A0A5K4EPL3_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 A0A5K4EPL3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 496 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
1M89.3Confident84.7Confident83 Ų8351.5 Ų51.541%0.40926%0.258SS..  0137.50176179.7177.700108.3L22 R82 W83 A86M1-L22 HydrophobicContact CB-CB 4.26Å; M1-L22 PolarHBondContact N-O 3.34Å; M1-L22 PolarHBondContact O-N 3.27Å; M1-R82 HydrophobicContact CE-CB 3.9Å; M1-W83 HydrophobicContact CE-CB 4.24Å; M1-W83 HydrophobicContact CE-CD2 3.43Å; M1-W83 VanDerWaalsContact CE-CD2 3.43Å; M1-W83 HydrophobicContact CE-CE3 4Å; M1-W83 HydrophobicContact CE-CG 3.52Å; M1-W83 HydrophobicContact CE-CZ2 4.15Å; M1-W83 HydrophobicContact CG-CH2 4.36Å; M1-W83 HydrophobicContact CG-CZ3 4.32Å; M1-W83 HydrophobicContact SD-CD2 3.96Å; M1-W83 HydrophobicContact SD-CE3 3.89Å; M1-W83 HydrophobicContact SD-CG 4.36Å; M1-W83 HydrophobicContact SD-CZ3 4.27Å; M1-A86 HydrophobicContact CB-CB 4.22Å; M1-A86 HydrophobicContact CG-CB 4.4Å; M1-A86 HydrophobicContact SD-CB 3.28Å; M1-A86 WeakPolarHBondContact SD-CB 3.37Å
2E93Very high81.4Confident107 Ų10757.2 Ų57.250%0.530%0.297SS..EExtended strand (participates in β ladder)trans-135.2152.7178.762.3174.2-135.300111.6Y19 F20 I21 K33E2-Y19 HydrophobicContact CB-CE1 4.44Å; E2-Y19 WeakPolarHBondContact CG-OH 3.25Å; E2-Y19 PolarHBondContact OE1-OH 3.04Å; E2-Y19 PolarHBondContact OE2-OH 3.02Å; E2-F20 CarbonylContact C-O 3.57Å; E2-F20 VanDerWaalsContact CA-O 3.25Å; E2-F20 WeakPolarHBondContact CA-O 3.23Å; E2-I21 HydrophobicContact CB-CG1 4.3Å; E2-K33 IonicContact OE1-NZ 3.72Å; E2-K33 PolarHBondContact OE1-NZ 3.05Å
3G93.3Very high79.9Confident17 Ų1756.8 Ų56.818%0.17530%0.302CS..EExtended strand (participates in β ladder)trans166.7176.4178.100000114.6F20G3-F20 PolarHBondContact N-O 3.5Å; G3-F20 PolarHBondContact O-N 3.07Å
4I93.7Very high79.5Confident68 Ų6853.4 Ų53.435%0.34929%0.288SS..EExtended strand (participates in β ladder)trans-90129.7179.1-60.7172.9000109.5Q17 R18 Y19 L75I4-Q17 HydrophobicContact CG2-CB 4.04Å; I4-Q17 HydrophobicContact CG2-CG 4.02Å; I4-R18 WeakPolarHBondContact CA-O 3.49Å; I4-Y19 HydrophobicContact CG1-CD2 4.13Å; I4-L75 HydrophobicContact CB-CD1 4.47Å
5L94.7Very high80Confident0 Ų054.9 Ų54.90%029%0.287CS..EExtended strand (participates in β ladder)trans-125.6152.6165.6-65.7168.6000109.4R18 F20 F61 L72 A74 W83L5-R18 PolarHBondContact N-O 3.09Å; L5-R18 PolarHBondContact O-N 3.06Å; L5-R18 VanDerWaalsContact O-O 3.12Å; L5-F20 HydrophobicContact CB-CD2 3.6Å; L5-F20 HydrophobicContact CB-CE2 3.6Å; L5-F20 HydrophobicContact CB-CG 4.5Å; L5-F20 HydrophobicContact CD1-CB 4.34Å; L5-F20 HydrophobicContact CD1-CD1 4.4Å; L5-F20 HydrophobicContact CD1-CD2 3.86Å; L5-F20 HydrophobicContact CD1-CE2 4.19Å; L5-F20 HydrophobicContact CD1-CG 3.96Å; L5-F20 HydrophobicContact CG-CD2 4.05Å; L5-F20 HydrophobicContact CG-CE2 4.43Å; L5-F61 HydrophobicContact CD1-CE1 4.41Å; L5-F61 HydrophobicContact CD1-CZ 3.7Å; L5-F61 HydrophobicContact CD2-CE1 3.98Å; L5-F61 HydrophobicContact CD2-CZ 4.08Å; L5-L72 HydrophobicContact CD1-CD1 4.22Å; L5-A74 HydrophobicContact CD2-CB 3.8Å; L5-W83 HydrophobicContact CD1-CD2 3.81Å; L5-W83 HydrophobicContact CD1-CE3 4.22Å; L5-W83 HydrophobicContact CD1-CG 4.19Å; L5-W83 HydrophobicContact CD1-CZ2 4.11Å; L5-W83 HydrophobicContact CD2-CD2 4.39Å; L5-W83 HydrophobicContact CD2-CG 4.08Å; L5-W83 HydrophobicContact CG-CD2 4.3Å; L5-W83 HydrophobicContact CG-CG 4.5Å; L5-W83 HydrophobicContact CG-CZ2 4.18Å
6L93Very high80.5Confident36 Ų3655.8 Ų55.819%0.18829%0.289CS..EExtended strand (participates in β ladder)trans-82.1119.1166.2-64.6167.5000107.9W15 Q16 Q17 L72 R73L6-W15 HydrophobicContact CB-CB 4.38Å; L6-W15 HydrophobicContact CB-CE3 3.9Å; L6-W15 WeakPolarHBondContact O-CZ3 3.05Å; L6-Q16 CarbonylContact C-O 3.57Å; L6-Q16 WeakPolarHBondContact CA-O 3.16Å; L6-Q17 HydrophobicContact CD2-CB 4.39Å; L6-Q17 HydrophobicContact CD2-CG 3.47Å; L6-Q17 VanDerWaalsContact CD2-CG 3.47Å; L6-L72 CarbonylContact O-C 3.47Å; L6-L72 WeakPolarHBondContact O-CA 3.27Å; L6-R73 HydrophobicContact CB-CB 4.13Å; L6-R73 WeakPolarHBondContact CB-O 3.35Å; L6-R73 PolarHBondContact N-O 2.63Å; L6-R73 PolarHBondContact O-N 2.85Å
7K92.4Very high81.2Confident20 Ų2059.1 Ų59.19%0.08730%0.303CS..EExtended strand (participates in β ladder)trans-104.9132.2173.3-174.2-177.6-177.8-66.20109.3T9 Q16 R18 F20 Y29 L72K7-T9 PolarHBondContact O-N 3.43Å; K7-Q16 PolarHBondContact N-O 3.04Å; K7-Q16 PolarHBondContact O-N 3.27Å; K7-R18 HydrophobicContact CB-CB 4.41Å; K7-R18 HydrophobicContact CB-CG 3.95Å; K7-F20 HydrophobicContact CB-CE2 4.23Å; K7-F20 HydrophobicContact CB-CZ 4Å; K7-F20 HydrophobicContact CD-CZ 4.06Å; K7-F20 HydrophobicContact CG-CZ 4.29Å; K7-Y29 HydrophobicContact CD-CD1 4.49Å; K7-Y29 HydrophobicContact CD-CD2 4.23Å; K7-Y29 HydrophobicContact CD-CE1 4.29Å; K7-Y29 HydrophobicContact CD-CE2 4Å; K7-Y29 HydrophobicContact CD-CG 4.48Å; K7-L72 HydrophobicContact CB-CD2 3.88Å; K7-L72 HydrophobicContact CG-CD2 3.8Å
8W87.1Confident81.9Confident32 Ų3258.4 Ų58.412%0.12130%0.296CS..EExtended strand (participates in β ladder)trans-68.9125.3166.4-167.4-99.2000109.6G14 W15 Y71 L122 L126W8-G14 VanDerWaalsContact CE3-C 3.44Å; W8-G14 VanDerWaalsContact CZ3-CA 3.5Å; W8-W15 HydrophobicContact CB-CE3 4.25Å; W8-W15 HydrophobicContact CB-CH2 4.47Å; W8-W15 HydrophobicContact CB-CZ3 4.22Å; W8-W15 HydrophobicContact CE3-CB 4.42Å; W8-W15 AromaticContact CE3-CD1 3.49Å; W8-W15 VanDerWaalsContact CE3-CD1 3.49Å; W8-W15 AromaticContact CE3-CD2 3.72Å; W8-W15 HydrophobicContact CE3-CD2 3.72Å; W8-W15 AromaticContact CE3-CE2 3.6Å; W8-W15 AromaticContact CE3-CG 3.65Å; W8-W15 HydrophobicContact CE3-CG 3.65Å; W8-W15 HydrophobicContact CE3-CZ2 4.3Å; W8-W15 AromaticContact CE3-NE1 3.43Å; W8-W15 AromaticContact CZ3-CD1 3.41Å; W8-W15 VanDerWaalsContact CZ3-CD1 3.41Å; W8-W15 HydrophobicContact CZ3-CD2 4.42Å; W8-W15 AromaticContact CZ3-CG 3.99Å; W8-W15 HydrophobicContact CZ3-CG 3.99Å; W8-W15 AromaticContact CZ3-NE1 3.48Å; W8-Y71 HydrophobicContact CB-CD2 4.16Å; W8-Y71 HydrophobicContact CB-CG 4.35Å; W8-Y71 HydrophobicContact CG-CD2 4.45Å; W8-Y71 PolarHBondContact N-O 3.5Å; W8-L122 HydrophobicContact CZ2-CD1 4.22Å; W8-L122 HydrophobicContact CZ2-CD2 3.83Å; W8-L122 HydrophobicContact CZ2-CG 4.16Å; W8-L126 HydrophobicContact CH2-CD2 4.31Å
9T77.6Confident82.5Confident47 Ų4756.1 Ų56.129%0.28828%0.284SS..  trans-108-61.6-172.750.70000112K7 G14 Q16K7-T9 PolarHBondContact O-N 3.43Å; T9-G14 PolarHBondContact N-O 3.39Å; T9-G14 PolarHBondContact OG1-O 3.09Å; T9-G14 VanDerWaalsContact OG1-O 3.07Å; T9-Q16 HydrophobicContact CG2-CB 3.89Å; T9-Q16 HydrophobicContact CG2-CG 4.13Å; T9-Q16 WeakPolarHBondContact OG1-CG 3.23Å
10N69.7Low83.1Confident75 Ų7553.3 Ų53.340%0.40127%0.27SS..  trans-155.4176.9177.962.326.1000109.4V12 S13 G14N10-V12 VanDerWaalsContact C-N 3.27Å; N10-V12 PolarHBondContact O-N 3.14Å; N10-V12 PolarHBondContact OD1-N 3.35Å; N10-V12 VanDerWaalsContact OD1-N 3.15Å; N10-S13 WeakPolarHBondContact OD1-CB 3.32Å; N10-S13 PolarHBondContact OD1-N 3.24Å; N10-S13 PolarHBondContact OD1-OG 3.49Å; N10-G14 WeakPolarHBondContact O-CA 3.43Å; N10-G14 PolarHBondContact O-N 3.44Å
11Y47.7Very low83.6Confident82 Ų8252.1 Ų52.132%0.32226%0.264SS..THydrogen-bonded Turntrans-62.3-30.3-180-67.1-74.5000114.6L122 N125 L126 Q129Y11-L122 HydrophobicContact CD1-CD1 3.85Å; Y11-L122 HydrophobicContact CD1-CG 4.37Å; Y11-L122 HydrophobicContact CE1-CB 4.13Å; Y11-L122 HydrophobicContact CE1-CD1 3.1Å; Y11-L122 HydrophobicContact CE1-CG 3.67Å; Y11-L122 WeakPolarHBondContact CE1-O 3.23Å; Y11-L122 HydrophobicContact CE2-CD1 4.46Å; Y11-L122 VanDerWaalsContact CZ-CD1 3.47Å; Y11-N125 HydrophobicContact CD1-CB 3.9Å; Y11-N125 HydrophobicContact CE1-CB 3.62Å; Y11-N125 PolarHBondContact OH-ND2 3.5Å; Y11-L126 WeakPolarHBondContact O-CD1 3.34Å; Y11-Q129 VanDerWaalsContact C-OE1 3.31Å; Y11-Q129 VanDerWaalsContact CB-OE1 3.22Å; Y11-Q129 PolarHBondContact O-OE1 3.42Å
12V44.7Very low83.7Confident119 Ų11948.6 Ų48.672%0.72125%0.247SC*.THydrogen-bonded Turntrans-81.9-41.9-174-178.50000111.7N10N10-V12 VanDerWaalsContact C-N 3.27Å; N10-V12 PolarHBondContact O-N 3.14Å; N10-V12 PolarHBondContact OD1-N 3.35Å; N10-V12 VanDerWaalsContact OD1-N 3.15Å
13S62.4Low83.6Confident53 Ų5349.2 Ų49.237%0.37125%0.253SS..THydrogen-bonded Turntrans-98-16.5-175.8-51.70000112.6N10 W15 Q16N10-S13 WeakPolarHBondContact OD1-CB 3.32Å; N10-S13 PolarHBondContact OD1-N 3.24Å; N10-S13 PolarHBondContact OD1-OG 3.49Å; S13-W15 PolarHBondContact O-N 3.25Å; S13-Q16 PolarHBondContact O-NE2 3.21Å
14G75Confident83.2Confident9 Ų955.6 Ų55.69%0.09328%0.283CS..  trans55.6-132.1-179.400000113.2W8 T9 N10 Q16W8-G14 VanDerWaalsContact CE3-C 3.44Å; W8-G14 VanDerWaalsContact CZ3-CA 3.5Å; T9-G14 PolarHBondContact N-O 3.39Å; T9-G14 PolarHBondContact OG1-O 3.09Å; T9-G14 VanDerWaalsContact OG1-O 3.07Å; N10-G14 WeakPolarHBondContact O-CA 3.43Å; N10-G14 PolarHBondContact O-N 3.44Å; G14-Q16 PolarHBondContact O-N 3.29Å
15W86Confident82.8Confident75 Ų7553.2 Ų53.228%0.28428%0.275SS..EExtended strand (participates in β ladder)trans-71.9120.7173.4-68.2104.9000110.6L6 W8 S13 R60 Y71 R73L6-W15 HydrophobicContact CB-CB 4.38Å; L6-W15 HydrophobicContact CB-CE3 3.9Å; L6-W15 WeakPolarHBondContact O-CZ3 3.05Å; W8-W15 HydrophobicContact CB-CE3 4.25Å; W8-W15 HydrophobicContact CB-CH2 4.47Å; W8-W15 HydrophobicContact CB-CZ3 4.22Å; W8-W15 HydrophobicContact CE3-CB 4.42Å; W8-W15 AromaticContact CE3-CD1 3.49Å; W8-W15 VanDerWaalsContact CE3-CD1 3.49Å; W8-W15 AromaticContact CE3-CD2 3.72Å; W8-W15 HydrophobicContact CE3-CD2 3.72Å; W8-W15 AromaticContact CE3-CE2 3.6Å; W8-W15 AromaticContact CE3-CG 3.65Å; W8-W15 HydrophobicContact CE3-CG 3.65Å; W8-W15 HydrophobicContact CE3-CZ2 4.3Å; W8-W15 AromaticContact CE3-NE1 3.43Å; W8-W15 AromaticContact CZ3-CD1 3.41Å; W8-W15 VanDerWaalsContact CZ3-CD1 3.41Å; W8-W15 HydrophobicContact CZ3-CD2 4.42Å; W8-W15 AromaticContact CZ3-CG 3.99Å; W8-W15 HydrophobicContact CZ3-CG 3.99Å; W8-W15 AromaticContact CZ3-NE1 3.48Å; S13-W15 PolarHBondContact O-N 3.25Å; W15-R60 HydrophobicContact CH2-CG 4.49Å; W15-Y71 VanDerWaalsContact CZ3-O 3.24Å; W15-Y71 WeakPolarHBondContact CZ3-O 3.13Å; W15-R73 HydrophobicContact CE3-CB 4.14Å; W15-R73 HydrophobicContact CH2-CB 4.13Å; W15-R73 HydrophobicContact CZ3-CB 3.81Å
16Q88.8Confident82.5Confident69 Ų6955.5 Ų55.532%0.32229%0.289SS..EExtended strand (participates in β ladder)trans-125.1138-179.8-69.9-68.3-50.700110.4L6 K7 T9 S13 G14 R18L6-Q16 CarbonylContact C-O 3.57Å; L6-Q16 WeakPolarHBondContact CA-O 3.16Å; K7-Q16 PolarHBondContact N-O 3.04Å; K7-Q16 PolarHBondContact O-N 3.27Å; T9-Q16 HydrophobicContact CG2-CB 3.89Å; T9-Q16 HydrophobicContact CG2-CG 4.13Å; T9-Q16 WeakPolarHBondContact OG1-CG 3.23Å; S13-Q16 PolarHBondContact O-NE2 3.21Å; G14-Q16 PolarHBondContact O-N 3.29Å; Q16-R18 PolarHBondContact O-N 3.38Å
17Q91.9Very high82.5Confident112 Ų11253.9 Ų53.952%0.52328%0.281SS..EExtended strand (participates in β ladder)trans-64.6130.1173-72.7-175.6-25.700109.6I4 L6I4-Q17 HydrophobicContact CG2-CB 4.04Å; I4-Q17 HydrophobicContact CG2-CG 4.02Å; L6-Q17 HydrophobicContact CD2-CB 4.39Å; L6-Q17 HydrophobicContact CD2-CG 3.47Å; L6-Q17 VanDerWaalsContact CD2-CG 3.47Å
18R93.6Very high82.4Confident47 Ų4753.9 Ų53.918%0.17728%0.283CS..EExtended strand (participates in β ladder)trans-134.5144.9173.8-63.6-65.3177.5-103.61.4108I4 L5 K7 Q16 F20 Y29 Y30I4-R18 WeakPolarHBondContact CA-O 3.49Å; L5-R18 PolarHBondContact N-O 3.09Å; L5-R18 PolarHBondContact O-N 3.06Å; L5-R18 VanDerWaalsContact O-O 3.12Å; K7-R18 HydrophobicContact CB-CB 4.41Å; K7-R18 HydrophobicContact CB-CG 3.95Å; Q16-R18 PolarHBondContact O-N 3.38Å; R18-F20 HydrophobicContact CB-CD2 4.12Å; R18-F20 HydrophobicContact CB-CE2 3.59Å; R18-F20 HydrophobicContact CB-CZ 4.32Å; R18-F20 WeakPolarHBondContact O-CD2 3.38Å; R18-Y29 HydrophobicContact CB-CD2 4.16Å; R18-Y29 HydrophobicContact CG-CD2 4.07Å; R18-Y30 WeakPolarHBondContact CA-O 3.33Å; R18-Y30 WeakPolarHBondContact CB-O 3.46Å; R18-Y30 WeakPolarHBondContact CD-O 3.38Å
19Y93.8Very high82.7Confident14 Ų1454 Ų546%0.05528%0.284CS..EExtended strand (participates in β ladder)trans-89.1120.6175.2-170.2-109.1000108.7E2 I4 I21 Y29 Y30 K33E2-Y19 HydrophobicContact CB-CE1 4.44Å; E2-Y19 WeakPolarHBondContact CG-OH 3.25Å; E2-Y19 PolarHBondContact OE1-OH 3.04Å; E2-Y19 PolarHBondContact OE2-OH 3.02Å; I4-Y19 HydrophobicContact CG1-CD2 4.13Å; Y19-I21 HydrophobicContact CD1-CD1 4.2Å; Y19-I21 HydrophobicContact CD1-CG1 3.96Å; Y19-I21 HydrophobicContact CE1-CD1 3.83Å; Y19-I21 HydrophobicContact CE1-CG1 3.69Å; Y19-Y29 CarbonylContact O-C 3.6Å; Y19-Y29 VanDerWaalsContact O-CA 3.25Å; Y19-Y29 WeakPolarHBondContact O-CA 3.48Å; Y19-Y30 HydrophobicContact CD1-CD2 4.45Å; Y19-Y30 PolarHBondContact N-O 3.48Å; Y19-Y30 PolarHBondContact O-N 2.88Å; Y19-K33 HydrophobicContact CD1-CB 4.22Å; Y19-K33 HydrophobicContact CD1-CG 4.34Å; Y19-K33 HydrophobicContact CD2-CB 4.1Å; Y19-K33 HydrophobicContact CE1-CB 4.25Å; Y19-K33 HydrophobicContact CE1-CD 4.31Å; Y19-K33 HydrophobicContact CE1-CG 3.9Å; Y19-K33 HydrophobicContact CE2-CB 4.17Å; Y19-K33 HydrophobicContact CE2-CD 3.97Å; Y19-K33 HydrophobicContact CE2-CG 4.18Å; Y19-K33 HydrophobicContact CG-CB 4.11Å; Y19-K33 WeakPolarHBondContact OH-CD 3.5Å; Y19-K33 WeakPolarHBondContact OH-CE 3.34Å; Y19-K33 PolarHBondContact OH-NZ 3.26Å
20F94.5Very high83.4Confident1 Ų153.4 Ų53.40%0.00428%0.277CS..EExtended strand (participates in β ladder)trans-106.5140.7-178.3-76.4-99.9000110.3E2 G3 L5 K7 R18 L27 S28 Y29 L72 W83E2-F20 CarbonylContact C-O 3.57Å; E2-F20 VanDerWaalsContact CA-O 3.25Å; E2-F20 WeakPolarHBondContact CA-O 3.23Å; G3-F20 PolarHBondContact N-O 3.5Å; G3-F20 PolarHBondContact O-N 3.07Å; L5-F20 HydrophobicContact CB-CD2 3.6Å; L5-F20 HydrophobicContact CB-CE2 3.6Å; L5-F20 HydrophobicContact CB-CG 4.5Å; L5-F20 HydrophobicContact CD1-CB 4.34Å; L5-F20 HydrophobicContact CD1-CD1 4.4Å; L5-F20 HydrophobicContact CD1-CD2 3.86Å; L5-F20 HydrophobicContact CD1-CE2 4.19Å; L5-F20 HydrophobicContact CD1-CG 3.96Å; L5-F20 HydrophobicContact CG-CD2 4.05Å; L5-F20 HydrophobicContact CG-CE2 4.43Å; K7-F20 HydrophobicContact CB-CE2 4.23Å; K7-F20 HydrophobicContact CB-CZ 4Å; K7-F20 HydrophobicContact CD-CZ 4.06Å; K7-F20 HydrophobicContact CG-CZ 4.29Å; R18-F20 HydrophobicContact CB-CD2 4.12Å; R18-F20 HydrophobicContact CB-CE2 3.59Å; R18-F20 HydrophobicContact CB-CZ 4.32Å; R18-F20 WeakPolarHBondContact O-CD2 3.38Å; F20-L27 HydrophobicContact CB-CD1 4.25Å; F20-L27 HydrophobicContact CD1-CD1 3.95Å; F20-L27 HydrophobicContact CD1-CD2 3.97Å; F20-L27 HydrophobicContact CD1-CG 3.91Å; F20-L27 HydrophobicContact CE1-CD2 4.22Å; F20-S28 CarbonylContact C-O 3.49Å; F20-S28 WeakPolarHBondContact CA-O 3.38Å; F20-Y29 VanDerWaalsContact CE1-CB 3.49Å; F20-Y29 HydrophobicContact CE1-CD1 4.31Å; F20-Y29 HydrophobicContact CE1-CG 4.09Å; F20-Y29 HydrophobicContact CZ-CG 4.23Å; F20-L72 HydrophobicContact CE1-CD1 4.35Å; F20-L72 HydrophobicContact CE1-CD2 4.01Å; F20-L72 HydrophobicContact CE2-CD2 4.14Å; F20-L72 HydrophobicContact CZ-CD1 4.49Å; F20-L72 HydrophobicContact CZ-CD2 3.42Å; F20-L72 VanDerWaalsContact CZ-CD2 3.42Å; F20-W83 HydrophobicContact CB-CH2 3.44Å; F20-W83 VanDerWaalsContact CB-CH2 3.44Å; F20-W83 HydrophobicContact CB-CZ2 3.93Å; F20-W83 HydrophobicContact CB-CZ3 4.15Å
21I93.1Very high84.2Confident29 Ų2956.4 Ų56.415%0.14928%0.282CS..EExtended strand (participates in β ladder)trans-129.5119.4174.2-54.3-178.1000106.8E2 Y19 D23 S28 Y30 M36E2-I21 HydrophobicContact CB-CG1 4.3Å; Y19-I21 HydrophobicContact CD1-CD1 4.2Å; Y19-I21 HydrophobicContact CD1-CG1 3.96Å; Y19-I21 HydrophobicContact CE1-CD1 3.83Å; Y19-I21 HydrophobicContact CE1-CG1 3.69Å; I21-D23 HydrophobicContact CG2-CB 4.31Å; I21-S28 PolarHBondContact N-O 3.33Å; I21-S28 PolarHBondContact O-N 2.98Å; I21-Y30 HydrophobicContact CB-CE2 4.33Å; I21-Y30 HydrophobicContact CD1-CD2 4.13Å; I21-Y30 HydrophobicContact CD1-CE2 3.58Å; I21-Y30 HydrophobicContact CG1-CD2 4.28Å; I21-Y30 HydrophobicContact CG1-CE2 3.91Å; I21-M36 HydrophobicContact CD1-SD 3.53Å; I21-M36 VanDerWaalsContact CD1-SD 3.53Å
22L92.3Very high86Confident9 Ų954.1 Ų54.15%0.04728%0.278CS..EExtended strand (participates in β ladder)trans-99.7111.5169.2173.156.5000108.2M1 V26 L27 L46 W83 A86 L87M1-L22 HydrophobicContact CB-CB 4.26Å; M1-L22 PolarHBondContact N-O 3.34Å; M1-L22 PolarHBondContact O-N 3.27Å; L22-V26 WeakPolarHBondContact CA-O 3.41Å; L22-L27 HydrophobicContact CB-CD1 3.92Å; L22-L27 HydrophobicContact CD1-CB 4.42Å; L22-L46 HydrophobicContact CD1-CD1 3.38Å; L22-L46 HydrophobicContact CD1-CG 4.24Å; L22-L46 HydrophobicContact CD2-CD1 4.29Å; L22-L46 HydrophobicContact CG-CD1 4.47Å; L22-W83 HydrophobicContact CB-CZ3 4.21Å; L22-A86 HydrophobicContact CD2-CB 3.91Å; L22-L87 HydrophobicContact CD2-CD2 4.07Å; L22-L87 HydrophobicContact CD2-CG 4.45Å
23D89.6Confident88Confident119 Ų11953.7 Ų53.764%0.63627%0.267SS*.EExtended strand (participates in β ladder)trans-139.9136.8-179.5-170.232.1000110.1I21 G25 V26I21-D23 HydrophobicContact CG2-CB 4.31Å; D23-G25 VanDerWaalsContact C-N 3.28Å; D23-G25 PolarHBondContact O-N 3.46Å; D23-G25 VanDerWaalsContact O-N 3.1Å; D23-V26 PolarHBondContact N-O 3.16Å; D23-V26 WeakPolarHBondContact O-CA 3.42Å; D23-V26 PolarHBondContact O-N 3.36Å; D23-V26 VanDerWaalsContact O-O 3.06Å
24D85.8Confident89Confident152 Ų15258.2 Ų58.281%0.81328%0.282SS*.THydrogen-bonded Turntrans4246.2-179.9-161.829.7000115.6V26D24-V26 PolarHBondContact O-N 2.93Å
25G85Confident89.1Confident17 Ų1761.1 Ų61.118%0.17529%0.293CS..THydrogen-bonded Turntrans71.510.3-179.500000115D23 L46D23-G25 VanDerWaalsContact C-N 3.28Å; D23-G25 PolarHBondContact O-N 3.46Å; D23-G25 VanDerWaalsContact O-N 3.1Å; G25-L46 WeakPolarHBondContact O-CB 3.45Å; G25-L46 WeakPolarHBondContact O-CG 3.47Å; G25-L46 PolarHBondContact O-N 3.18Å
26V89.1Confident88.7Confident48 Ų4861.7 Ų61.729%0.29130%0.3SS..EExtended strand (participates in β ladder)trans-115.9123.2176-176.60000109.9L22 D23 D24 V44 K45L22-V26 WeakPolarHBondContact CA-O 3.41Å; D23-V26 PolarHBondContact N-O 3.16Å; D23-V26 WeakPolarHBondContact O-CA 3.42Å; D23-V26 PolarHBondContact O-N 3.36Å; D23-V26 VanDerWaalsContact O-O 3.06Å; D24-V26 PolarHBondContact O-N 2.93Å; V26-V44 CarbonylContact C-O 3.59Å; V26-V44 WeakPolarHBondContact CA-O 3.38Å; V26-K45 HydrophobicContact CG2-CG 4.45Å
27L91.7Very high87.9Confident3 Ų365.8 Ų65.82%0.01632%0.324CS..EExtended strand (participates in β ladder)trans-93.1109.7171.7-176.171.7000109.9F20 L22 S43 V44 L46 L63 W83 L87F20-L27 HydrophobicContact CB-CD1 4.25Å; F20-L27 HydrophobicContact CD1-CD1 3.95Å; F20-L27 HydrophobicContact CD1-CD2 3.97Å; F20-L27 HydrophobicContact CD1-CG 3.91Å; F20-L27 HydrophobicContact CE1-CD2 4.22Å; L22-L27 HydrophobicContact CB-CD1 3.92Å; L22-L27 HydrophobicContact CD1-CB 4.42Å; L27-S43 CarbonylContact O-C 3.59Å; L27-S43 VanDerWaalsContact O-CA 3.31Å; L27-S43 WeakPolarHBondContact O-CA 3.47Å; L27-V44 PolarHBondContact N-O 3.07Å; L27-V44 PolarHBondContact O-N 2.77Å; L27-L46 HydrophobicContact CB-CD2 4.13Å; L27-L63 HydrophobicContact CD2-CD1 3.3Å; L27-W83 HydrophobicContact CD1-CE3 4.49Å; L27-W83 HydrophobicContact CD1-CH2 4.41Å; L27-W83 HydrophobicContact CD1-CZ3 3.69Å; L27-L87 HydrophobicContact CB-CD2 4.44Å; L27-L87 HydrophobicContact CD1-CD2 4.19Å; L27-L87 HydrophobicContact CD2-CD2 3.99Å; L27-L87 HydrophobicContact CG-CD2 4.45Å
