE1-CB 3.57Å; Y477-R482 HydrophobicContact CE1-CG 3.85Å; Y477-R482 WeakPolarHBondContact O-CB 3.36Å; Y477-R482 PolarHBondContact O-N 3.03Å; Y477-H485 AromaticContact CE2-CE1 3.84Å; Y477-H485 AromaticContact CE2-ND1 3.4Å; Y477-H485 WeakPolarHBondContact CE2-ND1 3.21Å; Y477-H485 AromaticContact CZ-ND1 3.61Å; Y477-H485 PolarHBondContact OH-ND1 2.9Å; Y477-R490 WeakPolarHBondContact OH-CA 3.38Å; Y477-R490 WeakPolarHBondContact OH-CG 3.33Å; Y477-A493 HydrophobicContact CD2-CB 4.13Å; Y477-A493 HydrophobicContact CE1-CB 4.03Å; Y477-A493 HydrophobicContact CE2-CB 3.49Å; Y477-A493 VanDerWaalsContact CE2-CB 3.49Å; Y477-A493 VanDerWaalsContact CZ-CB 3.43Å; Y477-M494 HydrophobicContact CD1-CE 3.41Å; Y477-M494 VanDerWaalsContact CD1-CE 3.41Å; Y477-M494 HydrophobicContact CE1-CE 3.55Å; Y477-M494 HydrophobicContact CG-CE 4.44Å; Y477-I497 HydrophobicContact CD1-CD1 4.15Å; Y477-I497 HydrophobicContact CG-CD1 3.88Å
478T92.5Very high90.1Very high42 Ų4243.6 Ų43.626%0.25822%0.222SC..Hα-helixtrans-64.2-39.2-179.6-66.80000111.8N474 E475 A476 R482N474-T478 VanDerWaalsContact O-CB 3.31Å; N474-T478 WeakPolarHBondContact O-CB 3.27Å; N474-T478 PolarHBondContact O-N 3.42Å; N474-T478 PolarHBondContact O-OG1 2.92Å; E475-T478 PolarHBondContact O-N 3.44Å; E475-T478 VanDerWaalsContact O-N 3.15Å; A476-T478 PolarHBondContact O-N 3.01Å; T478-R482 PolarHBondContact OG1-NH1 3.19Å
479R90.3Very high90.4Very high59 Ų5945.3 Ų45.322%0.22323%0.231CC..Hα-helixtrans-73.5-30.6177.2-71.6-171.9167.89623.1114.2H447 E475 A476 Y477 T582 S584H447-R479 PolarHBondContact CE1-NH1 3.39Å; H447-R479 PolarHBondContact NE2-NH1 3.4Å; E475-R479 PolarHBondContact O-N 2.98Å; E475-R479 VanDerWaalsContact O-N 3.1Å; E475-R479 IonicContact OE1-CZ 3.42Å; E475-R479 IonicContact OE1-NH1 3.71Å; E475-R479 PolarHBondContact OE1-NH1 2.93Å; E475-R479 IonicContact OE1-NH2 3.56Å; E475-R479 PolarHBondContact OE1-NH2 3.27Å; A476-R479 PolarHBondContact O-N 2.8Å; Y477-R479 VanDerWaalsContact C-N 3.34Å; Y477-R479 PolarHBondContact O-N 2.99Å; R479-T582 VanDerWaalsContact O-CG2 3.29Å; R479-T582 WeakPolarHBondContact O-CG2 3.45Å; R479-T582 PolarHBondContact O-OG1 3.23Å; R479-S584 WeakPolarHBondContact CD-O 3.45Å; R479-S584 PolarHBondContact NE-O 3.18Å; R479-S584 PolarHBondContact O-OG 2.91Å
480C93.2Very high90.5Very high1 Ų148 Ų481%0.00724%0.241CC..Hα-helixtrans-106.7-68.7-170.1-56.80000113.3F440 E443 A476 Y477 F484F440-C480 HydrophobicContact CB-CB 3.93Å; E443-C480 WeakPolarHBondContact CG-SG 3.48Å; A476-C480 WeakPolarHBondContact O-CB 3.37Å; A476-C480 PolarHBondContact O-N 2.99Å; A476-C480 PolarHBondContact O-SG 2.99Å; Y477-C480 PolarHBondContact O-N 3.28Å; C480-F484 WeakPolarHBondContact O-CD2 3.36Å; C480-F484 WeakPolarHBondContact O-CE2 3.5Å
481L93.4Very high90.3Very high16 Ų1648.2 Ų48.28%0.08425%0.25CC..THydrogen-bonded Turntrans-95.4-28.4-164.5-73.1170.8000113.3R436 F440 Y477 F484 H485R436-L481 HydrophobicContact CB-CD2 3.97Å; F440-L481 HydrophobicContact CB-CD1 3.61Å; F440-L481 HydrophobicContact CB-CG 3.9Å; F440-L481 HydrophobicContact CD1-CD1 4.23Å; F440-L481 HydrophobicContact CD2-CD1 4.28Å; F440-L481 HydrophobicContact CG-CD1 3.77Å; F440-L481 HydrophobicContact CG-CG 4.48Å; Y477-L481 HydrophobicContact CD2-CB 3.76Å; Y477-L481 HydrophobicContact CD2-CD1 4.37Å; Y477-L481 HydrophobicContact CE2-CB 3.61Å; Y477-L481 PolarHBondContact O-N 3.22Å; L481-F484 PolarHBondContact O-N 3.38Å; L481-F484 VanDerWaalsContact O-N 3.1Å; L481-H485 PolarHBondContact O-N 2.69Å; L481-H485 VanDerWaalsContact O-N 3.09Å
482R92.4Very high90Very high107 Ų10747.5 Ų47.540%0.40424%0.242SC..THydrogen-bonded Turntrans-55.5-42.8-174.7-175179.2177.1-176-3.4113.5Y477 T478 F484 H485 R490Y477-R482 HydrophobicContact CD1-CB 3.91Å; Y477-R482 HydrophobicContact CD1-CG 4.42Å; Y477-R482 HydrophobicContact CE1-CB 3.57Å; Y477-R482 HydrophobicContact CE1-CG 3.85Å; Y477-R482 WeakPolarHBondContact O-CB 3.36Å; Y477-R482 PolarHBondContact O-N 3.03Å; T478-R482 PolarHBondContact OG1-NH1 3.19Å; R482-F484 VanDerWaalsContact C-N 3.28Å; R482-F484 PolarHBondContact O-N 3.31Å; R482-H485 PolarHBondContact O-N 3.35Å; R482-R490 HydrophobicContact CG-CG 4.43Å; R482-R490 VanDerWaalsContact O-CZ 3.28Å; R482-R490 PolarHBondContact O-NE 2.82Å; R482-R490 PolarHBondContact O-NH2 3.35Å
483P91.2Very high89.9Confident64 Ų6447.9 Ų47.942%0.41625%0.245SC..THydrogen-bonded Turntrans-61.5-36.7179-2740.2000112.6T582P483-T582 HydrophobicContact CB-CG2 4.26Å; P483-T582 HydrophobicContact CG-CG2 3.79Å
484F91.1Very high89.7Confident57 Ų5750.6 Ų50.625%0.2526%0.259CS..THydrogen-bonded Turntrans-84.3-15.8-177.1-50.8-60.1000114.3W433 R436 C480 L481 R482 T582W433-F484 HydrophobicContact CH2-CB 4.01Å; W433-F484 HydrophobicContact CZ3-CB 4.25Å; R436-F484 HydrophobicContact CG-CD2 4.25Å; R436-F484 HydrophobicContact CG-CE2 4.2Å; R436-F484 VanDerWaalsContact NH2-CE1 3.29Å; C480-F484 WeakPolarHBondContact O-CD2 3.36Å; C480-F484 WeakPolarHBondContact O-CE2 3.5Å; L481-F484 PolarHBondContact O-N 3.38Å; L481-F484 VanDerWaalsContact O-N 3.1Å; R482-F484 VanDerWaalsContact C-N 3.28Å; R482-F484 PolarHBondContact O-N 3.31Å; F484-T582 HydrophobicContact CE2-CG2 3.59Å; F484-T582 HydrophobicContact CZ-CG2 3.66Å
485H91.3Very high89.3Confident31 Ų3150.6 Ų50.614%0.14426%0.261CS..SBendtrans-87.3137.3-178.6-75.5177.6000112.4W433 Y477 L481 R482 V489 R490W433-H485 AromaticContact CZ3-CD2 3.83Å; W433-H485 AromaticContact CZ3-NE2 3.91Å; Y477-H485 AromaticContact CE2-CE1 3.84Å; Y477-H485 AromaticContact CE2-ND1 3.4Å; Y477-H485 WeakPolarHBondContact CE2-ND1 3.21Å; Y477-H485 AromaticContact CZ-ND1 3.61Å; Y477-H485 PolarHBondContact OH-ND1 2.9Å; L481-H485 PolarHBondContact O-N 2.69Å; L481-H485 VanDerWaalsContact O-N 3.09Å; R482-H485 PolarHBondContact O-N 3.35Å; H485-V489 HydrophobicContact CB-CB 3.99Å; H485-V489 HydrophobicContact CB-CG1 3.89Å; H485-V489 VanDerWaalsContact CG-CG1 3.46Å; H485-V489 WeakPolarHBondContact ND1-CG1 3.46Å; H485-R490 HydrophobicContact CB-CG 3.92Å; H485-R490 PolarHBondContact O-NE 3.13Å; H485-R490 PolarHBondContact O-NH2 3.49Å
486S88.3Confident89.2Confident70 Ų7048.4 Ų48.449%0.4925%0.251SS..  trans-64.3160.7168.773.60000111.3S488 V489 R490S486-S488 PolarHBondContact O-N 3.11Å; S486-S488 VanDerWaalsContact O-N 3.14Å; S486-V489 PolarHBondContact O-N 3.02Å; S486-V489 WeakPolarHBondContact OG-CG2 3.44Å; S486-R490 WeakPolarHBondContact O-CG 3.39Å; S486-R490 PolarHBondContact O-N 3.21Å
487W78Confident89Confident160 Ų16048.9 Ų48.961%0.60625%0.253SS*.Hα-helixtrans-48.6-43.9179.7178.9-94.9000113.3T9 R490 G491T9-W487 PolarHBondContact O-NE1 3.07Å; W487-R490 WeakPolarHBondContact O-CB 3.29Å; W487-R490 PolarHBondContact O-N 3.11Å; W487-G491 PolarHBondContact O-N 3.35Å; W487-G491 VanDerWaalsContact O-N 3.12Å
488S83.4Confident88.6Confident22 Ų2256.1 Ų56.115%0.15429%0.287CS..Hα-helixtrans-67.7-41.1-179.9-60.50000113.2Y11 S486 R490 G491 M492Y11-S488 VanDerWaalsContact CD2-CB 3.45Å; Y11-S488 VanDerWaalsContact CE2-OG 3.25Å; Y11-S488 WeakPolarHBondContact CE2-OG 3.44Å; S486-S488 PolarHBondContact O-N 3.11Å; S486-S488 VanDerWaalsContact O-N 3.14Å; S488-R490 VanDerWaalsContact C-N 3.29Å; S488-R490 PolarHBondContact O-N 2.84Å; S488-G491 PolarHBondContact O-N 3.22Å; S488-G491 VanDerWaalsContact O-N 3.15Å; S488-M492 PolarHBondContact O-N 3.11Å; S488-M492 VanDerWaalsContact O-N 3.17Å
489V88Confident88.1Confident62 Ų6255.3 Ų55.338%0.37628%0.283SS..Hα-helixtrans-66.4-35.7176.51800000110.4H485 S486 G491 M492 A493H485-V489 HydrophobicContact CB-CB 3.99Å; H485-V489 HydrophobicContact CB-CG1 3.89Å; H485-V489 VanDerWaalsContact CG-CG1 3.46Å; H485-V489 WeakPolarHBondContact ND1-CG1 3.46Å; S486-V489 PolarHBondContact O-N 3.02Å; S486-V489 WeakPolarHBondContact OG-CG2 3.44Å; V489-G491 VanDerWaalsContact C-N 3.29Å; V489-G491 PolarHBondContact O-N 3.41Å; V489-M492 PolarHBondContact O-N 3Å; V489-A493 PolarHBondContact O-N 2.8Å
490R90.3Very high87.8Confident57 Ų5754 Ų5422%0.21528%0.28CS..Hα-helixtrans-59.3-39.9171.5-62.8170.7-172.7-173.11.3111.9Y477 R482 H485 S486 W487 S488 A493 M494Y477-R490 WeakPolarHBondContact OH-CA 3.38Å; Y477-R490 WeakPolarHBondContact OH-CG 3.33Å; R482-R490 HydrophobicContact CG-CG 4.43Å; R482-R490 VanDerWaalsContact O-CZ 3.28Å; R482-R490 PolarHBondContact O-NE 2.82Å; R482-R490 PolarHBondContact O-NH2 3.35Å; H485-R490 HydrophobicContact CB-CG 3.92Å; H485-R490 PolarHBondContact O-NE 3.13Å; H485-R490 PolarHBondContact O-NH2 3.49Å; S486-R490 WeakPolarHBondContact O-CG 3.39Å; S486-R490 PolarHBondContact O-N 3.21Å; W487-R490 WeakPolarHBondContact O-CB 3.29Å; W487-R490 PolarHBondContact O-N 3.11Å; S488-R490 VanDerWaalsContact C-N 3.29Å; S488-R490 PolarHBondContact O-N 2.84Å; R490-A493 PolarHBondContact O-N 3.11Å; R490-M494 WeakPolarHBondContact O-CG 3.3Å; R490-M494 PolarHBondContact O-N 3.24Å; R490-M494 VanDerWaalsContact O-N 3.08Å