28S91.6Very high87.1Confident20 Ų2064.2 Ų64.214%0.1433%0.326CS..EExtended strand (participates in β ladder)trans-106.3150.9175.9-61.10000111.2F20 I21 G42 S43F20-S28 CarbonylContact C-O 3.49Å; F20-S28 WeakPolarHBondContact CA-O 3.38Å; I21-S28 PolarHBondContact N-O 3.33Å; I21-S28 PolarHBondContact O-N 2.98Å; S28-G42 CarbonylContact C-O 3.53Å; S28-G42 WeakPolarHBondContact CA-O 3.37Å; S28-S43 WeakPolarHBondContact OG-CB 3.37Å
29Y92.9Very high86.2Confident34 Ų3463.9 Ų63.913%0.13334%0.336CS..EExtended strand (participates in β ladder)trans-134.4151.3175.577.8-87.4000113.7K7 R18 Y19 F20 K41 G42 Y70K7-Y29 HydrophobicContact CD-CD1 4.49Å; K7-Y29 HydrophobicContact CD-CD2 4.23Å; K7-Y29 HydrophobicContact CD-CE1 4.29Å; K7-Y29 HydrophobicContact CD-CE2 4Å; K7-Y29 HydrophobicContact CD-CG 4.48Å; R18-Y29 HydrophobicContact CB-CD2 4.16Å; R18-Y29 HydrophobicContact CG-CD2 4.07Å; Y19-Y29 CarbonylContact O-C 3.6Å; Y19-Y29 VanDerWaalsContact O-CA 3.25Å; Y19-Y29 WeakPolarHBondContact O-CA 3.48Å; F20-Y29 VanDerWaalsContact CE1-CB 3.49Å; F20-Y29 HydrophobicContact CE1-CD1 4.31Å; F20-Y29 HydrophobicContact CE1-CG 4.09Å; F20-Y29 HydrophobicContact CZ-CG 4.23Å; Y29-K41 HydrophobicContact CD2-CB 3.87Å; Y29-K41 HydrophobicContact CE2-CB 3.38Å; Y29-K41 HydrophobicContact CE2-CG 4.42Å; Y29-K41 PolarHBondContact O-N 3.35Å; Y29-K41 PolarHBondContact OH-O 3.44Å; Y29-G42 WeakPolarHBondContact CD1-O 3.35Å; Y29-G42 VanDerWaalsContact CE1-CA 3.48Å; Y29-G42 PolarHBondContact N-O 3.31Å; Y29-Y70 HydrophobicContact CE1-CE2 4.28Å
30Y92.2Very high85.7Confident35 Ų3566.1 Ų66.114%0.13735%0.353CS..EExtended strand (participates in β ladder)trans-131162.7-175.2-54.7-93.3000109.9R18 Y19 I21 M36 C40R18-Y30 WeakPolarHBondContact CA-O 3.33Å; R18-Y30 WeakPolarHBondContact CB-O 3.46Å; R18-Y30 WeakPolarHBondContact CD-O 3.38Å; Y19-Y30 HydrophobicContact CD1-CD2 4.45Å; Y19-Y30 PolarHBondContact N-O 3.48Å; Y19-Y30 PolarHBondContact O-N 2.88Å; I21-Y30 HydrophobicContact CB-CE2 4.33Å; I21-Y30 HydrophobicContact CD1-CD2 4.13Å; I21-Y30 HydrophobicContact CD1-CE2 3.58Å; I21-Y30 HydrophobicContact CG1-CD2 4.28Å; I21-Y30 HydrophobicContact CG1-CE2 3.91Å; Y30-M36 HydrophobicContact CD1-CB 4.37Å; Y30-M36 HydrophobicContact CD1-CG 4.19Å; Y30-M36 HydrophobicContact CE1-CB 4.48Å; Y30-M36 HydrophobicContact CE1-CG 3.84Å; Y30-M36 HydrophobicContact CE2-CG 4.41Å; Y30-C40 HydrophobicContact CD1-CB 4.26Å; Y30-C40 VanDerWaalsContact CE1-CA 3.41Å; Y30-C40 HydrophobicContact CE1-CB 3.64Å
31R85.9Confident85.3Confident137 Ų13770.3 Ų70.352%0.51737%0.372SS..SBendtrans-64.9-47.6176.2-83174.3175.6174.71.9111.3E35 K41R31-E35 VanDerWaalsContact CB-OE2 3.25Å; R31-E35 WeakPolarHBondContact CB-OE2 3.49Å; R31-E35 WeakPolarHBondContact CD-OE2 3.37Å; R31-E35 IonicContact NH1-OE2 2.65Å; R31-K41 HydrophobicContact CG-CG 4.23Å
32S86.2Confident84.9Confident34 Ų3469.7 Ų69.724%0.23837%0.372CS..SBendtrans-145176173.678.90000110.1E34 E35S32-E34 VanDerWaalsContact C-N 3.31Å; S32-E34 WeakPolarHBondContact CB-OE2 3.34Å; S32-E34 PolarHBondContact OG-N 3.2Å; S32-E34 PolarHBondContact OG-OE2 3.24Å; S32-E35 PolarHBondContact OG-N 3.42Å
33K86.3Confident84.7Confident110 Ų11072.5 Ų72.548%0.47839%0.393SS..SBendtrans-67.9-34.9177.3-174.2168.2-176.71560111.3E2 Y19E2-K33 IonicContact OE1-NZ 3.72Å; E2-K33 PolarHBondContact OE1-NZ 3.05Å; Y19-K33 HydrophobicContact CD1-CB 4.22Å; Y19-K33 HydrophobicContact CD1-CG 4.34Å; Y19-K33 HydrophobicContact CD2-CB 4.1Å; Y19-K33 HydrophobicContact CE1-CB 4.25Å; Y19-K33 HydrophobicContact CE1-CD 4.31Å; Y19-K33 HydrophobicContact CE1-CG 3.9Å; Y19-K33 HydrophobicContact CE2-CB 4.17Å; Y19-K33 HydrophobicContact CE2-CD 3.97Å; Y19-K33 HydrophobicContact CE2-CG 4.18Å; Y19-K33 HydrophobicContact CG-CB 4.11Å; Y19-K33 WeakPolarHBondContact OH-CD 3.5Å; Y19-K33 WeakPolarHBondContact OH-CE 3.34Å; Y19-K33 PolarHBondContact OH-NZ 3.26Å
34E83.3Confident84.5Confident148 Ų14866.9 Ų66.969%0.69236%0.363SS*.G310 helixtrans-73-31.1-177.8-53.671.5-148.800111.9S32 M36S32-E34 VanDerWaalsContact C-N 3.31Å; S32-E34 WeakPolarHBondContact CB-OE2 3.34Å; S32-E34 PolarHBondContact OG-N 3.2Å; S32-E34 PolarHBondContact OG-OE2 3.24Å; E34-M36 PolarHBondContact O-N 3.41Å
35E77.3Confident84.4Confident71 Ų7165.9 Ų65.933%0.33235%0.351SS..G310 helixtrans-82.711179.5-75-167.4-169.100114.2R31 S32 N37 S38R31-E35 VanDerWaalsContact CB-OE2 3.25Å; R31-E35 WeakPolarHBondContact CB-OE2 3.49Å; R31-E35 WeakPolarHBondContact CD-OE2 3.37Å; R31-E35 IonicContact NH1-OE2 2.65Å; S32-E35 PolarHBondContact OG-N 3.42Å; E35-N37 PolarHBondContact O-N 3.47Å; E35-N37 VanDerWaalsContact O-N 3.15Å; E35-S38 VanDerWaalsContact O-CB 3.26Å; E35-S38 WeakPolarHBondContact O-CB 3.46Å; E35-S38 PolarHBondContact O-N 3.31Å; E35-S38 PolarHBondContact O-OG 3.16Å; E35-S38 VanDerWaalsContact O-OG 3.08Å
36M76.8Confident84.4Confident87 Ų8765.1 Ų65.143%0.42934%0.343SS..G310 helixtrans-57.1-31.7179.9-170.8172.264.700112.8I21 Y30 E34 S38 G39I21-M36 HydrophobicContact CD1-SD 3.53Å; I21-M36 VanDerWaalsContact CD1-SD 3.53Å; Y30-M36 HydrophobicContact CD1-CB 4.37Å; Y30-M36 HydrophobicContact CD1-CG 4.19Å; Y30-M36 HydrophobicContact CE1-CB 4.48Å; Y30-M36 HydrophobicContact CE1-CG 3.84Å; Y30-M36 HydrophobicContact CE2-CG 4.41Å; E34-M36 PolarHBondContact O-N 3.41Å; M36-S38 PolarHBondContact O-N 3.37Å; M36-G39 PolarHBondContact O-N 3.38Å
37N73.5Confident83.9Confident155 Ų15565.6 Ų65.683%0.82935%0.349SS*.G310 helixtrans-67.6-13.9177.1-63.4-19000113.7E35 G39E35-N37 PolarHBondContact O-N 3.47Å; E35-N37 VanDerWaalsContact O-N 3.15Å; N37-G39 PolarHBondContact O-N 3.16Å
38S73.9Confident83.3Confident79 Ų7969.9 Ų69.955%0.55238%0.375SS*.G310 helixtrans-83.10.7-179.4-43.20000113.3E35 M36E35-S38 VanDerWaalsContact O-CB 3.26Å; E35-S38 WeakPolarHBondContact O-CB 3.46Å; E35-S38 PolarHBondContact O-N 3.31Å; E35-S38 PolarHBondContact O-OG 3.16Å; E35-S38 VanDerWaalsContact O-OG 3.08Å; M36-S38 PolarHBondContact O-N 3.37Å
39G75.6Confident82.8Confident39 Ų3969 Ų6940%0.40237%0.369SS..  trans84.1156.7-170.400000113M36 N37M36-G39 PolarHBondContact O-N 3.38Å; N37-G39 PolarHBondContact O-N 3.16Å
40C82.9Confident82.3Confident61 Ų6170.9 Ų70.941%0.41238%0.381SS..  trans-69146.4179.368.70000111.1Y30 G42Y30-C40 HydrophobicContact CD1-CB 4.26Å; Y30-C40 VanDerWaalsContact CE1-CA 3.41Å; Y30-C40 HydrophobicContact CE1-CB 3.64Å; C40-G42 VanDerWaalsContact C-N 3.33Å
41K85.7Confident81.9Confident89 Ų8971.5 Ų71.539%0.38739%0.388SS..SBendtrans-82.6-17.2174-65.5-55.2-176.8-165.10112.4Y29 R31Y29-K41 HydrophobicContact CD2-CB 3.87Å; Y29-K41 HydrophobicContact CE2-CB 3.38Å; Y29-K41 HydrophobicContact CE2-CG 4.42Å; Y29-K41 PolarHBondContact O-N 3.35Å; Y29-K41 PolarHBondContact OH-O 3.44Å; R31-K41 HydrophobicContact CG-CG 4.23Å
42G84.9Confident81.9Confident16 Ų1666.4 Ų66.417%0.16537%0.371CS..EExtended strand (participates in β ladder)trans179158.8168.900000110.4S28 Y29 C40S28-G42 CarbonylContact C-O 3.53Å; S28-G42 WeakPolarHBondContact CA-O 3.37Å; Y29-G42 WeakPolarHBondContact CD1-O 3.35Å; Y29-G42 VanDerWaalsContact CE1-CA 3.48Å; Y29-G42 PolarHBondContact N-O 3.31Å; C40-G42 VanDerWaalsContact C-N 3.33Å
43S87.6Confident81.8Confident68 Ų6867.9 Ų67.948%0.47638%0.378SS..EExtended strand (participates in β ladder)trans-139.8142.1-179.557.10000110L27 S28L27-S43 CarbonylContact O-C 3.59Å; L27-S43 VanDerWaalsContact O-CA 3.31Å; L27-S43 WeakPolarHBondContact O-CA 3.47Å; S28-S43 WeakPolarHBondContact OG-CB 3.37Å
44V85.9Confident81.5Confident2 Ų264.6 Ų64.61%0.01237%0.365CS..EExtended strand (participates in β ladder)trans-131.1124-179.8173.90000109.3V26 L27 C49 L65 Y70V26-V44 CarbonylContact C-O 3.59Å; V26-V44 WeakPolarHBondContact CA-O 3.38Å; L27-V44 PolarHBondContact N-O 3.07Å; L27-V44 PolarHBondContact O-N 2.77Å; V44-C49 HydrophobicContact CG1-CB 3.99Å; V44-L65 HydrophobicContact CB-CD2 4.4Å; V44-L65 HydrophobicContact CG1-CB 4.5Å; V44-L65 HydrophobicContact CG1-CD1 3.73Å; V44-L65 HydrophobicContact CG1-CD2 3.78Å; V44-L65 HydrophobicContact CG1-CG 4.22Å; V44-L65 HydrophobicContact CG2-CD2 4.02Å; V44-Y70 HydrophobicContact CG2-CD2 4.09Å; V44-Y70 HydrophobicContact CG2-CE2 3.29Å
45K84.8Confident81.1Confident130 Ų13063.1 Ų63.157%0.56537%0.371SS*.EExtended strand (participates in β ladder)trans-77.1123.3172.3-167.4175-177.3170.90109.2V26 S47 V48V26-K45 HydrophobicContact CG2-CG 4.45Å; K45-S47 VanDerWaalsContact C-N 3.27Å; K45-S47 WeakPolarHBondContact CD-OG 3.4Å; K45-S47 WeakPolarHBondContact CE-OG 3.43Å; K45-S47 WeakPolarHBondContact CG-OG 3.4Å; K45-S47 PolarHBondContact O-N 3.18Å; K45-V48 HydrophobicContact CB-CG2 4.21Å; K45-V48 WeakPolarHBondContact O-CG2 3.47Å; K45-V48 PolarHBondContact O-N 3.25Å
46L84.4Confident81Confident2 Ų263 Ų631%0.0138%0.378CS..G310 helixtrans-70.7-22.8-173.8-63.8-179.7000113.7L22 G25 L27 V48 C49 L87L22-L46 HydrophobicContact CD1-CD1 3.38Å; L22-L46 HydrophobicContact CD1-CG 4.24Å; L22-L46 HydrophobicContact CD2-CD1 4.29Å; L22-L46 HydrophobicContact CG-CD1 4.47Å; G25-L46 WeakPolarHBondContact O-CB 3.45Å; G25-L46 WeakPolarHBondContact O-CG 3.47Å; G25-L46 PolarHBondContact O-N 3.18Å; L27-L46 HydrophobicContact CB-CD2 4.13Å; L46-V48 PolarHBondContact O-N 3.43Å; L46-V48 VanDerWaalsContact O-N 3.11Å; L46-C49 HydrophobicContact CD2-CB 4.48Å; L46-C49 PolarHBondContact O-N 3.44Å; L46-L87 HydrophobicContact CD1-CB 4.42Å; L46-L87 HydrophobicContact CD1-CD2 3.83Å; L46-L87 HydrophobicContact CD2-CD2 3.6Å; L46-L87 HydrophobicContact CG-CD2 4.36Å
47S78.9Confident81.2Confident58 Ų5860.1 Ų60.141%0.40636%0.364SS..G310 helixtrans-59.1-24.2178.565.70000113.4K45K45-S47 VanDerWaalsContact C-N 3.27Å; K45-S47 WeakPolarHBondContact CD-OG 3.4Å; K45-S47 WeakPolarHBondContact CE-OG 3.43Å; K45-S47 WeakPolarHBondContact CG-OG 3.4Å; K45-S47 PolarHBondContact O-N 3.18Å
48V78.1Confident81.7Confident93 Ų9354.8 Ų54.856%0.56434%0.338SS*.G310 helixtrans-111.76.8-180-71.30000112.5K45 L46 L65K45-V48 HydrophobicContact CB-CG2 4.21Å; K45-V48 WeakPolarHBondContact O-CG2 3.47Å; K45-V48 PolarHBondContact O-N 3.25Å; L46-V48 PolarHBondContact O-N 3.43Å; L46-V48 VanDerWaalsContact O-N 3.11Å; V48-L65 HydrophobicContact CB-CD1 4.12Å; V48-L65 HydrophobicContact CG2-CD1 3.47Å; V48-L65 VanDerWaalsContact CG2-CD1 3.47Å; V48-L65 WeakPolarHBondContact O-CD1 3.4Å
49C80.7Confident82.4Confident1 Ų154.6 Ų54.61%0.00733%0.325CS..  trans-110.7135.5-174.1-1710000111.2V44 L46 I64 L65 K91V44-C49 HydrophobicContact CG1-CB 3.99Å; L46-C49 HydrophobicContact CD2-CB 4.48Å; L46-C49 PolarHBondContact O-N 3.44Å; C49-I64 CarbonylContact C-O 3.39Å; C49-I64 VanDerWaalsContact CA-O 3.31Å; C49-I64 WeakPolarHBondContact CA-O 3.43Å; C49-I64 PolarHBondContact SG-O 3.13Å; C49-L65 HydrophobicContact CB-CD1 3.94Å; C49-K91 VanDerWaalsContact O-CE 3.31Å; C49-K91 WeakPolarHBondContact O-CE 3.46Å; C49-K91 PolarHBondContact O-NZ 3.38Å
50D82.6Confident83Confident73 Ų7353.4 Ų53.439%0.3931%0.309SS..EExtended strand (participates in β ladder)trans-97.5144.2168.7-63.2-38.6000110.9L63 I64 K91D50-L63 CarbonylContact O-C 3.48Å; D50-L63 WeakPolarHBondContact O-CA 3.49Å; D50-I64 HydrophobicContact CB-CB 4.45Å; D50-I64 PolarHBondContact N-O 2.89Å; D50-I64 PolarHBondContact O-N 3.49Å; D50-K91 IonicContact OD1-NZ 3.12Å; D50-K91 PolarHBondContact OD1-NZ 3.41Å
51V85Confident83.4Confident48 Ų4850.5 Ų50.529%0.29129%0.289SS..EExtended strand (participates in β ladder)trans-112.3117-179.2-174.80000107.6F61 L63 V84 L87V51-F61 HydrophobicContact CG1-CD2 4.41Å; V51-L63 HydrophobicContact CB-CD2 4.29Å; V51-L63 HydrophobicContact CG1-CD2 4.15Å; V51-L63 HydrophobicContact CG2-CD2 3.75Å; V51-V84 HydrophobicContact CG1-CG1 4.47Å; V51-V84 HydrophobicContact CG1-CG2 4.37Å; V51-L87 HydrophobicContact CG1-CD1 4.46Å; V51-L87 HydrophobicContact CG2-CB 4.11Å
52I84.9Confident83.6Confident30 Ų3046.4 Ų46.415%0.15427%0.271CS..EExtended strand (participates in β ladder)trans-114.3123-179.9-57-167.1000109.2F61 D62 I64I52-F61 CarbonylContact O-C 3.56Å; I52-F61 VanDerWaalsContact O-CA 3.26Å; I52-F61 WeakPolarHBondContact O-CA 3.27Å; I52-D62 PolarHBondContact N-O 3.43Å; I52-D62 PolarHBondContact O-N 3.38Å; I52-I64 HydrophobicContact CD1-CD1 3.37Å; I52-I64 HydrophobicContact CD1-CG1 4.24Å; I52-I64 HydrophobicContact CG1-CD1 4.16Å
53V85.5Confident83.8Confident65 Ų6545.7 Ų45.739%0.39426%0.264SS..EExtended strand (participates in β ladder)trans-83.3135.1173.4-178.10000108.9V84V53-V84 HydrophobicContact CG2-CG1 4.18Å; V53-V84 HydrophobicContact CG2-CG2 4.04Å
54H80Confident83.6Confident41 Ų4144.5 Ų44.519%0.1925%0.252CS..  trans-71.5132.3176.9-163.8-68.8000110.4S56 D57 R60H54-S56 PolarHBondContact ND1-N 3.21Å; H54-D57 HydrophobicContact CB-CB 4.39Å; H54-D57 PolarHBondContact ND1-N 3.32Å; H54-R60 HydrophobicContact CB-CB 3.81Å; H54-R60 HydrophobicContact CB-CG 3.96Å; H54-R60 VanDerWaalsContact CD2-CD 3.47Å; H54-R60 WeakPolarHBondContact CD2-CD 3.49Å; H54-R60 VanDerWaalsContact CD2-CZ 3.43Å; H54-R60 PolarHBondContact CD2-NH1 2.92Å; H54-R60 PolarHBondContact N-O 3.45Å; H54-R60 PolarHBondContact NE2-NH1 3.12Å
55S74.9Confident83.3Confident117 Ų11746.6 Ų46.682%0.81826%0.263SS*.SBendtrans-65.3-47.6-178.949.70000112.3
56S73.8Confident82.7Confident70 Ų7043.9 Ų43.949%0.4927%0.271SS..SBendtrans-86.4-38.8-175.2-38.70000114.6H54 P58 E169H54-S56 PolarHBondContact ND1-N 3.21Å; S56-P58 WeakPolarHBondContact O-CD 3.43Å; S56-E169 PolarHBondContact OG-OE1 3.48Å
57D81.2Confident81.8Confident25 Ų2550.3 Ų50.313%0.13430%0.301CS..  trans-96.8107.7-178-179-1000112.1H54 R59 R60 R73H54-D57 HydrophobicContact CB-CB 4.39Å; H54-D57 PolarHBondContact ND1-N 3.32Å; D57-R59 PolarHBondContact O-N 3.34Å; D57-R59 PolarHBondContact OD1-N 3.09Å; D57-R60 HydrophobicContact CB-CB 3.85Å; D57-R60 PolarHBondContact O-N 3.47Å; D57-R60 VanDerWaalsContact O-N 3.09Å; D57-R60 WeakPolarHBondContact OD2-CB 3.4Å; D57-R73 VanDerWaalsContact CG-NH2 3.26Å; D57-R73 IonicContact OD1-CZ 2.71Å; D57-R73 IonicContact OD1-NE 3.1Å; D57-R73 IonicContact OD1-NH2 3.72Å; D57-R73 PolarHBondContact OD1-NH2 3.47Å; D57-R73 IonicContact OD2-CZ 2.96Å; D57-R73 IonicContact OD2-NE 3.67Å; D57-R73 PolarHBondContact OD2-NE 3.09Å; D57-R73 IonicContact OD2-NH2 2.77Å; D57-R73 PolarHBondContact OD2-NH2 3.46Å
58P83.9Confident81.6Confident44 Ų4453 Ų5329%0.28631%0.307SS..THydrogen-bonded Turntrans-70-4.7-173.830.7-37.6000114.5S56 R77 R80S56-P58 WeakPolarHBondContact O-CD 3.43Å; P58-R77 HydrophobicContact CB-CG 4.24Å; P58-R77 VanDerWaalsContact CB-CZ 3.41Å; P58-R80 VanDerWaalsContact O-CZ 3.23Å; P58-R80 PolarHBondContact O-NE 3.48Å; P58-R80 PolarHBondContact O-NH2 3.02Å
59R88.8Confident81.8Confident75 Ų7551 Ų5128%0.28329%0.29SS..THydrogen-bonded Turntrans-106.6-9.9176.2-64.1-173.6-65.7118.2-9.5112.9D57 R73 A74D57-R59 PolarHBondContact O-N 3.34Å; D57-R59 PolarHBondContact OD1-N 3.09Å; R59-R73 HydrophobicContact CB-CG 3.79Å; R59-R73 VanDerWaalsContact NH2-NH2 3.16Å; R59-R73 CarbonylContact O-C 3.56Å; R59-R73 WeakPolarHBondContact O-CA 3.43Å; R59-A74 PolarHBondContact NH1-O 3.17Å; R59-A74 PolarHBondContact O-N 3.45Å
60R89Confident82.2Confident14 Ų1452.7 Ų52.75%0.05330%0.296CS..EExtended strand (participates in β ladder)trans-97.9141.2-174-178.9175.2165.4-161.4-7.5111.7W15 H54 D57 D62 L72 R73 E119W15-R60 HydrophobicContact CH2-CG 4.49Å; H54-R60 HydrophobicContact CB-CB 3.81Å; H54-R60 HydrophobicContact CB-CG 3.96Å; H54-R60 VanDerWaalsContact CD2-CD 3.47Å; H54-R60 WeakPolarHBondContact CD2-CD 3.49Å; H54-R60 VanDerWaalsContact CD2-CZ 3.43Å; H54-R60 PolarHBondContact CD2-NH1 2.92Å; H54-R60 PolarHBondContact N-O 3.45Å; H54-R60 PolarHBondContact NE2-NH1 3.12Å; D57-R60 HydrophobicContact CB-CB 3.85Å; D57-R60 PolarHBondContact O-N 3.47Å; D57-R60 VanDerWaalsContact O-N 3.09Å; D57-R60 WeakPolarHBondContact OD2-CB 3.4Å; R60-D62 IonicContact CZ-OD1 3.65Å; R60-D62 IonicContact CZ-OD2 3.56Å; R60-D62 IonicContact NE-OD1 3.9Å; R60-D62 PolarHBondContact NE-OD1 2.68Å; R60-D62 VanDerWaalsContact NE-OD1 3.09Å; R60-D62 IonicContact NE-OD2 2.72Å; R60-D62 IonicContact NH2-OD1 2.96Å; R60-D62 IonicContact NH2-OD2 2.77Å; R60-D62 PolarHBondContact NH2-OD2 3.18Å; R60-L72 WeakPolarHBondContact CA-O 3.46Å; R60-L72 WeakPolarHBondContact CG-O 3.22Å; R60-R73 HydrophobicContact CB-CG 4.39Å; R60-E119 IonicContact CZ-OE1 2.97Å; R60-E119 IonicContact NH1-OE1 3.21Å; R60-E119 PolarHBondContact NH1-OE1 3.38Å; R60-E119 IonicContact NH2-OE1 3.85Å; R60-E119 PolarHBondContact NH2-OE1 2.96Å
61F90.1Very high82.6Confident0 Ų051.5 Ų51.50%029%0.287CS..EExtended strand (participates in β ladder)trans-149146.8169.164.7-79.5000108L5 V51 I52 L63 L72 R80 W83 V84 L87L5-F61 HydrophobicContact CD1-CE1 4.41Å; L5-F61 HydrophobicContact CD1-CZ 3.7Å; L5-F61 HydrophobicContact CD2-CE1 3.98Å; L5-F61 HydrophobicContact CD2-CZ 4.08Å; V51-F61 HydrophobicContact CG1-CD2 4.41Å; I52-F61 CarbonylContact O-C 3.56Å; I52-F61 VanDerWaalsContact O-CA 3.26Å; I52-F61 WeakPolarHBondContact O-CA 3.27Å; F61-L63 HydrophobicContact CD2-CD2 4.44Å; F61-L63 HydrophobicContact CE2-CD2 4.5Å; F61-L72 HydrophobicContact CD1-CB 4.39Å; F61-L72 HydrophobicContact CD2-CB 4.3Å; F61-L72 HydrophobicContact CD2-CD1 4.37Å; F61-L72 HydrophobicContact CE1-CB 4.05Å; F61-L72 HydrophobicContact CE2-CB 3.95Å; F61-L72 HydrophobicContact CE2-CD1 3.6Å; F61-L72 HydrophobicContact CE2-CG 4.39Å; F61-L72 HydrophobicContact CZ-CB 3.83Å; F61-L72 HydrophobicContact CZ-CD1 3.95Å; F61-L72 PolarHBondContact N-O 3.12Å; F61-L72 CarbonylContact O-C 3.58Å; F61-L72 WeakPolarHBondContact O-CA 3.32Å; F61-L72 VanDerWaalsContact O-CB 3.31Å; F61-L72 WeakPolarHBondContact O-CB 3.47Å; F61-L72 PolarHBondContact O-N 3.33Å; F61-R80 HydrophobicContact CD1-CB 4.47Å; F61-R80 HydrophobicContact CD1-CG 3.67Å; F61-R80 HydrophobicContact CE1-CG 4.33Å; F61-R80 HydrophobicContact CG-CG 4.45Å; F61-W83 HydrophobicContact CE1-CB 4.18Å; F61-W83 HydrophobicContact CE2-CB 4.48Å; F61-W83 HydrophobicContact CZ-CB 3.79Å; F61-W83 HydrophobicContact CZ-CG 4.21Å; F61-V84 HydrophobicContact CB-CG2 4.12Å; F61-V84 HydrophobicContact CD2-CG2 4.38Å; F61-V84 HydrophobicContact CG-CG2 4.11Å; F61-L87 HydrophobicContact CD2-CD1 4.28Å; F61-L87 HydrophobicContact CE2-CD1 3.67Å; F61-L87 HydrophobicContact CZ-CD1 4.48Å
62D90.3Very high83Confident2 Ų249.2 Ų49.21%0.01127%0.273CS..EExtended strand (participates in β ladder)trans-118.8144-175.3-61.1-14.3000109.4I52 R60 R69 Y70 Y71I52-D62 PolarHBondContact N-O 3.43Å; I52-D62 PolarHBondContact O-N 3.38Å; R60-D62 IonicContact CZ-OD1 3.65Å; R60-D62 IonicContact CZ-OD2 3.56Å; R60-D62 IonicContact NE-OD1 3.9Å; R60-D62 PolarHBondContact NE-OD1 2.68Å; R60-D62 VanDerWaalsContact NE-OD1 3.09Å; R60-D62 IonicContact NE-OD2 2.72Å; R60-D62 IonicContact NH2-OD1 2.96Å; R60-D62 IonicContact NH2-OD2 2.77Å; R60-D62 PolarHBondContact NH2-OD2 3.18Å; D62-R69 HydrophobicContact CB-CG 4.36Å; D62-R69 IonicContact OD2-CZ 3.76Å; D62-R69 VanDerWaalsContact OD2-CZ 3.25Å; D62-R69 IonicContact OD2-NE 3.8Å; D62-R69 PolarHBondContact OD2-NE 3.47Å; D62-R69 IonicContact OD2-NH2 2.79Å; D62-R69 PolarHBondContact OD2-NH2 2.85Å; D62-Y70 CarbonylContact C-O 3.53Å; D62-Y70 VanDerWaalsContact CA-O 3.29Å; D62-Y70 WeakPolarHBondContact CA-O 3.02Å; D62-Y71 WeakPolarHBondContact OD1-CA 3.41Å; D62-Y71 WeakPolarHBondContact OD2-CD1 3.31Å
63L89.6Confident83.4Confident2 Ų251 Ų511%0.0128%0.277CS..EExtended strand (participates in β ladder)trans-105.9124.7173.7-58.5-179.2000108.9L27 D50 V51 F61 R69 Y70 L72 L87L27-L63 HydrophobicContact CD2-CD1 3.3Å; D50-L63 CarbonylContact O-C 3.48Å; D50-L63 WeakPolarHBondContact O-CA 3.49Å; V51-L63 HydrophobicContact CB-CD2 4.29Å; V51-L63 HydrophobicContact CG1-CD2 4.15Å; V51-L63 HydrophobicContact CG2-CD2 3.75Å; F61-L63 HydrophobicContact CD2-CD2 4.44Å; F61-L63 HydrophobicContact CE2-CD2 4.5Å; L63-R69 CarbonylContact O-C 3.58Å; L63-R69 VanDerWaalsContact O-CA 3.29Å; L63-R69 WeakPolarHBondContact O-CA 3.45Å; L63-Y70 PolarHBondContact N-O 3.49Å; L63-Y70 PolarHBondContact O-N 3.21Å; L63-L72 HydrophobicContact CD1-CD1 3.55Å; L63-L72 HydrophobicContact CG-CD1 3.82Å; L63-L87 HydrophobicContact CD2-CD1 4.03Å
64I83.6Confident83.8Confident42 Ų4247.9 Ų47.922%0.21526%0.259CS..EExtended strand (participates in β ladder)trans-109.3121.4178.2-57.2-170.6000108.9C49 D50 I52 R69C49-I64 CarbonylContact C-O 3.39Å; C49-I64 VanDerWaalsContact CA-O 3.31Å; C49-I64 WeakPolarHBondContact CA-O 3.43Å; C49-I64 PolarHBondContact SG-O 3.13Å; D50-I64 HydrophobicContact CB-CB 4.45Å; D50-I64 PolarHBondContact N-O 2.89Å; D50-I64 PolarHBondContact O-N 3.49Å; I52-I64 HydrophobicContact CD1-CD1 3.37Å; I52-I64 HydrophobicContact CD1-CG1 4.24Å; I52-I64 HydrophobicContact CG1-CD1 4.16Å; I64-R69 HydrophobicContact CG1-CG 4.33Å
65L79.7Confident84.3Confident47 Ų4750.6 Ų50.625%0.24627%0.274CS..EExtended strand (participates in β ladder)trans-128.482.6-178.5-170.276.1000108.8V44 V48 C49 E67 Q68V44-L65 HydrophobicContact CB-CD2 4.4Å; V44-L65 HydrophobicContact CG1-CB 4.5Å; V44-L65 HydrophobicContact CG1-CD1 3.73Å; V44-L65 HydrophobicContact CG1-CD2 3.78Å; V44-L65 HydrophobicContact CG1-CG 4.22Å; V44-L65 HydrophobicContact CG2-CD2 4.02Å; V48-L65 HydrophobicContact CB-CD1 4.12Å; V48-L65 HydrophobicContact CG2-CD1 3.47Å; V48-L65 VanDerWaalsContact CG2-CD1 3.47Å; V48-L65 WeakPolarHBondContact O-CD1 3.4Å; C49-L65 HydrophobicContact CB-CD1 3.94Å; L65-E67 PolarHBondContact O-N 3.45Å; L65-Q68 HydrophobicContact CB-CB 4.43Å; L65-Q68 PolarHBondContact N-O 3.1Å; L65-Q68 PolarHBondContact O-N 3.22Å
66G72.3Confident85Confident72 Ų7247.5 Ų47.574%0.74225%0.252SS*.THydrogen-bonded Turntrans58-106.5-171.700000111.3
67E65.9Low85.6Confident138 Ų13851.9 Ų51.965%0.64526%0.258SS*.THydrogen-bonded Turntrans-87.4-17.1178.9-42.6-167.6168.600114.3L65 R482L65-E67 PolarHBondContact O-N 3.45Å; E67-R482 IonicContact OE1-CZ 3.25Å; E67-R482 IonicContact OE1-NH2 2.67Å; E67-R482 PolarHBondContact OE1-NH2 3.32Å; E67-R482 IonicContact OE2-NH2 3.25Å; E67-R482 PolarHBondContact OE2-NH2 3.46Å
68Q72.7Confident86Confident114 Ų11453.5 Ų53.553%0.53328%0.275SS..EExtended strand (participates in β ladder)trans-93.1129.3-174.3-64.9-65.8-30.400109.8L65L65-Q68 HydrophobicContact CB-CB 4.43Å; L65-Q68 PolarHBondContact N-O 3.1Å; L65-Q68 PolarHBondContact O-N 3.22Å
69R84.3Confident86.4Confident51 Ų5152.8 Ų52.819%0.19227%0.269CS..EExtended strand (participates in β ladder)trans-118123.3174.2-173.3165.7178171.91.8110.2D62 L63 I64 Y71 N115D62-R69 HydrophobicContact CB-CG 4.36Å; D62-R69 IonicContact OD2-CZ 3.76Å; D62-R69 VanDerWaalsContact OD2-CZ 3.25Å; D62-R69 IonicContact OD2-NE 3.8Å; D62-R69 PolarHBondContact OD2-NE 3.47Å; D62-R69 IonicContact OD2-NH2 2.79Å; D62-R69 PolarHBondContact OD2-NH2 2.85Å; L63-R69 CarbonylContact O-C 3.58Å; L63-R69 VanDerWaalsContact O-CA 3.29Å; L63-R69 WeakPolarHBondContact O-CA 3.45Å; I64-R69 HydrophobicContact CG1-CG 4.33Å; R69-Y71 HydrophobicContact CB-CE2 4.39Å; R69-Y71 HydrophobicContact CG-CD1 4.29Å; R69-Y71 HydrophobicContact CG-CE1 3.89Å; R69-Y71 HydrophobicContact CG-CE2 4.2Å; R69-Y71 VanDerWaalsContact NE-CE1 3.28Å; R69-N115 PolarHBondContact NH1-ND2 3.22Å; R69-N115 PolarHBondContact NH1-OD1 2.8Å
70Y88.3Confident86.6Confident37 Ų3750.4 Ų50.415%0.14526%0.26CS..EExtended strand (participates in β ladder)trans-100.8112.3171.2-64.1-1.4000108.8Y29 V44 D62 L63Y29-Y70 HydrophobicContact CE1-CE2 4.28Å; V44-Y70 HydrophobicContact CG2-CD2 4.09Å; V44-Y70 HydrophobicContact CG2-CE2 3.29Å; D62-Y70 CarbonylContact C-O 3.53Å; D62-Y70 VanDerWaalsContact CA-O 3.29Å; D62-Y70 WeakPolarHBondContact CA-O 3.02Å; L63-Y70 PolarHBondContact N-O 3.49Å; L63-Y70 PolarHBondContact O-N 3.21Å
71Y90.1Very high86.6Confident48 Ų4853.6 Ų53.619%0.18828%0.275CS..EExtended strand (participates in β ladder)trans-81.1118.8171.4-52.3-82.6000108.8W8 W15 D62 R69W8-Y71 HydrophobicContact CB-CD2 4.16Å; W8-Y71 HydrophobicContact CB-CG 4.35Å; W8-Y71 HydrophobicContact CG-CD2 4.45Å; W8-Y71 PolarHBondContact N-O 3.5Å; W15-Y71 VanDerWaalsContact CZ3-O 3.24Å; W15-Y71 WeakPolarHBondContact CZ3-O 3.13Å; D62-Y71 WeakPolarHBondContact OD1-CA 3.41Å; D62-Y71 WeakPolarHBondContact OD2-CD1 3.31Å; R69-Y71 HydrophobicContact CB-CE2 4.39Å; R69-Y71 HydrophobicContact CG-CD1 4.29Å; R69-Y71 HydrophobicContact CG-CE1 3.89Å; R69-Y71 HydrophobicContact CG-CE2 4.2Å; R69-Y71 VanDerWaalsContact NE-CE1 3.28Å
72L93.9Very high86.6Confident0 Ų061.5 Ų61.50%031%0.305CS..EExtended strand (participates in β ladder)trans-124.3142.6-176.6-56.2177.1000110.7L5 L6 K7 F20 R60 F61 L63L5-L72 HydrophobicContact CD1-CD1 4.22Å; L6-L72 CarbonylContact O-C 3.47Å; L6-L72 WeakPolarHBondContact O-CA 3.27Å; K7-L72 HydrophobicContact CB-CD2 3.88Å; K7-L72 HydrophobicContact CG-CD2 3.8Å; F20-L72 HydrophobicContact CE1-CD1 4.35Å; F20-L72 HydrophobicContact CE1-CD2 4.01Å; F20-L72 HydrophobicContact CE2-CD2 4.14Å; F20-L72 HydrophobicContact CZ-CD1 4.49Å; F20-L72 HydrophobicContact CZ-CD2 3.42Å; F20-L72 VanDerWaalsContact CZ-CD2 3.42Å; R60-L72 WeakPolarHBondContact CA-O 3.46Å; R60-L72 WeakPolarHBondContact CG-O 3.22Å; F61-L72 HydrophobicContact CD1-CB 4.39Å; F61-L72 HydrophobicContact CD2-CB 4.3Å; F61-L72 HydrophobicContact CD2-CD1 4.37Å; F61-L72 HydrophobicContact CE1-CB 4.05Å; F61-L72 HydrophobicContact CE2-CB 3.95Å; F61-L72 HydrophobicContact CE2-CD1 3.6Å; F61-L72 HydrophobicContact CE2-CG 4.39Å; F61-L72 HydrophobicContact CZ-CB 3.83Å; F61-L72 HydrophobicContact CZ-CD1 3.95Å; F61-L72 PolarHBondContact N-O 3.12Å; F61-L72 CarbonylContact O-C 3.58Å; F61-L72 WeakPolarHBondContact O-CA 3.32Å; F61-L72 VanDerWaalsContact O-CB 3.31Å; F61-L72 WeakPolarHBondContact O-CB 3.47Å; F61-L72 PolarHBondContact O-N 3.33Å; L63-L72 HydrophobicContact CD1-CD1 3.55Å; L63-L72 HydrophobicContact CG-CD1 3.82Å
73R92.9Very high86.8Confident66 Ų6661.5 Ų61.525%0.24931%0.305CS..EExtended strand (participates in β ladder)trans-134.7127.1175.5-160.6179.5-161-174.75109.6L6 W15 D57 R59 R60L6-R73 HydrophobicContact CB-CB 4.13Å; L6-R73 WeakPolarHBondContact CB-O 3.35Å; L6-R73 PolarHBondContact N-O 2.63Å; L6-R73 PolarHBondContact O-N 2.85Å; W15-R73 HydrophobicContact CE3-CB 4.14Å; W15-R73 HydrophobicContact CH2-CB 4.13Å; W15-R73 HydrophobicContact CZ3-CB 3.81Å; D57-R73 VanDerWaalsContact CG-NH2 3.26Å; D57-R73 IonicContact OD1-CZ 2.71Å; D57-R73 IonicContact OD1-NE 3.1Å; D57-R73 IonicContact OD1-NH2 3.72Å; D57-R73 PolarHBondContact OD1-NH2 3.47Å; D57-R73 IonicContact OD2-CZ 2.96Å; D57-R73 IonicContact OD2-NE 3.67Å; D57-R73 PolarHBondContact OD2-NE 3.09Å; D57-R73 IonicContact OD2-NH2 2.77Å; D57-R73 PolarHBondContact OD2-NH2 3.46Å; R59-R73 HydrophobicContact CB-CG 3.79Å; R59-R73 VanDerWaalsContact NH2-NH2 3.16Å; R59-R73 CarbonylContact O-C 3.56Å; R59-R73 WeakPolarHBondContact O-CA 3.43Å; R60-R73 HydrophobicContact CB-CG 4.39Å
74A93.9Very high86.7Confident0 Ų062.7 Ų62.70%031%0.312CS..  trans-82.3166.2177.200000112L5 R59 S76 D79 R80L5-A74 HydrophobicContact CD2-CB 3.8Å; R59-A74 PolarHBondContact NH1-O 3.17Å; R59-A74 PolarHBondContact O-N 3.45Å; A74-S76 VanDerWaalsContact C-N 3.3Å; A74-D79 HydrophobicContact CB-CB 4.16Å; A74-R80 VanDerWaalsContact CB-CA 3.48Å; A74-R80 HydrophobicContact CB-CB 3.58Å; A74-R80 VanDerWaalsContact CB-N 3.26Å
75L90.3Very high86.9Confident98 Ų9865 Ų6551%0.51332%0.324SS..SBendtrans-70-29.8177.5-61.4178.7000111.8I4I4-L75 HydrophobicContact CB-CD1 4.47Å
76S89.7Confident87.2Confident52 Ų5263.7 Ų63.736%0.36432%0.32SS..SBendtrans-146167.1177.573.60000112.3A74 A78 D79 R80A74-S76 VanDerWaalsContact C-N 3.3Å; S76-A78 VanDerWaalsContact C-N 3.31Å; S76-A78 PolarHBondContact O-N 2.82Å; S76-D79 PolarHBondContact O-N 3.44Å; S76-D79 VanDerWaalsContact OG-CB 3.28Å; S76-D79 WeakPolarHBondContact OG-CB 3.46Å; S76-D79 PolarHBondContact OG-N 2.84Å; S76-R80 PolarHBondContact O-N 2.89Å
77R88.2Confident88Confident163 Ų16360.3 Ų60.362%0.61529%0.285SS*.Hα-helixtrans-58.7-43.7174.2-167.2-173.8-142.6115.52.6111.8P58 D79 R80 Q81P58-R77 HydrophobicContact CB-CG 4.24Å; P58-R77 VanDerWaalsContact CB-CZ 3.41Å; R77-D79 VanDerWaalsContact C-N 3.35Å; R77-R80 PolarHBondContact O-N 3.21Å; R77-Q81 PolarHBondContact O-N 3.44Å
78A88.8Confident88.7Confident59 Ų5955.4 Ų55.449%0.48827%0.271SS..Hα-helixtrans-65.1-40.8178.500000111.3S76 Q81 R82S76-A78 VanDerWaalsContact C-N 3.31Å; S76-A78 PolarHBondContact O-N 2.82Å; A78-Q81 WeakPolarHBondContact O-CB 3.42Å; A78-Q81 PolarHBondContact O-N 3.32Å; A78-R82 WeakPolarHBondContact O-CG 3.33Å; A78-R82 PolarHBondContact O-N 3.31Å
79D92.3Very high89Confident28 Ų2853.7 Ų53.715%0.1527%0.272CS..Hα-helixtrans-67.1-43.2178.4-167.946.4000111.9A74 S76 R77 Q81 R82 W83A74-D79 HydrophobicContact CB-CB 4.16Å; S76-D79 PolarHBondContact O-N 3.44Å; S76-D79 VanDerWaalsContact OG-CB 3.28Å; S76-D79 WeakPolarHBondContact OG-CB 3.46Å; S76-D79 PolarHBondContact OG-N 2.84Å; R77-D79 VanDerWaalsContact C-N 3.35Å; D79-Q81 VanDerWaalsContact C-N 3.25Å; D79-Q81 PolarHBondContact O-N 3.06Å; D79-R82 WeakPolarHBondContact O-CB 3.42Å; D79-R82 PolarHBondContact O-N 2.91Å; D79-R82 VanDerWaalsContact O-N 3.15Å; D79-W83 VanDerWaalsContact O-CD1 3.3Å; D79-W83 PolarHBondContact O-N 3.02Å
80R92.6Very high88.4Confident26 Ų2653.4 Ų53.410%0.09828%0.278CS..Hα-helixtrans-54.6-44.4170.5175.1-91.9-55.9180-7111.1P58 F61 A74 S76 R77 W83 V84P58-R80 VanDerWaalsContact O-CZ 3.23Å; P58-R80 PolarHBondContact O-NE 3.48Å; P58-R80 PolarHBondContact O-NH2 3.02Å; F61-R80 HydrophobicContact CD1-CB 4.47Å; F61-R80 HydrophobicContact CD1-CG 3.67Å; F61-R80 HydrophobicContact CE1-CG 4.33Å; F61-R80 HydrophobicContact CG-CG 4.45Å; A74-R80 VanDerWaalsContact CB-CA 3.48Å; A74-R80 HydrophobicContact CB-CB 3.58Å; A74-R80 VanDerWaalsContact CB-N 3.26Å; S76-R80 PolarHBondContact O-N 2.89Å; R77-R80 PolarHBondContact O-N 3.21Å; R80-W83 PolarHBondContact O-N 2.92Å; R80-V84 HydrophobicContact CG-CG2 4.41Å; R80-V84 VanDerWaalsContact O-CG2 3.32Å; R80-V84 WeakPolarHBondContact O-CG2 3.35Å; R80-V84 PolarHBondContact O-N 3.01Å
81Q89Confident87.1Confident81 Ų8155.2 Ų55.238%0.37929%0.286SS..Hα-helixtrans-64.2-41.5179.6-169.559.433.500112R77 A78 D79 W83 V84 I85R77-Q81 PolarHBondContact O-N 3.44Å; A78-Q81 WeakPolarHBondContact O-CB 3.42Å; A78-Q81 PolarHBondContact O-N 3.32Å; D79-Q81 VanDerWaalsContact C-N 3.25Å; D79-Q81 PolarHBondContact O-N 3.06Å; Q81-W83 VanDerWaalsContact C-N 3.34Å; Q81-W83 PolarHBondContact O-N 3.41Å; Q81-V84 PolarHBondContact O-N 3.5Å; Q81-I85 HydrophobicContact CG-CD1 3.88Å; Q81-I85 HydrophobicContact CG-CG1 4.47Å; Q81-I85 WeakPolarHBondContact O-CB 3.46Å; Q81-I85 VanDerWaalsContact O-CG1 3.23Å; Q81-I85 WeakPolarHBondContact O-CG1 3.33Å; Q81-I85 PolarHBondContact O-N 3.28Å
82R90.6Very high85.4Confident166 Ų16657 Ų5763%0.62630%0.302SS*.Hα-helixtrans-59.2-45.1174.6-70.1176-171.4167.30.3111.7M1 A78 D79 I85 A86M1-R82 HydrophobicContact CE-CB 3.9Å; A78-R82 WeakPolarHBondContact O-CG 3.33Å; A78-R82 PolarHBondContact O-N 3.31Å; D79-R82 WeakPolarHBondContact O-CB 3.42Å; D79-R82 PolarHBondContact O-N 2.91Å; D79-R82 VanDerWaalsContact O-N 3.15Å; R82-I85 PolarHBondContact O-N 3.48Å; R82-A86 WeakPolarHBondContact O-CB 3.29Å; R82-A86 PolarHBondContact O-N 2.93Å
83W93.6Very high83.2Confident1 Ų160.3 Ų60.30%0.00434%0.336CS..Hα-helixtrans-61.7-50.5177.3-84103.6000111.8M1 L5 F20 L22 L27 F61 D79 R80 Q81 I85 A86 L87M1-W83 HydrophobicContact CE-CB 4.24Å; M1-W83 HydrophobicContact CE-CD2 3.43Å; M1-W83 VanDerWaalsContact CE-CD2 3.43Å; M1-W83 HydrophobicContact CE-CE3 4Å; M1-W83 HydrophobicContact CE-CG 3.52Å; M1-W83 HydrophobicContact CE-CZ2 4.15Å; M1-W83 HydrophobicContact CG-CH2 4.36Å; M1-W83 HydrophobicContact CG-CZ3 4.32Å; M1-W83 HydrophobicContact SD-CD2 3.96Å; M1-W83 HydrophobicContact SD-CE3 3.89Å; M1-W83 HydrophobicContact SD-CG 4.36Å; M1-W83 HydrophobicContact SD-CZ3 4.27Å; L5-W83 HydrophobicContact CD1-CD2 3.81Å; L5-W83 HydrophobicContact CD1-CE3 4.22Å; L5-W83 HydrophobicContact CD1-CG 4.19Å; L5-W83 HydrophobicContact CD1-CZ2 4.11Å; L5-W83 HydrophobicContact CD2-CD2 4.39Å; L5-W83 HydrophobicContact CD2-CG 4.08Å; L5-W83 HydrophobicContact CG-CD2 4.3Å; L5-W83 HydrophobicContact CG-CG 4.5Å; L5-W83 HydrophobicContact CG-CZ2 4.18Å; F20-W83 HydrophobicContact CB-CH2 3.44Å; F20-W83 VanDerWaalsContact CB-CH2 3.44Å; F20-W83 HydrophobicContact CB-CZ2 3.93Å; F20-W83 HydrophobicContact CB-CZ3 4.15Å; L22-W83 HydrophobicContact CB-CZ3 4.21Å; L27-W83 HydrophobicContact CD1-CE3 4.49Å; L27-W83 HydrophobicContact CD1-CH2 4.41Å; L27-W83 HydrophobicContact CD1-CZ3 3.69Å; F61-W83 HydrophobicContact CE1-CB 4.18Å; F61-W83 HydrophobicContact CE2-CB 4.48Å; F61-W83 HydrophobicContact CZ-CB 3.79Å; F61-W83 HydrophobicContact CZ-CG 4.21Å; D79-W83 VanDerWaalsContact O-CD1 3.3Å; D79-W83 PolarHBondContact O-N 3.02Å; R80-W83 PolarHBondContact O-N 2.92Å; Q81-W83 VanDerWaalsContact C-N 3.34Å; Q81-W83 PolarHBondContact O-N 3.41Å; W83-I85 VanDerWaalsContact C-N 3.31Å; W83-I85 PolarHBondContact O-N 3.44Å; W83-A86 PolarHBondContact O-N 3.32Å; W83-L87 WeakPolarHBondContact O-CB 3.17Å; W83-L87 WeakPolarHBondContact O-CD1 3.34Å; W83-L87 WeakPolarHBondContact O-CG 3.29Å; W83-L87 PolarHBondContact O-N 3.5Å
84V89.2Confident80.8Confident27 Ų2762.9 Ų62.916%0.16436%0.359CS..Hα-helixtrans-58.1-43.9179.1171.50000111.4V51 V53 F61 R80 Q81 G88V51-V84 HydrophobicContact CG1-CG1 4.47Å; V51-V84 HydrophobicContact CG1-CG2 4.37Å; V53-V84 HydrophobicContact CG2-CG1 4.18Å; V53-V84 HydrophobicContact CG2-CG2 4.04Å; F61-V84 HydrophobicContact CB-CG2 4.12Å; F61-V84 HydrophobicContact CD2-CG2 4.38Å; F61-V84 HydrophobicContact CG-CG2 4.11Å; R80-V84 HydrophobicContact CG-CG2 4.41Å; R80-V84 VanDerWaalsContact O-CG2 3.32Å; R80-V84 WeakPolarHBondContact O-CG2 3.35Å; R80-V84 PolarHBondContact O-N 3.01Å; Q81-V84 PolarHBondContact O-N 3.5Å; V84-G88 PolarHBondContact O-N 2.93Å
85I86.4Confident77.9Confident92 Ų9266.9 Ų66.947%0.47238%0.384SS..Hα-helixtrans-61.6-50.5176.4-68.8167.2000110.5Q81 R82 W83 L87 G88 S89Q81-I85 HydrophobicContact CG-CD1 3.88Å; Q81-I85 HydrophobicContact CG-CG1 4.47Å; Q81-I85 WeakPolarHBondContact O-CB 3.46Å; Q81-I85 VanDerWaalsContact O-CG1 3.23Å; Q81-I85 WeakPolarHBondContact O-CG1 3.33Å; Q81-I85 PolarHBondContact O-N 3.28Å; R82-I85 PolarHBondContact O-N 3.48Å; W83-I85 VanDerWaalsContact C-N 3.31Å; W83-I85 PolarHBondContact O-N 3.44Å; I85-L87 VanDerWaalsContact C-N 3.33Å; I85-L87 PolarHBondContact O-N 3.32Å; I85-G88 PolarHBondContact O-N 2.88Å; I85-S89 WeakPolarHBondContact O-CB 3.31Å; I85-S89 PolarHBondContact O-N 3.42Å; I85-S89 PolarHBondContact O-OG 3.39Å; I85-S89 VanDerWaalsContact O-OG 3.07Å
86A87.2Confident75Confident19 Ų1968.9 Ų68.916%0.15740%0.402CS..Hα-helixtrans-63.3-38.4-177.500000112.9M1 L22 R82 W83 S90M1-A86 HydrophobicContact CB-CB 4.22Å; M1-A86 HydrophobicContact CG-CB 4.4Å; M1-A86 HydrophobicContact SD-CB 3.28Å; M1-A86 WeakPolarHBondContact SD-CB 3.37Å; L22-A86 HydrophobicContact CD2-CB 3.91Å; R82-A86 WeakPolarHBondContact O-CB 3.29Å; R82-A86 PolarHBondContact O-N 2.93Å; W83-A86 PolarHBondContact O-N 3.32Å; A86-S90 WeakPolarHBondContact O-CB 3.31Å; A86-S90 PolarHBondContact O-N 3.25Å; A86-S90 PolarHBondContact O-OG 3.31Å
87L89.2Confident72.4Confident1 Ų173 Ų731%0.00542%0.42CS..Hα-helixtrans-65.1-44.2174.8-66165.1000111L22 L27 L46 V51 F61 L63 W83 I85 S90 K91L22-L87 HydrophobicContact CD2-CD2 4.07Å; L22-L87 HydrophobicContact CD2-CG 4.45Å; L27-L87 HydrophobicContact CB-CD2 4.44Å; L27-L87 HydrophobicContact CD1-CD2 4.19Å; L27-L87 HydrophobicContact CD2-CD2 3.99Å; L27-L87 HydrophobicContact CG-CD2 4.45Å; L46-L87 HydrophobicContact CD1-CB 4.42Å; L46-L87 HydrophobicContact CD1-CD2 3.83Å; L46-L87 HydrophobicContact CD2-CD2 3.6Å; L46-L87 HydrophobicContact CG-CD2 4.36Å; V51-L87 HydrophobicContact CG1-CD1 4.46Å; V51-L87 HydrophobicContact CG2-CB 4.11Å; F61-L87 HydrophobicContact CD2-CD1 4.28Å; F61-L87 HydrophobicContact CE2-CD1 3.67Å; F61-L87 HydrophobicContact CZ-CD1 4.48Å; L63-L87 HydrophobicContact CD2-CD1 4.03Å; W83-L87 WeakPolarHBondContact O-CB 3.17Å; W83-L87 WeakPolarHBondContact O-CD1 3.34Å; W83-L87 WeakPolarHBondContact O-CG 3.29Å; W83-L87 PolarHBondContact O-N 3.5Å; I85-L87 VanDerWaalsContact C-N 3.33Å; I85-L87 PolarHBondContact O-N 3.32Å; L87-S90 PolarHBondContact O-N 3.38Å; L87-K91 PolarHBondContact O-N 2.71Å
88G80.7Confident69.6Low34 Ų3474.4 Ų74.435%0.35143%0.43SS..Hα-helixtrans-62.5-48.4175.600000112.5V84 I85 S90 K91V84-G88 PolarHBondContact O-N 2.93Å; I85-G88 PolarHBondContact O-N 2.88Å; G88-S90 VanDerWaalsContact C-N 3.31Å; G88-S90 PolarHBondContact O-N 2.97Å; G88-K91 WeakPolarHBondContact O-CB 3.43Å; G88-K91 PolarHBondContact O-N 3.46Å; G88-K91 VanDerWaalsContact O-N 3.11Å
89S77.8Confident66.9Low79 Ų7977.1 Ų77.155%0.55245%0.446SS*.Hα-helixtrans-62.1-37.4178.6-59.70000112.7I85 K91 V92I85-S89 WeakPolarHBondContact O-CB 3.31Å; I85-S89 PolarHBondContact O-N 3.42Å; I85-S89 PolarHBondContact O-OG 3.39Å; I85-S89 VanDerWaalsContact O-OG 3.07Å; S89-K91 VanDerWaalsContact C-N 3.26Å; S89-K91 PolarHBondContact O-N 2.95Å; S89-V92 PolarHBondContact O-N 2.9Å
90S71.5Confident64.3Low45 Ų4584.6 Ų84.632%0.31548%0.48SS..Hα-helixtrans-71.5-20.4177.9-60.20000113.1A86 L87 G88A86-S90 WeakPolarHBondContact O-CB 3.31Å; A86-S90 PolarHBondContact O-N 3.25Å; A86-S90 PolarHBondContact O-OG 3.31Å; L87-S90 PolarHBondContact O-N 3.38Å; G88-S90 VanDerWaalsContact C-N 3.31Å; G88-S90 PolarHBondContact O-N 2.97Å