491G86.2Confident87.2Confident40 Ų4054.7 Ų54.741%0.41229%0.285SS..Hα-helixtrans-59.8-46.1173.400000112.8W487 S488 V489 M494 V495W487-G491 PolarHBondContact O-N 3.35Å; W487-G491 VanDerWaalsContact O-N 3.12Å; S488-G491 PolarHBondContact O-N 3.22Å; S488-G491 VanDerWaalsContact O-N 3.15Å; V489-G491 VanDerWaalsContact C-N 3.29Å; V489-G491 PolarHBondContact O-N 3.41Å; G491-M494 PolarHBondContact O-N 3.15Å; G491-V495 PolarHBondContact O-N 3.31Å
492M85.8Confident86.6Confident72 Ų7256 Ų5636%0.35530%0.295SS..Hα-helixtrans-63.3-42.5176.9-68.7-61-70.100112.4A327 Q330 S488 V489 M494 V495 I496A327-M492 HydrophobicContact CB-CE 3.54Å; Q330-M492 VanDerWaalsContact OE1-CE 3.31Å; S488-M492 PolarHBondContact O-N 3.11Å; S488-M492 VanDerWaalsContact O-N 3.17Å; V489-M492 PolarHBondContact O-N 3Å; M492-M494 VanDerWaalsContact C-N 3.3Å; M492-M494 PolarHBondContact O-N 2.86Å; M492-V495 PolarHBondContact O-N 3.26Å; M492-I496 PolarHBondContact O-N 2.94Å
493A88.6Confident86.2Confident13 Ų1351 Ų5111%0.10728%0.277CS..Hα-helixtrans-59.4-40.8175.800000111.9Y477 V489 R490 I496 I497Y477-A493 HydrophobicContact CD2-CB 4.13Å; Y477-A493 HydrophobicContact CE1-CB 4.03Å; Y477-A493 HydrophobicContact CE2-CB 3.49Å; Y477-A493 VanDerWaalsContact CE2-CB 3.49Å; Y477-A493 VanDerWaalsContact CZ-CB 3.43Å; V489-A493 PolarHBondContact O-N 2.8Å; R490-A493 PolarHBondContact O-N 3.11Å; A493-I496 PolarHBondContact O-N 3.26Å; A493-I497 WeakPolarHBondContact O-CB 3.41Å; A493-I497 VanDerWaalsContact O-CG1 3.29Å; A493-I497 WeakPolarHBondContact O-CG1 3.36Å; A493-I497 PolarHBondContact O-N 3.37Å
494M89.2Confident85.6Confident58 Ų5849.2 Ų49.229%0.28626%0.263SS..Hα-helixtrans-65.8-37.2177.3-69.1-60.812800112.9N474 Y477 R490 G491 M492 I496 I497 Q498N474-M494 WeakPolarHBondContact OD1-CE 3.48Å; Y477-M494 HydrophobicContact CD1-CE 3.41Å; Y477-M494 VanDerWaalsContact CD1-CE 3.41Å; Y477-M494 HydrophobicContact CE1-CE 3.55Å; Y477-M494 HydrophobicContact CG-CE 4.44Å; R490-M494 WeakPolarHBondContact O-CG 3.3Å; R490-M494 PolarHBondContact O-N 3.24Å; R490-M494 VanDerWaalsContact O-N 3.08Å; G491-M494 PolarHBondContact O-N 3.15Å; M492-M494 VanDerWaalsContact C-N 3.3Å; M492-M494 PolarHBondContact O-N 2.86Å; M494-I496 VanDerWaalsContact C-N 3.31Å; M494-I496 PolarHBondContact O-N 2.91Å; M494-I497 HydrophobicContact CE-CD1 3.82Å; M494-I497 PolarHBondContact O-N 3.13Å; M494-I497 HydrophobicContact SD-CD1 4.46Å; M494-Q498 WeakPolarHBondContact O-CB 3.48Å; M494-Q498 WeakPolarHBondContact O-CG 3.44Å; M494-Q498 PolarHBondContact O-N 3.47Å
495V85.2Confident85.1Confident57 Ų5749.7 Ų49.735%0.34526%0.264SS..Hα-helixtrans-59.6-44.5174.1173.30000110.6R323 G491 M492 S499R323-V495 HydrophobicContact CB-CG1 4.34Å; G491-V495 PolarHBondContact O-N 3.31Å; M492-V495 PolarHBondContact O-N 3.26Å; V495-S499 PolarHBondContact O-N 3.05Å; V495-S499 PolarHBondContact O-OG 3.35Å
496I87.2Confident84.8Confident24 Ų2448.3 Ų48.312%0.12326%0.258CS..Hα-helixtrans-63.4-51.3176.7-63.4169.6000110.6A327 L328 V331 M492 A493 M494 Q498 S499 L500A327-I496 HydrophobicContact CB-CD1 3.79Å; A327-I496 HydrophobicContact CB-CG1 3.54Å; L328-I496 HydrophobicContact CD2-CD1 4.29Å; L328-I496 HydrophobicContact CD2-CG1 4.43Å; L328-I496 HydrophobicContact CD2-CG2 3.54Å; L328-I496 HydrophobicContact CG-CD1 4.49Å; L328-I496 HydrophobicContact CG-CG1 4.31Å; L328-I496 HydrophobicContact CG-CG2 4.01Å; V331-I496 HydrophobicContact CG2-CD1 3.92Å; M492-I496 PolarHBondContact O-N 2.94Å; A493-I496 PolarHBondContact O-N 3.26Å; M494-I496 VanDerWaalsContact C-N 3.31Å; M494-I496 PolarHBondContact O-N 2.91Å; I496-Q498 VanDerWaalsContact C-N 3.32Å; I496-Q498 PolarHBondContact O-N 3.39Å; I496-S499 PolarHBondContact O-N 3.04Å; I496-S499 PolarHBondContact O-OG 3.24Å; I496-L500 PolarHBondContact O-N 2.98Å
497I89.7Confident84.7Confident9 Ų945.1 Ų45.15%0.04624%0.235CC..Hα-helixtrans-59.4-42.3-176.8-72.5164000111.5V470 A473 N474 Y477 A493 M494 S499 L500V470-I497 HydrophobicContact CG1-CG2 3.8Å; A473-I497 HydrophobicContact CB-CG1 4.13Å; A473-I497 HydrophobicContact CB-CG2 4.08Å; N474-I497 HydrophobicContact CB-CG2 4.21Å; Y477-I497 HydrophobicContact CD1-CD1 4.15Å; Y477-I497 HydrophobicContact CG-CD1 3.88Å; A493-I497 WeakPolarHBondContact O-CB 3.41Å; A493-I497 VanDerWaalsContact O-CG1 3.29Å; A493-I497 WeakPolarHBondContact O-CG1 3.36Å; A493-I497 PolarHBondContact O-N 3.37Å; M494-I497 HydrophobicContact CE-CD1 3.82Å; M494-I497 PolarHBondContact O-N 3.13Å; M494-I497 HydrophobicContact SD-CD1 4.46Å; I497-S499 PolarHBondContact O-N 3.21Å; I497-L500 WeakPolarHBondContact O-CG 3.43Å; I497-L500 PolarHBondContact O-N 3.32Å
498Q85.5Confident84.8Confident157 Ų15739.9 Ų39.973%0.73422%0.219SC*.Hα-helixtrans-72.5-12.5179.7-70.7-150.2-17.800114.4M494 I496M494-Q498 WeakPolarHBondContact O-CB 3.48Å; M494-Q498 WeakPolarHBondContact O-CG 3.44Å; M494-Q498 PolarHBondContact O-N 3.47Å; I496-Q498 VanDerWaalsContact C-N 3.32Å; I496-Q498 PolarHBondContact O-N 3.39Å
499S82.6Confident84.8Confident25 Ų2540.2 Ų40.218%0.17522%0.219CC..THydrogen-bonded Turntrans-101.34.2177.960.20000114.3T324 V495 I496 I497T324-S499 WeakPolarHBondContact CB-OG 3.47Å; T324-S499 WeakPolarHBondContact CG2-OG 3.43Å; T324-S499 WeakPolarHBondContact OG1-CB 3.34Å; T324-S499 PolarHBondContact OG1-OG 3.38Å; V495-S499 PolarHBondContact O-N 3.05Å; V495-S499 PolarHBondContact O-OG 3.35Å; I496-S499 PolarHBondContact O-N 3.04Å; I496-S499 PolarHBondContact O-OG 3.24Å; I497-S499 PolarHBondContact O-N 3.21Å
500L84.1Confident84.8Confident31 Ų3137.3 Ų37.316%0.16220%0.201CC..  trans-62.5146.5175.9-71173.6000111L305 L469 A473 I496 I497L305-L500 HydrophobicContact CD1-CD2 4.3Å; L305-L500 HydrophobicContact CD2-CD2 4.36Å; L469-L500 HydrophobicContact CD2-CB 4.01Å; L469-L500 HydrophobicContact CG-CB 4.37Å; L469-L500 HydrophobicContact CG-CD1 4.31Å; A473-L500 HydrophobicContact CB-CD1 3.35Å; I496-L500 PolarHBondContact O-N 2.98Å; I497-L500 WeakPolarHBondContact O-CG 3.43Å; I497-L500 PolarHBondContact O-N 3.32Å
501P80.5Confident84.6Confident16 Ų1635.7 Ų35.710%0.10420%0.197CC..  trans-69.3-178.3177.531.2-36.8000112L305 L469 Y505L305-P501 HydrophobicContact CD2-CG 4.48Å; L469-P501 HydrophobicContact CD2-CG 4.39Å; L469-P501 VanDerWaalsContact CD2-O 3.26Å; L469-P501 WeakPolarHBondContact CD2-O 3.36Å; P501-Y505 HydrophobicContact CB-CD1 3.62Å; P501-Y505 HydrophobicContact CB-CE1 4.44Å; P501-Y505 HydrophobicContact CB-CG 4.44Å; P501-Y505 HydrophobicContact CG-CD1 4.07Å
502S81.3Confident84.1Confident43 Ų4336 Ų3630%0.30119%0.188SC..  trans-63.6152.8170.167.30000111.2L504 Y505 L506S502-L504 VanDerWaalsContact C-N 3.26Å; S502-L504 PolarHBondContact O-N 2.93Å; S502-Y505 PolarHBondContact O-N 3.14Å; S502-Y505 WeakPolarHBondContact OG-CB 3.05Å; S502-Y505 PolarHBondContact OG-N 3.21Å; S502-L506 PolarHBondContact O-N 3.22Å; S502-L506 VanDerWaalsContact O-N 3.09Å
503R83.3Confident83Confident2 Ų235 Ų351%0.00818%0.184CC..Hα-helixtrans-60.8-38.2-179.6-175.1175.2175.4-167.9-4.7111.6L448 S451 P452 D466 S468 L469 L506 F507L448-R503 HydrophobicContact CD1-CG 3.9Å; L448-R503 PolarHBondContact O-NE 3.11Å; L448-R503 PolarHBondContact O-NH2 3.44Å; S451-R503 PolarHBondContact O-NH2 3.33Å; P452-R503 PolarHBondContact O-NH1 3.44Å; D466-R503 PolarHBondContact OD2-N 2.71Å; S468-R503 WeakPolarHBondContact OG-CB 3.45Å; S468-R503 WeakPolarHBondContact OG-CD 3.46Å; L469-R503 HydrophobicContact CB-CB 4.13Å; R503-L506 PolarHBondContact O-N 3.46Å; R503-F507 HydrophobicContact CG-CE2 3.87Å; R503-F507 HydrophobicContact CG-CZ 3.87Å; R503-F507 WeakPolarHBondContact O-CD2 3.46Å; R503-F507 PolarHBondContact O-N 3.07Å; R503-F507 VanDerWaalsContact O-N 3.15Å
504L79Confident81.4Confident27 Ų2739.4 Ų39.414%0.14121%0.206CC..Hα-helixtrans-63-41.7176.9-69172.9000112.5S502 L506 F507 D508 T536 K537 L540S502-L504 VanDerWaalsContact C-N 3.26Å; S502-L504 PolarHBondContact O-N 2.93Å; L504-L506 VanDerWaalsContact C-N 3.32Å; L504-F507 HydrophobicContact CD2-CD2 4.45Å; L504-F507 WeakPolarHBondContact O-CB 3.31Å; L504-F507 PolarHBondContact O-N 3.01Å; L504-D508 PolarHBondContact O-N 3.49Å; L504-T536 HydrophobicContact CB-CG2 4.42Å; L504-K537 HydrophobicContact CD1-CG 3.87Å; L504-L540 HydrophobicContact CD2-CD1 4.05Å; L504-L540 HydrophobicContact CD2-CD2 4.5Å