91K62Low61.3Low74 Ų7490.5 Ų90.532%0.32251%0.513SS..Hα-helixtrans-76.1-26175.4-163.6171.5178.7179.90112.4C49 D50 L87 G88 S89C49-K91 VanDerWaalsContact O-CE 3.31Å; C49-K91 WeakPolarHBondContact O-CE 3.46Å; C49-K91 PolarHBondContact O-NZ 3.38Å; D50-K91 IonicContact OD1-NZ 3.12Å; D50-K91 PolarHBondContact OD1-NZ 3.41Å; L87-K91 PolarHBondContact O-N 2.71Å; G88-K91 WeakPolarHBondContact O-CB 3.43Å; G88-K91 PolarHBondContact O-N 3.46Å; G88-K91 VanDerWaalsContact O-N 3.11Å; S89-K91 VanDerWaalsContact C-N 3.26Å; S89-K91 PolarHBondContact O-N 2.95Å
92V53.1Low58.8Low87 Ų8793 Ų9353%0.52753%0.534SS..Hα-helixtrans-84.8-12.5-175.5-179.20000113S89 T94S89-V92 PolarHBondContact O-N 2.9Å; V92-T94 PolarHBondContact O-N 3.44Å
93G47.6Very low56Low68 Ų6892.2 Ų92.270%0.70154%0.542SS*.THydrogen-bonded Turntrans-68.86.6-173.300000118.1
94T43.8Very low53.3Low121 Ų12199 Ų9974%0.74258%0.577SS**THydrogen-bonded Turntrans-123.43.2179.440.20000115.7V92V92-T94 PolarHBondContact O-N 3.44Å
95T31.5Very low51Low84 Ų84104.1 Ų104.152%0.51559%0.594SS.*SBendtrans-153.5126.3170.748.10000110.2L97T95-L97 PolarHBondContact O-N 3.32Å
96P30.4Very low48.8Very low139 Ų139107.7 Ų107.790%0.90361%0.609SS**  trans-76.896.1177.931.4-29.8000109
97L34.7Very low47.3Very low140 Ų140108 Ų10873%0.73361%0.609SS**  trans-121.1137.5169.6-76.8166.2000109.5T95T95-L97 PolarHBondContact O-N 3.32Å
98K30.6Very low45.9Very low191 Ų191110 Ų11083%0.8362%0.623SS**  trans-54.8144.7-167-68.8170.6175.9175.90112.1E100K98-E100 VanDerWaalsContact C-N 3.32Å; K98-E100 PolarHBondContact O-N 2.88Å
99S30.7Very low45Very low117 Ų117111.9 Ų111.982%0.81862%0.623SS**THydrogen-bonded Turntrans-59.585.1170.650.70000111.2
100E37.6Very low44.5Very low185 Ų185109.9 Ų109.986%0.86461%0.608SS**THydrogen-bonded Turntrans-164.9-14.2162-110.4158.1-162.400114.5K98K98-E100 VanDerWaalsContact C-N 3.32Å; K98-E100 PolarHBondContact O-N 2.88Å
101D30.6Very low44.1Very low149 Ų149110.1 Ų110.180%0.79760%0.604SS**  trans-113.674.5-177.1-64.2-41000113.8N103D101-N103 VanDerWaalsContact C-N 3.27Å; D101-N103 PolarHBondContact O-N 3.28Å; D101-N103 VanDerWaalsContact O-N 3.14Å
102V35.4Very low44.4Very low133 Ų133109.1 Ų109.181%0.80660%0.602SS**  trans-77.291.7153.1179.30000105.9I104V102-I104 VanDerWaalsContact C-N 3.3Å; V102-I104 HydrophobicContact CG1-CG1 4.44Å; V102-I104 PolarHBondContact O-N 2.85Å
103N31.9Very low45.3Very low151 Ų151105.2 Ų105.281%0.80758%0.578SS**  trans-6890.8178.6-145.6-4000108.6D101 Y105D101-N103 VanDerWaalsContact C-N 3.27Å; D101-N103 PolarHBondContact O-N 3.28Å; D101-N103 VanDerWaalsContact O-N 3.14Å; N103-Y105 VanDerWaalsContact C-N 3.32Å; N103-Y105 PolarHBondContact O-N 3.29Å
104I37.5Very low46.4Very low144 Ų144104.4 Ų104.474%0.73856%0.557SS**  trans-65.897.8170.1-61.4173.3000105.3V102 E106V102-I104 VanDerWaalsContact C-N 3.3Å; V102-I104 HydrophobicContact CG1-CG1 4.44Å; V102-I104 PolarHBondContact O-N 2.85Å; I104-E106 PolarHBondContact O-N 3.44Å
105Y40.8Very low47.6Very low133 Ų133100.7 Ų100.752%0.52253%0.533SS..  trans-65.2101.2175.2-171.4-97.6000108.4N103 P107 Q111N103-Y105 VanDerWaalsContact C-N 3.32Å; N103-Y105 PolarHBondContact O-N 3.29Å; Y105-P107 WeakPolarHBondContact O-CD 3.46Å; Y105-Q111 PolarHBondContact OH-NE2 3.01Å; Y105-Q111 PolarHBondContact OH-OE1 3.38Å
106E40Very low49.8Very low167 Ų16798 Ų9878%0.7851%0.514SS*.  trans-74.2115.1169-166.9171.8-170.500107.4I104 S108I104-E106 PolarHBondContact O-N 3.44Å; E106-S108 PolarHBondContact O-N 3.33Å
107P55.7Low51.9Low25 Ų2597.4 Ų97.416%0.16249%0.494CS..  trans-62.3139.1-177.8-12.925.4000109.3Y105 Q111 L112Y105-P107 WeakPolarHBondContact O-CD 3.46Å; P107-Q111 HydrophobicContact CB-CB 4.17Å; P107-L112 HydrophobicContact CB-CD2 3.84Å; P107-L112 HydrophobicContact CB-CG 4.03Å; P107-L112 HydrophobicContact CG-CD2 3.85Å
108S60.4Low53.9Low43 Ų4393.1 Ų93.130%0.30148%0.476SS..  trans-59.6152.4175700000110.5E106 T110 Q111 L112E106-S108 PolarHBondContact O-N 3.33Å; S108-T110 PolarHBondContact O-N 2.99Å; S108-T110 VanDerWaalsContact O-N 3.11Å; S108-Q111 WeakPolarHBondContact O-CA 3.47Å; S108-Q111 WeakPolarHBondContact O-CB 3.5Å; S108-Q111 PolarHBondContact O-N 3.1Å; S108-Q111 VanDerWaalsContact OG-CG 3.31Å; S108-Q111 WeakPolarHBondContact OG-CG 3.45Å; S108-Q111 PolarHBondContact OG-N 3.24Å; S108-L112 PolarHBondContact O-N 2.95Å
109Q62.4Low56.1Low75 Ų7584.7 Ų84.735%0.3544%0.44SS..Hα-helixtrans-54.1-36-179.8-171.7172.218.300112.5L112 I113 L173 A176Q109-L112 PolarHBondContact O-N 3.38Å; Q109-I113 HydrophobicContact CG-CD1 4.32Å; Q109-I113 VanDerWaalsContact O-CG1 3.31Å; Q109-I113 WeakPolarHBondContact O-CG1 3.5Å; Q109-I113 PolarHBondContact O-N 3.33Å; Q109-L173 PolarHBondContact NE2-O 3.49Å; Q109-A176 VanDerWaalsContact NE2-CB 3.28Å
110T67.2Low58.5Low37 Ų3780 Ų8023%0.22741%0.405CS..Hα-helixtrans-63.5-44.6173.3-50.70000112.1S108 L112 I113 D114S108-T110 PolarHBondContact O-N 2.99Å; S108-T110 VanDerWaalsContact O-N 3.11Å; T110-L112 VanDerWaalsContact C-N 3.33Å; T110-L112 PolarHBondContact O-N 3.11Å; T110-I113 PolarHBondContact O-N 3.1Å; T110-D114 PolarHBondContact O-N 2.93Å
111Q62.5Low60.5Low50 Ų5077.7 Ų77.723%0.23439%0.389CS..Hα-helixtrans-64.9-37175.8-72.6171.6-2.100112Y105 P107 S108 D114 N115Y105-Q111 PolarHBondContact OH-NE2 3.01Å; Y105-Q111 PolarHBondContact OH-OE1 3.38Å; P107-Q111 HydrophobicContact CB-CB 4.17Å; S108-Q111 WeakPolarHBondContact O-CA 3.47Å; S108-Q111 WeakPolarHBondContact O-CB 3.5Å; S108-Q111 PolarHBondContact O-N 3.1Å; S108-Q111 VanDerWaalsContact OG-CG 3.31Å; S108-Q111 WeakPolarHBondContact OG-CG 3.45Å; S108-Q111 PolarHBondContact OG-N 3.24Å; Q111-D114 PolarHBondContact O-N 3.28Å; Q111-N115 VanDerWaalsContact O-CB 3.27Å; Q111-N115 WeakPolarHBondContact O-CB 3.39Å; Q111-N115 PolarHBondContact O-N 3.26Å; Q111-N115 PolarHBondContact O-ND2 3.18Å; Q111-N115 VanDerWaalsContact O-ND2 3.15Å
112L68.1Low62.5Low52 Ų5271.9 Ų71.927%0.27236%0.357SS..Hα-helixtrans-60.9-51.1172.7-68174.6000110.5P107 S108 Q109 T110 D114 N115 H116 L173P107-L112 HydrophobicContact CB-CD2 3.84Å; P107-L112 HydrophobicContact CB-CG 4.03Å; P107-L112 HydrophobicContact CG-CD2 3.85Å; S108-L112 PolarHBondContact O-N 2.95Å; Q109-L112 PolarHBondContact O-N 3.38Å; T110-L112 VanDerWaalsContact C-N 3.33Å; T110-L112 PolarHBondContact O-N 3.11Å; L112-D114 VanDerWaalsContact C-N 3.3Å; L112-D114 PolarHBondContact O-N 2.96Å; L112-N115 WeakPolarHBondContact O-CB 3.28Å; L112-N115 PolarHBondContact O-N 2.78Å; L112-N115 VanDerWaalsContact O-N 3.12Å; L112-H116 PolarHBondContact O-CD2 3.46Å; L112-H116 PolarHBondContact O-N 2.78Å; L112-L173 HydrophobicContact CB-CD1 3.88Å; L112-L173 HydrophobicContact CB-CD2 4.43Å; L112-L173 HydrophobicContact CD1-CD2 4.17Å
113I71.9Confident64.6Low5 Ų566.9 Ų66.93%0.02632%0.324CS..Hα-helixtrans-55-45.7177.5-72.9168.7000111.2Q109 T110 H116 R117 L170 L173Q109-I113 HydrophobicContact CG-CD1 4.32Å; Q109-I113 VanDerWaalsContact O-CG1 3.31Å; Q109-I113 WeakPolarHBondContact O-CG1 3.5Å; Q109-I113 PolarHBondContact O-N 3.33Å; T110-I113 PolarHBondContact O-N 3.1Å; I113-H116 PolarHBondContact O-N 3.25Å; I113-R117 WeakPolarHBondContact O-CB 3.33Å; I113-R117 VanDerWaalsContact O-CG 3.27Å; I113-R117 WeakPolarHBondContact O-CG 3.49Å; I113-R117 PolarHBondContact O-N 3.3Å; I113-L170 HydrophobicContact CB-CD1 4.19Å; I113-L170 HydrophobicContact CG1-CD1 4.26Å; I113-L170 HydrophobicContact CG2-CD1 3.9Å; I113-L173 HydrophobicContact CD1-CB 4.48Å; I113-L173 HydrophobicContact CG1-CB 3.87Å
114D71.4Confident67Low52 Ų5264.4 Ų64.428%0.27831%0.307SS..Hα-helixtrans-69.2-34.4179.7-73.4-24.6000113T110 Q111 L112 R117 S118T110-D114 PolarHBondContact O-N 2.93Å; Q111-D114 PolarHBondContact O-N 3.28Å; L112-D114 VanDerWaalsContact C-N 3.3Å; L112-D114 PolarHBondContact O-N 2.96Å; D114-R117 IonicContact OD1-NH1 3.62Å; D114-S118 WeakPolarHBondContact O-CB 3.24Å; D114-S118 PolarHBondContact O-N 3.46Å; D114-S118 PolarHBondContact O-OG 3.05Å
115N69.3Low68.9Low42 Ų4260.5 Ų60.523%0.22529%0.288CS..Hα-helixtrans-63.4-51.9172.2-73.5-27.1000110.9R69 Q111 L112 R117 S118 E119R69-N115 PolarHBondContact NH1-ND2 3.22Å; R69-N115 PolarHBondContact NH1-OD1 2.8Å; Q111-N115 VanDerWaalsContact O-CB 3.27Å; Q111-N115 WeakPolarHBondContact O-CB 3.39Å; Q111-N115 PolarHBondContact O-N 3.26Å; Q111-N115 PolarHBondContact O-ND2 3.18Å; Q111-N115 VanDerWaalsContact O-ND2 3.15Å; L112-N115 WeakPolarHBondContact O-CB 3.28Å; L112-N115 PolarHBondContact O-N 2.78Å; L112-N115 VanDerWaalsContact O-N 3.12Å; N115-R117 VanDerWaalsContact C-N 3.35Å; N115-R117 PolarHBondContact O-N 3.27Å; N115-S118 PolarHBondContact O-N 3.17Å; N115-S118 VanDerWaalsContact O-N 3.08Å; N115-E119 WeakPolarHBondContact O-CG 3.48Å; N115-E119 PolarHBondContact O-N 2.99Å
116H76.1Confident70.7Confident27 Ų2755.3 Ų55.313%0.12527%0.269CS..Hα-helixtrans-60.8-41.5178.1-80.1-84.6000111.8L112 I113 S118 E119 L120 T166 E169 L170 L173L112-H116 PolarHBondContact O-CD2 3.46Å; L112-H116 PolarHBondContact O-N 2.78Å; I113-H116 PolarHBondContact O-N 3.25Å; H116-S118 VanDerWaalsContact C-N 3.28Å; H116-S118 PolarHBondContact O-N 3.29Å; H116-E119 PolarHBondContact O-N 2.9Å; H116-L120 WeakPolarHBondContact O-CB 3.5Å; H116-L120 WeakPolarHBondContact O-CG 3.22Å; H116-L120 PolarHBondContact O-N 3.25Å; H116-T166 HydrophobicContact CB-CG2 4.27Å; H116-T166 WeakPolarHBondContact ND1-CG2 3.29Å; H116-E169 IonicContact CE1-OE2 2.76Å; H116-E169 PolarHBondContact CE1-OE2 2.9Å; H116-E169 IonicContact ND1-OE2 3.58Å; H116-L170 HydrophobicContact CB-CB 4.04Å; H116-L170 HydrophobicContact CB-CD1 3.88Å; H116-L170 HydrophobicContact CB-CG 4.43Å; H116-L173 VanDerWaalsContact CD2-CD1 3.42Å; H116-L173 WeakPolarHBondContact CD2-CD1 3.41Å
117R76.1Confident72.9Confident127 Ų12748.9 Ų48.948%0.47924%0.24SC..Hα-helixtrans-60.3-37.5173.6-77.1173.3173.1171-0.9112.8I113 D114 N115 R121 L170I113-R117 WeakPolarHBondContact O-CB 3.33Å; I113-R117 VanDerWaalsContact O-CG 3.27Å; I113-R117 WeakPolarHBondContact O-CG 3.49Å; I113-R117 PolarHBondContact O-N 3.3Å; D114-R117 IonicContact OD1-NH1 3.62Å; N115-R117 VanDerWaalsContact C-N 3.35Å; N115-R117 PolarHBondContact O-N 3.27Å; R117-R121 WeakPolarHBondContact O-CG 3.45Å; R117-R121 PolarHBondContact O-N 3.37Å; R117-R121 VanDerWaalsContact O-N 3.17Å; R117-R121 PolarHBondContact O-NE 3.37Å; R117-L170 HydrophobicContact CG-CD1 4.15Å; R117-L170 HydrophobicContact CG-CD2 3.83Å
118S75.6Confident74.4Confident51 Ų5150.3 Ų50.336%0.35725%0.248SC..Hα-helixtrans-73.5-38178.5-58.10000111.6D114 N115 H116 R121 L122D114-S118 WeakPolarHBondContact O-CB 3.24Å; D114-S118 PolarHBondContact O-N 3.46Å; D114-S118 PolarHBondContact O-OG 3.05Å; N115-S118 PolarHBondContact O-N 3.17Å; N115-S118 VanDerWaalsContact O-N 3.08Å; H116-S118 VanDerWaalsContact C-N 3.28Å; H116-S118 PolarHBondContact O-N 3.29Å; S118-R121 PolarHBondContact O-N 2.95Å; S118-L122 PolarHBondContact O-N 3.34Å
119E76.9Confident75.4Confident13 Ų1351.6 Ų51.66%0.06125%0.249CC..Hα-helixtrans-64.6-43.4172-70.5-167.8168.600112.1R60 N115 H116 R121 L122 Y123 T166R60-E119 IonicContact CZ-OE1 2.97Å; R60-E119 IonicContact NH1-OE1 3.21Å; R60-E119 PolarHBondContact NH1-OE1 3.38Å; R60-E119 IonicContact NH2-OE1 3.85Å; R60-E119 PolarHBondContact NH2-OE1 2.96Å; N115-E119 WeakPolarHBondContact O-CG 3.48Å; N115-E119 PolarHBondContact O-N 2.99Å; H116-E119 PolarHBondContact O-N 2.9Å; E119-R121 VanDerWaalsContact C-N 3.33Å; E119-R121 PolarHBondContact O-N 2.97Å; E119-L122 CarbonylContact O-C 3.54Å; E119-L122 WeakPolarHBondContact O-CA 3.42Å; E119-L122 VanDerWaalsContact O-CB 3.23Å; E119-L122 WeakPolarHBondContact O-CB 3.4Å; E119-L122 PolarHBondContact O-N 2.99Å; E119-Y123 HydrophobicContact CB-CD2 4.47Å; E119-Y123 HydrophobicContact CB-CE2 3.89Å; E119-Y123 WeakPolarHBondContact O-CD2 3.13Å; E119-Y123 PolarHBondContact O-N 3.32Å; E119-T166 HydrophobicContact CB-CG2 3.94Å
120L82.1Confident76.4Confident18 Ų1848.8 Ų48.89%0.09424%0.236CC..Hα-helixtrans-60.2-41.9175-73.8174.2000112.5H116 L122 Y123 H124 F163 T166 L167 L170H116-L120 WeakPolarHBondContact O-CB 3.5Å; H116-L120 WeakPolarHBondContact O-CG 3.22Å; H116-L120 PolarHBondContact O-N 3.25Å; L120-L122 VanDerWaalsContact C-N 3.25Å; L120-L122 PolarHBondContact O-N 2.92Å; L120-Y123 PolarHBondContact O-N 3.47Å; L120-H124 WeakPolarHBondContact O-CB 3.36Å; L120-H124 PolarHBondContact O-N 3.45Å; L120-F163 HydrophobicContact CB-CE2 4.16Å; L120-F163 HydrophobicContact CD2-CD1 4.45Å; L120-F163 HydrophobicContact CD2-CD2 3.67Å; L120-F163 HydrophobicContact CD2-CE1 4.46Å; L120-F163 HydrophobicContact CD2-CE2 3.68Å; L120-F163 HydrophobicContact CD2-CG 4.07Å; L120-F163 HydrophobicContact CD2-CZ 4.09Å; L120-F163 VanDerWaalsContact CD2-O 3.27Å; L120-F163 WeakPolarHBondContact CD2-O 3.38Å; L120-T166 HydrophobicContact CD2-CG2 4.01Å; L120-T166 HydrophobicContact CG-CG2 3.93Å; L120-L167 HydrophobicContact CD1-CB 4.39Å; L120-L167 HydrophobicContact CD1-CD1 3.81Å; L120-L167 HydrophobicContact CD2-CB 3.92Å; L120-L170 HydrophobicContact CD1-CB 4.41Å; L120-L170 HydrophobicContact CD1-CD2 3.46Å; L120-L170 VanDerWaalsContact CD1-CD2 3.46Å
121R78.5Confident77.4Confident138 Ų13849.8 Ų49.852%0.52124%0.242SC..Hα-helixtrans-62-37172.5-78.8-176.1-78.5-140.51.2111.6R117 S118 E119 N125R117-R121 WeakPolarHBondContact O-CG 3.45Å; R117-R121 PolarHBondContact O-N 3.37Å; R117-R121 VanDerWaalsContact O-N 3.17Å; R117-R121 PolarHBondContact O-NE 3.37Å; S118-R121 PolarHBondContact O-N 2.95Å; E119-R121 VanDerWaalsContact C-N 3.33Å; E119-R121 PolarHBondContact O-N 2.97Å; R121-N125 VanDerWaalsContact O-CG 3.29Å; R121-N125 PolarHBondContact O-N 3.47Å; R121-N125 VanDerWaalsContact O-N 3.12Å; R121-N125 PolarHBondContact O-ND2 2.9Å
122L72.9Confident78.7Confident26 Ų2653.7 Ų53.714%0.13626%0.258CS..Hα-helixtrans-63.2-50.6177.2-175.588.4000110.8W8 Y11 S118 E119 L120 N125 L126W8-L122 HydrophobicContact CZ2-CD1 4.22Å; W8-L122 HydrophobicContact CZ2-CD2 3.83Å; W8-L122 HydrophobicContact CZ2-CG 4.16Å; Y11-L122 HydrophobicContact CD1-CD1 3.85Å; Y11-L122 HydrophobicContact CD1-CG 4.37Å; Y11-L122 HydrophobicContact CE1-CB 4.13Å; Y11-L122 HydrophobicContact CE1-CD1 3.1Å; Y11-L122 HydrophobicContact CE1-CG 3.67Å; Y11-L122 WeakPolarHBondContact CE1-O 3.23Å; Y11-L122 HydrophobicContact CE2-CD1 4.46Å; Y11-L122 VanDerWaalsContact CZ-CD1 3.47Å; S118-L122 PolarHBondContact O-N 3.34Å; E119-L122 CarbonylContact O-C 3.54Å; E119-L122 WeakPolarHBondContact O-CA 3.42Å; E119-L122 VanDerWaalsContact O-CB 3.23Å; E119-L122 WeakPolarHBondContact O-CB 3.4Å; E119-L122 PolarHBondContact O-N 2.99Å; L120-L122 VanDerWaalsContact C-N 3.25Å; L120-L122 PolarHBondContact O-N 2.92Å; L122-N125 PolarHBondContact O-N 2.65Å; L122-L126 PolarHBondContact O-N 3.06Å
123Y80.2Confident79.4Confident29 Ų2954.8 Ų54.811%0.11426%0.262CS..Hα-helixtrans-65.8-39.7179.8-60.9-44.8000112.5E119 L120 N125 L126 M127 T162 T166E119-Y123 HydrophobicContact CB-CD2 4.47Å; E119-Y123 HydrophobicContact CB-CE2 3.89Å; E119-Y123 WeakPolarHBondContact O-CD2 3.13Å; E119-Y123 PolarHBondContact O-N 3.32Å; L120-Y123 PolarHBondContact O-N 3.47Å; Y123-N125 PolarHBondContact O-N 3.36Å; Y123-L126 WeakPolarHBondContact O-CB 3.34Å; Y123-L126 PolarHBondContact O-N 3.29Å; Y123-M127 WeakPolarHBondContact O-CG 3.28Å; Y123-M127 PolarHBondContact O-N 2.9Å; Y123-T162 HydrophobicContact CD1-CG2 4.45Å; Y123-T162 HydrophobicContact CD2-CG2 4.49Å; Y123-T162 HydrophobicContact CE1-CG2 3.81Å; Y123-T162 HydrophobicContact CE2-CG2 3.86Å; Y123-T162 VanDerWaalsContact CZ-CG2 3.48Å; Y123-T166 HydrophobicContact CE2-CG2 4.19Å; Y123-T166 WeakPolarHBondContact CE2-OG1 3.49Å
124H81.7Confident80.1Confident98 Ų9855.7 Ų55.745%0.45427%0.266SS..Hα-helixtrans-56.3-49.5172.9172.3-91.5000111.5L120 L126 M127 V128 F163L120-H124 WeakPolarHBondContact O-CB 3.36Å; L120-H124 PolarHBondContact O-N 3.45Å; H124-L126 VanDerWaalsContact C-N 3.3Å; H124-L126 PolarHBondContact O-N 3.46Å; H124-M127 PolarHBondContact O-N 2.85Å; H124-V128 WeakPolarHBondContact O-CG2 3.41Å; H124-V128 PolarHBondContact O-N 2.85Å; H124-F163 HydrophobicContact CB-CE2 4.31Å
125N78.2Confident80.8Confident63 Ų6358.8 Ų58.834%0.33728%0.279SS..Hα-helixtrans-63-37.6178.4-71.9-24.9000112.2Y11 R121 L122 Y123 Q129Y11-N125 HydrophobicContact CD1-CB 3.9Å; Y11-N125 HydrophobicContact CE1-CB 3.62Å; Y11-N125 PolarHBondContact OH-ND2 3.5Å; R121-N125 VanDerWaalsContact O-CG 3.29Å; R121-N125 PolarHBondContact O-N 3.47Å; R121-N125 VanDerWaalsContact O-N 3.12Å; R121-N125 PolarHBondContact O-ND2 2.9Å; L122-N125 PolarHBondContact O-N 2.65Å; Y123-N125 PolarHBondContact O-N 3.36Å; N125-Q129 WeakPolarHBondContact O-CG 3.39Å; N125-Q129 PolarHBondContact O-N 3.06Å; N125-Q129 VanDerWaalsContact O-N 3.08Å
126L78.5Confident81.4Confident24 Ų2459.9 Ų59.913%0.12629%0.29CS..Hα-helixtrans-62.9-47.3175179.163.6000111.7W8 Y11 L122 Y123 H124 V128 Q129 Q130W8-L126 HydrophobicContact CH2-CD2 4.31Å; Y11-L126 WeakPolarHBondContact O-CD1 3.34Å; L122-L126 PolarHBondContact O-N 3.06Å; Y123-L126 WeakPolarHBondContact O-CB 3.34Å; Y123-L126 PolarHBondContact O-N 3.29Å; H124-L126 VanDerWaalsContact C-N 3.3Å; H124-L126 PolarHBondContact O-N 3.46Å; L126-V128 PolarHBondContact O-N 3.49Å; L126-Q129 PolarHBondContact O-N 2.86Å; L126-Q129 VanDerWaalsContact O-N 3.14Å; L126-Q130 HydrophobicContact CD1-CG 4.44Å; L126-Q130 WeakPolarHBondContact O-CG 3.29Å; L126-Q130 PolarHBondContact O-N 3.33Å
127M85.8Confident81.6Confident31 Ų3162.8 Ų62.815%0.15330%0.302CS..Hα-helixtrans-61.2-44.4177.7-69.7-170.3-62.700111.5Y123 H124 Q129 Q130 V131 L156 C160 F163Y123-M127 WeakPolarHBondContact O-CG 3.28Å; Y123-M127 PolarHBondContact O-N 2.9Å; H124-M127 PolarHBondContact O-N 2.85Å; M127-Q129 PolarHBondContact O-N 2.97Å; M127-Q130 PolarHBondContact O-N 3.03Å; M127-V131 WeakPolarHBondContact O-CB 3.4Å; M127-V131 VanDerWaalsContact O-CG2 3.29Å; M127-V131 WeakPolarHBondContact O-CG2 3.39Å; M127-V131 PolarHBondContact O-N 3.39Å; M127-L156 HydrophobicContact CB-CD1 4Å; M127-L156 HydrophobicContact CG-CD1 4.02Å; M127-C160 HydrophobicContact SD-CB 4.25Å; M127-C160 PolarHBondContact SD-SG 3.37Å; M127-F163 HydrophobicContact CE-CB 4.15Å; M127-F163 HydrophobicContact CE-CD1 4.34Å; M127-F163 HydrophobicContact CE-CD2 3.78Å; M127-F163 HydrophobicContact CE-CE2 4.27Å; M127-F163 HydrophobicContact CE-CG 3.83Å; M127-F163 HydrophobicContact SD-CB 4.47Å
128V85.8Confident81.8Confident56 Ų5661.7 Ų61.734%0.33931%0.305SS..Hα-helixtrans-58.4-38.7175.6170.90000111.3H124 L126 K132H124-V128 WeakPolarHBondContact O-CG2 3.41Å; H124-V128 PolarHBondContact O-N 2.85Å; L126-V128 PolarHBondContact O-N 3.49Å; V128-K132 HydrophobicContact CG1-CD 4.43Å; V128-K132 WeakPolarHBondContact O-CG 3.21Å; V128-K132 PolarHBondContact O-N 3.32Å; V128-K132 VanDerWaalsContact O-N 3.13Å
129Q81.5Confident81.9Confident69 Ų6965.8 Ų65.832%0.32232%0.317SS..Hα-helixtrans-70.1-44.5176.9-73.7-178.74.500112.6Y11 N125 L126 M127 V131 K132 E133Y11-Q129 VanDerWaalsContact C-OE1 3.31Å; Y11-Q129 VanDerWaalsContact CB-OE1 3.22Å; Y11-Q129 PolarHBondContact O-OE1 3.42Å; N125-Q129 WeakPolarHBondContact O-CG 3.39Å; N125-Q129 PolarHBondContact O-N 3.06Å; N125-Q129 VanDerWaalsContact O-N 3.08Å; L126-Q129 PolarHBondContact O-N 2.86Å; L126-Q129 VanDerWaalsContact O-N 3.14Å; M127-Q129 PolarHBondContact O-N 2.97Å; Q129-V131 VanDerWaalsContact C-N 3.33Å; Q129-V131 PolarHBondContact O-N 3.32Å; Q129-K132 WeakPolarHBondContact O-CB 3.45Å; Q129-K132 PolarHBondContact O-N 3.05Å; Q129-K132 VanDerWaalsContact O-N 3.17Å; Q129-E133 PolarHBondContact O-N 3.02Å