505Y80.1Confident79.5Confident67 Ų6736.9 Ų36.926%0.26319%0.194SC..Hα-helixtrans-68.4-34.8177.9-173.6-108.2000111.8T308 P501 S502 F507 D508 L509 T536T308-Y505 HydrophobicContact CG2-CD1 4.2Å; T308-Y505 HydrophobicContact CG2-CE1 3.46Å; T308-Y505 VanDerWaalsContact CG2-CE1 3.46Å; P501-Y505 HydrophobicContact CB-CD1 3.62Å; P501-Y505 HydrophobicContact CB-CE1 4.44Å; P501-Y505 HydrophobicContact CB-CG 4.44Å; P501-Y505 HydrophobicContact CG-CD1 4.07Å; S502-Y505 PolarHBondContact O-N 3.14Å; S502-Y505 WeakPolarHBondContact OG-CB 3.05Å; S502-Y505 PolarHBondContact OG-N 3.21Å; Y505-F507 VanDerWaalsContact C-N 3.3Å; Y505-F507 PolarHBondContact O-N 3.46Å; Y505-D508 WeakPolarHBondContact O-CB 3.42Å; Y505-D508 PolarHBondContact O-N 3.01Å; Y505-L509 HydrophobicContact CD1-CD1 3.91Å; Y505-L509 HydrophobicContact CD1-CG 4.36Å; Y505-L509 HydrophobicContact CE1-CD1 3.77Å; Y505-L509 HydrophobicContact CE1-CD2 4.31Å; Y505-L509 HydrophobicContact CE1-CG 4.15Å; Y505-L509 WeakPolarHBondContact O-CG 3.15Å; Y505-L509 PolarHBondContact O-N 2.77Å; Y505-L509 VanDerWaalsContact O-N 3.09Å; Y505-T536 HydrophobicContact CD2-CG2 4.39Å
506L85.6Confident77.7Confident2 Ų240.1 Ų40.11%0.0121%0.205CC..Hα-helixtrans-60.9-39.8171.6-178.361.8000112.1F301 L305 F444 L448 L469 S502 R503 L504 D508 L509 L510F301-L506 HydrophobicContact CE2-CD1 4.22Å; F301-L506 HydrophobicContact CZ-CD1 4.16Å; L305-L506 HydrophobicContact CD2-CD1 3.66Å; F444-L506 HydrophobicContact CE1-CD2 4.08Å; F444-L506 HydrophobicContact CZ-CD2 3.8Å; L448-L506 HydrophobicContact CD1-CD2 4.07Å; L448-L506 HydrophobicContact CD2-CD2 3.86Å; L469-L506 HydrophobicContact CD1-CD2 3.69Å; L469-L506 HydrophobicContact CD2-CB 4.08Å; L469-L506 HydrophobicContact CD2-CD2 3.82Å; L469-L506 HydrophobicContact CG-CD2 4.42Å; S502-L506 PolarHBondContact O-N 3.22Å; S502-L506 VanDerWaalsContact O-N 3.09Å; R503-L506 PolarHBondContact O-N 3.46Å; L504-L506 VanDerWaalsContact C-N 3.32Å; L506-D508 VanDerWaalsContact C-N 3.32Å; L506-D508 PolarHBondContact O-N 3.06Å; L506-L509 PolarHBondContact O-N 2.89Å; L506-L510 HydrophobicContact CD1-CD1 4.38Å; L506-L510 HydrophobicContact CD1-CG 4.45Å; L506-L510 HydrophobicContact CG-CD1 4.11Å; L506-L510 VanDerWaalsContact O-CG 3.32Å; L506-L510 WeakPolarHBondContact O-CG 3.25Å; L506-L510 PolarHBondContact O-N 3.13Å
507F86.3Confident75.6Confident4 Ų443.7 Ų43.72%0.01823%0.228CC..Hα-helixtrans-62.4-41175.9-65.1-37000112.3L448 F449 R503 L504 Y505 L509 L510 L511 L540 Y547 L550L448-F507 HydrophobicContact CD1-CE1 3.88Å; L448-F507 HydrophobicContact CD1-CZ 4.21Å; L448-F507 HydrophobicContact CD2-CE1 4.1Å; L448-F507 HydrophobicContact CG-CE1 3.78Å; L448-F507 HydrophobicContact CG-CZ 4.38Å; F449-F507 HydrophobicContact CD1-CE1 4.25Å; F449-F507 HydrophobicContact CE1-CD1 4.18Å; F449-F507 AromaticContact CE1-CE1 3.57Å; F449-F507 HydrophobicContact CE1-CE1 3.57Å; F449-F507 HydrophobicContact CE1-CZ 4.22Å; F449-F507 HydrophobicContact CZ-CD1 4.18Å; F449-F507 AromaticContact CZ-CE1 3.75Å; F449-F507 HydrophobicContact CZ-CE1 3.75Å; R503-F507 HydrophobicContact CG-CE2 3.87Å; R503-F507 HydrophobicContact CG-CZ 3.87Å; R503-F507 WeakPolarHBondContact O-CD2 3.46Å; R503-F507 PolarHBondContact O-N 3.07Å; R503-F507 VanDerWaalsContact O-N 3.15Å; L504-F507 HydrophobicContact CD2-CD2 4.45Å; L504-F507 WeakPolarHBondContact O-CB 3.31Å; L504-F507 PolarHBondContact O-N 3.01Å; Y505-F507 VanDerWaalsContact C-N 3.3Å; Y505-F507 PolarHBondContact O-N 3.46Å; F507-L509 VanDerWaalsContact C-N 3.34Å; F507-L509 PolarHBondContact O-N 3.19Å; F507-L510 PolarHBondContact O-N 3.46Å; F507-L510 VanDerWaalsContact O-N 3.12Å; F507-L511 WeakPolarHBondContact O-CG 3.46Å; F507-L511 PolarHBondContact O-N 3.31Å; F507-L540 HydrophobicContact CD2-CD1 3.89Å; F507-L540 HydrophobicContact CE2-CD1 4.5Å; F507-Y547 HydrophobicContact CD1-CE2 4.4Å; F507-Y547 HydrophobicContact CD2-CD2 4.4Å; F507-Y547 AromaticContact CD2-CE2 3.96Å; F507-Y547 HydrophobicContact CD2-CE2 3.96Å; F507-Y547 HydrophobicContact CE1-CE2 4.13Å; F507-Y547 AromaticContact CE2-CE2 3.66Å; F507-Y547 HydrophobicContact CE2-CE2 3.66Å; F507-Y547 HydrophobicContact CG-CE2 4.32Å; F507-Y547 AromaticContact CZ-CE2 3.75Å; F507-Y547 HydrophobicContact CZ-CE2 3.75Å; F507-L550 HydrophobicContact CB-CD2 4.24Å; F507-L550 HydrophobicContact CD1-CD2 4.04Å; F507-L550 HydrophobicContact CG-CD2 4.49Å
508D79.9Confident73.5Confident49 Ų4946 Ų4626%0.26224%0.24SC..Hα-helixtrans-58.8-45.2175.4-166.139.9000111.6L504 Y505 L506 L510 L511 L539L504-D508 PolarHBondContact O-N 3.49Å; Y505-D508 WeakPolarHBondContact O-CB 3.42Å; Y505-D508 PolarHBondContact O-N 3.01Å; L506-D508 VanDerWaalsContact C-N 3.32Å; L506-D508 PolarHBondContact O-N 3.06Å; D508-L510 PolarHBondContact O-N 3.3Å; D508-L511 PolarHBondContact O-N 3.01Å; D508-L511 VanDerWaalsContact O-N 3.17Å; D508-L511 VanDerWaalsContact O-O 3.07Å; D508-L539 HydrophobicContact CB-CD1 3.67Å; D508-L539 VanDerWaalsContact CG-CD1 3.43Å; D508-L539 VanDerWaalsContact OD1-CD1 3.27Å; D508-L539 WeakPolarHBondContact OD1-CD1 3.38Å
509L83.3Confident71.5Confident29 Ų2941.4 Ų41.415%0.15222%0.223CC..Hα-helixtrans-63.2-25.2176.8-66.2168.8000114.3R304 T308 Y505 L506 F507 M512R304-L509 PolarHBondContact NH1-O 2.66Å; T308-L509 HydrophobicContact CG2-CD1 3.31Å; T308-L509 HydrophobicContact CG2-CD2 4.39Å; T308-L509 HydrophobicContact CG2-CG 4.45Å; Y505-L509 HydrophobicContact CD1-CD1 3.91Å; Y505-L509 HydrophobicContact CD1-CG 4.36Å; Y505-L509 HydrophobicContact CE1-CD1 3.77Å; Y505-L509 HydrophobicContact CE1-CD2 4.31Å; Y505-L509 HydrophobicContact CE1-CG 4.15Å; Y505-L509 WeakPolarHBondContact O-CG 3.15Å; Y505-L509 PolarHBondContact O-N 2.77Å; Y505-L509 VanDerWaalsContact O-N 3.09Å; L506-L509 PolarHBondContact O-N 2.89Å; F507-L509 VanDerWaalsContact C-N 3.34Å; F507-L509 PolarHBondContact O-N 3.19Å; L509-M512 VanDerWaalsContact O-CE 3.31Å; L509-M512 WeakPolarHBondContact O-CE 2.99Å
510L87.8Confident69.2Low2 Ų245.5 Ų45.51%0.0125%0.252CS..Hα-helixtrans-91-14.7-180-66.9173000113.4T252 F253 F301 L448 L506 F507 D508 L550T252-L510 CarbonylContact C-O 3.56Å; T252-L510 WeakPolarHBondContact CA-O 3.34Å; F253-L510 HydrophobicContact CB-CB 4.45Å; F253-L510 HydrophobicContact CB-CD2 3.66Å; F253-L510 HydrophobicContact CD1-CD2 4.04Å; F253-L510 HydrophobicContact CG-CD2 3.92Å; F253-L510 PolarHBondContact N-O 3.47Å; F301-L510 HydrophobicContact CD2-CD2 3.76Å; F301-L510 HydrophobicContact CE2-CD1 4.35Å; F301-L510 HydrophobicContact CE2-CD2 3.66Å; F301-L510 HydrophobicContact CE2-CG 4.43Å; L448-L510 HydrophobicContact CD2-CD1 4.28Å; L506-L510 HydrophobicContact CD1-CD1 4.38Å; L506-L510 HydrophobicContact CD1-CG 4.45Å; L506-L510 HydrophobicContact CG-CD1 4.11Å; L506-L510 VanDerWaalsContact O-CG 3.32Å; L506-L510 WeakPolarHBondContact O-CG 3.25Å; L506-L510 PolarHBondContact O-N 3.13Å; F507-L510 PolarHBondContact O-N 3.46Å; F507-L510 VanDerWaalsContact O-N 3.12Å; D508-L510 PolarHBondContact O-N 3.3Å; L510-L550 HydrophobicContact CB-CD1 3.75Å; L510-L550 HydrophobicContact CB-CD2 3.96Å
511L85.2Confident66.8Low23 Ų2348.7 Ų48.712%0.1228%0.277CS..BIsolated β-bridgetrans-81.7122.9164.9-66.2172.5000107.5F507 D508 A546 L550F507-L511 WeakPolarHBondContact O-CG 3.46Å; F507-L511 PolarHBondContact O-N 3.31Å; D508-L511 PolarHBondContact O-N 3.01Å; D508-L511 VanDerWaalsContact O-N 3.17Å; D508-L511 VanDerWaalsContact O-O 3.07Å; L511-A546 HydrophobicContact CD1-CB 4.24Å; L511-A546 HydrophobicContact CD2-CB 4.04Å; L511-L550 HydrophobicContact CD2-CB 3.97Å; L511-L550 HydrophobicContact CD2-CD2 4.27Å; L511-L550 HydrophobicContact CG-CD2 4.29Å
512M75.6Confident64.7Low47 Ų4753.7 Ų53.723%0.23230%0.301CS..  trans-83.2-29.5-178.7-59.9-68.490.300111.7Q251 T252 F253 T256 R304 L509Q251-M512 HydrophobicContact CB-CB 3.95Å; Q251-M512 HydrophobicContact CB-CG 4.42Å; Q251-M512 PolarHBondContact O-N 2.82Å; T252-M512 VanDerWaalsContact C-CG 3.49Å; F253-M512 HydrophobicContact CB-CE 3.89Å; F253-M512 HydrophobicContact CB-SD 4.48Å; T256-M512 HydrophobicContact CG2-CB 4.36Å; T256-M512 HydrophobicContact CG2-CG 3.73Å; R304-M512 VanDerWaalsContact CZ-SD 3.52Å; R304-M512 PolarHBondContact NH2-SD 3.34Å; L509-M512 VanDerWaalsContact O-CE 3.31Å; L509-M512 WeakPolarHBondContact O-CE 2.99Å
513D64.1Low62.2Low51 Ų5158.6 Ų58.627%0.27333%0.329SS..SBendtrans-89.8129.5-179.1-60.5-33.3000109.7Q251 P515 I518Q251-D513 WeakPolarHBondContact CB-OD2 3.37Å; Q251-D513 PolarHBondContact N-OD2 3.45Å; D513-P515 WeakPolarHBondContact O-CD 3.25Å; D513-I518 HydrophobicContact CB-CD1 3.97Å
514N54.6Low59.9Low105 Ų10563.4 Ų63.456%0.56136%0.363SS*.  trans-63.4116.3167.6-110.1-30.3000107.5E516 T517N514-E516 PolarHBondContact O-N 2.98Å; N514-T517 HydrophobicContact CB-CG2 4.43Å; N514-T517 WeakPolarHBondContact CB-OG1 3.41Å; N514-T517 PolarHBondContact O-N 3.22Å; N514-T517 PolarHBondContact O-OG1 3.38Å
515P49.8Very low57.5Low5 Ų568.7 Ų68.73%0.03240%0.397CS..Hα-helixtrans-61.1-21.3-177.2-23.635.3000113D513 T519 L539 Y543D513-P515 WeakPolarHBondContact O-CD 3.25Å; P515-T519 PolarHBondContact O-OG1 2.82Å; P515-L539 HydrophobicContact CG-CD2 3.94Å; P515-Y543 HydrophobicContact CB-CD1 3.62Å; P515-Y543 HydrophobicContact CB-CD2 3.31Å; P515-Y543 HydrophobicContact CB-CE1 3.48Å; P515-Y543 VanDerWaalsContact CB-CE1 3.48Å; P515-Y543 HydrophobicContact CB-CE2 3.18Å; P515-Y543 HydrophobicContact CB-CG 3.53Å; P515-Y543 HydrophobicContact CG-CD2 3.96Å; P515-Y543 HydrophobicContact CG-CE2 4.11Å; P515-Y543 HydrophobicContact CG-CG 4.3Å; P515-Y543 VanDerWaalsContact O-CE1 3.29Å; P515-Y543 WeakPolarHBondContact O-CE1 3.33Å; P515-Y543 PolarHBondContact O-OH 3.4Å
516E45.6Very low55.6Low125 Ų12571.7 Ų71.758%0.58442%0.422SS*.Hα-helixtrans-72.7-31.2175.8-57.6-164.8154.800113.2N514 I518 T519N514-E516 PolarHBondContact O-N 2.98Å; E516-I518 VanDerWaalsContact C-N 3.3Å; E516-I518 PolarHBondContact O-N 3.34Å; E516-T519 PolarHBondContact O-N 3.5Å; E516-T519 PolarHBondContact O-OG1 3.18Å
517T44.6Very low53Low99 Ų9975.5 Ų75.561%0.60746%0.462SS*.Hα-helixtrans-73.5-19178.334.60000113.9N514 S520N514-T517 HydrophobicContact CB-CG2 4.43Å; N514-T517 WeakPolarHBondContact CB-OG1 3.41Å; N514-T517 PolarHBondContact O-N 3.22Å; N514-T517 PolarHBondContact O-OG1 3.38Å; T517-S520 PolarHBondContact O-OG 3.41Å
518I45.7Very low50.6Low57 Ų5782.9 Ų82.929%0.29250%0.501SS..Hα-helixtrans-87-23.6177.6-58.9172.7000111Y250 D513 E516 S521Y250-I518 HydrophobicContact CD1-CD1 3.62Å; Y250-I518 HydrophobicContact CE1-CD1 3.66Å; D513-I518 HydrophobicContact CB-CD1 3.97Å; E516-I518 VanDerWaalsContact C-N 3.3Å; E516-I518 PolarHBondContact O-N 3.34Å; I518-S521 PolarHBondContact O-OG 3.05Å
519T41.8Very low48.3Very low60 Ų6085.6 Ų85.637%0.36852%0.521SS..Hα-helixtrans-93.1-3.5-171.730.40000115.5P515 E516 S521 I522 Y543P515-T519 PolarHBondContact O-OG1 2.82Å; E516-T519 PolarHBondContact O-N 3.5Å; E516-T519 PolarHBondContact O-OG1 3.18Å; T519-S521 PolarHBondContact O-N 2.91Å; T519-I522 PolarHBondContact O-N 3.44Å; T519-Y543 HydrophobicContact CG2-CE1 3.9Å; T519-Y543 PolarHBondContact OG1-OH 3.12Å
520S35.1Very low45.9Very low112 Ų11290.4 Ų90.478%0.78355%0.554SS**THydrogen-bonded Turntrans-66.46.8171.448.10000114.8T517T517-S520 PolarHBondContact O-OG 3.41Å
521S33.9Very low43.1Very low98 Ų9893.3 Ų93.369%0.68558%0.584SS**THydrogen-bonded Turntrans-106.8-0.3175.558.60000114.6I518 T519I518-S521 PolarHBondContact O-OG 3.05Å; T519-S521 PolarHBondContact O-N 2.91Å
522I37.1Very low40.5Very low121 Ų12197.3 Ų97.362%0.62161%0.614SS**  trans-126.396.9179-53.4176.3000109.7T519 S524T519-I522 PolarHBondContact O-N 3.44Å; I522-S524 PolarHBondContact O-N 3.15Å; I522-S524 VanDerWaalsContact O-N 3.12Å
523T28.2Very low38.5Very low146 Ų146103.8 Ų103.890%0.89664%0.642SS**  trans-53.5112.1165.538.10000110.1
524S34Very low37.5Very low102 Ų102107 Ų10771%0.71366%0.658SS**  trans-140.3125.6160.759.30000111.1I522 T526I522-S524 PolarHBondContact O-N 3.15Å; I522-S524 VanDerWaalsContact O-N 3.12Å; S524-T526 PolarHBondContact O-N 3.18Å
525T29.6Very low37Very low139 Ų139109.1 Ų109.185%0.85367%0.665SS**  trans-8097.2-173.745.40000110.6
526T41.1Very low36.9Very low130 Ų130111.3 Ų111.380%0.79868%0.678SS**  trans-148.9103.1155.941.90000109S524 L528S524-T526 PolarHBondContact O-N 3.18Å; T526-L528 PolarHBondContact O-N 2.85Å
527G30.2Very low37.2Very low81 Ų81111.4 Ų111.484%0.83568%0.677SS**  trans-73113.5174.400000110.6
528L34.9Very low37.7Very low159 Ų159110.4 Ų110.483%0.83267%0.668SS**  trans-137.4139158.6-121.497.6000108.6T526T526-L528 PolarHBondContact O-N 2.85Å
529P32.9Very low38.1Very low107 Ų107109.4 Ų109.470%0.69566%0.663SS**  trans-73.5145.5-171.830-31.7000111.5G531P529-G531 PolarHBondContact O-N 3.22Å
530P31.4Very low39Very low129 Ų129108.6 Ų108.684%0.83866%0.656SS**SBendtrans-80.8104.3176.531.9-28.6000108.5
531G29.4Very low40.3Very low63 Ų63107.1 Ų107.165%0.64965%0.65SS**  trans170.211517600000111.8P529P529-G531 PolarHBondContact O-N 3.22Å
532S30.9Very low41.7Very low108 Ų108109.3 Ų109.376%0.75564%0.644SS**SBendtrans81.1129179.7-164.30000114.3
533F33Very low43.4Very low183 Ų183104.6 Ų104.680%0.80362%0.618SS**SBendtrans98.392.3178.4-64.5-86.5000117.9E535F533-E535 PolarHBondContact O-N 2.98Å; F533-E535 VanDerWaalsContact O-N 3.16Å
534N44Very low45.8Very low117 Ų117101 Ų10163%0.62660%0.597SS**  trans28.566.9153.4-70.3-18000118.1T536 K537N534-T536 PolarHBondContact O-N 2.92Å; N534-K537 PolarHBondContact O-N 3.13Å; N534-K537 VanDerWaalsContact O-N 3.12Å
535E44.5Very low48.1Very low150 Ų150100.8 Ų100.870%0.70159%0.585SS**Hα-helixtrans-51.3-29.6174.5-82.2175.2154.600113.8F533 K537 L538F533-E535 PolarHBondContact O-N 2.98Å; F533-E535 VanDerWaalsContact O-N 3.16Å; E535-K537 VanDerWaalsContact C-N 3.34Å; E535-K537 PolarHBondContact O-N 3.24Å; E535-L538 WeakPolarHBondContact O-CB 3.36Å; E535-L538 PolarHBondContact O-N 3.27Å
536T48Very low50.7Low51 Ų5194.3 Ų94.331%0.31355%0.545SS..Hα-helixtrans-70.5-25.7-177.8-11.30000113.8L504 Y505 N534 L538 L539L504-T536 HydrophobicContact CB-CG2 4.42Å; Y505-T536 HydrophobicContact CD2-CG2 4.39Å; N534-T536 PolarHBondContact O-N 2.92Å; T536-L538 VanDerWaalsContact C-N 3.26Å; T536-L538 PolarHBondContact O-N 3.16Å; T536-L539 HydrophobicContact CG2-CD1 4.4Å
537K51.3Low52.7Low128 Ų12889.3 Ų89.356%0.55751%0.512SS*.Hα-helixtrans-73.8-20.5175.2-96.2-176.3176.8-179.90112.4L504 N534 E535L504-K537 HydrophobicContact CD1-CG 3.87Å; N534-K537 PolarHBondContact O-N 3.13Å; N534-K537 VanDerWaalsContact O-N 3.12Å; E535-K537 VanDerWaalsContact C-N 3.34Å; E535-K537 PolarHBondContact O-N 3.24Å
538L54.7Low55.3Low78 Ų7890.8 Ų90.841%0.40850%0.5SS..Hα-helixtrans-75.2-24.8179.3-94.4144.9000112.6E535 T536 L540 A541 R542E535-L538 WeakPolarHBondContact O-CB 3.36Å; E535-L538 PolarHBondContact O-N 3.27Å; T536-L538 VanDerWaalsContact C-N 3.26Å; T536-L538 PolarHBondContact O-N 3.16Å; L538-L540 PolarHBondContact O-N 3.25Å; L538-A541 CarbonylContact O-C 3.58Å; L538-A541 PolarHBondContact O-N 3.42Å; L538-R542 WeakPolarHBondContact O-CA 3.4Å; L538-R542 WeakPolarHBondContact O-CB 3.49Å; L538-R542 PolarHBondContact O-N 3.3Å
539L54.6Low57.8Low36 Ų3685.4 Ų85.419%0.18847%0.47CS..Hα-helixtrans-59.2-50.6-173.7-75.7168.6000113.7D508 P515 T536 A541 R542 Y543D508-L539 HydrophobicContact CB-CD1 3.67Å; D508-L539 VanDerWaalsContact CG-CD1 3.43Å; D508-L539 VanDerWaalsContact OD1-CD1 3.27Å; D508-L539 WeakPolarHBondContact OD1-CD1 3.38Å; P515-L539 HydrophobicContact CG-CD2 3.94Å; T536-L539 HydrophobicContact CG2-CD1 4.4Å; L539-A541 VanDerWaalsContact C-N 3.31Å; L539-A541 PolarHBondContact O-N 3.48Å; L539-R542 PolarHBondContact O-N 2.97Å; L539-Y543 HydrophobicContact CD2-CD2 4.25Å; L539-Y543 HydrophobicContact CD2-CE2 4.44Å; L539-Y543 PolarHBondContact O-N 3.44Å
540L60.8Low60.5Low43 Ų4380.3 Ų80.323%0.22544%0.437CS..Hα-helixtrans-65.6-34.7177.8-113.376.8000112.4L504 F507 L538 Y547L504-L540 HydrophobicContact CD2-CD1 4.05Å; L504-L540 HydrophobicContact CD2-CD2 4.5Å; F507-L540 HydrophobicContact CD2-CD1 3.89Å; F507-L540 HydrophobicContact CE2-CD1 4.5Å; L538-L540 PolarHBondContact O-N 3.25Å; L540-Y547 HydrophobicContact CD1-CD2 3.7Å; L540-Y547 HydrophobicContact CD1-CE2 4.14Å; L540-Y547 HydrophobicContact CD1-CG 4.08Å; L540-Y547 HydrophobicContact CD2-CD1 4.39Å; L540-Y547 HydrophobicContact CD2-CD2 4.39Å; L540-Y547 HydrophobicContact CD2-CE1 4.3Å; L540-Y547 HydrophobicContact CD2-CE2 4.33Å; L540-Y547 HydrophobicContact CD2-CG 4.41Å; L540-Y547 HydrophobicContact CG-CD1 4.38Å; L540-Y547 HydrophobicContact CG-CD2 4.1Å; L540-Y547 HydrophobicContact CG-CG 4.02Å
541A62.2Low63.2Low81 Ų8178 Ų7867%0.66941%0.414SS*.Hα-helixtrans-76.8-32.7-179.800000112.6L538 L539L538-A541 CarbonylContact O-C 3.58Å; L538-A541 PolarHBondContact O-N 3.42Å; L539-A541 VanDerWaalsContact C-N 3.31Å; L539-A541 PolarHBondContact O-N 3.48Å