130Q84.4Confident81.1Confident16 Ų1674.6 Ų74.68%0.07536%0.358CS..Hα-helixtrans-60.6-42.3176.7-72.8165.4-24.300111.6L126 M127 K132 E133 I134 M155 L156 S159L126-Q130 HydrophobicContact CD1-CG 4.44Å; L126-Q130 WeakPolarHBondContact O-CG 3.29Å; L126-Q130 PolarHBondContact O-N 3.33Å; M127-Q130 PolarHBondContact O-N 3.03Å; Q130-K132 PolarHBondContact O-N 3.2Å; Q130-E133 PolarHBondContact O-N 3.23Å; Q130-I134 VanDerWaalsContact O-CG1 3.32Å; Q130-I134 WeakPolarHBondContact O-CG1 3.5Å; Q130-I134 PolarHBondContact O-N 3.34Å; Q130-M155 PolarHBondContact NE2-O 2.87Å; Q130-L156 HydrophobicContact CB-CB 4.4Å; Q130-L156 HydrophobicContact CB-CD1 4.1Å; Q130-S159 PolarHBondContact NE2-OG 3.37Å; Q130-S159 PolarHBondContact OE1-OG 2.84Å; Q130-S159 VanDerWaalsContact OE1-OG 3.1Å
131V89Confident80.2Confident58 Ų5878 Ų7835%0.35240%0.398SS..Hα-helixtrans-60.9-43.9174.3170.60000111.1M127 Q129 E133 I134 Q135 L156M127-V131 WeakPolarHBondContact O-CB 3.4Å; M127-V131 VanDerWaalsContact O-CG2 3.29Å; M127-V131 WeakPolarHBondContact O-CG2 3.39Å; M127-V131 PolarHBondContact O-N 3.39Å; Q129-V131 VanDerWaalsContact C-N 3.33Å; Q129-V131 PolarHBondContact O-N 3.32Å; V131-E133 VanDerWaalsContact C-N 3.34Å; V131-E133 PolarHBondContact O-N 3.05Å; V131-I134 PolarHBondContact O-N 3.29Å; V131-Q135 HydrophobicContact CG1-CG 4.46Å; V131-Q135 WeakPolarHBondContact O-CB 3.26Å; V131-Q135 VanDerWaalsContact O-CG 3.27Å; V131-Q135 WeakPolarHBondContact O-CG 3.35Å; V131-Q135 PolarHBondContact O-N 3.26Å; V131-L156 HydrophobicContact CG2-CD1 4.14Å; V131-L156 HydrophobicContact CG2-CD2 3.98Å
132K88.4Confident79.8Confident133 Ų13375.9 Ų75.958%0.57840%0.401SS*.Hα-helixtrans-63.5-37.4176-76176.8-179.9-177.40112.7V128 Q129 Q130 S136V128-K132 HydrophobicContact CG1-CD 4.43Å; V128-K132 WeakPolarHBondContact O-CG 3.21Å; V128-K132 PolarHBondContact O-N 3.32Å; V128-K132 VanDerWaalsContact O-N 3.13Å; Q129-K132 WeakPolarHBondContact O-CB 3.45Å; Q129-K132 PolarHBondContact O-N 3.05Å; Q129-K132 VanDerWaalsContact O-N 3.17Å; Q130-K132 PolarHBondContact O-N 3.2Å; K132-S136 WeakPolarHBondContact O-CB 3.46Å; K132-S136 PolarHBondContact O-N 3.03Å
133E83.6Confident79.8Confident74 Ų7481.3 Ų81.335%0.34643%0.434SS..Hα-helixtrans-67.5-44.3177.4-167.4175.616400111.1Q129 Q130 V131 Q135 S136 K137 R148 L152Q129-E133 PolarHBondContact O-N 3.02Å; Q130-E133 PolarHBondContact O-N 3.23Å; V131-E133 VanDerWaalsContact C-N 3.34Å; V131-E133 PolarHBondContact O-N 3.05Å; E133-Q135 PolarHBondContact O-N 3.42Å; E133-S136 WeakPolarHBondContact O-CB 3.48Å; E133-S136 PolarHBondContact O-N 3.05Å; E133-S136 VanDerWaalsContact O-N 3.17Å; E133-K137 WeakPolarHBondContact O-CG 3.33Å; E133-K137 PolarHBondContact O-N 2.95Å; E133-K137 VanDerWaalsContact O-N 3.08Å; E133-R148 IonicContact OE1-CZ 2.88Å; E133-R148 IonicContact OE1-NE 3.75Å; E133-R148 IonicContact OE1-NH2 3.67Å; E133-R148 PolarHBondContact OE1-NH2 3.33Å; E133-L152 HydrophobicContact CB-CD1 4.44Å; E133-L152 HydrophobicContact CB-CD2 4.2Å; E133-L152 HydrophobicContact CG-CD1 3.85Å; E133-L152 HydrophobicContact CG-CD2 3.88Å; E133-L152 WeakPolarHBondContact OE1-CD2 3.47Å; E133-L152 WeakPolarHBondContact OE2-CD2 3.35Å
134I86.3Confident79.4Confident24 Ų2482.8 Ų82.812%0.12345%0.447CS..Hα-helixtrans-58.9-48.7173.8-67.2166.9000110.4Q130 V131 S136 K137 L138 L152 L156Q130-I134 VanDerWaalsContact O-CG1 3.32Å; Q130-I134 WeakPolarHBondContact O-CG1 3.5Å; Q130-I134 PolarHBondContact O-N 3.34Å; V131-I134 PolarHBondContact O-N 3.29Å; I134-S136 VanDerWaalsContact C-N 3.27Å; I134-S136 PolarHBondContact O-N 3.27Å; I134-K137 PolarHBondContact O-N 3.22Å; I134-K137 VanDerWaalsContact O-N 3.1Å; I134-L138 HydrophobicContact CG2-CD1 3.75Å; I134-L138 WeakPolarHBondContact O-CG 3.42Å; I134-L138 PolarHBondContact O-N 3.44Å; I134-L138 VanDerWaalsContact O-N 3.14Å; I134-L152 HydrophobicContact CD1-CB 4.1Å; I134-L152 HydrophobicContact CG1-CB 3.61Å; I134-L152 HydrophobicContact CG1-CD1 4.23Å; I134-L152 HydrophobicContact CG1-CG 4.46Å; I134-L156 HydrophobicContact CD1-CD2 4.04Å
135Q85.3Confident79.3Confident118 Ų11882 Ų8255%0.55145%0.447SS*.Hα-helixtrans-58.2-38.6176-74.9174.5-14.700112.3V131 E133 K137 L138 K139V131-Q135 HydrophobicContact CG1-CG 4.46Å; V131-Q135 WeakPolarHBondContact O-CB 3.26Å; V131-Q135 VanDerWaalsContact O-CG 3.27Å; V131-Q135 WeakPolarHBondContact O-CG 3.35Å; V131-Q135 PolarHBondContact O-N 3.26Å; E133-Q135 PolarHBondContact O-N 3.42Å; Q135-K137 VanDerWaalsContact C-N 3.32Å; Q135-K137 PolarHBondContact O-N 3.5Å; Q135-L138 PolarHBondContact O-N 3.23Å; Q135-K139 PolarHBondContact O-N 3.5Å
136S83.6Confident79.5Confident65 Ų6584.3 Ų84.346%0.45546%0.457SS..Hα-helixtrans-67.2-31.7177.8-171.70000113K132 E133 I134 L138K132-S136 WeakPolarHBondContact O-CB 3.46Å; K132-S136 PolarHBondContact O-N 3.03Å; E133-S136 WeakPolarHBondContact O-CB 3.48Å; E133-S136 PolarHBondContact O-N 3.05Å; E133-S136 VanDerWaalsContact O-N 3.17Å; I134-S136 VanDerWaalsContact C-N 3.27Å; I134-S136 PolarHBondContact O-N 3.27Å; S136-L138 VanDerWaalsContact C-N 3.34Å
137K79.1Confident79.8Confident87 Ų8789.4 Ų89.438%0.37848%0.484SS..Hα-helixtrans-78.8-19.9177.4-66.5-67.4-178175.40113E133 I134 Q135 I149 L152E133-K137 WeakPolarHBondContact O-CG 3.33Å; E133-K137 PolarHBondContact O-N 2.95Å; E133-K137 VanDerWaalsContact O-N 3.08Å; I134-K137 PolarHBondContact O-N 3.22Å; I134-K137 VanDerWaalsContact O-N 3.1Å; Q135-K137 VanDerWaalsContact C-N 3.32Å; Q135-K137 PolarHBondContact O-N 3.5Å; K137-I149 HydrophobicContact CB-CD1 4.44Å; K137-I149 HydrophobicContact CB-CG1 4.12Å; K137-L152 HydrophobicContact CG-CD1 4.25Å
138L80Confident79.5Confident104 Ų10491.3 Ų91.355%0.54549%0.49SS..THydrogen-bonded Turntrans-96.15.6178.7-69.1168.9000114I134 Q135 S136 E140 I149I134-L138 HydrophobicContact CG2-CD1 3.75Å; I134-L138 WeakPolarHBondContact O-CG 3.42Å; I134-L138 PolarHBondContact O-N 3.44Å; I134-L138 VanDerWaalsContact O-N 3.14Å; Q135-L138 PolarHBondContact O-N 3.23Å; S136-L138 VanDerWaalsContact C-N 3.34Å; L138-E140 PolarHBondContact O-N 3.15Å; L138-I149 HydrophobicContact CD2-CD1 3.85Å; L138-I149 HydrophobicContact CG-CD1 4.34Å
139K78Confident79.5Confident137 Ų13789.3 Ų89.360%0.59648%0.477SS*.  trans-62.8135.4179.2-76.3-174.9177-1780111.9Q135 G141 T142Q135-K139 PolarHBondContact O-N 3.5Å; K139-G141 PolarHBondContact O-N 3.24Å; K139-T142 PolarHBondContact O-N 2.77Å; K139-T142 PolarHBondContact O-OG1 3.3Å
140E59.7Low79.7Confident198 Ų19890.9 Ų90.993%0.92549%0.487SS*.THydrogen-bonded Turntrans-50.8134.3178.4-72.8-179.6163.200112.1L138L138-E140 PolarHBondContact O-N 3.15Å
141G64.9Low79.7Confident91 Ų9194.8 Ų94.894%0.93851%0.506SS*.THydrogen-bonded Turntrans96.4-217800000115.8K139K139-G141 PolarHBondContact O-N 3.24Å
142T69Low79.5Confident93 Ų9392 Ų9257%0.57149%0.489SS*.SBendtrans-114135.8175.5-14.10000110.1K139 P144K139-T142 PolarHBondContact O-N 2.77Å; K139-T142 PolarHBondContact O-OG1 3.3Å; T142-P144 VanDerWaalsContact O-CD 3.27Å; T142-P144 WeakPolarHBondContact O-CD 3.39Å
143V72.2Confident79.5Confident139 Ų13988.9 Ų88.984%0.84248%0.481SS*.  trans-65.4116.8171.2179.60000107.8D145V143-D145 PolarHBondContact O-N 2.96Å
144P72.1Confident79.6Confident60 Ų6087.4 Ų87.439%0.3949%0.486SS..  trans-70.2125.9-175.725.1-30.2000110.5T142 M146 I149T142-P144 VanDerWaalsContact O-CD 3.27Å; T142-P144 WeakPolarHBondContact O-CD 3.39Å; P144-M146 PolarHBondContact O-N 2.99Å; P144-M146 VanDerWaalsContact O-N 3.08Å; P144-I149 HydrophobicContact CB-CD1 3.79Å
145D80.7Confident79.4Confident82 Ų8289.6 Ų89.644%0.43950%0.496SS..  trans-76.692.1171.7-179.4-2.5000109.2V143 N147 R148 I149V143-D145 PolarHBondContact O-N 2.96Å; D145-N147 VanDerWaalsContact C-N 3.27Å; D145-N147 PolarHBondContact O-N 2.96Å; D145-N147 PolarHBondContact OD1-N 2.98Å; D145-R148 HydrophobicContact CB-CB 4.09Å; D145-R148 PolarHBondContact O-N 3.36Å; D145-R148 PolarHBondContact OD1-N 3.4Å; D145-R148 WeakPolarHBondContact OD2-CB 3.38Å; D145-I149 WeakPolarHBondContact O-CG1 3.36Å; D145-I149 PolarHBondContact O-N 2.99Å
146M82.6Confident79.5Confident111 Ų11185.6 Ų85.655%0.54748%0.478SS..Hα-helixtrans-59.1-36.5-176.4-68.8-59.7-64.700112.7P144 R148 I149 D150P144-M146 PolarHBondContact O-N 2.99Å; P144-M146 VanDerWaalsContact O-N 3.08Å; M146-R148 VanDerWaalsContact C-N 3.34Å; M146-R148 PolarHBondContact O-N 3.39Å; M146-I149 PolarHBondContact O-N 2.91Å; M146-I149 HydrophobicContact SD-CD1 4.38Å; M146-D150 WeakPolarHBondContact O-CB 3.48Å; M146-D150 PolarHBondContact O-N 2.97Å
147N83.5Confident79.6Confident132 Ų13287.7 Ų87.771%0.70648%0.484SS*.Hα-helixtrans-64-42.5178.5-68.8-29000111.1D145 D150 E151D145-N147 VanDerWaalsContact C-N 3.27Å; D145-N147 PolarHBondContact O-N 2.96Å; D145-N147 PolarHBondContact OD1-N 2.98Å; N147-D150 PolarHBondContact O-N 3.37Å; N147-E151 PolarHBondContact O-N 3.3Å
148R80.5Confident79.7Confident70 Ų7086.1 Ų86.126%0.26449%0.488SS..Hα-helixtrans-69.5-35.4177.4-17758.2-179.7174.73.6112.1E133 D145 M146 E151 L152E133-R148 IonicContact OE1-CZ 2.88Å; E133-R148 IonicContact OE1-NE 3.75Å; E133-R148 IonicContact OE1-NH2 3.67Å; E133-R148 PolarHBondContact OE1-NH2 3.33Å; D145-R148 HydrophobicContact CB-CB 4.09Å; D145-R148 PolarHBondContact O-N 3.36Å; D145-R148 PolarHBondContact OD1-N 3.4Å; D145-R148 WeakPolarHBondContact OD2-CB 3.38Å; M146-R148 VanDerWaalsContact C-N 3.34Å; M146-R148 PolarHBondContact O-N 3.39Å; R148-E151 WeakPolarHBondContact CD-OE2 3.45Å; R148-E151 IonicContact CZ-OE2 2.74Å; R148-E151 IonicContact NH1-OE1 3.86Å; R148-E151 PolarHBondContact NH1-OE1 3.37Å; R148-E151 VanDerWaalsContact NH1-OE1 3.16Å; R148-E151 IonicContact NH1-OE2 3.16Å; R148-E151 PolarHBondContact NH1-OE2 3.26Å; R148-L152 HydrophobicContact CG-CD1 4.09Å; R148-L152 WeakPolarHBondContact O-CB 3.44Å; R148-L152 WeakPolarHBondContact O-CD1 3.33Å; R148-L152 VanDerWaalsContact O-CG 3.23Å; R148-L152 WeakPolarHBondContact O-CG 3.34Å; R148-L152 PolarHBondContact O-N 3.2Å
149I85.5Confident79.7Confident15 Ų1581.7 Ų81.78%0.07747%0.466CS..Hα-helixtrans-66.3-43.1175.7-68.2165.3000110.6K137 L138 P144 D145 M146 E151 L152 T153K137-I149 HydrophobicContact CB-CD1 4.44Å; K137-I149 HydrophobicContact CB-CG1 4.12Å; L138-I149 HydrophobicContact CD2-CD1 3.85Å; L138-I149 HydrophobicContact CG-CD1 4.34Å; P144-I149 HydrophobicContact CB-CD1 3.79Å; D145-I149 WeakPolarHBondContact O-CG1 3.36Å; D145-I149 PolarHBondContact O-N 2.99Å; M146-I149 PolarHBondContact O-N 2.91Å; M146-I149 HydrophobicContact SD-CD1 4.38Å; I149-E151 VanDerWaalsContact C-N 3.35Å; I149-E151 PolarHBondContact O-N 3.48Å; I149-L152 PolarHBondContact O-N 3.49Å; I149-T153 WeakPolarHBondContact O-CB 3.22Å; I149-T153 PolarHBondContact O-N 3.24Å; I149-T153 PolarHBondContact O-OG1 3.5Å
150D85.1Confident80Confident101 Ų10177.3 Ų77.354%0.5445%0.452SS..Hα-helixtrans-62.4-42.3176.3-77-16.5000111.4M146 N147 T153 G154M146-D150 WeakPolarHBondContact O-CB 3.48Å; M146-D150 PolarHBondContact O-N 2.97Å; N147-D150 PolarHBondContact O-N 3.37Å; D150-T153 PolarHBondContact O-N 2.67Å; D150-G154 PolarHBondContact O-N 3.21Å
151E85.3Confident81Confident99 Ų9970.6 Ų70.646%0.46343%0.427SS..Hα-helixtrans-60.3-48.5174.1-170.2-167.1170.100111.6N147 R148 I149 T153 G154 M155N147-E151 PolarHBondContact O-N 3.3Å; R148-E151 WeakPolarHBondContact CD-OE2 3.45Å; R148-E151 IonicContact CZ-OE2 2.74Å; R148-E151 IonicContact NH1-OE1 3.86Å; R148-E151 PolarHBondContact NH1-OE1 3.37Å; R148-E151 VanDerWaalsContact NH1-OE1 3.16Å; R148-E151 IonicContact NH1-OE2 3.16Å; R148-E151 PolarHBondContact NH1-OE2 3.26Å; I149-E151 VanDerWaalsContact C-N 3.35Å; I149-E151 PolarHBondContact O-N 3.48Å; E151-T153 VanDerWaalsContact C-N 3.32Å; E151-T153 PolarHBondContact O-N 3.16Å; E151-G154 PolarHBondContact O-N 3.38Å; E151-M155 HydrophobicContact CG-CE 4.49Å; E151-M155 WeakPolarHBondContact O-CG 3.19Å; E151-M155 PolarHBondContact O-N 3.33Å
152L84.7Confident81.7Confident0 Ų068.9 Ų68.90%040%0.398CS..Hα-helixtrans-62.1-39.4177.8-73.8165.8000112.3E133 I134 K137 R148 I149 M155 L156E133-L152 HydrophobicContact CB-CD1 4.44Å; E133-L152 HydrophobicContact CB-CD2 4.2Å; E133-L152 HydrophobicContact CG-CD1 3.85Å; E133-L152 HydrophobicContact CG-CD2 3.88Å; E133-L152 WeakPolarHBondContact OE1-CD2 3.47Å; E133-L152 WeakPolarHBondContact OE2-CD2 3.35Å; I134-L152 HydrophobicContact CD1-CB 4.1Å; I134-L152 HydrophobicContact CG1-CB 3.61Å; I134-L152 HydrophobicContact CG1-CD1 4.23Å; I134-L152 HydrophobicContact CG1-CG 4.46Å; K137-L152 HydrophobicContact CG-CD1 4.25Å; R148-L152 HydrophobicContact CG-CD1 4.09Å; R148-L152 WeakPolarHBondContact O-CB 3.44Å; R148-L152 WeakPolarHBondContact O-CD1 3.33Å; R148-L152 VanDerWaalsContact O-CG 3.23Å; R148-L152 WeakPolarHBondContact O-CG 3.34Å; R148-L152 PolarHBondContact O-N 3.2Å; I149-L152 PolarHBondContact O-N 3.49Å; L152-M155 HydrophobicContact CB-CE 4.49Å; L152-M155 HydrophobicContact CD2-CE 3.5Å; L152-M155 HydrophobicContact CG-CE 4.17Å; L152-M155 PolarHBondContact O-N 3.38Å; L152-L156 WeakPolarHBondContact O-CB 3.31Å; L152-L156 PolarHBondContact O-N 3.12Å
153T87Confident82.4Confident66 Ų6666.8 Ų66.841%0.40538%0.381SS..Hα-helixtrans-67.3-41.1177.4-56.20000111I149 D150 E151 L156 N157I149-T153 WeakPolarHBondContact O-CB 3.22Å; I149-T153 PolarHBondContact O-N 3.24Å; I149-T153 PolarHBondContact O-OG1 3.5Å; D150-T153 PolarHBondContact O-N 2.67Å; E151-T153 VanDerWaalsContact C-N 3.32Å; E151-T153 PolarHBondContact O-N 3.16Å; T153-L156 PolarHBondContact O-N 3.47Å; T153-N157 PolarHBondContact O-N 3.49Å
154G85.6Confident82.9Confident43 Ų4364.9 Ų64.944%0.44337%0.366SS..Hα-helixtrans-61.1-43.117300000112.7D150 E151 N157 A158D150-G154 PolarHBondContact O-N 3.21Å; E151-G154 PolarHBondContact O-N 3.38Å; G154-N157 PolarHBondContact O-N 3.2Å; G154-A158 PolarHBondContact O-N 2.86Å
155M82.2Confident83.1Confident70 Ų7066.7 Ų66.735%0.34537%0.371SS..Hα-helixtrans-65.1-38.7175.1-70.7-169.8-64.600112.6Q130 E151 L152 A158 S159Q130-M155 PolarHBondContact NE2-O 2.87Å; E151-M155 HydrophobicContact CG-CE 4.49Å; E151-M155 WeakPolarHBondContact O-CG 3.19Å; E151-M155 PolarHBondContact O-N 3.33Å; L152-M155 HydrophobicContact CB-CE 4.49Å; L152-M155 HydrophobicContact CD2-CE 3.5Å; L152-M155 HydrophobicContact CG-CE 4.17Å; L152-M155 PolarHBondContact O-N 3.38Å; M155-A158 PolarHBondContact O-N 3.35Å; M155-S159 WeakPolarHBondContact O-CB 3.44Å; M155-S159 PolarHBondContact O-N 2.92Å; M155-S159 PolarHBondContact O-OG 3.24Å
156L87.7Confident83Confident34 Ų3463 Ų6318%0.17835%0.351CS..Hα-helixtrans-63.1-47.2175.2-179.962.2000111M127 Q130 V131 I134 L152 T153 A158 S159 C160M127-L156 HydrophobicContact CB-CD1 4Å; M127-L156 HydrophobicContact CG-CD1 4.02Å; Q130-L156 HydrophobicContact CB-CB 4.4Å; Q130-L156 HydrophobicContact CB-CD1 4.1Å; V131-L156 HydrophobicContact CG2-CD1 4.14Å; V131-L156 HydrophobicContact CG2-CD2 3.98Å; I134-L156 HydrophobicContact CD1-CD2 4.04Å; L152-L156 WeakPolarHBondContact O-CB 3.31Å; L152-L156 PolarHBondContact O-N 3.12Å; T153-L156 PolarHBondContact O-N 3.47Å; L156-A158 VanDerWaalsContact C-N 3.34Å; L156-A158 PolarHBondContact O-N 2.89Å; L156-S159 WeakPolarHBondContact O-CB 3.43Å; L156-S159 PolarHBondContact O-N 3.39Å; L156-S159 VanDerWaalsContact O-N 3.08Å; L156-C160 PolarHBondContact O-N 3.38Å; L156-C160 PolarHBondContact O-SG 3.16Å; L156-C160 VanDerWaalsContact O-SG 3.33Å
157N85.7Confident83Confident109 Ų10961 Ų6158%0.58334%0.343SS*.Hα-helixtrans-60.1-43.6178.5-163.522.9000111.8T153 G154 S159 C160 S161T153-N157 PolarHBondContact O-N 3.49Å; G154-N157 PolarHBondContact O-N 3.2Å; N157-S159 VanDerWaalsContact C-N 3.3Å; N157-S159 PolarHBondContact O-N 3.41Å; N157-C160 WeakPolarHBondContact O-CB 3.45Å; N157-C160 PolarHBondContact O-N 3.14Å; N157-S161 PolarHBondContact O-N 3.43Å; N157-S161 PolarHBondContact O-OG 3.06Å; N157-S161 VanDerWaalsContact O-OG 3.11Å
158A81Confident82.6Confident54 Ų5458.7 Ų58.745%0.44633%0.33SS..Hα-helixtrans-62.1-36.7174.800000112.8G154 M155 L156 T162G154-A158 PolarHBondContact O-N 2.86Å; M155-A158 PolarHBondContact O-N 3.35Å; L156-A158 VanDerWaalsContact C-N 3.34Å; L156-A158 PolarHBondContact O-N 2.89Å; A158-T162 PolarHBondContact O-N 3.4Å; A158-T162 PolarHBondContact O-OG1 3.1Å
159S80.8Confident82.4Confident12 Ų1257.8 Ų57.88%0.08433%0.329CS..Hα-helixtrans-69.5-41.5177.1-54.70000111.3Q130 M155 L156 N157 T162 F163Q130-S159 PolarHBondContact NE2-OG 3.37Å; Q130-S159 PolarHBondContact OE1-OG 2.84Å; Q130-S159 VanDerWaalsContact OE1-OG 3.1Å; M155-S159 WeakPolarHBondContact O-CB 3.44Å; M155-S159 PolarHBondContact O-N 2.92Å; M155-S159 PolarHBondContact O-OG 3.24Å; L156-S159 WeakPolarHBondContact O-CB 3.43Å; L156-S159 PolarHBondContact O-N 3.39Å; L156-S159 VanDerWaalsContact O-N 3.08Å; N157-S159 VanDerWaalsContact C-N 3.3Å; N157-S159 PolarHBondContact O-N 3.41Å; S159-T162 PolarHBondContact O-N 3.3Å; S159-F163 WeakPolarHBondContact O-CB 3.46Å; S159-F163 PolarHBondContact O-N 3.29Å
160C84.7Confident82.2Confident44 Ų4458.1 Ų58.130%0.29733%0.331SS..Hα-helixtrans-59.6-47.9172.1-67.90000111.8M127 L156 N157 T162 F163 L164M127-C160 HydrophobicContact SD-CB 4.25Å; M127-C160 PolarHBondContact SD-SG 3.37Å; L156-C160 PolarHBondContact O-N 3.38Å; L156-C160 PolarHBondContact O-SG 3.16Å; L156-C160 VanDerWaalsContact O-SG 3.33Å; N157-C160 WeakPolarHBondContact O-CB 3.45Å; N157-C160 PolarHBondContact O-N 3.14Å; C160-T162 VanDerWaalsContact C-N 3.33Å; C160-T162 PolarHBondContact O-N 3.11Å; C160-F163 WeakPolarHBondContact O-CB 3.26Å; C160-F163 PolarHBondContact O-N 3.18Å; C160-L164 WeakPolarHBondContact O-CG 3.42Å; C160-L164 PolarHBondContact O-N 3.29Å
161S81Confident81.6Confident58 Ų5858.1 Ų58.141%0.40633%0.329SS..Hα-helixtrans-60.6-42.8178.4-56.40000111.9N157 L164 I165N157-S161 PolarHBondContact O-N 3.43Å; N157-S161 PolarHBondContact O-OG 3.06Å; N157-S161 VanDerWaalsContact O-OG 3.11Å; S161-L164 PolarHBondContact O-N 2.91Å; S161-I165 VanDerWaalsContact O-CG1 3.32Å; S161-I165 WeakPolarHBondContact O-CG1 3.29Å; S161-I165 PolarHBondContact O-N 3.08Å; S161-I165 VanDerWaalsContact O-N 3.08Å
162T78.7Confident81Confident54 Ų5458.9 Ų58.933%0.33134%0.335SS..Hα-helixtrans-66.6-41.8178.4-49.70000111.2Y123 A158 S159 C160 L164 I165 T166Y123-T162 HydrophobicContact CD1-CG2 4.45Å; Y123-T162 HydrophobicContact CD2-CG2 4.49Å; Y123-T162 HydrophobicContact CE1-CG2 3.81Å; Y123-T162 HydrophobicContact CE2-CG2 3.86Å; Y123-T162 VanDerWaalsContact CZ-CG2 3.48Å; A158-T162 PolarHBondContact O-N 3.4Å; A158-T162 PolarHBondContact O-OG1 3.1Å; S159-T162 PolarHBondContact O-N 3.3Å; C160-T162 VanDerWaalsContact C-N 3.33Å; C160-T162 PolarHBondContact O-N 3.11Å; T162-L164 VanDerWaalsContact C-N 3.34Å; T162-L164 PolarHBondContact O-N 3.45Å; T162-I165 PolarHBondContact O-N 3.49Å; T162-T166 PolarHBondContact O-N 3.46Å; T162-T166 PolarHBondContact O-OG1 3.15Å; T162-T166 VanDerWaalsContact O-OG1 3.08Å