542R63.2Low66.1Low143 Ų14377.6 Ų77.654%0.5440%0.401SS..Hα-helixtrans-89.9-27.4-174.7-167.5178.5-115.1-178.6-3.6111.9L538 L539L538-R542 WeakPolarHBondContact O-CA 3.4Å; L538-R542 WeakPolarHBondContact O-CB 3.49Å; L538-R542 PolarHBondContact O-N 3.3Å; L539-R542 PolarHBondContact O-N 2.97Å
543Y73.4Confident68.9Low22 Ų2272.6 Ų72.69%0.08637%0.366CS..  trans-134.561.7-176.8-53.2-79.4000113.1P515 T519 L539 E545 A546 Y547P515-Y543 HydrophobicContact CB-CD1 3.62Å; P515-Y543 HydrophobicContact CB-CD2 3.31Å; P515-Y543 HydrophobicContact CB-CE1 3.48Å; P515-Y543 VanDerWaalsContact CB-CE1 3.48Å; P515-Y543 HydrophobicContact CB-CE2 3.18Å; P515-Y543 HydrophobicContact CB-CG 3.53Å; P515-Y543 HydrophobicContact CG-CD2 3.96Å; P515-Y543 HydrophobicContact CG-CE2 4.11Å; P515-Y543 HydrophobicContact CG-CG 4.3Å; P515-Y543 VanDerWaalsContact O-CE1 3.29Å; P515-Y543 WeakPolarHBondContact O-CE1 3.33Å; P515-Y543 PolarHBondContact O-OH 3.4Å; T519-Y543 HydrophobicContact CG2-CE1 3.9Å; T519-Y543 PolarHBondContact OG1-OH 3.12Å; L539-Y543 HydrophobicContact CD2-CD2 4.25Å; L539-Y543 HydrophobicContact CD2-CE2 4.44Å; L539-Y543 PolarHBondContact O-N 3.44Å; Y543-E545 VanDerWaalsContact C-N 3.25Å; Y543-E545 PolarHBondContact O-N 3.27Å; Y543-A546 PolarHBondContact O-N 3.47Å; Y543-Y547 PolarHBondContact O-N 2.99Å
544P78.8Confident71.7Confident71 Ų7163.9 Ų63.946%0.46133%0.328SS..Hα-helixtrans-60.5-34.5-178.224.8-34.5000112.8A546 Y547 I548P544-A546 PolarHBondContact O-N 3.2Å; P544-Y547 PolarHBondContact O-N 3.06Å; P544-I548 VanDerWaalsContact O-CG1 3.28Å; P544-I548 WeakPolarHBondContact O-CG1 3.48Å; P544-I548 PolarHBondContact O-N 3.34Å
545E81.9Confident73.9Confident98 Ų9861.7 Ų61.746%0.45832%0.319SS..Hα-helixtrans-63.2-40.2177.9-62.6179.316600112.6K249 Y250 Y543 Y547 I548 Q549K249-E545 WeakPolarHBondContact CE-OE2 3.41Å; K249-E545 IonicContact NZ-OE1 3.02Å; K249-E545 IonicContact NZ-OE2 2.85Å; K249-E545 PolarHBondContact NZ-OE2 3.36Å; Y250-E545 HydrophobicContact CD2-CB 4.35Å; Y250-E545 HydrophobicContact CE2-CB 3.55Å; Y250-E545 WeakPolarHBondContact CE2-OE2 3.24Å; Y250-E545 PolarHBondContact OH-OE2 2.94Å; Y250-E545 VanDerWaalsContact OH-OE2 3.06Å; Y543-E545 VanDerWaalsContact C-N 3.25Å; Y543-E545 PolarHBondContact O-N 3.27Å; E545-Y547 VanDerWaalsContact C-N 3.35Å; E545-I548 PolarHBondContact O-N 3.49Å; E545-Q549 WeakPolarHBondContact O-CB 3.49Å; E545-Q549 PolarHBondContact O-N 2.92Å
546A83.7Confident76Confident2 Ų259.9 Ų59.92%0.01731%0.306CS..Hα-helixtrans-65.7-40.4178.600000111Y250 L511 Y543 P544 Q549 L550Y250-A546 HydrophobicContact CD1-CB 3.82Å; Y250-A546 HydrophobicContact CD2-CB 4.1Å; Y250-A546 HydrophobicContact CE1-CB 4.12Å; Y250-A546 HydrophobicContact CE2-CB 4.38Å; Y250-A546 HydrophobicContact CG-CB 3.81Å; L511-A546 HydrophobicContact CD1-CB 4.24Å; L511-A546 HydrophobicContact CD2-CB 4.04Å; Y543-A546 PolarHBondContact O-N 3.47Å; P544-A546 PolarHBondContact O-N 3.2Å; A546-Q549 PolarHBondContact O-N 3.48Å; A546-L550 WeakPolarHBondContact O-CB 3.42Å; A546-L550 PolarHBondContact O-N 3.44Å
547Y83.3Confident78.2Confident25 Ų2557.5 Ų57.510%0.09829%0.291CS..Hα-helixtrans-65.1-44.2175178.8-110.2000112.5F449 D453 F507 L540 Y543 P544 E545 Q549 L550 K551F449-Y547 HydrophobicContact CD1-CE2 4.34Å; F449-Y547 HydrophobicContact CE1-CE2 4.01Å; D453-Y547 PolarHBondContact OD1-OH 3.29Å; F507-Y547 HydrophobicContact CD1-CE2 4.4Å; F507-Y547 HydrophobicContact CD2-CD2 4.4Å; F507-Y547 AromaticContact CD2-CE2 3.96Å; F507-Y547 HydrophobicContact CD2-CE2 3.96Å; F507-Y547 HydrophobicContact CE1-CE2 4.13Å; F507-Y547 AromaticContact CE2-CE2 3.66Å; F507-Y547 HydrophobicContact CE2-CE2 3.66Å; F507-Y547 HydrophobicContact CG-CE2 4.32Å; F507-Y547 AromaticContact CZ-CE2 3.75Å; F507-Y547 HydrophobicContact CZ-CE2 3.75Å; L540-Y547 HydrophobicContact CD1-CD2 3.7Å; L540-Y547 HydrophobicContact CD1-CE2 4.14Å; L540-Y547 HydrophobicContact CD1-CG 4.08Å; L540-Y547 HydrophobicContact CD2-CD1 4.39Å; L540-Y547 HydrophobicContact CD2-CD2 4.39Å; L540-Y547 HydrophobicContact CD2-CE1 4.3Å; L540-Y547 HydrophobicContact CD2-CE2 4.33Å; L540-Y547 HydrophobicContact CD2-CG 4.41Å; L540-Y547 HydrophobicContact CG-CD1 4.38Å; L540-Y547 HydrophobicContact CG-CD2 4.1Å; L540-Y547 HydrophobicContact CG-CG 4.02Å; Y543-Y547 PolarHBondContact O-N 2.99Å; P544-Y547 PolarHBondContact O-N 3.06Å; E545-Y547 VanDerWaalsContact C-N 3.35Å; Y547-Q549 VanDerWaalsContact C-N 3.27Å; Y547-Q549 PolarHBondContact O-N 2.91Å; Y547-L550 PolarHBondContact O-N 3Å; Y547-K551 WeakPolarHBondContact O-CB 3.23Å; Y547-K551 PolarHBondContact O-N 3.41Å
548I84.8Confident80.1Confident113 Ų11351.8 Ų51.858%0.57927%0.267SS*.Hα-helixtrans-59.5-42.2175.9-69.1165000110.2P544 E545 K551 S552P544-I548 VanDerWaalsContact O-CG1 3.28Å; P544-I548 WeakPolarHBondContact O-CG1 3.48Å; P544-I548 PolarHBondContact O-N 3.34Å; E545-I548 PolarHBondContact O-N 3.49Å; I548-K551 PolarHBondContact O-N 2.92Å; I548-S552 WeakPolarHBondContact O-CB 3.26Å; I548-S552 PolarHBondContact O-N 3.26Å
549Q87.2Confident81.8Confident45 Ų4552.5 Ų52.521%0.2127%0.268CS..Hα-helixtrans-63.2-48.1176.7-173.555.370.100111.8T252 E545 A546 Y547 K551 S552 D553T252-Q549 HydrophobicContact CG2-CG 4.17Å; E545-Q549 WeakPolarHBondContact O-CB 3.49Å; E545-Q549 PolarHBondContact O-N 2.92Å; A546-Q549 PolarHBondContact O-N 3.48Å; Y547-Q549 VanDerWaalsContact C-N 3.27Å; Y547-Q549 PolarHBondContact O-N 2.91Å; Q549-K551 PolarHBondContact O-N 3.28Å; Q549-S552 WeakPolarHBondContact O-CB 3.32Å; Q549-S552 PolarHBondContact O-N 3.44Å; Q549-D553 VanDerWaalsContact NE2-CG 3.29Å; Q549-D553 PolarHBondContact NE2-OD1 2.76Å; Q549-D553 VanDerWaalsContact NE2-OD1 3.12Å; Q549-D553 PolarHBondContact NE2-OD2 3.12Å; Q549-D553 PolarHBondContact O-N 3.34Å
550L88.9Confident83.5Confident1 Ų151.3 Ų51.31%0.00526%0.264CS..Hα-helixtrans-57.4-47.7175.5176.361.6000112T252 F254 F449 F507 L510 L511 A546 Y547 S552 D553 A554T252-L550 HydrophobicContact CG2-CB 4.02Å; T252-L550 HydrophobicContact CG2-CD1 4.08Å; F254-L550 HydrophobicContact CD2-CD1 4.18Å; F254-L550 HydrophobicContact CE2-CD1 4.2Å; F449-L550 HydrophobicContact CE1-CD2 4.45Å; F449-L550 HydrophobicContact CE1-CG 4.22Å; F449-L550 HydrophobicContact CZ-CD2 4.17Å; F449-L550 HydrophobicContact CZ-CG 3.86Å; F507-L550 HydrophobicContact CB-CD2 4.24Å; F507-L550 HydrophobicContact CD1-CD2 4.04Å; F507-L550 HydrophobicContact CG-CD2 4.49Å; L510-L550 HydrophobicContact CB-CD1 3.75Å; L510-L550 HydrophobicContact CB-CD2 3.96Å; L511-L550 HydrophobicContact CD2-CB 3.97Å; L511-L550 HydrophobicContact CD2-CD2 4.27Å; L511-L550 HydrophobicContact CG-CD2 4.29Å; A546-L550 WeakPolarHBondContact O-CB 3.42Å; A546-L550 PolarHBondContact O-N 3.44Å; Y547-L550 PolarHBondContact O-N 3Å; L550-S552 VanDerWaalsContact C-N 3.32Å; L550-S552 PolarHBondContact O-N 3.43Å; L550-D553 PolarHBondContact O-N 2.94Å; L550-A554 WeakPolarHBondContact O-CB 3.28Å; L550-A554 PolarHBondContact O-N 2.74Å
551K89Confident85Confident80 Ų8049.3 Ų49.335%0.34825%0.253SS..Hα-helixtrans-59.8-43.5177.1178.9166.3-179.9165.30111.5F449 Y547 I548 Q549 T555F449-K551 HydrophobicContact CB-CD 4.35Å; F449-K551 HydrophobicContact CB-CG 4.08Å; F449-K551 HydrophobicContact CD1-CB 3.67Å; F449-K551 HydrophobicContact CD1-CD 4.13Å; F449-K551 HydrophobicContact CD1-CG 3.71Å; F449-K551 HydrophobicContact CE1-CB 3.95Å; F449-K551 HydrophobicContact CE1-CG 4.48Å; F449-K551 HydrophobicContact CG-CB 4.41Å; F449-K551 HydrophobicContact CG-CG 4.08Å; F449-K551 PolarHBondContact O-NZ 2.92Å; Y547-K551 WeakPolarHBondContact O-CB 3.23Å; Y547-K551 PolarHBondContact O-N 3.41Å; I548-K551 PolarHBondContact O-N 2.92Å; Q549-K551 PolarHBondContact O-N 3.28Å; K551-T555 VanDerWaalsContact O-CB 3.29Å; K551-T555 WeakPolarHBondContact O-CB 3.2Å; K551-T555 PolarHBondContact O-N 3.11Å; K551-T555 PolarHBondContact O-OG1 3.05Å
552S89.1Confident86.4Confident54 Ų5446 Ų4638%0.37823%0.227SC..Hα-helixtrans-62.2-47.8178-171.10000112I548 Q549 L550 T555 R556I548-S552 WeakPolarHBondContact O-CB 3.26Å; I548-S552 PolarHBondContact O-N 3.26Å; Q549-S552 WeakPolarHBondContact O-CB 3.32Å; Q549-S552 PolarHBondContact O-N 3.44Å; L550-S552 VanDerWaalsContact C-N 3.32Å; L550-S552 PolarHBondContact O-N 3.43Å; S552-T555 PolarHBondContact O-N 3.29Å; S552-R556 WeakPolarHBondContact O-CB 3.39Å; S552-R556 PolarHBondContact O-N 3.45Å