163F84.5Confident80.4Confident49 Ų4960.5 Ų60.522%0.21534%0.343CS..Hα-helixtrans-56.9-46.5174.7178.2-86.9000111.8L120 H124 M127 S159 C160 T166 L167L120-F163 HydrophobicContact CB-CE2 4.16Å; L120-F163 HydrophobicContact CD2-CD1 4.45Å; L120-F163 HydrophobicContact CD2-CD2 3.67Å; L120-F163 HydrophobicContact CD2-CE1 4.46Å; L120-F163 HydrophobicContact CD2-CE2 3.68Å; L120-F163 HydrophobicContact CD2-CG 4.07Å; L120-F163 HydrophobicContact CD2-CZ 4.09Å; L120-F163 VanDerWaalsContact CD2-O 3.27Å; L120-F163 WeakPolarHBondContact CD2-O 3.38Å; H124-F163 HydrophobicContact CB-CE2 4.31Å; M127-F163 HydrophobicContact CE-CB 4.15Å; M127-F163 HydrophobicContact CE-CD1 4.34Å; M127-F163 HydrophobicContact CE-CD2 3.78Å; M127-F163 HydrophobicContact CE-CE2 4.27Å; M127-F163 HydrophobicContact CE-CG 3.83Å; M127-F163 HydrophobicContact SD-CB 4.47Å; S159-F163 WeakPolarHBondContact O-CB 3.46Å; S159-F163 PolarHBondContact O-N 3.29Å; C160-F163 WeakPolarHBondContact O-CB 3.26Å; C160-F163 PolarHBondContact O-N 3.18Å; F163-T166 PolarHBondContact O-N 3.04Å; F163-L167 HydrophobicContact CE1-CD2 4.12Å; F163-L167 WeakPolarHBondContact O-CB 3.41Å; F163-L167 PolarHBondContact O-N 3.05Å
164L82.1Confident79.4Confident99 Ų9959.6 Ų59.652%0.51834%0.34SS..Hα-helixtrans-62.6-45.5178.9-70.8172.1000111.9C160 S161 T162 T166 L167 D168C160-L164 WeakPolarHBondContact O-CG 3.42Å; C160-L164 PolarHBondContact O-N 3.29Å; S161-L164 PolarHBondContact O-N 2.91Å; T162-L164 VanDerWaalsContact C-N 3.34Å; T162-L164 PolarHBondContact O-N 3.45Å; L164-T166 PolarHBondContact O-N 3.18Å; L164-L167 WeakPolarHBondContact O-CB 3.26Å; L164-L167 PolarHBondContact O-N 2.81Å; L164-L167 VanDerWaalsContact O-N 3.13Å; L164-D168 PolarHBondContact O-N 3.05Å
165I76.3Confident78.1Confident98 Ų9862.3 Ų62.350%0.50334%0.344SS..Hα-helixtrans-58.6-48.5177.4-67.6164.5000110.7S161 T162 L167 D168 E169S161-I165 VanDerWaalsContact O-CG1 3.32Å; S161-I165 WeakPolarHBondContact O-CG1 3.29Å; S161-I165 PolarHBondContact O-N 3.08Å; S161-I165 VanDerWaalsContact O-N 3.08Å; T162-I165 PolarHBondContact O-N 3.49Å; I165-L167 VanDerWaalsContact C-N 3.25Å; I165-L167 PolarHBondContact O-N 3.32Å; I165-D168 PolarHBondContact O-N 3.36Å; I165-E169 WeakPolarHBondContact O-CG 3.41Å; I165-E169 PolarHBondContact O-N 3.27Å
166T77.7Confident77Confident5 Ų562 Ų623%0.03135%0.353CS..Hα-helixtrans-65.6-30.1179.3-55.40000112.1H116 E119 L120 Y123 T162 F163 L164 L170H116-T166 HydrophobicContact CB-CG2 4.27Å; H116-T166 WeakPolarHBondContact ND1-CG2 3.29Å; E119-T166 HydrophobicContact CB-CG2 3.94Å; L120-T166 HydrophobicContact CD2-CG2 4.01Å; L120-T166 HydrophobicContact CG-CG2 3.93Å; Y123-T166 HydrophobicContact CE2-CG2 4.19Å; Y123-T166 WeakPolarHBondContact CE2-OG1 3.49Å; T162-T166 PolarHBondContact O-N 3.46Å; T162-T166 PolarHBondContact O-OG1 3.15Å; T162-T166 VanDerWaalsContact O-OG1 3.08Å; F163-T166 PolarHBondContact O-N 3.04Å; L164-T166 PolarHBondContact O-N 3.18Å; T166-L170 WeakPolarHBondContact O-CB 3.32Å; T166-L170 PolarHBondContact O-N 2.97Å
167L84.4Confident75.4Confident69 Ų6965.3 Ų65.336%0.36137%0.368SS..Hα-helixtrans-71.8-43.2176.7-178.565.1000111.2L120 F163 L164 I165 L170 M171L120-L167 HydrophobicContact CD1-CB 4.39Å; L120-L167 HydrophobicContact CD1-CD1 3.81Å; L120-L167 HydrophobicContact CD2-CB 3.92Å; F163-L167 HydrophobicContact CE1-CD2 4.12Å; F163-L167 WeakPolarHBondContact O-CB 3.41Å; F163-L167 PolarHBondContact O-N 3.05Å; L164-L167 WeakPolarHBondContact O-CB 3.26Å; L164-L167 PolarHBondContact O-N 2.81Å; L164-L167 VanDerWaalsContact O-N 3.13Å; I165-L167 VanDerWaalsContact C-N 3.25Å; I165-L167 PolarHBondContact O-N 3.32Å; L167-L170 WeakPolarHBondContact O-CB 3.35Å; L167-L170 PolarHBondContact O-N 2.83Å; L167-M171 WeakPolarHBondContact O-CB 3.18Å; L167-M171 PolarHBondContact O-N 3.25Å
168D73.7Confident73.4Confident84 Ų8461 Ų6145%0.44935%0.346SS..Hα-helixtrans-62.1-44.9175.1-75.8-21.5000110.9L164 I165 L170 M171 I172L164-D168 PolarHBondContact O-N 3.05Å; I165-D168 PolarHBondContact O-N 3.36Å; D168-L170 VanDerWaalsContact C-N 3.31Å; D168-L170 PolarHBondContact O-N 3.26Å; D168-M171 PolarHBondContact O-N 3.2Å; D168-I172 VanDerWaalsContact O-CG1 3.29Å; D168-I172 WeakPolarHBondContact O-CG1 3.42Å; D168-I172 PolarHBondContact O-N 3.36Å
169E75.8Confident71.5Confident51 Ų5163.2 Ų63.224%0.23836%0.356CS..Hα-helixtrans-57.8-43.8174-72.3172152.400111.2S56 H116 I165 I172 L173S56-E169 PolarHBondContact OG-OE1 3.48Å; H116-E169 IonicContact CE1-OE2 2.76Å; H116-E169 PolarHBondContact CE1-OE2 2.9Å; H116-E169 IonicContact ND1-OE2 3.58Å; I165-E169 WeakPolarHBondContact O-CG 3.41Å; I165-E169 PolarHBondContact O-N 3.27Å; E169-I172 PolarHBondContact O-N 3.17Å; E169-L173 WeakPolarHBondContact O-CB 3.15Å; E169-L173 VanDerWaalsContact O-CG 3.26Å; E169-L173 WeakPolarHBondContact O-CG 3.47Å; E169-L173 PolarHBondContact O-N 2.8Å
170L81.4Confident69.7Low21 Ų2171.1 Ų71.111%0.1139%0.385CS..Hα-helixtrans-64.2-41.4175.9-178.763.9000112.4I113 H116 R117 L120 T166 L167 D168 L173 S174I113-L170 HydrophobicContact CB-CD1 4.19Å; I113-L170 HydrophobicContact CG1-CD1 4.26Å; I113-L170 HydrophobicContact CG2-CD1 3.9Å; H116-L170 HydrophobicContact CB-CB 4.04Å; H116-L170 HydrophobicContact CB-CD1 3.88Å; H116-L170 HydrophobicContact CB-CG 4.43Å; R117-L170 HydrophobicContact CG-CD1 4.15Å; R117-L170 HydrophobicContact CG-CD2 3.83Å; L120-L170 HydrophobicContact CD1-CB 4.41Å; L120-L170 HydrophobicContact CD1-CD2 3.46Å; L120-L170 VanDerWaalsContact CD1-CD2 3.46Å; T166-L170 WeakPolarHBondContact O-CB 3.32Å; T166-L170 PolarHBondContact O-N 2.97Å; L167-L170 WeakPolarHBondContact O-CB 3.35Å; L167-L170 PolarHBondContact O-N 2.83Å; D168-L170 VanDerWaalsContact C-N 3.31Å; D168-L170 PolarHBondContact O-N 3.26Å; L170-L173 PolarHBondContact O-N 3.17Å; L170-S174 WeakPolarHBondContact O-CB 3.28Å; L170-S174 PolarHBondContact O-N 3.3Å; L170-S174 PolarHBondContact O-OG 2.99Å
171M73.6Confident67.4Low101 Ų10172.7 Ų72.750%0.49839%0.39SS..Hα-helixtrans-62.6-45.2179.1-175.3173.958.900110.6L167 D168 S174 N175L167-M171 WeakPolarHBondContact O-CB 3.18Å; L167-M171 PolarHBondContact O-N 3.25Å; D168-M171 PolarHBondContact O-N 3.2Å; M171-S174 PolarHBondContact O-N 3.07Å; M171-S174 PolarHBondContact O-OG 3.45Å; M171-N175 WeakPolarHBondContact O-CB 3.25Å; M171-N175 PolarHBondContact O-N 3.44Å; M171-N175 PolarHBondContact O-ND2 3.34Å
172I72.1Confident65.1Low115 Ų11573 Ų7359%0.5939%0.392SS*.Hα-helixtrans-58.4-49.1174.3-66.2164.2000110.6D168 E169 S174 N175 A176D168-I172 VanDerWaalsContact O-CG1 3.29Å; D168-I172 WeakPolarHBondContact O-CG1 3.42Å; D168-I172 PolarHBondContact O-N 3.36Å; E169-I172 PolarHBondContact O-N 3.17Å; I172-S174 VanDerWaalsContact C-N 3.31Å; I172-S174 PolarHBondContact O-N 3.46Å; I172-N175 PolarHBondContact O-N 2.96Å; I172-A176 PolarHBondContact O-N 2.92Å
173L72.2Confident63.1Low34 Ų3474.9 Ų74.918%0.17841%0.407CS..Hα-helixtrans-61.1-38.5178.9-72.6170.2000112.6Q109 L112 I113 H116 E169 L170Q109-L173 PolarHBondContact NE2-O 3.49Å; L112-L173 HydrophobicContact CB-CD1 3.88Å; L112-L173 HydrophobicContact CB-CD2 4.43Å; L112-L173 HydrophobicContact CD1-CD2 4.17Å; I113-L173 HydrophobicContact CD1-CB 4.48Å; I113-L173 HydrophobicContact CG1-CB 3.87Å; H116-L173 VanDerWaalsContact CD2-CD1 3.42Å; H116-L173 WeakPolarHBondContact CD2-CD1 3.41Å; E169-L173 WeakPolarHBondContact O-CB 3.15Å; E169-L173 VanDerWaalsContact O-CG 3.26Å; E169-L173 WeakPolarHBondContact O-CG 3.47Å; E169-L173 PolarHBondContact O-N 2.8Å; L170-L173 PolarHBondContact O-N 3.17Å
174S67Low60.9Low48 Ų4878 Ų7834%0.33643%0.425SS..Hα-helixtrans-71.8-39.3-179.972.30000113L170 M171 I172 A176 Q177L170-S174 WeakPolarHBondContact O-CB 3.28Å; L170-S174 PolarHBondContact O-N 3.3Å; L170-S174 PolarHBondContact O-OG 2.99Å; M171-S174 PolarHBondContact O-N 3.07Å; M171-S174 PolarHBondContact O-OG 3.45Å; I172-S174 VanDerWaalsContact C-N 3.31Å; I172-S174 PolarHBondContact O-N 3.46Å; S174-A176 VanDerWaalsContact C-N 3.29Å; S174-A176 PolarHBondContact O-N 3.41Å; S174-Q177 WeakPolarHBondContact O-CB 3.29Å; S174-Q177 PolarHBondContact O-N 3.36Å
175N58.5Low58.8Low99 Ų9978.1 Ų78.153%0.52943%0.429SS..Hα-helixtrans-66-33.5177.8-75.8-25.3000111.9M171 I172 Q177 A178M171-N175 WeakPolarHBondContact O-CB 3.25Å; M171-N175 PolarHBondContact O-N 3.44Å; M171-N175 PolarHBondContact O-ND2 3.34Å; I172-N175 PolarHBondContact O-N 2.96Å; N175-Q177 PolarHBondContact O-N 3.38Å; N175-A178 PolarHBondContact O-N 3.35Å
176A59Low57Low64 Ų6478.2 Ų78.253%0.52944%0.435SS..THydrogen-bonded Turntrans-66.9-19.8173.700000113.4Q109 I172 S174Q109-A176 VanDerWaalsContact NE2-CB 3.28Å; I172-A176 PolarHBondContact O-N 2.92Å; S174-A176 VanDerWaalsContact C-N 3.29Å; S174-A176 PolarHBondContact O-N 3.41Å
177Q53.9Low54.8Low104 Ų10481.1 Ų81.149%0.48647%0.466SS..THydrogen-bonded Turntrans-88.8-14.7-178.9-143.7175.722.100113.5S174 N175S174-Q177 WeakPolarHBondContact O-CB 3.29Å; S174-Q177 PolarHBondContact O-N 3.36Å; N175-Q177 PolarHBondContact O-N 3.38Å
178A43.9Very low52.3Low17 Ų1783.3 Ų83.314%0.1448%0.482CS..  trans-143.875.6-176.700000112.9N175 W180 L181N175-A178 PolarHBondContact O-N 3.35Å; A178-W180 PolarHBondContact O-N 3.14Å; A178-L181 HydrophobicContact CB-CB 4.33Å; A178-L181 HydrophobicContact CB-CD1 3.67Å; A178-L181 HydrophobicContact CB-CG 3.92Å; A178-L181 PolarHBondContact O-N 3.35Å
179P40.6Very low50.3Low101 Ų10185 Ų8566%0.65650%0.495SS*.THydrogen-bonded Turntrans-58.7-14.2178.8-22.632.5000114.9S182P179-S182 PolarHBondContact O-OG 3.26Å
180W42.5Very low47.9Very low179 Ų17990.3 Ų90.368%0.67853%0.525SS*.THydrogen-bonded Turntrans-87.4-17.8179.666.4-79.6000113.6A178A178-W180 PolarHBondContact O-N 3.14Å
181L35.6Very low45.3Very low76 Ų7697.3 Ų97.340%0.39856%0.557SS.*THydrogen-bonded Turntrans-80.2-23.7178-69.6178.8000112.9A178 S183 I184 V185A178-L181 HydrophobicContact CB-CB 4.33Å; A178-L181 HydrophobicContact CB-CD1 3.67Å; A178-L181 HydrophobicContact CB-CG 3.92Å; A178-L181 PolarHBondContact O-N 3.35Å; L181-S183 PolarHBondContact O-N 3.46Å; L181-I184 HydrophobicContact CD2-CD1 4.46Å; L181-I184 PolarHBondContact O-N 3.15Å; L181-V185 PolarHBondContact O-N 3Å
182S34.1Very low43.1Very low66 Ų6698.6 Ų98.646%0.46257%0.571SS.*Hα-helixtrans-61.3-27.5175.655.90000112.5P179 I184 T186P179-S182 PolarHBondContact O-OG 3.26Å; S182-I184 VanDerWaalsContact C-N 3.26Å; S182-I184 PolarHBondContact O-N 2.92Å; S182-T186 WeakPolarHBondContact O-CB 3.32Å; S182-T186 WeakPolarHBondContact O-CG2 3.42Å; S182-T186 PolarHBondContact O-N 2.95Å; S182-T186 VanDerWaalsContact O-N 3.14Å; S182-T186 PolarHBondContact O-OG1 3.39Å
183S37Very low40.9Very low92 Ų9299 Ų9964%0.64358%0.583SS**Hα-helixtrans-69.2-17.9173.7-176.80000114.3L181L181-S183 PolarHBondContact O-N 3.46Å
184I37.8Very low39Very low114 Ų114102.6 Ų102.659%0.58561%0.609SS**Hα-helixtrans-99-31.8-177.2-61.4175.2000110.4L181 S182L181-I184 HydrophobicContact CD2-CD1 4.46Å; L181-I184 PolarHBondContact O-N 3.15Å; S182-I184 VanDerWaalsContact C-N 3.26Å; S182-I184 PolarHBondContact O-N 2.92Å
185V36.8Very low37.4Very low102 Ų102106.6 Ų106.662%0.61863%0.631SS**Hα-helixtrans-83.3-25.1178.2-178.60000112.3L181 G187 T188L181-V185 PolarHBondContact O-N 3Å; V185-G187 PolarHBondContact O-N 3.35Å; V185-T188 PolarHBondContact O-N 2.99Å; V185-T188 PolarHBondContact O-OG1 3.44Å; V185-T188 VanDerWaalsContact O-OG1 3.07Å
186T38.5Very low35.9Very low101 Ų101108.3 Ų108.362%0.6264%0.639SS**THydrogen-bonded Turntrans-74-6.1172.143.20000113.9S182 T188S182-T186 WeakPolarHBondContact O-CB 3.32Å; S182-T186 WeakPolarHBondContact O-CG2 3.42Å; S182-T186 PolarHBondContact O-N 2.95Å; S182-T186 VanDerWaalsContact O-N 3.14Å; S182-T186 PolarHBondContact O-OG1 3.39Å; T186-T188 VanDerWaalsContact C-N 3.29Å
187G31.8Very low34.3Very low66 Ų66112.9 Ų112.968%0.6865%0.647SS**THydrogen-bonded Turntrans-80.1-5.4171.800000114.4V185V185-G187 PolarHBondContact O-N 3.35Å
188T32.9Very low33Very low114 Ų114118.1 Ų118.170%0.69966%0.663SS**  trans-119.461.6-179590000110.8V185 T186V185-T188 PolarHBondContact O-N 2.99Å; V185-T188 PolarHBondContact O-OG1 3.44Å; V185-T188 VanDerWaalsContact O-OG1 3.07Å; T186-T188 VanDerWaalsContact C-N 3.29Å
189T31Very low32.1Very low119 Ų119125 Ų12573%0.7370%0.697SS**  trans-126.2121161.449.30000108.9
190L26.5Very low31.5Very low164 Ų164126.4 Ų126.486%0.85970%0.704SS**  trans-48.7134.2172-76.8139.2000111.9
191E25.2Very low30.8Very low167 Ų167123.1 Ų123.178%0.7871%0.709SS**  trans61.2105152.8-56.3-156.4157.500120.3
192T28Very low30.5Very low129 Ų129125.7 Ų125.779%0.79173%0.731SS**  162.9102101.637.50000111.4
193S26Very low30.1Very low122 Ų122130.1 Ų130.185%0.85375%0.749SS**  trans52.4152.9141-70.50000123.9
194P33.3Very low29.9Very low110 Ų110131.8 Ų131.871%0.71476%0.756SS**  trans-125152.7-136.638.8-24000115.3
195T31.7Very low29.5Very low132 Ų132133.4 Ų133.481%0.8177%0.765SS**  trans-157.2107158.8-9.20000114.1
196I27.5Very low29.3Very low135 Ų135134 Ų13469%0.69277%0.769SS**  28.9130.1129.2-46175.3000118.2
197F26.7Very low29Very low160 Ų160136.5 Ų136.570%0.70278%0.779SS**  152.898.8129-91.6-82.5000109.9
198R25.8Very low29.1Very low215 Ų215138.8 Ų138.881%0.81178%0.782SS**  76123.599.6-93.9-171.3-1801531.6115.7
199N24.6Very low29.1Very low160 Ų160138.5 Ų138.586%0.85678%0.784SS**  trans-36.6139.2161.4-67.8-16.3000114.3
200T28.7Very low29.3Very low131 Ų131139.2 Ų139.280%0.80478%0.784SS**  trans-150.6112.2146.55.10000110.6
201S26.8Very low29.5Very low111 Ų111138.1 Ų138.178%0.77678%0.777SS**  trans-60.7139.4154.941.30000111
202C30Very low29.8Very low129 Ų129138.9 Ų138.987%0.87278%0.781SS**  trans-115.5107.1167.7-56.40000109.3
203L24.8Very low30Very low160 Ų160137.7 Ų137.784%0.83878%0.777SS**  trans-99.9138.6159.1-86.8155.2000107.4
204T34.1Very low30.5Very low127 Ų127137.1 Ų137.178%0.77977%0.771SS**  trans-172.6112.7139.843.20000108.3
205N29.4Very low30.3Very low147 Ų147139 Ų13979%0.78678%0.775SS**  69.9129.2102.4-78.2-2.9000112.9
206T32.3Very low30.4Very low114 Ų114141.5 Ų141.570%0.69978%0.779SS**  cis-169141.531.433.90000109.5
207D31.9Very low30.4Very low155 Ų155139 Ų13983%0.82977%0.774SS**  169.2140.7113.7-95.8-20.2000113.6
208P33.9Very low30.7Very low113 Ų113137.8 Ų137.873%0.73478%0.775SS**  trans-109.4148.1-17538.8-28.2000113.4
209S33.4Very low31Very low108 Ų108134.7 Ų134.776%0.75578%0.775SS**  trans177148.8143.940.60000113.4
210N34.4Very low31Very low134 Ų134135.1 Ų135.172%0.71778%0.776SS**  trans86.591.5168.1-59.1-25.8000116.8
211I30.1Very low30.8Very low142 Ų142134.3 Ų134.373%0.72877%0.774SS**  66.397.772.9-57.7166.3000111.6
212H33.4Very low31Very low183 Ų183134.2 Ų134.285%0.84777%0.774SS**  -177.8148.1106.4-132.148.5000112.2
213S30.5Very low31Very low103 Ų103133.2 Ų133.272%0.7277%0.768SS**  trans-96.1-157.3-160-48.90000113.2
214P36.7Very low31Very low111 Ų111133.7 Ų133.772%0.72177%0.771SS**  -135.2-169.5-81.840.4-21.2000114
215N30.1Very low30.8Very low148 Ų148133.7 Ų133.779%0.79177%0.77SS**  trans80.9117.7151.1-94.1-6.6000121.4
216M32.6Very low30.8Very low185 Ų185133.6 Ų133.691%0.91177%0.77SS**  -161.8118.9114.5-99.1-92.2174.500109.7
217S27.7Very low30.4Very low83 Ų83135.2 Ų135.258%0.5878%0.775SS**  trans-72.4155.2172.848.90000112
218N34.2Very low30.3Very low134 Ų134133 Ų13372%0.71777%0.771SS**  177.7132.6116.9-86.7-8.9000114
219N32.2Very low30Very low151 Ų151134.7 Ų134.781%0.80777%0.773SS**  trans91.490.3144.7-60.9-8.3000120.4
220L24.2Very low29.8Very low169 Ų169138.7 Ų138.789%0.88578%0.777SS**  trans-62151.1144.5-96.386.6000112.1
221C25Very low29.5Very low114 Ų114142.7 Ų142.777%0.7778%0.782SS**  126.7147.3120.9-140.20000117
222S30.4Very low29.5Very low109 Ų109140.5 Ų140.576%0.76277%0.772SS**  trans76.5133.3167.372.90000116.4
223S30.6Very low29.4Very low108 Ų108136.5 Ų136.576%0.75577%0.765SS**  cis-169.7148.5-443.50000108.1T225S223-T225 PolarHBondContact O-N 2.85Å
224L24.1Very low29.6Very low170 Ų170136.9 Ų136.989%0.8976%0.755SS**  trans-40.2127.8166.8-67.5140.3000112.8
225T30.4Very low29.4Very low126 Ų126133.9 Ų133.977%0.77374%0.739SS**  trans-168.2118.7140.335.60000110.2S223S223-T225 PolarHBondContact O-N 2.85Å
226N27.7Very low29.4Very low145 Ų145132 Ų13278%0.77573%0.726SS**  trans51.4116.6143.1-58.3-8.4000121.1
227D24.6Very low29.7Very low149 Ų149125 Ų12580%0.79770%0.695SS**  trans46.793.6137.2-69.5-35.5000119
228S30.5Very low30.1Very low109 Ų109122.8 Ų122.876%0.76268%0.679SS**  trans-152.456.8146.551.70000110.9F230S228-F230 PolarHBondContact O-N 3.23Å
229L27.8Very low30.3Very low148 Ų148121 Ų12178%0.77567%0.67SS**THydrogen-bonded Turntrans-60.1131.9156.5-74.8162.5000107.2
230F29.2Very low30.5Very low192 Ų192118.6 Ų118.684%0.84266%0.657SS**THydrogen-bonded Turntrans89.639.2171.8-57-80.5000120S228S228-F230 PolarHBondContact O-N 3.23Å
231R27Very low31.6Very low217 Ų217112.9 Ų112.982%0.81962%0.623SS**SBendtrans-140.395.2158.5-154.8-179.4-88.3-152.4-1.4109.3
232N29.9Very low32.5Very low96 Ų96115.7 Ų115.751%0.51362%0.618SS.*  trans144.117.6158.6-72-24.2000119H234 A235 Q236N232-H234 VanDerWaalsContact C-N 3.33Å; N232-H234 PolarHBondContact O-N 3.03Å; N232-A235 PolarHBondContact O-N 3.37Å; N232-Q236 HydrophobicContact CB-CG 4.11Å; N232-Q236 WeakPolarHBondContact O-CB 3.35Å; N232-Q236 PolarHBondContact O-N 3.33Å
233S32Very low33.2Very low100 Ų100116.7 Ų116.770%0.69961%0.61SS**Hα-helixtrans-61-31.8-176.260.70000115.3S237S233-S237 PolarHBondContact O-N 3.25Å
234H35.6Very low34Very low111 Ų111119.1 Ų119.151%0.51461%0.607SS.*Hα-helixtrans-78.4-40.4176.7-94.6-44000113.9N232 S237N232-H234 VanDerWaalsContact C-N 3.33Å; N232-H234 PolarHBondContact O-N 3.03Å; H234-S237 PolarHBondContact O-N 3.15Å; H234-S237 PolarHBondContact O-OG 3.34Å
235A31.6Very low35.3Very low47 Ų47112.1 Ų112.139%0.38857%0.571SS.*Hα-helixtrans-69.3-39.9177.800000111.7N232 S237 S238 L239N232-A235 PolarHBondContact O-N 3.37Å; A235-S237 VanDerWaalsContact C-N 3.35Å; A235-S237 PolarHBondContact O-N 3.45Å; A235-S238 PolarHBondContact O-N 3.07Å; A235-S238 PolarHBondContact O-OG 3.02Å; A235-L239 PolarHBondContact O-N 2.85Å
236Q30.3Very low36.4Very low110 Ų110109.9 Ų109.951%0.51457%0.565SS.*Hα-helixtrans-68-30.9177.5-77.7176.3-21.300113.1N232 S238 L239 N240N232-Q236 HydrophobicContact CB-CG 4.11Å; N232-Q236 WeakPolarHBondContact O-CB 3.35Å; N232-Q236 PolarHBondContact O-N 3.33Å; Q236-S238 VanDerWaalsContact C-N 3.34Å; Q236-S238 PolarHBondContact O-N 3.08Å; Q236-L239 PolarHBondContact O-N 3.41Å; Q236-N240 WeakPolarHBondContact O-CB 3.49Å; Q236-N240 PolarHBondContact O-N 3.43Å; Q236-N240 PolarHBondContact O-ND2 2.95Å
237S38.1Very low37.9Very low36 Ų36108.5 Ų108.525%0.25256%0.562SS.*Hα-helixtrans-65.8-36.4175.876.50000112.8S233 H234 A235 R241S233-S237 PolarHBondContact O-N 3.25Å; H234-S237 PolarHBondContact O-N 3.15Å; H234-S237 PolarHBondContact O-OG 3.34Å; A235-S237 VanDerWaalsContact C-N 3.35Å; A235-S237 PolarHBondContact O-N 3.45Å; S237-R241 WeakPolarHBondContact O-CB 3.21Å; S237-R241 WeakPolarHBondContact O-CG 3.34Å; S237-R241 PolarHBondContact O-N 2.92Å; S237-R241 VanDerWaalsContact O-N 3.09Å