553D90.9Very high87.7Confident3 Ų346 Ų462%0.01623%0.227CC..Hα-helixtrans-67.3-43.4-179-70-25.3000112.2R248 T252 F254 Q549 L550 T555 R556 Y557R248-D553 IonicContact CZ-OD1 3.56Å; R248-D553 IonicContact CZ-OD2 3.5Å; R248-D553 VanDerWaalsContact NH1-CG 3.33Å; R248-D553 IonicContact NH1-OD1 2.69Å; R248-D553 PolarHBondContact NH1-OD1 2.89Å; R248-D553 IonicContact NH1-OD2 3.27Å; R248-D553 PolarHBondContact NH1-OD2 3.23Å; R248-D553 IonicContact NH2-OD1 3.19Å; R248-D553 PolarHBondContact NH2-OD1 3.12Å; T252-D553 HydrophobicContact CG2-CB 4.48Å; T252-D553 WeakPolarHBondContact CG2-OD2 3.3Å; T252-D553 WeakPolarHBondContact OG1-CB 3.16Å; T252-D553 PolarHBondContact OG1-OD2 3.38Å; F254-D553 HydrophobicContact CB-CB 4.15Å; Q549-D553 VanDerWaalsContact NE2-CG 3.29Å; Q549-D553 PolarHBondContact NE2-OD1 2.76Å; Q549-D553 VanDerWaalsContact NE2-OD1 3.12Å; Q549-D553 PolarHBondContact NE2-OD2 3.12Å; Q549-D553 PolarHBondContact O-N 3.34Å; L550-D553 PolarHBondContact O-N 2.94Å; D553-T555 PolarHBondContact O-N 2.88Å; D553-R556 PolarHBondContact O-N 3.47Å; D553-Y557 WeakPolarHBondContact O-CB 3.5Å; D553-Y557 PolarHBondContact O-N 3.48Å
554A91.3Very high88.6Confident0 Ų045.3 Ų45.30%022%0.224CC..Hα-helixtrans-63-42.1177.200000112.1F254 I445 F449 L550 Y557 S558F254-A554 HydrophobicContact CD2-CB 3.77Å; F254-A554 HydrophobicContact CE2-CB 3.45Å; F254-A554 VanDerWaalsContact CE2-CB 3.45Å; F254-A554 HydrophobicContact CZ-CB 4.12Å; I445-A554 HydrophobicContact CG2-CB 3.84Å; I445-A554 WeakPolarHBondContact CG2-O 3.26Å; F449-A554 HydrophobicContact CD2-CB 3.76Å; F449-A554 HydrophobicContact CE2-CB 3.25Å; F449-A554 HydrophobicContact CZ-CB 3.86Å; L550-A554 WeakPolarHBondContact O-CB 3.28Å; L550-A554 PolarHBondContact O-N 2.74Å; A554-Y557 PolarHBondContact O-N 3.29Å; A554-S558 VanDerWaalsContact O-CB 3.3Å; A554-S558 WeakPolarHBondContact O-CB 3.49Å; A554-S558 PolarHBondContact O-N 3.08Å
555T89.9Confident89.3Confident71 Ų7141.9 Ų41.944%0.43620%0.202SC..Hα-helixtrans-63.4-46.7177.6-57.10000110.8K551 S552 D553 Y557 S558 E559K551-T555 VanDerWaalsContact O-CB 3.29Å; K551-T555 WeakPolarHBondContact O-CB 3.2Å; K551-T555 PolarHBondContact O-N 3.11Å; K551-T555 PolarHBondContact O-OG1 3.05Å; S552-T555 PolarHBondContact O-N 3.29Å; D553-T555 PolarHBondContact O-N 2.88Å; T555-Y557 PolarHBondContact O-N 3.44Å; T555-S558 PolarHBondContact O-N 3.5Å; T555-E559 WeakPolarHBondContact O-CB 3.49Å; T555-E559 PolarHBondContact O-N 3.13Å
556R90.1Very high89.8Confident113 Ų11341.2 Ų41.243%0.42621%0.205SC..Hα-helixtrans-61.2-45177.7-173.2-173.5-62-174.33.9111.8E262 S552 D553 E559 A560E262-R556 WeakPolarHBondContact OE2-CD 3.2Å; E262-R556 WeakPolarHBondContact OE2-CG 3.16Å; S552-R556 WeakPolarHBondContact O-CB 3.39Å; S552-R556 PolarHBondContact O-N 3.45Å; D553-R556 PolarHBondContact O-N 3.47Å; R556-E559 PolarHBondContact O-N 2.88Å; R556-A560 WeakPolarHBondContact O-CB 3.35Å; R556-A560 PolarHBondContact O-N 2.84Å
557Y92.8Very high90.1Very high0 Ų043.6 Ų43.60%022%0.217CC..Hα-helixtrans-62.6-46177.2-175-90.7000111.8F254 L257 S260 F261 E262 L298 I445 D553 A554 T555 E559 A560 L561F254-Y557 AromaticContact CD1-CD1 3.71Å; F254-Y557 HydrophobicContact CD1-CD1 3.71Å; F254-Y557 HydrophobicContact CD1-CD2 4.11Å; F254-Y557 HydrophobicContact CD1-CE1 4.22Å; F254-Y557 AromaticContact CD1-CG 3.64Å; F254-Y557 HydrophobicContact CD1-CG 3.64Å; F254-Y557 AromaticContact CE1-CD1 3.87Å; F254-Y557 HydrophobicContact CE1-CD1 3.87Å; F254-Y557 HydrophobicContact CE1-CE1 4.26Å; F254-Y557 HydrophobicContact CE1-CG 4.26Å; F254-Y557 HydrophobicContact CG-CG 4.4Å; L257-Y557 HydrophobicContact CD1-CD2 4.18Å; L257-Y557 HydrophobicContact CD1-CE2 3.46Å; L257-Y557 VanDerWaalsContact CD1-CE2 3.46Å; S260-Y557 WeakPolarHBondContact OG-CD2 3.49Å; S260-Y557 WeakPolarHBondContact OG-CE2 3.26Å; F261-Y557 HydrophobicContact CD2-CE2 4.43Å; F261-Y557 AromaticContact CD2-CZ 3.96Å; F261-Y557 WeakPolarHBondContact CD2-OH 3.46Å; E262-Y557 HydrophobicContact CG-CD2 4.48Å; L298-Y557 HydrophobicContact CD1-CE1 4.27Å; I445-Y557 HydrophobicContact CD1-CD1 4.12Å; I445-Y557 HydrophobicContact CD1-CE1 4.41Å; D553-Y557 WeakPolarHBondContact O-CB 3.5Å; D553-Y557 PolarHBondContact O-N 3.48Å; A554-Y557 PolarHBondContact O-N 3.29Å; T555-Y557 PolarHBondContact O-N 3.44Å; Y557-E559 VanDerWaalsContact C-N 3.35Å; Y557-E559 PolarHBondContact O-N 2.92Å; Y557-A560 PolarHBondContact O-N 3.14Å; Y557-L561 HydrophobicContact CE1-CD2 4.32Å; Y557-L561 WeakPolarHBondContact O-CB 3.2Å; Y557-L561 PolarHBondContact O-N 3.32Å
558S92.2Very high90.5Very high8 Ų842.4 Ų42.46%0.05621%0.212CC..Hα-helixtrans-59.7-43.6177.3-177.10000112R442 A554 T555 L561 G562R442-S558 WeakPolarHBondContact CG-O 3.42Å; R442-S558 WeakPolarHBondContact CG-OG 3.22Å; R442-S558 PolarHBondContact O-OG 3.41Å; A554-S558 VanDerWaalsContact O-CB 3.3Å; A554-S558 WeakPolarHBondContact O-CB 3.49Å; A554-S558 PolarHBondContact O-N 3.08Å; T555-S558 PolarHBondContact O-N 3.5Å; S558-L561 PolarHBondContact O-N 3.24Å; S558-G562 PolarHBondContact O-N 3.35Å
559E89.2Confident90.9Very high94 Ų9437.8 Ų37.844%0.43919%0.188SC..Hα-helixtrans-65.1-44.1177.7-169.1-175.9-173.800111.7T555 R556 Y557 L561 G562 R563T555-E559 WeakPolarHBondContact O-CB 3.49Å; T555-E559 PolarHBondContact O-N 3.13Å; R556-E559 PolarHBondContact O-N 2.88Å; Y557-E559 VanDerWaalsContact C-N 3.35Å; Y557-E559 PolarHBondContact O-N 2.92Å; E559-L561 PolarHBondContact O-N 3.18Å; E559-G562 PolarHBondContact O-N 3Å; E559-R563 WeakPolarHBondContact O-CG 3.32Å; E559-R563 PolarHBondContact O-N 3.26Å; E559-R563 IonicContact OE1-CZ 3.02Å; E559-R563 IonicContact OE1-NE 2.99Å; E559-R563 IonicContact OE1-NH2 2.69Å; E559-R563 PolarHBondContact OE1-NH2 3.44Å; E559-R563 IonicContact OE2-NH2 2.67Å; E559-R563 PolarHBondContact OE2-NH2 3.35Å
560A90.9Very high90.8Very high11 Ų1137.1 Ų37.19%0.09119%0.193CC..Hα-helixtrans-61.2-43.7175.800000112.2E262 R556 Y557 G562 R563 F564E262-A560 HydrophobicContact CB-CB 4.22Å; E262-A560 HydrophobicContact CG-CB 3.67Å; R556-A560 WeakPolarHBondContact O-CB 3.35Å; R556-A560 PolarHBondContact O-N 2.84Å; Y557-A560 PolarHBondContact O-N 3.14Å; A560-G562 VanDerWaalsContact C-N 3.32Å; A560-G562 PolarHBondContact O-N 3.25Å; A560-R563 PolarHBondContact O-N 3.15Å; A560-F564 PolarHBondContact O-N 2.89Å
561L93.3Very high90.8Very high0 Ų037 Ų370%019%0.193CC..Hα-helixtrans-62.4-40175.6-17657.4000111.6F261 L438 R442 Y557 S558 E559 F564 L565F261-L561 HydrophobicContact CB-CD1 4.3Å; F261-L561 HydrophobicContact CD1-CD1 3.85Å; F261-L561 HydrophobicContact CD2-CD1 3.78Å; F261-L561 HydrophobicContact CE1-CD1 4.02Å; F261-L561 HydrophobicContact CE2-CD1 3.98Å; F261-L561 HydrophobicContact CG-CD1 3.71Å; F261-L561 HydrophobicContact CZ-CD1 4.1Å; L438-L561 HydrophobicContact CB-CD1 4.22Å; L438-L561 HydrophobicContact CB-CD2 4.49Å; L438-L561 HydrophobicContact CD1-CD1 4.42Å; L438-L561 HydrophobicContact CD2-CD1 4.27Å; L438-L561 HydrophobicContact CD2-CD2 4.49Å; R442-L561 HydrophobicContact CB-CD2 4.02Å; R442-L561 HydrophobicContact CB-CG 4.34Å; Y557-L561 HydrophobicContact CE1-CD2 4.32Å; Y557-L561 WeakPolarHBondContact O-CB 3.2Å; Y557-L561 PolarHBondContact O-N 3.32Å; S558-L561 PolarHBondContact O-N 3.24Å; E559-L561 PolarHBondContact O-N 3.18Å; L561-F564 PolarHBondContact O-N 3Å; L561-L565 HydrophobicContact CD1-CD1 4.36Å; L561-L565 HydrophobicContact CD1-CG 4.32Å; L561-L565 HydrophobicContact CG-CD1 4.1Å; L561-L565 WeakPolarHBondContact O-CB 3.2Å; L561-L565 VanDerWaalsContact O-CG 3.29Å; L561-L565 WeakPolarHBondContact O-CG 3.41Å; L561-L565 PolarHBondContact O-N 3.23Å
562G91.5Very high90.9Very high11 Ų1133.3 Ų33.311%0.11318%0.176CC..Hα-helixtrans-56.5-52.9172.800000112.3R442 S558 E559 A560 F564 L565 T566R442-G562 VanDerWaalsContact CD-CA 3.48Å; S558-G562 PolarHBondContact O-N 3.35Å; E559-G562 PolarHBondContact O-N 3Å; A560-G562 VanDerWaalsContact C-N 3.32Å; A560-G562 PolarHBondContact O-N 3.25Å; G562-F564 VanDerWaalsContact C-N 3.33Å; G562-F564 PolarHBondContact O-N 3.48Å; G562-L565 PolarHBondContact O-N 3.16Å; G562-T566 PolarHBondContact O-N 2.76Å; G562-T566 PolarHBondContact O-OG1 2.8Å
563R89.7Confident90.9Very high145 Ų14533.3 Ų33.355%0.54718%0.18SC..Hα-helixtrans-58.2-43.4177.3-64.6178.1-164.7137.9-5.1112E559 A560 T566 L567E559-R563 WeakPolarHBondContact O-CG 3.32Å; E559-R563 PolarHBondContact O-N 3.26Å; E559-R563 IonicContact OE1-CZ 3.02Å; E559-R563 IonicContact OE1-NE 2.99Å; E559-R563 IonicContact OE1-NH2 2.69Å; E559-R563 PolarHBondContact OE1-NH2 3.44Å; E559-R563 IonicContact OE2-NH2 2.67Å; E559-R563 PolarHBondContact OE2-NH2 3.35Å; A560-R563 PolarHBondContact O-N 3.15Å; R563-T566 PolarHBondContact O-N 3.34Å; R563-L567 WeakPolarHBondContact O-CG 3.33Å; R563-L567 PolarHBondContact O-N 3.36Å
564F93.3Very high90.6Very high6 Ų635.7 Ų35.73%0.02620%0.197CC..Hα-helixtrans-59.9-47.7176.6178.3-87.8000111.7F261 I264 L286 F291 L406 A560 L561 G562 T566 L567 I568F261-F564 HydrophobicContact CD1-CB 4.3Å; F261-F564 AromaticContact CD1-CD1 3.8Å; F261-F564 HydrophobicContact CD1-CD1 3.8Å; F261-F564 HydrophobicContact CD1-CD2 4.08Å; F261-F564 HydrophobicContact CD1-CE1 4.18Å; F261-F564 HydrophobicContact CD1-CE2 4.42Å; F261-F564 AromaticContact CD1-CG 3.77Å; F261-F564 HydrophobicContact CD1-CG 3.77Å; F261-F564 HydrophobicContact CD1-CZ 4.48Å; F261-F564 AromaticContact CE1-CD1 3.82Å; F261-F564 HydrophobicContact CE1-CD1 3.82Å; F261-F564 AromaticContact CE1-CE1 3.81Å; F261-F564 HydrophobicContact CE1-CE1 3.81Å; F261-F564 HydrophobicContact CE1-CG 4.25Å; F261-F564 HydrophobicContact CE1-CZ 4.2Å; I264-F564 HydrophobicContact CB-CD2 4.29Å; I264-F564 HydrophobicContact CB-CE2 4.39Å; I264-F564 HydrophobicContact CD1-CE2 4.34Å; I264-F564 HydrophobicContact CG2-CD2 4.09Å; I264-F564 HydrophobicContact CG2-CE2 3.8Å; L286-F564 HydrophobicContact CB-CE2 4.37Å; L286-F564 HydrophobicContact CD1-CD2 4.21Å; L286-F564 HydrophobicContact CD1-CE2 3.77Å; L286-F564 HydrophobicContact CD1-CZ 4.19Å; L286-F564 HydrophobicContact CD2-CD2 4.19Å; L286-F564 HydrophobicContact CD2-CE2 3.97Å; L286-F564 HydrophobicContact CG-CE2 4.26Å; F291-F564 HydrophobicContact CB-CZ 4.28Å; F291-F564 AromaticContact CD2-CE1 3.5Å; F291-F564 HydrophobicContact CD2-CE1 3.5Å; F291-F564 VanDerWaalsContact CD2-CE1 3.5Å; F291-F564 HydrophobicContact CD2-CE2 4.4Å; F291-F564 AromaticContact CD2-CZ 3.31Å; F291-F564 HydrophobicContact CD2-CZ 3.31Å; F291-F564 AromaticContact CE2-CE1 3.6Å; F291-F564 HydrophobicContact CE2-CE1 3.6Å; F291-F564 AromaticContact CE2-CZ 3.91Å; F291-F564 HydrophobicContact CE2-CZ 3.91Å; F291-F564 HydrophobicContact CG-CZ 4.08Å; L406-F564 HydrophobicContact CD1-CZ 4.1Å; A560-F564 PolarHBondContact O-N 2.89Å; L561-F564 PolarHBondContact O-N 3Å; G562-F564 VanDerWaalsContact C-N 3.33Å; G562-F564 PolarHBondContact O-N 3.48Å; F564-T566 VanDerWaalsContact C-N 3.33Å; F564-T566 PolarHBondContact O-N 3.3Å; F564-L567 WeakPolarHBondContact O-CB 3.44Å; F564-L567 PolarHBondContact O-N 3.16Å; F564-L567 VanDerWaalsContact O-N 3.16Å; F564-I568 HydrophobicContact CD1-CG1 4.33Å; F564-I568 HydrophobicContact CE1-CD1 4.4Å; F564-I568 HydrophobicContact CE1-CG1 3.75Å; F564-I568 HydrophobicContact CZ-CD1 4.19Å; F564-I568 HydrophobicContact CZ-CG1 4.02Å; F564-I568 PolarHBondContact O-N 2.6Å
565L93.7Very high90.4Very high0 Ų036.7 Ų36.70%020%0.202CC..Hα-helixtrans-64.5-36179.3-69.8169.6000112.3C435 L438 N439 L561 G562 L567 I568 E569 F581C435-L565 HydrophobicContact CB-CD2 3.8Å; L438-L565 HydrophobicContact CB-CD1 4.24Å; L438-L565 HydrophobicContact CB-CD2 3.99Å; L438-L565 HydrophobicContact CD1-CD2 4.47Å; N439-L565 HydrophobicContact CB-CD1 4.06Å; L561-L565 HydrophobicContact CD1-CD1 4.36Å; L561-L565 HydrophobicContact CD1-CG 4.32Å; L561-L565 HydrophobicContact CG-CD1 4.1Å; L561-L565 WeakPolarHBondContact O-CB 3.2Å; L561-L565 VanDerWaalsContact O-CG 3.29Å; L561-L565 WeakPolarHBondContact O-CG 3.41Å; L561-L565 PolarHBondContact O-N 3.23Å; G562-L565 PolarHBondContact O-N 3.16Å; L565-L567 VanDerWaalsContact C-N 3.29Å; L565-L567 PolarHBondContact O-N 2.96Å; L565-I568 PolarHBondContact O-N 2.92Å; L565-E569 WeakPolarHBondContact O-CB 3.42Å; L565-E569 PolarHBondContact O-N 2.92Å; L565-F581 HydrophobicContact CB-CE1 4.25Å; L565-F581 HydrophobicContact CB-CZ 3.71Å
566T90.9Very high90.3Very high83 Ų8340.9 Ų40.951%0.50922%0.222SC..Hα-helixtrans-60.9-37.5173.5-55.10000112.2G562 R563 F564 G570G562-T566 PolarHBondContact O-N 2.76Å; G562-T566 PolarHBondContact O-OG1 2.8Å; R563-T566 PolarHBondContact O-N 3.34Å; F564-T566 VanDerWaalsContact C-N 3.33Å; F564-T566 PolarHBondContact O-N 3.3Å; T566-G570 PolarHBondContact O-N 2.99Å
567L90.6Very high90.3Very high52 Ų5236.4 Ų36.427%0.27221%0.206SC..Hα-helixtrans-65.8-41.3175.7-66179.8000112.2P266 P282 L286 R563 F564 L565 L571P266-L567 HydrophobicContact CG-CD1 3.76Å; P282-L567 HydrophobicContact CB-CD2 3.98Å; L286-L567 HydrophobicContact CD1-CB 3.9Å; L286-L567 HydrophobicContact CD1-CD1 4.29Å; L286-L567 HydrophobicContact CD2-CD1 4.12Å; R563-L567 WeakPolarHBondContact O-CG 3.33Å; R563-L567 PolarHBondContact O-N 3.36Å; F564-L567 WeakPolarHBondContact O-CB 3.44Å; F564-L567 PolarHBondContact O-N 3.16Å; F564-L567 VanDerWaalsContact O-N 3.16Å; L565-L567 VanDerWaalsContact C-N 3.29Å; L565-L567 PolarHBondContact O-N 2.96Å; L567-L571 PolarHBondContact O-N 3.2Å; L567-L571 VanDerWaalsContact O-N 3.15Å
568I92.6Very high90.2Very high0 Ų040.8 Ų40.80%023%0.229CC..Hα-helixtrans-70.4-41176.6-58.2-66.1000111.1L286 L406 I431 F564 L565 G570 L571 L572 I580L286-I568 HydrophobicContact CD1-CD1 3.43Å; L286-I568 VanDerWaalsContact CD1-CD1 3.43Å; L286-I568 HydrophobicContact CD1-CG1 4.02Å; L406-I568 HydrophobicContact CB-CD1 4.38Å; L406-I568 HydrophobicContact CD1-CD1 3.53Å; I431-I568 HydrophobicContact CG2-CG2 4.1Å; F564-I568 HydrophobicContact CD1-CG1 4.33Å; F564-I568 HydrophobicContact CE1-CD1 4.4Å; F564-I568 HydrophobicContact CE1-CG1 3.75Å; F564-I568 HydrophobicContact CZ-CD1 4.19Å; F564-I568 HydrophobicContact CZ-CG1 4.02Å; F564-I568 PolarHBondContact O-N 2.6Å; L565-I568 PolarHBondContact O-N 2.92Å; I568-G570 VanDerWaalsContact C-N 3.3Å; I568-G570 PolarHBondContact O-N 2.74Å; I568-L571 WeakPolarHBondContact O-CB 3.4Å; I568-L571 PolarHBondContact O-N 2.7Å; I568-L571 VanDerWaalsContact O-N 3.13Å; I568-L572 HydrophobicContact CG2-CD1 4.13Å; I568-L572 HydrophobicContact CG2-CG 4.16Å; I568-L572 WeakPolarHBondContact O-CG 3.34Å; I568-L572 PolarHBondContact O-N 2.75Å; I568-I580 HydrophobicContact CB-CD1 4.05Å; I568-I580 HydrophobicContact CG2-CD1 3.74Å
569E91.4Very high90Very high17 Ų1747.1 Ų47.18%0.07925%0.252CS..Hα-helixtrans-56.3-46.5174.2176.379.4169.100110.6L565 L571 L572 A573 R579 I580 F581L565-E569 WeakPolarHBondContact O-CB 3.42Å; L565-E569 PolarHBondContact O-N 2.92Å; E569-L571 VanDerWaalsContact C-N 3.3Å; E569-L571 PolarHBondContact O-N 2.99Å; E569-L572 PolarHBondContact O-N 2.97Å; E569-A573 VanDerWaalsContact O-CB 3.29Å; E569-A573 WeakPolarHBondContact O-CB 3.2Å; E569-A573 PolarHBondContact O-N 3.03Å; E569-R579 IonicContact OE1-CZ 3.48Å; E569-R579 IonicContact OE1-NE 3.62Å; E569-R579 PolarHBondContact OE1-NE 3.49Å; E569-R579 IonicContact OE1-NH2 3.34Å; E569-R579 PolarHBondContact OE1-NH2 3.34Å; E569-I580 HydrophobicContact CB-CD1 4.33Å; E569-I580 WeakPolarHBondContact OE2-CA 3.37Å; E569-I580 VanDerWaalsContact OE2-CB 3.3Å; E569-I580 WeakPolarHBondContact OE2-CB 3.42Å; E569-I580 PolarHBondContact OE2-N 3.46Å; E569-F581 HydrophobicContact CB-CD2 3.96Å; E569-F581 HydrophobicContact CB-CE2 3.66Å; E569-F581 HydrophobicContact CG-CD2 3.64Å; E569-F581 HydrophobicContact CG-CE2 3.85Å
570G86.9Confident90.1Very high30 Ų3042.7 Ų42.731%0.30923%0.231SC..Hα-helixtrans-60.8-38.6176.600000113L281 T566 I568 S574L281-G570 VanDerWaalsContact CD1-O 3.25Å; L281-G570 WeakPolarHBondContact CD1-O 3.34Å; T566-G570 PolarHBondContact O-N 2.99Å; I568-G570 VanDerWaalsContact C-N 3.3Å; I568-G570 PolarHBondContact O-N 2.74Å; G570-S574 PolarHBondContact O-N 3.38Å; G570-S574 PolarHBondContact O-OG 2.93Å
571L88.1Confident90.1Very high0 Ų043.4 Ų43.40%023%0.232CC..Hα-helixtrans-68.5-41175172.862.8000112.8D284 L410 L567 I568 E569 S574 L575D284-L571 WeakPolarHBondContact OD1-CD1 3.33Å; L410-L571 HydrophobicContact CD1-CD2 3.66Å; L410-L571 HydrophobicContact CD1-CG 4.08Å; L567-L571 PolarHBondContact O-N 3.2Å; L567-L571 VanDerWaalsContact O-N 3.15Å; I568-L571 WeakPolarHBondContact O-CB 3.4Å; I568-L571 PolarHBondContact O-N 2.7Å; I568-L571 VanDerWaalsContact O-N 3.13Å; E569-L571 VanDerWaalsContact C-N 3.3Å; E569-L571 PolarHBondContact O-N 2.99Å; L571-S574 PolarHBondContact O-N 3.32Å; L571-S574 PolarHBondContact O-OG 3.16Å; L571-L575 HydrophobicContact CD1-CD1 4.07Å; L571-L575 HydrophobicContact CG-CD1 4.45Å; L571-L575 WeakPolarHBondContact O-CG 3.32Å; L571-L575 PolarHBondContact O-N 3.12Å