238S35.8Very low39.6Very low37 Ų37106.9 Ų106.926%0.25955%0.545SS..Hα-helixtrans-73-37.3177.272.10000112.5A235 Q236 R242A235-S238 PolarHBondContact O-N 3.07Å; A235-S238 PolarHBondContact O-OG 3.02Å; Q236-S238 VanDerWaalsContact C-N 3.34Å; Q236-S238 PolarHBondContact O-N 3.08Å; S238-R242 PolarHBondContact O-N 2.98Å
239L38.5Very low41.2Very low98 Ų98110.2 Ų110.251%0.51355%0.546SS..Hα-helixtrans-68.6-43.4176-76.3156.6000111.2A235 Q236 R242 H243A235-L239 PolarHBondContact O-N 2.85Å; Q236-L239 PolarHBondContact O-N 3.41Å; L239-R242 PolarHBondContact O-N 2.8Å; L239-H243 PolarHBondContact O-CD2 2.85Å; L239-H243 PolarHBondContact O-N 3Å
240N37.5Very low43.1Very low100 Ų100111.4 Ų111.454%0.53554%0.541SS..Hα-helixtrans-69.3-32.2177.6-75.4-20.5000113.2Q236 H243Q236-N240 WeakPolarHBondContact O-CB 3.49Å; Q236-N240 PolarHBondContact O-N 3.43Å; Q236-N240 PolarHBondContact O-ND2 2.95Å; N240-H243 PolarHBondContact O-N 3.43Å
241R47.2Very low45.4Very low48 Ų48107.1 Ų107.118%0.18152%0.524CS..Hα-helixtrans-65.7-42.3175.2-84.1174.9-150.5-102.32.4112.4S237 H243 F244 E263 E290S237-R241 WeakPolarHBondContact O-CB 3.21Å; S237-R241 WeakPolarHBondContact O-CG 3.34Å; S237-R241 PolarHBondContact O-N 2.92Å; S237-R241 VanDerWaalsContact O-N 3.09Å; R241-H243 PolarHBondContact O-N 3.5Å; R241-F244 PolarHBondContact O-N 3.47Å; R241-E263 WeakPolarHBondContact CD-OE2 3.31Å; R241-E263 VanDerWaalsContact CG-OE2 3.31Å; R241-E263 WeakPolarHBondContact CG-OE2 3.45Å; R241-E263 IonicContact CZ-OE2 2.71Å; R241-E263 IonicContact NE-OE2 2.96Å; R241-E263 IonicContact NH1-OE2 3.66Å; R241-E263 PolarHBondContact NH1-OE2 3.03Å; R241-E290 IonicContact CZ-OE1 3.69Å; R241-E290 IonicContact NH2-OE1 3.98Å; R241-E290 PolarHBondContact NH2-OE1 2.9Å
242R43.8Very low48Very low173 Ų173100.3 Ų100.365%0.65351%0.506SS*.Hα-helixtrans-59.9-31.3175.9-72.6-176.9-172.2172.54.1112.3S238 L239 A246S238-R242 PolarHBondContact O-N 2.98Å; L239-R242 PolarHBondContact O-N 2.8Å; R242-A246 WeakPolarHBondContact O-CB 3.19Å; R242-A246 PolarHBondContact O-N 3.39Å; R242-A246 VanDerWaalsContact O-N 3.1Å
243H45.4Very low50.6Low130 Ų13098 Ų9860%0.60249%0.492SS*.Hα-helixtrans-68.5-34.2178.5-83.4-67.6000114L239 N240 R241L239-H243 PolarHBondContact O-CD2 2.85Å; L239-H243 PolarHBondContact O-N 3Å; N240-H243 PolarHBondContact O-N 3.43Å; R241-H243 PolarHBondContact O-N 3.5Å
244F47.5Very low53.1Low159 Ų15996.5 Ų96.570%0.69747%0.473SS*.Hα-helixtrans-70.6-40.3176.6-85-82.3000111.9R241 A246 T247R241-F244 PolarHBondContact O-N 3.47Å; F244-A246 PolarHBondContact O-N 2.91Å; F244-T247 PolarHBondContact O-N 3.27Å; F244-T247 PolarHBondContact O-OG1 3.42Å
245N51.2Low55.3Low23 Ų2391.3 Ų91.312%0.12345%0.449CS..Hα-helixtrans-70.5-29.1178.1-73.2-29000113.4T247 R248 S255N245-T247 PolarHBondContact O-N 2.99Å; N245-R248 PolarHBondContact O-N 3.45Å; N245-S255 WeakPolarHBondContact CB-O 3.35Å; N245-S255 VanDerWaalsContact CG-O 3.27Å; N245-S255 PolarHBondContact ND2-O 2.74Å
246A53.6Low57.8Low80 Ų8092.9 Ų92.966%0.66145%0.454SS*.THydrogen-bonded Turntrans-67.5-11.3178.300000114.7R242 F244R242-A246 WeakPolarHBondContact O-CB 3.19Å; R242-A246 PolarHBondContact O-N 3.39Å; R242-A246 VanDerWaalsContact O-N 3.1Å; F244-A246 PolarHBondContact O-N 2.91Å
247T58.4Low60.3Low115 Ų11588.4 Ų88.471%0.70643%0.434SS*.THydrogen-bonded Turntrans-89.3-11.3-178.7630000114.4F244 N245 K249F244-T247 PolarHBondContact O-N 3.27Å; F244-T247 PolarHBondContact O-OG1 3.42Å; N245-T247 PolarHBondContact O-N 2.99Å; T247-K249 PolarHBondContact O-N 3.43Å
248R61.1Low62.6Low116 Ų11692 Ų9244%0.43845%0.446SS..  trans-73.8130.6179.1-70.9-171-147.5-128.50.6110.5N245 Y250 E262N245-R248 PolarHBondContact O-N 3.45Å; R248-Y250 PolarHBondContact O-N 2.97Å; R248-E262 IonicContact CZ-OE2 2.78Å; R248-E262 IonicContact NH2-OE1 3.85Å; R248-E262 IonicContact NH2-OE2 3.76Å; R248-E262 PolarHBondContact NH2-OE2 3.32Å
249K64.4Low64.9Low178 Ų17892.1 Ų92.177%0.77444%0.441SS*.SBendtrans-57.1-32.6176.5-174.1175.5179.4177.40113.2T247T247-K249 PolarHBondContact O-N 3.43Å
250Y67.9Low67.2Low174 Ų17488.6 Ų88.668%0.68243%0.425SS*.SBendtrans-128.8126.8177.1-59.1-70000109.8R248R248-Y250 PolarHBondContact O-N 2.97Å
251Q77.2Confident69.5Low101 Ų10187.3 Ų87.347%0.47242%0.415SS..  trans-89.1117.7177.9-169.367.1-15.500109.3S255 T256Q251-S255 VanDerWaalsContact NE2-C 3.25Å; Q251-S255 PolarHBondContact NE2-O 3.34Å; Q251-S255 PolarHBondContact OE1-OG 3.26Å; Q251-T256 HydrophobicContact CG-CG2 3.4Å; Q251-T256 VanDerWaalsContact CG-CG2 3.4Å
252T80.9Confident71.2Confident74 Ų7491.8 Ų91.845%0.45444%0.438SS..  trans-102.9166.3175.268.90000109.9F254 S255 T256T252-F254 PolarHBondContact O-N 3.25Å; T252-S255 PolarHBondContact N-OG 2.68Å; T252-S255 PolarHBondContact O-N 3.49Å; T252-S255 VanDerWaalsContact O-N 3.09Å; T252-S255 PolarHBondContact O-OG 3.36Å; T252-S255 VanDerWaalsContact O-OG 3.12Å; T252-S255 PolarHBondContact OG1-N 3.05Å; T252-S255 PolarHBondContact OG1-OG 3.49Å; T252-T256 WeakPolarHBondContact O-CG2 3.48Å; T252-T256 PolarHBondContact O-N 2.99Å; T252-T256 VanDerWaalsContact O-N 3.13Å
253F84.5Confident72.6Confident48 Ų4885.3 Ų85.321%0.21142%0.415CS..THydrogen-bonded Turntrans-48.5-46172.2168-99.4000111.8S255 T256 L257 H300 F301 R304F253-S255 PolarHBondContact O-N 3.24Å; F253-T256 PolarHBondContact O-N 2.94Å; F253-T256 PolarHBondContact O-OG1 3.31Å; F253-L257 HydrophobicContact CE1-CD2 4.23Å; F253-L257 HydrophobicContact CE2-CD2 4.29Å; F253-L257 HydrophobicContact CZ-CD2 3.87Å; F253-H300 HydrophobicContact CE2-CB 3.97Å; F253-H300 HydrophobicContact CZ-CB 3.91Å; F253-F301 HydrophobicContact CE1-CB 3.94Å; F253-F301 HydrophobicContact CZ-CB 4.1Å; F253-F301 VanDerWaalsContact CZ-N 3.32Å; F253-R304 HydrophobicContact CD2-CG 3.95Å; F253-R304 HydrophobicContact CE2-CG 3.96Å
254F84.5Confident74.2Confident68 Ų6880.3 Ų80.330%0.29839%0.392SS..G310 helixtrans-68.3-32.2-178.2-60.3-70000113.5T252 T256 L257 L298 F301 I445T252-F254 PolarHBondContact O-N 3.25Å; F254-T256 VanDerWaalsContact C-N 3.3Å; F254-L257 HydrophobicContact CD1-CD1 4.29Å; F254-L257 PolarHBondContact O-N 3.16Å; F254-L298 HydrophobicContact CD1-CD1 4.39Å; F254-L298 HydrophobicContact CE1-CD1 4.01Å; F254-F301 HydrophobicContact CZ-CD2 4.42Å; F254-I445 HydrophobicContact CE1-CD1 3.68Å; F254-I445 HydrophobicContact CE2-CD1 4.22Å; F254-I445 HydrophobicContact CZ-CD1 3.35Å; F254-I445 HydrophobicContact CZ-CG1 3.96Å
255S81.4Confident75.1Confident3 Ų380.5 Ų80.52%0.02139%0.393CS..G310 helixtrans-80.9-8.7175.966.60000113.7N245 Q251 T252 F253N245-S255 WeakPolarHBondContact CB-O 3.35Å; N245-S255 VanDerWaalsContact CG-O 3.27Å; N245-S255 PolarHBondContact ND2-O 2.74Å; Q251-S255 VanDerWaalsContact NE2-C 3.25Å; Q251-S255 PolarHBondContact NE2-O 3.34Å; Q251-S255 PolarHBondContact OE1-OG 3.26Å; T252-S255 PolarHBondContact N-OG 2.68Å; T252-S255 PolarHBondContact O-N 3.49Å; T252-S255 VanDerWaalsContact O-N 3.09Å; T252-S255 PolarHBondContact O-OG 3.36Å; T252-S255 VanDerWaalsContact O-OG 3.12Å; T252-S255 PolarHBondContact OG1-N 3.05Å; T252-S255 PolarHBondContact OG1-OG 3.49Å; F253-S255 PolarHBondContact O-N 3.24Å
256T83.7Confident75.7Confident80 Ų8084.3 Ų84.349%0.49142%0.419SS..G310 helixtrans-88.1-8.6171.361.80000114Q251 T252 F253 F254 E258Q251-T256 HydrophobicContact CG-CG2 3.4Å; Q251-T256 VanDerWaalsContact CG-CG2 3.4Å; T252-T256 WeakPolarHBondContact O-CG2 3.48Å; T252-T256 PolarHBondContact O-N 2.99Å; T252-T256 VanDerWaalsContact O-N 3.13Å; F253-T256 PolarHBondContact O-N 2.94Å; F253-T256 PolarHBondContact O-OG1 3.31Å; F254-T256 VanDerWaalsContact C-N 3.3Å; T256-E258 PolarHBondContact O-N 3.44Å
257L84.3Confident75.8Confident16 Ų1681.6 Ų81.68%0.08440%0.395CS..  trans-65130.2-179.7-62.8179.9000110.2F253 F254 Y259 C297 L298F253-L257 HydrophobicContact CE1-CD2 4.23Å; F253-L257 HydrophobicContact CE2-CD2 4.29Å; F253-L257 HydrophobicContact CZ-CD2 3.87Å; F254-L257 HydrophobicContact CD1-CD1 4.29Å; F254-L257 PolarHBondContact O-N 3.16Å; L257-Y259 PolarHBondContact O-N 2.82Å; L257-C297 HydrophobicContact CB-CB 4.31Å; L257-C297 HydrophobicContact CD2-CB 4.22Å; L257-C297 WeakPolarHBondContact CD2-O 3.43Å; L257-L298 HydrophobicContact CD1-CD1 4.49Å
258E85.6Confident75.7Confident111 Ų11183.2 Ų83.252%0.51940%0.398SS..SBendtrans-63.2-34.6179.4-172.2-177.8177.500112.1T256T256-E258 PolarHBondContact O-N 3.44Å
259Y85.2Confident75.1Confident39 Ų3979.9 Ų79.915%0.15339%0.391CS..SBendtrans-127.2124.4172.3-61.8-87000108.9L257 K293 C297L257-Y259 PolarHBondContact O-N 2.82Å; Y259-K293 HydrophobicContact CD1-CB 4.01Å; Y259-K293 HydrophobicContact CD1-CD 4.07Å; Y259-K293 HydrophobicContact CD2-CB 4Å; Y259-K293 HydrophobicContact CE1-CB 4.49Å; Y259-K293 HydrophobicContact CE1-CD 3.76Å; Y259-K293 HydrophobicContact CE2-CB 4.49Å; Y259-K293 HydrophobicContact CE2-CD 4.32Å; Y259-K293 HydrophobicContact CG-CB 3.74Å; Y259-K293 HydrophobicContact CG-CD 4.47Å; Y259-C297 WeakPolarHBondContact O-CB 3.42Å
260S85.3Confident74.3Confident24 Ų2475.6 Ų75.617%0.16838%0.376CS..  trans-114.9149.4178.1177.30000110.7E262 E263S260-E262 PolarHBondContact O-N 2.9Å; S260-E262 PolarHBondContact OG-N 2.79Å; S260-E263 PolarHBondContact O-N 3.32Å; S260-E263 VanDerWaalsContact O-N 3.12Å
261F86.9Confident73.3Confident74 Ų7475 Ų7533%0.32538%0.379SS..G310 helixtrans-60.6-24.7171.7-74.5-83000112.7E263 I264 F291 A294 S295 L298 L438F261-E263 PolarHBondContact O-N 3.26Å; F261-I264 HydrophobicContact CD1-CD1 3.75Å; F261-I264 HydrophobicContact CE1-CD1 4.33Å; F261-I264 HydrophobicContact CG-CD1 4.44Å; F261-I264 PolarHBondContact O-N 3.04Å; F261-F291 AromaticContact CE1-CD2 3.82Å; F261-F291 HydrophobicContact CE1-CD2 3.82Å; F261-F291 AromaticContact CE1-CE2 3.85Å; F261-F291 HydrophobicContact CE1-CE2 3.85Å; F261-A294 HydrophobicContact CD1-CB 4.14Å; F261-A294 HydrophobicContact CD2-CB 4.07Å; F261-A294 HydrophobicContact CE1-CB 4.13Å; F261-A294 HydrophobicContact CE2-CB 4.05Å; F261-A294 HydrophobicContact CG-CB 4.12Å; F261-A294 HydrophobicContact CZ-CB 4.09Å; F261-S295 WeakPolarHBondContact CZ-OG 3.35Å; F261-L298 HydrophobicContact CD2-CD2 4.35Å; F261-L298 HydrophobicContact CE2-CB 4.2Å; F261-L298 HydrophobicContact CE2-CD2 3.66Å; F261-L438 HydrophobicContact CE1-CD1 4.05Å; F261-L438 HydrophobicContact CE1-CD2 4.43Å; F261-L438 HydrophobicContact CE2-CD2 3.86Å; F261-L438 HydrophobicContact CZ-CD1 3.91Å; F261-L438 HydrophobicContact CZ-CD2 3.58Å; F261-L438 HydrophobicContact CZ-CG 4.42Å
262E82.2Confident71.4Confident141 Ų14176.1 Ų76.166%0.65939%0.393SS*.G310 helixtrans-64.3-28.6175.6-172.4177.3-178.900112.5R248 S260R248-E262 IonicContact CZ-OE2 2.78Å; R248-E262 IonicContact NH2-OE1 3.85Å; R248-E262 IonicContact NH2-OE2 3.76Å; R248-E262 PolarHBondContact NH2-OE2 3.32Å; S260-E262 PolarHBondContact O-N 2.9Å; S260-E262 PolarHBondContact OG-N 2.79Å
263E73.3Confident69.4Low38 Ų3877.5 Ų77.518%0.17840%0.397CS..G310 helixtrans-91.3-7.4-174.4-61-179.8169.500113.7R241 S260 F261 K265R241-E263 WeakPolarHBondContact CD-OE2 3.31Å; R241-E263 VanDerWaalsContact CG-OE2 3.31Å; R241-E263 WeakPolarHBondContact CG-OE2 3.45Å; R241-E263 IonicContact CZ-OE2 2.71Å; R241-E263 IonicContact NE-OE2 2.96Å; R241-E263 IonicContact NH1-OE2 3.66Å; R241-E263 PolarHBondContact NH1-OE2 3.03Å; S260-E263 PolarHBondContact O-N 3.32Å; S260-E263 VanDerWaalsContact O-N 3.12Å; F261-E263 PolarHBondContact O-N 3.26Å; E263-K265 PolarHBondContact O-N 3.4Å
264I79.5Confident67.1Low24 Ų2480.7 Ų80.712%0.12342%0.422CS..  trans-73.6102.4-178.7-52.3175.6000108F261 L286 E290 A294F261-I264 HydrophobicContact CD1-CD1 3.75Å; F261-I264 HydrophobicContact CE1-CD1 4.33Å; F261-I264 HydrophobicContact CG-CD1 4.44Å; F261-I264 PolarHBondContact O-N 3.04Å; I264-L286 HydrophobicContact CB-CD1 4.37Å; I264-L286 HydrophobicContact CD1-CD1 4.36Å; I264-L286 HydrophobicContact CG2-CD1 3.43Å; I264-L286 VanDerWaalsContact CG2-CD1 3.43Å; I264-E290 HydrophobicContact CG1-CB 4.24Å; I264-E290 HydrophobicContact CG2-CB 4.01Å; I264-A294 HydrophobicContact CD1-CB 3.86Å; I264-A294 HydrophobicContact CG1-CB 4.48Å
265K65.5Low65Low164 Ų16483.8 Ų83.871%0.71344%0.442SS*.  trans-77.9138.7178.2-70.2-177.6179.7178.80109.3E263 S267E263-K265 PolarHBondContact O-N 3.4Å; K265-S267 PolarHBondContact O-N 2.92Å
266P64.2Low62.8Low103 Ų10391 Ų9167%0.66948%0.48SS*.  trans-50.1113.8171.2-28.135.4000110.6I268 Y285P266-I268 PolarHBondContact O-N 2.85Å; P266-Y285 CarbonylContact C-O 3.52Å; P266-Y285 WeakPolarHBondContact CA-O 3.19Å
267S56.6Low61Low23 Ų2394.9 Ų94.916%0.16150%0.498CS..PPolyproline II helixtrans-67.2127.5178.1-38.10000108.6K265 P269 Y285 S287K265-S267 PolarHBondContact O-N 2.92Å; S267-P269 WeakPolarHBondContact O-CD 3.37Å; S267-Y285 PolarHBondContact N-O 3.47Å; S267-Y285 PolarHBondContact OG-O 3.47Å; S267-S287 WeakPolarHBondContact OG-CB 3.39Å; S267-S287 PolarHBondContact OG-N 3.46Å
268I55.2Low59.7Low149 Ų149100.3 Ų100.376%0.76452%0.523SS*.PPolyproline II helixtrans-75.5118.7166.6-56.8169.3000105.8P266 I270P266-I268 PolarHBondContact O-N 2.85Å; I268-I270 WeakPolarHBondContact O-CD1 3.34Å; I268-I270 PolarHBondContact O-N 3.48Å
269P49.2Very low58.5Low46 Ų46101.8 Ų101.830%0.29953%0.533SS..PPolyproline II helixtrans-65.5123.5-177.3-18.530.6000110.8S267 Q271S267-P269 WeakPolarHBondContact O-CD 3.37Å; P269-Q271 PolarHBondContact O-N 3.3Å
270I47.9Very low57.6Low87 Ų87105.9 Ų105.945%0.44655%0.551SS.*SBendtrans-81.9106.5166.3-70.274.2000106.3I268 Q403I268-I270 WeakPolarHBondContact O-CD1 3.34Å; I268-I270 PolarHBondContact O-N 3.48Å; I270-Q403 HydrophobicContact CD1-CB 4.4Å; I270-Q403 HydrophobicContact CD1-CG 3.64Å; I270-Q403 VanDerWaalsContact CG1-CD 3.45Å; I270-Q403 HydrophobicContact CG1-CG 4.34Å
271Q46.4Very low56.9Low161 Ų161109.4 Ų109.475%0.75257%0.568SS**  trans111.499.5175.9-65.5170.8-3.700114.2P269 I273P269-Q271 PolarHBondContact O-N 3.3Å; Q271-I273 PolarHBondContact O-N 3.49Å
272T37.6Very low56.2Low126 Ų126111.2 Ų111.277%0.77359%0.587SS**  trans-59111.7146.847.20000107.7P274T272-P274 WeakPolarHBondContact O-CD 3.18Å
273I37.7Very low55.7Low102 Ų102105.6 Ų105.652%0.52357%0.567SS.*  trans-58.1121.5153-60.7171.9000104.5Q271 N275Q271-I273 PolarHBondContact O-N 3.49Å; I273-N275 HydrophobicContact CG2-CB 4.22Å; I273-N275 PolarHBondContact O-N 3.33Å
274P36.9Very low55.9Low116 Ų116104.1 Ų104.175%0.75356%0.56SS**SBendtrans-75.978.6173.531.3-29.1000106.7T272T272-P274 WeakPolarHBondContact O-CD 3.18Å
275N39.9Very low55.8Low132 Ų132107.2 Ų107.271%0.70657%0.571SS**SBendtrans-147.6121.6161.7-85.3-29.5000106.9I273I273-N275 HydrophobicContact CG2-CB 4.22Å; I273-N275 PolarHBondContact O-N 3.33Å
276N36.1Very low56.7Low155 Ų155101.8 Ų101.883%0.82955%0.55SS*.THydrogen-bonded Turntrans-53.1145-173.3-63.1-34000112.6
277D46Very low57.7Low161 Ų16197.1 Ų97.186%0.86152%0.519SS*.THydrogen-bonded Turntrans71.923.8160.4-53.7-31.4000120.4I279D277-I279 PolarHBondContact O-N 3.16Å
278E56.5Low59.3Low130 Ų13096 Ų9661%0.60751%0.511SS*.  trans-82.1111.8170.3-129.4179.1-173.400111.5K280E278-K280 PolarHBondContact O-N 3.49Å; E278-K280 VanDerWaalsContact O-N 3.13Å
279I61.4Low60.8Low142 Ų14290.9 Ų90.973%0.72849%0.485SS*.  trans-56.2115.9177.4-61.6170.5000109.2D277 L281D277-I279 PolarHBondContact O-N 3.16Å; I279-L281 PolarHBondContact O-N 3Å
280K66.1Low62.7Low125 Ų12590.9 Ų90.954%0.54348%0.481SS..  trans-65.6122.9173.7-68.9-175.9-178.5177.70109.8E278 D284 Y285E278-K280 PolarHBondContact O-N 3.49Å; E278-K280 VanDerWaalsContact O-N 3.13Å; K280-D284 WeakPolarHBondContact CA-OD2 3.45Å; K280-Y285 HydrophobicContact CB-CE2 4.14Å; K280-Y285 WeakPolarHBondContact CD-OH 3.37Å
281L69Low64.8Low99 Ų9987.2 Ų87.252%0.51846%0.462SS..  trans-95.8157.3178.9-67.2172.9000110.4I279 G283 D284I279-L281 PolarHBondContact O-N 3Å; L281-G283 PolarHBondContact O-N 3.21Å; L281-D284 PolarHBondContact N-OD2 3.22Å; L281-D284 VanDerWaalsContact O-CB 3.24Å; L281-D284 WeakPolarHBondContact O-CB 3.42Å; L281-D284 PolarHBondContact O-N 3.17Å
282P72.3Confident67Low112 Ų11279.6 Ų79.673%0.72743%0.427SS*.G310 helixtrans-51.8-34179.7-29.235.5000114.2D284 Y285P282-D284 PolarHBondContact O-N 3.12Å; P282-Y285 PolarHBondContact O-N 3.24Å
283G72.9Confident69.5Low22 Ų2276.1 Ų76.123%0.22740%0.401CS..G310 helixtrans-63.9-18.2177.100000114.5L281 Y285 L286 G407L281-G283 PolarHBondContact O-N 3.21Å; G283-Y285 PolarHBondContact O-N 3.34Å; G283-L286 PolarHBondContact O-N 3.11Å; G283-G407 PolarHBondContact O-N 2.95Å
284D77.2Confident72.1Confident7 Ų771.3 Ų71.34%0.03738%0.376CS..G310 helixtrans-72-23.2178.5-65.3-30000113.2K280 L281 P282 S405 G407 R411K280-D284 WeakPolarHBondContact CA-OD2 3.45Å; L281-D284 PolarHBondContact N-OD2 3.22Å; L281-D284 VanDerWaalsContact O-CB 3.24Å; L281-D284 WeakPolarHBondContact O-CB 3.42Å; L281-D284 PolarHBondContact O-N 3.17Å; P282-D284 PolarHBondContact O-N 3.12Å; D284-S405 WeakPolarHBondContact O-CB 3.23Å; D284-S405 PolarHBondContact O-OG 3.18Å; D284-G407 WeakPolarHBondContact OD1-CA 3.43Å; D284-R411 VanDerWaalsContact CG-NH2 3.34Å; D284-R411 IonicContact OD1-CZ 3.98Å; D284-R411 IonicContact OD1-NH1 2.93Å; D284-R411 PolarHBondContact OD1-NH1 2.83Å; D284-R411 IonicContact OD1-NH2 2.78Å; D284-R411 PolarHBondContact OD1-NH2 3.15Å; D284-R411 IonicContact OD2-CZ 3.13Å; D284-R411 IonicContact OD2-NH1 3.69Å; D284-R411 PolarHBondContact OD2-NH1 3.4Å; D284-R411 IonicContact OD2-NH2 2.72Å
285Y76.7Confident74.8Confident90 Ų9065.8 Ų65.835%0.35334%0.341SS..G310 helixtrans-97.37.7178.4-53.3-83.5000111.8P266 S267 K280 P282 G283P266-Y285 CarbonylContact C-O 3.52Å; P266-Y285 WeakPolarHBondContact CA-O 3.19Å; S267-Y285 PolarHBondContact N-O 3.47Å; S267-Y285 PolarHBondContact OG-O 3.47Å; K280-Y285 HydrophobicContact CB-CE2 4.14Å; K280-Y285 WeakPolarHBondContact CD-OH 3.37Å; P282-Y285 PolarHBondContact O-N 3.24Å; G283-Y285 PolarHBondContact O-N 3.34Å
286L85Confident77.4Confident50 Ų5062.5 Ų62.526%0.26232%0.32SS..SBendtrans-113.1107.4-175-171.858000110.6I264 G283 A288 F291 S405 L406I264-L286 HydrophobicContact CB-CD1 4.37Å; I264-L286 HydrophobicContact CD1-CD1 4.36Å; I264-L286 HydrophobicContact CG2-CD1 3.43Å; I264-L286 VanDerWaalsContact CG2-CD1 3.43Å; G283-L286 PolarHBondContact O-N 3.11Å; L286-A288 PolarHBondContact O-N 3.24Å; L286-F291 HydrophobicContact CD2-CD2 3.96Å; L286-F291 HydrophobicContact CG-CB 4.37Å; L286-S405 CarbonylContact O-C 3.49Å; L286-S405 WeakPolarHBondContact O-CA 3.39Å; L286-L406 HydrophobicContact CD2-CD1 3.59Å; L286-L406 HydrophobicContact CG-CD1 3.98Å; L286-L406 HydrophobicContact CG-CG 4.45Å; L286-L406 PolarHBondContact O-N 2.9Å
287S86.3Confident80.1Confident4 Ų455.9 Ų55.93%0.02829%0.286CS..BIsolated β-bridgetrans-58.5123.3177.2176.40000109.9S267 L289 E290 F291 A402S267-S287 WeakPolarHBondContact OG-CB 3.39Å; S267-S287 PolarHBondContact OG-N 3.46Å; S287-L289 VanDerWaalsContact C-N 3.26Å; S287-L289 PolarHBondContact O-N 2.84Å; S287-E290 PolarHBondContact O-N 2.89Å; S287-F291 WeakPolarHBondContact O-CB 3.12Å; S287-F291 PolarHBondContact O-N 2.9Å; S287-A402 PolarHBondContact OG-O 2.98Å