572L90.9Very high89.6Confident1 Ų145.5 Ų45.51%0.00525%0.245CC..Hα-helixtrans-66.7-41.9176.1-68.3178.5000110.5L410 Y428 L432 I568 E569 S574 L575 D576 L577 I580L410-L572 HydrophobicContact CD1-CD2 3.91Å; L410-L572 HydrophobicContact CD2-CD2 4.2Å; Y428-L572 HydrophobicContact CD2-CD2 4Å; Y428-L572 HydrophobicContact CE2-CD2 4.02Å; L432-L572 HydrophobicContact CD1-CD1 4.18Å; I568-L572 HydrophobicContact CG2-CD1 4.13Å; I568-L572 HydrophobicContact CG2-CG 4.16Å; I568-L572 WeakPolarHBondContact O-CG 3.34Å; I568-L572 PolarHBondContact O-N 2.75Å; E569-L572 PolarHBondContact O-N 2.97Å; L572-S574 PolarHBondContact O-N 3.49Å; L572-L575 CarbonylContact O-C 3.55Å; L572-L575 PolarHBondContact O-N 3.17Å; L572-L575 VanDerWaalsContact O-N 3.16Å; L572-D576 PolarHBondContact O-N 3.15Å; L572-L577 HydrophobicContact CB-CB 4.15Å; L572-L577 HydrophobicContact CD2-CB 4.1Å; L572-L577 HydrophobicContact CD2-CD1 3.68Å; L572-L577 WeakPolarHBondContact O-CB 3.2Å; L572-L577 PolarHBondContact O-N 3.22Å; L572-I580 HydrophobicContact CD1-CD1 3.74Å; L572-I580 HydrophobicContact CD1-CG1 3.76Å
573A88.2Confident88.7Confident55 Ų5548 Ų4846%0.45527%0.271SS..Hα-helixtrans-63.2-38.3176.500000112.4E569 L575 D576E569-A573 VanDerWaalsContact O-CB 3.29Å; E569-A573 WeakPolarHBondContact O-CB 3.2Å; E569-A573 PolarHBondContact O-N 3.03Å; A573-L575 PolarHBondContact O-N 3.41Å; A573-D576 PolarHBondContact O-N 3.06Å
574S86.3Confident87.3Confident52 Ų5244 Ų4436%0.36427%0.265SS..THydrogen-bonded Turntrans-70.9-10.9176.768.30000114.4G570 L571 L572G570-S574 PolarHBondContact O-N 3.38Å; G570-S574 PolarHBondContact O-OG 2.93Å; L571-S574 PolarHBondContact O-N 3.32Å; L571-S574 PolarHBondContact O-OG 3.16Å; L572-S574 PolarHBondContact O-N 3.49Å
575L86.9Confident85.8Confident22 Ų2244.8 Ų44.812%0.11527%0.269CS..THydrogen-bonded Turntrans-107.910175.9-61.7174.6000112.2L410 R411 L571 L572 A573 L577L410-L575 HydrophobicContact CB-CD1 3.85Å; R411-L575 HydrophobicContact CG-CD1 4.17Å; R411-L575 HydrophobicContact CG-CD2 3.82Å; L571-L575 HydrophobicContact CD1-CD1 4.07Å; L571-L575 HydrophobicContact CG-CD1 4.45Å; L571-L575 WeakPolarHBondContact O-CG 3.32Å; L571-L575 PolarHBondContact O-N 3.12Å; L572-L575 CarbonylContact O-C 3.55Å; L572-L575 PolarHBondContact O-N 3.17Å; L572-L575 VanDerWaalsContact O-N 3.16Å; A573-L575 PolarHBondContact O-N 3.41Å; L575-L577 HydrophobicContact CB-CD1 3.72Å; L575-L577 HydrophobicContact CB-CG 3.78Å; L575-L577 HydrophobicContact CD1-CD1 4.04Å; L575-L577 PolarHBondContact O-N 3.29Å
576D87.1Confident84Confident159 Ų15948.1 Ų48.185%0.8529%0.292SS*.THydrogen-bonded Turntrans53.836.2-175.3-64.9-43.9000113.6L572 A573L572-D576 PolarHBondContact O-N 3.15Å; A573-D576 PolarHBondContact O-N 3.06Å
577L89.5Confident81.9Confident19 Ų1954.2 Ų54.210%0.09931%0.307CS..PPolyproline II helixtrans-95.9167.1-180-61174.3000112.4L410 V414 I420 Y428 L572 L575L410-L577 HydrophobicContact CD2-CD1 4.41Å; V414-L577 HydrophobicContact CG2-CD1 4.03Å; V414-L577 HydrophobicContact CG2-CD2 4.18Å; I420-L577 HydrophobicContact CD1-CD2 3.4Å; Y428-L577 HydrophobicContact CD2-CB 4.36Å; Y428-L577 HydrophobicContact CD2-CD1 3.64Å; Y428-L577 HydrophobicContact CD2-CD2 4.31Å; Y428-L577 HydrophobicContact CD2-CG 4.32Å; Y428-L577 HydrophobicContact CE2-CB 3.62Å; Y428-L577 HydrophobicContact CE2-CD1 3.8Å; Y428-L577 HydrophobicContact CE2-CD2 4.04Å; Y428-L577 HydrophobicContact CE2-CG 4.02Å; Y428-L577 HydrophobicContact CG-CD1 4.4Å; L572-L577 HydrophobicContact CB-CB 4.15Å; L572-L577 HydrophobicContact CD2-CB 4.1Å; L572-L577 HydrophobicContact CD2-CD1 3.68Å; L572-L577 WeakPolarHBondContact O-CB 3.2Å; L572-L577 PolarHBondContact O-N 3.22Å; L575-L577 HydrophobicContact CB-CD1 3.72Å; L575-L577 HydrophobicContact CB-CG 3.78Å; L575-L577 HydrophobicContact CD1-CD1 4.04Å; L575-L577 PolarHBondContact O-N 3.29Å
578N90.6Very high81.5Confident91 Ų9154.3 Ų54.349%0.48731%0.309SS..PPolyproline II helixtrans-62.3143.5-179.3-69.4-42.5000111.8Y428 L432Y428-N578 WeakPolarHBondContact OH-CB 3.45Å; Y428-N578 PolarHBondContact OH-N 2.81Å; Y428-N578 PolarHBondContact OH-ND2 3.47Å; Y428-N578 VanDerWaalsContact OH-ND2 3.11Å; L432-N578 HydrophobicContact CD1-CB 4.27Å; L432-N578 WeakPolarHBondContact CD1-O 3.38Å; L432-N578 HydrophobicContact CD2-CB 3.83Å
579R88.3Confident80.9Confident142 Ų14257.2 Ų57.254%0.53633%0.325SS..PPolyproline II helixtrans-74.5148.4-179.8-57.3-172.264.8-165.5-4113R436 E569R436-R579 PolarHBondContact NE-O 3.49Å; R436-R579 PolarHBondContact NH2-O 3.35Å; E569-R579 IonicContact OE1-CZ 3.48Å; E569-R579 IonicContact OE1-NE 3.62Å; E569-R579 PolarHBondContact OE1-NE 3.49Å; E569-R579 IonicContact OE1-NH2 3.34Å; E569-R579 PolarHBondContact OE1-NH2 3.34Å
580I91.7Very high80.3Confident0 Ų059.4 Ų59.40%034%0.339CS..SBendtrans-80.7-44.9169.9-63.9160.2000109.8L432 C435 R436 N439 I568 E569 L572L432-I580 HydrophobicContact CD1-CG1 4.35Å; C435-I580 HydrophobicContact CB-CD1 3.5Å; C435-I580 VanDerWaalsContact CB-CD1 3.5Å; C435-I580 HydrophobicContact CB-CG1 3.69Å; C435-I580 HydrophobicContact CB-CG2 4.09Å; R436-I580 HydrophobicContact CG-CG2 4.42Å; N439-I580 HydrophobicContact CB-CG2 4.1Å; I568-I580 HydrophobicContact CB-CD1 4.05Å; I568-I580 HydrophobicContact CG2-CD1 3.74Å; E569-I580 HydrophobicContact CB-CD1 4.33Å; E569-I580 WeakPolarHBondContact OE2-CA 3.37Å; E569-I580 VanDerWaalsContact OE2-CB 3.3Å; E569-I580 WeakPolarHBondContact OE2-CB 3.42Å; E569-I580 PolarHBondContact OE2-N 3.46Å; L572-I580 HydrophobicContact CD1-CD1 3.74Å; L572-I580 HydrophobicContact CD1-CG1 3.76Å
581F90.6Very high79.9Confident26 Ų2661.1 Ų61.111%0.11434%0.341CS..  trans-87.3147.9-175.8-57.6-54.5000112.2N439 L565 E569 E585N439-F581 HydrophobicContact CB-CE1 4.43Å; N439-F581 WeakPolarHBondContact OD1-CE1 3.39Å; L565-F581 HydrophobicContact CB-CE1 4.25Å; L565-F581 HydrophobicContact CB-CZ 3.71Å; E569-F581 HydrophobicContact CB-CD2 3.96Å; E569-F581 HydrophobicContact CB-CE2 3.66Å; E569-F581 HydrophobicContact CG-CD2 3.64Å; E569-F581 HydrophobicContact CG-CE2 3.85Å; F581-E585 VanDerWaalsContact CA-OE1 3.27Å; F581-E585 WeakPolarHBondContact CA-OE1 3.45Å
582T82.8Confident79.4Confident44 Ų4464.9 Ų64.927%0.2736%0.362SS..  trans-89.6-17.6175.366.30000112R479 P483 F484 S584 E585R479-T582 VanDerWaalsContact O-CG2 3.29Å; R479-T582 WeakPolarHBondContact O-CG2 3.45Å; R479-T582 PolarHBondContact O-OG1 3.23Å; P483-T582 HydrophobicContact CB-CG2 4.26Å; P483-T582 HydrophobicContact CG-CG2 3.79Å; F484-T582 HydrophobicContact CE2-CG2 3.59Å; F484-T582 HydrophobicContact CZ-CG2 3.66Å; T582-S584 VanDerWaalsContact C-N 3.3Å; T582-S584 PolarHBondContact OG1-N 3.16Å; T582-S584 PolarHBondContact OG1-OG 3.08Å; T582-E585 PolarHBondContact N-OE1 3.21Å; T582-E585 PolarHBondContact N-OE2 3.48Å; T582-E585 VanDerWaalsContact N-OE2 3.13Å; T582-E585 PolarHBondContact OG1-OE1 2.96Å; T582-E585 PolarHBondContact OG1-OE2 3.32Å
583G72Confident78.6Confident63 Ų6369.2 Ų69.265%0.64939%0.386SS*.SBendtrans84.71.7-171.900000113.5E585G583-E585 PolarHBondContact N-OE2 3.13Å
584S60.7Low77.9Confident61 Ų6170.2 Ų70.243%0.42738%0.381SS..  trans-98.7-0.9175.270.60000113.4R479 T582R479-S584 WeakPolarHBondContact CD-O 3.45Å; R479-S584 PolarHBondContact NE-O 3.18Å; R479-S584 PolarHBondContact O-OG 2.91Å; T582-S584 VanDerWaalsContact C-N 3.3Å; T582-S584 PolarHBondContact OG1-N 3.16Å; T582-S584 PolarHBondContact OG1-OG 3.08Å
585E63.2Low77.3Confident23 Ų2371.6 Ų71.611%0.10738%0.382CS..SBendtrans-75.1150.8176.9-56.796.3161.100111.9N439 E443 F581 T582 G583 Y587N439-E585 PolarHBondContact ND2-OE1 3.28Å; E443-E585 HydrophobicContact CG-CG 4.39Å; F581-E585 VanDerWaalsContact CA-OE1 3.27Å; F581-E585 WeakPolarHBondContact CA-OE1 3.45Å; T582-E585 PolarHBondContact N-OE1 3.21Å; T582-E585 PolarHBondContact N-OE2 3.48Å; T582-E585 VanDerWaalsContact N-OE2 3.13Å; T582-E585 PolarHBondContact OG1-OE1 2.96Å; T582-E585 PolarHBondContact OG1-OE2 3.32Å; G583-E585 PolarHBondContact N-OE2 3.13Å; E585-Y587 VanDerWaalsContact C-N 3.25Å; E585-Y587 PolarHBondContact O-N 3.37Å
586S55.1Low76.5Confident70 Ų7075.8 Ų75.849%0.4941%0.405SS..  trans-74-8.6-172.2-18.50000115.1E443E443-S586 PolarHBondContact OE2-OG 3.16Å
587Y46.4Very low75.5Confident211 Ų21168.2 Ų68.283%0.82736%0.364SS*.  trans-131.70-158.8-102.7-86.1000114.6H446 E585H446-Y587 AromaticContact CE1-CE2 3.56Å; H446-Y587 AromaticContact ND1-CE2 3.92Å; E585-Y587 VanDerWaalsContact C-N 3.25Å; E585-Y587 PolarHBondContact O-N 3.37Å

Retrieved 587 of 587 residues in 125.5 ms (Link to these results)

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