288A89.1Confident82.3Confident0 Ų048.8 Ų48.80%025%0.248CC..Hα-helixtrans-59.9-40.1-178.700000111.3L286 V292 I342 V346 L404 L406 L409L286-A288 PolarHBondContact O-N 3.24Å; A288-V292 VanDerWaalsContact O-CG2 3.31Å; A288-V292 WeakPolarHBondContact O-CG2 3.35Å; A288-V292 PolarHBondContact O-N 3.3Å; A288-I342 HydrophobicContact CB-CG2 4.12Å; A288-V346 HydrophobicContact CB-CG2 3.78Å; A288-L404 WeakPolarHBondContact CB-O 3.44Å; A288-L404 PolarHBondContact N-O 3.31Å; A288-L406 HydrophobicContact CB-CD2 3.75Å; A288-L406 HydrophobicContact CB-CG 4.37Å; A288-L409 HydrophobicContact CB-CD1 3.7Å
289L87.4Confident84Confident42 Ų4242.6 Ų42.622%0.2222%0.219CC..Hα-helixtrans-73.2-39.9-178.3-173.462.1000112.5S287 F291 V292 K293S287-L289 VanDerWaalsContact C-N 3.26Å; S287-L289 PolarHBondContact O-N 2.84Å; L289-F291 VanDerWaalsContact C-N 3.34Å; L289-V292 PolarHBondContact O-N 3.43Å; L289-K293 HydrophobicContact CG-CD 4.35Å; L289-K293 WeakPolarHBondContact O-CB 3.43Å; L289-K293 VanDerWaalsContact O-CG 3.27Å; L289-K293 WeakPolarHBondContact O-CG 3.12Å; L289-K293 PolarHBondContact O-N 3.37Å
290E88Confident85.3Confident46 Ų4640.2 Ų40.222%0.21520%0.204CC..Hα-helixtrans-66.1-39.8175.3-64.7-160.9121.700111.4R241 I264 S287 K293 A294R241-E290 IonicContact CZ-OE1 3.69Å; R241-E290 IonicContact NH2-OE1 3.98Å; R241-E290 PolarHBondContact NH2-OE1 2.9Å; I264-E290 HydrophobicContact CG1-CB 4.24Å; I264-E290 HydrophobicContact CG2-CB 4.01Å; S287-E290 PolarHBondContact O-N 2.89Å; E290-K293 PolarHBondContact O-N 3.28Å; E290-A294 WeakPolarHBondContact O-CB 3.13Å; E290-A294 PolarHBondContact O-N 2.57Å
291F91.9Very high86.3Confident10 Ų1034.9 Ų34.94%0.04418%0.181CC..Hα-helixtrans-59.6-45.8173.2176.3-98.1000112.3F261 L286 S287 L289 S295 I342 L406 L434 L438F261-F291 AromaticContact CE1-CD2 3.82Å; F261-F291 HydrophobicContact CE1-CD2 3.82Å; F261-F291 AromaticContact CE1-CE2 3.85Å; F261-F291 HydrophobicContact CE1-CE2 3.85Å; L286-F291 HydrophobicContact CD2-CD2 3.96Å; L286-F291 HydrophobicContact CG-CB 4.37Å; S287-F291 WeakPolarHBondContact O-CB 3.12Å; S287-F291 PolarHBondContact O-N 2.9Å; L289-F291 VanDerWaalsContact C-N 3.34Å; F291-S295 VanDerWaalsContact O-CB 3.31Å; F291-S295 WeakPolarHBondContact O-CB 3.29Å; F291-S295 PolarHBondContact O-N 2.95Å; F291-S295 PolarHBondContact O-OG 2.73Å; F291-I342 HydrophobicContact CD1-CD1 4.48Å; F291-I342 HydrophobicContact CE1-CD1 4.27Å; F291-L406 HydrophobicContact CB-CD1 4.11Å; F291-L406 HydrophobicContact CD1-CD1 3.77Å; F291-L406 HydrophobicContact CD1-CD2 4.15Å; F291-L406 HydrophobicContact CD2-CD1 4.03Å; F291-L406 HydrophobicContact CE1-CD1 4.16Å; F291-L406 HydrophobicContact CE2-CD1 4.4Å; F291-L406 HydrophobicContact CG-CD1 3.7Å; F291-L406 HydrophobicContact CZ-CD1 4.46Å; F291-L434 HydrophobicContact CE1-CD1 4.14Å; F291-L434 HydrophobicContact CZ-CB 4.42Å; F291-L438 HydrophobicContact CE2-CD1 3.63Å; F291-L438 HydrophobicContact CZ-CD1 3.75Å
292V92.6Very high87.2Confident1 Ų130.5 Ų30.51%0.00616%0.158CC..Hα-helixtrans-63.1-44.9177.71690000111.2A288 L289 S295 K296 L339 I342 E343A288-V292 VanDerWaalsContact O-CG2 3.31Å; A288-V292 WeakPolarHBondContact O-CG2 3.35Å; A288-V292 PolarHBondContact O-N 3.3Å; L289-V292 PolarHBondContact O-N 3.43Å; V292-S295 PolarHBondContact O-N 3.44Å; V292-K296 HydrophobicContact CG1-CD 4.04Å; V292-K296 HydrophobicContact CG1-CG 4.25Å; V292-K296 WeakPolarHBondContact O-CB 3.46Å; V292-K296 WeakPolarHBondContact O-CG 3.34Å; V292-K296 PolarHBondContact O-N 3.24Å; V292-L339 HydrophobicContact CB-CD2 4.36Å; V292-L339 HydrophobicContact CG1-CB 4.17Å; V292-L339 HydrophobicContact CG1-CD2 4.2Å; V292-L339 HydrophobicContact CG2-CD2 4.13Å; V292-I342 HydrophobicContact CG2-CB 3.89Å; V292-I342 HydrophobicContact CG2-CD1 4.42Å; V292-I342 HydrophobicContact CG2-CG2 3.7Å; V292-E343 HydrophobicContact CB-CG 4.45Å; V292-E343 HydrophobicContact CG1-CG 3.83Å; V292-E343 WeakPolarHBondContact CG1-OE1 3.25Å; V292-E343 HydrophobicContact CG2-CG 4.39Å
293K90.1Very high87.7Confident53 Ų5327.5 Ų27.523%0.2314%0.136CC..Hα-helixtrans-60.6-48.7178.7-73.6172.8176.4-175.60112.2Y259 L289 E290 S295 K296 C297Y259-K293 HydrophobicContact CD1-CB 4.01Å; Y259-K293 HydrophobicContact CD1-CD 4.07Å; Y259-K293 HydrophobicContact CD2-CB 4Å; Y259-K293 HydrophobicContact CE1-CB 4.49Å; Y259-K293 HydrophobicContact CE1-CD 3.76Å; Y259-K293 HydrophobicContact CE2-CB 4.49Å; Y259-K293 HydrophobicContact CE2-CD 4.32Å; Y259-K293 HydrophobicContact CG-CB 3.74Å; Y259-K293 HydrophobicContact CG-CD 4.47Å; L289-K293 HydrophobicContact CG-CD 4.35Å; L289-K293 WeakPolarHBondContact O-CB 3.43Å; L289-K293 VanDerWaalsContact O-CG 3.27Å; L289-K293 WeakPolarHBondContact O-CG 3.12Å; L289-K293 PolarHBondContact O-N 3.37Å; E290-K293 PolarHBondContact O-N 3.28Å; K293-S295 VanDerWaalsContact C-N 3.32Å; K293-S295 PolarHBondContact O-N 3.5Å; K293-K296 PolarHBondContact O-N 3.46Å; K293-C297 PolarHBondContact O-N 3.25Å
294A92.7Very high88.1Confident1 Ų133.8 Ų33.81%0.00815%0.153CC..Hα-helixtrans-61.1-42.117700000111.8F261 I264 E290 C297 L298F261-A294 HydrophobicContact CD1-CB 4.14Å; F261-A294 HydrophobicContact CD2-CB 4.07Å; F261-A294 HydrophobicContact CE1-CB 4.13Å; F261-A294 HydrophobicContact CE2-CB 4.05Å; F261-A294 HydrophobicContact CG-CB 4.12Å; F261-A294 HydrophobicContact CZ-CB 4.09Å; I264-A294 HydrophobicContact CD1-CB 3.86Å; I264-A294 HydrophobicContact CG1-CB 4.48Å; E290-A294 WeakPolarHBondContact O-CB 3.13Å; E290-A294 PolarHBondContact O-N 2.57Å; A294-C297 PolarHBondContact O-N 2.71Å; A294-L298 WeakPolarHBondContact O-CB 3.24Å; A294-L298 PolarHBondContact O-N 2.88Å
295S94Very high88.2Confident0 Ų035 Ų350%016%0.159CC..Hα-helixtrans-63.4-43.4176.5-59.50000112.3F261 F291 V292 K293 L298 L299 L339F261-S295 WeakPolarHBondContact CZ-OG 3.35Å; F291-S295 VanDerWaalsContact O-CB 3.31Å; F291-S295 WeakPolarHBondContact O-CB 3.29Å; F291-S295 PolarHBondContact O-N 2.95Å; F291-S295 PolarHBondContact O-OG 2.73Å; V292-S295 PolarHBondContact O-N 3.44Å; K293-S295 VanDerWaalsContact C-N 3.32Å; K293-S295 PolarHBondContact O-N 3.5Å; S295-L298 PolarHBondContact O-N 3.4Å; S295-L299 PolarHBondContact O-N 2.97Å; S295-L299 VanDerWaalsContact O-N 3.15Å; S295-L339 VanDerWaalsContact CB-CD2 3.46Å
296K93.5Very high88.1Confident62 Ų6231.2 Ų31.227%0.2715%0.145SC..Hα-helixtrans-61.3-43.7175.9-76.4-177.2176.31760111.7V292 K293 L298 L299 L339 E343V292-K296 HydrophobicContact CG1-CD 4.04Å; V292-K296 HydrophobicContact CG1-CG 4.25Å; V292-K296 WeakPolarHBondContact O-CB 3.46Å; V292-K296 WeakPolarHBondContact O-CG 3.34Å; V292-K296 PolarHBondContact O-N 3.24Å; K293-K296 PolarHBondContact O-N 3.46Å; K296-L298 VanDerWaalsContact C-N 3.34Å; K296-L299 WeakPolarHBondContact O-CB 3.35Å; K296-L299 PolarHBondContact O-N 3.06Å; K296-L339 HydrophobicContact CG-CD1 3.82Å; K296-E343 IonicContact NZ-OE1 3.92Å; K296-E343 PolarHBondContact NZ-OE1 3.04Å; K296-E343 IonicContact NZ-OE2 3.47Å; K296-E343 PolarHBondContact NZ-OE2 3.31Å
297C92.9Very high87.1Confident17 Ų1733.4 Ų33.412%0.11515%0.154CC..Hα-helixtrans-62.8-41.2175-74.30000111.8L257 Y259 K293 A294 L299 H300L257-C297 HydrophobicContact CB-CB 4.31Å; L257-C297 HydrophobicContact CD2-CB 4.22Å; L257-C297 WeakPolarHBondContact CD2-O 3.43Å; Y259-C297 WeakPolarHBondContact O-CB 3.42Å; K293-C297 PolarHBondContact O-N 3.25Å; A294-C297 PolarHBondContact O-N 2.71Å; C297-L299 PolarHBondContact O-N 2.72Å; C297-H300 WeakPolarHBondContact O-CB 3.15Å; C297-H300 PolarHBondContact O-CD2 3.11Å; C297-H300 PolarHBondContact O-N 2.78Å
298L93Very high85.7Confident12 Ų1236.3 Ų36.36%0.06317%0.171CC..Hα-helixtrans-64-26.1178.4-175.461.8000112.7F254 L257 F261 A294 S295 K296 H300 F301 W437 L438 V441F254-L298 HydrophobicContact CD1-CD1 4.39Å; F254-L298 HydrophobicContact CE1-CD1 4.01Å; L257-L298 HydrophobicContact CD1-CD1 4.49Å; F261-L298 HydrophobicContact CD2-CD2 4.35Å; F261-L298 HydrophobicContact CE2-CB 4.2Å; F261-L298 HydrophobicContact CE2-CD2 3.66Å; A294-L298 WeakPolarHBondContact O-CB 3.24Å; A294-L298 PolarHBondContact O-N 2.88Å; S295-L298 PolarHBondContact O-N 3.4Å; K296-L298 VanDerWaalsContact C-N 3.34Å; L298-H300 PolarHBondContact O-N 2.79Å; L298-H300 VanDerWaalsContact O-N 3.1Å; L298-F301 HydrophobicContact CD1-CB 4.39Å; L298-F301 WeakPolarHBondContact O-CB 3.44Å; L298-F301 PolarHBondContact O-N 2.96Å; L298-W437 HydrophobicContact CB-CH2 4.06Å; L298-W437 HydrophobicContact CD2-CH2 3.82Å; L298-W437 HydrophobicContact CD2-CZ2 4.41Å; L298-W437 HydrophobicContact CD2-CZ3 4.29Å; L298-W437 HydrophobicContact CG-CH2 3.87Å; L298-W437 HydrophobicContact CG-CZ2 4.32Å; L298-L438 HydrophobicContact CD2-CD2 3.6Å; L298-V441 HydrophobicContact CD1-CG1 4.31Å; L298-V441 HydrophobicContact CD2-CG1 4.09Å
299L92.6Very high84Confident0 Ų038.8 Ų38.80%019%0.185CC..THydrogen-bonded Turntrans-58.9-22.9176.3-70174000113.9S295 K296 C297 F301 L302 L335 L336 L339 W437S295-L299 PolarHBondContact O-N 2.97Å; S295-L299 VanDerWaalsContact O-N 3.15Å; K296-L299 WeakPolarHBondContact O-CB 3.35Å; K296-L299 PolarHBondContact O-N 3.06Å; C297-L299 PolarHBondContact O-N 2.72Å; L299-F301 PolarHBondContact O-N 3.02Å; L299-F301 VanDerWaalsContact O-N 3.1Å; L299-L302 HydrophobicContact CD2-CD1 4.06Å; L299-L302 WeakPolarHBondContact O-CB 3.31Å; L299-L302 PolarHBondContact O-N 3.05Å; L299-L335 HydrophobicContact CD2-CB 3.84Å; L299-L335 HydrophobicContact CD2-CD1 3.53Å; L299-L335 HydrophobicContact CD2-CG 4.34Å; L299-L336 HydrophobicContact CD1-CD2 3.54Å; L299-L336 HydrophobicContact CD1-CG 3.8Å; L299-L339 HydrophobicContact CD1-CD1 3.97Å; L299-W437 HydrophobicContact CD2-CH2 3.83Å; L299-W437 HydrophobicContact CD2-CZ2 3.71Å; L299-W437 HydrophobicContact CG-CH2 4.28Å
300H89Confident82.2Confident91 Ų9141.2 Ų41.242%0.42120%0.195SC..Hα-helixtrans-61.4-16.1172.5-72.6-62.1000113.6F253 C297 L298 L302 D303 R304F253-H300 HydrophobicContact CE2-CB 3.97Å; F253-H300 HydrophobicContact CZ-CB 3.91Å; C297-H300 WeakPolarHBondContact O-CB 3.15Å; C297-H300 PolarHBondContact O-CD2 3.11Å; C297-H300 PolarHBondContact O-N 2.78Å; L298-H300 PolarHBondContact O-N 2.79Å; L298-H300 VanDerWaalsContact O-N 3.1Å; H300-L302 VanDerWaalsContact C-N 3.25Å; H300-L302 PolarHBondContact O-N 3.47Å; H300-D303 IonicContact CG-OD2 3.09Å; H300-D303 IonicContact ND1-OD2 3.72Å; H300-D303 PolarHBondContact ND1-OD2 3.25Å; H300-D303 VanDerWaalsContact ND1-OD2 3.07Å; H300-D303 WeakPolarHBondContact O-CB 3.4Å; H300-D303 PolarHBondContact O-N 2.76Å; H300-R304 PolarHBondContact O-N 3.32Å
301F86.5Confident80.5Confident13 Ų1346.7 Ų46.76%0.05722%0.22CC..Hα-helixtrans-59.2-37.2170.3170.6-107.4000111.9F253 F254 L298 L299 D303 R304 L305 F444F253-F301 HydrophobicContact CE1-CB 3.94Å; F253-F301 HydrophobicContact CZ-CB 4.1Å; F253-F301 VanDerWaalsContact CZ-N 3.32Å; F254-F301 HydrophobicContact CZ-CD2 4.42Å; L298-F301 HydrophobicContact CD1-CB 4.39Å; L298-F301 WeakPolarHBondContact O-CB 3.44Å; L298-F301 PolarHBondContact O-N 2.96Å; L299-F301 PolarHBondContact O-N 3.02Å; L299-F301 VanDerWaalsContact O-N 3.1Å; F301-D303 VanDerWaalsContact C-N 3.3Å; F301-D303 PolarHBondContact O-N 2.94Å; F301-R304 WeakPolarHBondContact O-CB 3.31Å; F301-R304 PolarHBondContact O-N 2.82Å; F301-L305 HydrophobicContact CD1-CD1 4.22Å; F301-L305 HydrophobicContact CE1-CD1 3.53Å; F301-L305 HydrophobicContact CE1-CG 4.09Å; F301-L305 HydrophobicContact CE2-CD2 4.27Å; F301-L305 HydrophobicContact CE2-CG 4.29Å; F301-L305 HydrophobicContact CZ-CD1 3.71Å; F301-L305 HydrophobicContact CZ-CD2 3.95Å; F301-L305 HydrophobicContact CZ-CG 3.9Å; F301-L305 PolarHBondContact O-N 3.49Å; F301-L305 VanDerWaalsContact O-N 3.11Å; F301-F444 HydrophobicContact CE1-CD1 4.41Å; F301-F444 HydrophobicContact CE2-CD1 4.23Å; F301-F444 HydrophobicContact CE2-CE1 4.04Å; F301-F444 AromaticContact CZ-CD1 3.49Å; F301-F444 HydrophobicContact CZ-CD1 3.49Å; F301-F444 VanDerWaalsContact CZ-CD1 3.49Å; F301-F444 AromaticContact CZ-CE1 3.49Å; F301-F444 HydrophobicContact CZ-CE1 3.49Å; F301-F444 VanDerWaalsContact CZ-CE1 3.49Å; F301-F444 HydrophobicContact CZ-CG 4.41Å; F301-F444 HydrophobicContact CZ-CZ 4.39Å
302L86.5Confident78.5Confident8 Ų849.9 Ų49.94%0.04224%0.238CC..Hα-helixtrans-65.8-35.6178.1-58.7178.2000111.6L299 H300 R304 L305 N306 L328 V331 R332 L335L299-L302 HydrophobicContact CD2-CD1 4.06Å; L299-L302 WeakPolarHBondContact O-CB 3.31Å; L299-L302 PolarHBondContact O-N 3.05Å; H300-L302 VanDerWaalsContact C-N 3.25Å; H300-L302 PolarHBondContact O-N 3.47Å; L302-R304 VanDerWaalsContact C-N 3.28Å; L302-R304 PolarHBondContact O-N 2.96Å; L302-L305 HydrophobicContact CD2-CD1 4.47Å; L302-L305 PolarHBondContact O-N 3.49Å; L302-N306 PolarHBondContact O-N 2.63Å; L302-N306 VanDerWaalsContact O-N 3.16Å; L302-L328 HydrophobicContact CD2-CD2 4.24Å; L302-V331 HydrophobicContact CD1-CG1 4.33Å; L302-R332 HydrophobicContact CD1-CB 3.98Å; L302-L335 HydrophobicContact CD1-CD1 4.38Å
303D82.9Confident76.3Confident48 Ų4851.5 Ų51.526%0.25725%0.249SC..Hα-helixtrans-64.2-37.3176.4-53.7-31.4000110.3H300 F301 N306 H307 R332H300-D303 IonicContact CG-OD2 3.09Å; H300-D303 IonicContact ND1-OD2 3.72Å; H300-D303 PolarHBondContact ND1-OD2 3.25Å; H300-D303 VanDerWaalsContact ND1-OD2 3.07Å; H300-D303 WeakPolarHBondContact O-CB 3.4Å; H300-D303 PolarHBondContact O-N 2.76Å; F301-D303 VanDerWaalsContact C-N 3.3Å; F301-D303 PolarHBondContact O-N 2.94Å; D303-N306 PolarHBondContact O-N 3.27Å; D303-H307 PolarHBondContact O-N 2.98Å; D303-H307 VanDerWaalsContact O-N 3.16Å; D303-R332 IonicContact OD1-NH1 3.16Å; D303-R332 PolarHBondContact OD1-NH1 2.95Å; D303-R332 VanDerWaalsContact OD1-NH1 3.16Å; D303-R332 IonicContact OD2-NH1 3.18Å; D303-R332 PolarHBondContact OD2-NH1 2.97Å
304R81.9Confident74.3Confident154 Ų15454.5 Ų54.558%0.58127%0.272SS*.Hα-helixtrans-67.9-41.2176.1-68.5-68.7179.9168.6-2.2112.9F253 H300 F301 L302 N306 H307 T308F253-R304 HydrophobicContact CD2-CG 3.95Å; F253-R304 HydrophobicContact CE2-CG 3.96Å; H300-R304 PolarHBondContact O-N 3.32Å; F301-R304 WeakPolarHBondContact O-CB 3.31Å; F301-R304 PolarHBondContact O-N 2.82Å; L302-R304 VanDerWaalsContact C-N 3.28Å; L302-R304 PolarHBondContact O-N 2.96Å; R304-N306 PolarHBondContact O-N 3.33Å; R304-H307 PolarHBondContact O-N 3.38Å; R304-T308 PolarHBondContact O-N 3.43Å; R304-T308 PolarHBondContact O-OG1 2.89Å; R304-T308 VanDerWaalsContact O-OG1 3.12Å
305L79.7Confident72.3Confident34 Ų3461.5 Ų61.518%0.17831%0.308CS..Hα-helixtrans-60.6-37174.6-69.4179.7000111.9F301 L302 L328 F444F301-L305 HydrophobicContact CD1-CD1 4.22Å; F301-L305 HydrophobicContact CE1-CD1 3.53Å; F301-L305 HydrophobicContact CE1-CG 4.09Å; F301-L305 HydrophobicContact CE2-CD2 4.27Å; F301-L305 HydrophobicContact CE2-CG 4.29Å; F301-L305 HydrophobicContact CZ-CD1 3.71Å; F301-L305 HydrophobicContact CZ-CD2 3.95Å; F301-L305 HydrophobicContact CZ-CG 3.9Å; F301-L305 PolarHBondContact O-N 3.49Å; F301-L305 VanDerWaalsContact O-N 3.11Å; L302-L305 HydrophobicContact CD2-CD1 4.47Å; L302-L305 PolarHBondContact O-N 3.49Å; L305-L328 HydrophobicContact CB-CD1 4.38Å; L305-F444 HydrophobicContact CD2-CE1 4.1Å; L305-F444 HydrophobicContact CD2-CZ 3.82Å
306N73.8Confident70.3Confident9 Ų968 Ų685%0.04834%0.343CS..Hα-helixtrans-71.3-36.1178.7-174.960.5000113.3L302 D303 R304 T308 N309 Q310 Y325 L328L302-N306 PolarHBondContact O-N 2.63Å; L302-N306 VanDerWaalsContact O-N 3.16Å; D303-N306 PolarHBondContact O-N 3.27Å; R304-N306 PolarHBondContact O-N 3.33Å; N306-T308 VanDerWaalsContact C-N 3.33Å; N306-T308 PolarHBondContact O-N 2.98Å; N306-N309 PolarHBondContact O-N 3.5Å; N306-Q310 PolarHBondContact O-N 3.32Å; N306-Y325 WeakPolarHBondContact ND2-CD2 3.45Å; N306-L328 HydrophobicContact CB-CD1 3.95Å
307H64.1Low68.4Low97 Ų9769.3 Ų69.345%0.44935%0.353SS..Hα-helixtrans-67.4-31.7178.1-75-20.6000113.4D303 R304 N309 Q310 H311D303-H307 PolarHBondContact O-N 2.98Å; D303-H307 VanDerWaalsContact O-N 3.16Å; R304-H307 PolarHBondContact O-N 3.38Å; H307-N309 PolarHBondContact O-N 3.29Å; H307-Q310 PolarHBondContact ND1-OE1 3.36Å; H307-Q310 PolarHBondContact O-N 3.4Å; H307-Q310 VanDerWaalsContact O-N 3.09Å; H307-H311 PolarHBondContact O-N 3.04Å
308T56.7Low66.8Low64 Ų6473.6 Ų73.639%0.39338%0.381SS..Hα-helixtrans-58.2-37.1173.8-39.50000111.1R304 N306R304-T308 PolarHBondContact O-N 3.43Å; R304-T308 PolarHBondContact O-OG1 2.89Å; R304-T308 VanDerWaalsContact O-OG1 3.12Å; N306-T308 VanDerWaalsContact C-N 3.33Å; N306-T308 PolarHBondContact O-N 2.98Å
309N53.4Low65.2Low52 Ų5276 Ų7628%0.27840%0.399SS..Hα-helixtrans-72.6-27.3177.3-77-32.5000113.9N306 H307 C313 T324N306-N309 PolarHBondContact O-N 3.5Å; H307-N309 PolarHBondContact O-N 3.29Å; N309-C313 VanDerWaalsContact O-CB 3.23Å; N309-C313 WeakPolarHBondContact O-CB 3.44Å; N309-C313 PolarHBondContact O-N 3.16Å; N309-C313 PolarHBondContact O-SG 2.65Å; N309-T324 WeakPolarHBondContact ND2-CG2 3.43Å
310Q50.3Low63.6Low93 Ų9379.3 Ų79.344%0.43542%0.419SS..Hα-helixtrans-73.3-33.5179.3-73.9178.9-1800112.5N306 H307 T321N306-Q310 PolarHBondContact O-N 3.32Å; H307-Q310 PolarHBondContact ND1-OE1 3.36Å; H307-Q310 PolarHBondContact O-N 3.4Å; H307-Q310 VanDerWaalsContact O-N 3.09Å; Q310-T321 HydrophobicContact CG-CG2 4.1Å
311H52.6Low62.2Low161 Ų16176 Ų7675%0.74541%0.405SS*.Hα-helixtrans-73.2-30.3178.5-97.7-74.8000113.6H307H307-H311 PolarHBondContact O-N 3.04Å
312N49.1Very low61.3Low78 Ų7878.4 Ų78.442%0.41742%0.423SS..Hα-helixtrans-90.3-21.1-178.6-68.1-3.6000113.5D466N312-D466 PolarHBondContact ND2-OD1 3.5Å; N312-D466 PolarHBondContact ND2-OD2 2.93Å
313C46.1Very low60.6Low35 Ų3586.1 Ų86.124%0.23645%0.452CS..Hα-helixtrans-95.6-2.4-172.5-66.30000115.5N309 L315 N316 T321N309-C313 VanDerWaalsContact O-CB 3.23Å; N309-C313 WeakPolarHBondContact O-CB 3.44Å; N309-C313 PolarHBondContact O-N 3.16Å; N309-C313 PolarHBondContact O-SG 2.65Å; C313-L315 PolarHBondContact O-N 3.3Å; C313-N316 PolarHBondContact O-N 3.36Å; C313-T321 WeakPolarHBondContact CB-OG1 3.31Å; C313-T321 PolarHBondContact SG-OG1 2.84Å; C313-T321 VanDerWaalsContact SG-OG1 3.35Å
314T48.2Very low60.1Low116 Ų11684.2 Ų84.271%0.71244%0.442SS*.THydrogen-bonded Turntrans-63.8-9.8178.140.60000114
315L50.7Low59.9Low148 Ų14881.9 Ų81.978%0.77543%0.434SS*.THydrogen-bonded Turntrans-106.7-27175.4-9777.6000115.8C313C313-L315 PolarHBondContact O-N 3.3Å
316N52.1Low59.9Low137 Ų13784.2 Ų84.273%0.73345%0.446SS*.THydrogen-bonded Turntrans-133.2-17.2-157.8-69.8-28.4000119C313C313-N316 PolarHBondContact O-N 3.36Å
317N53.8Low60.1Low88 Ų8884 Ų8447%0.47145%0.445SS..  trans-170.293.9173-120.1-26000115S319 T320N317-S319 VanDerWaalsContact C-N 3.27Å; N317-S319 PolarHBondContact O-N 2.71Å; N317-T320 PolarHBondContact O-N 3.14Å
318P59.6Low61.1Low108 Ų10880 Ų8070%0.70143%0.427SS*.Hα-helixtrans-66.1-24.6-179.323.8-31.5000114T320 S322P318-T320 PolarHBondContact O-N 3.19Å; P318-S322 PolarHBondContact O-N 2.93Å
319S60.2Low62.5Low63 Ų6380 Ų8044%0.44142%0.422SS..Hα-helixtrans-68.8-33.2-179.155.40000113.5N317 R323N317-S319 VanDerWaalsContact C-N 3.27Å; N317-S319 PolarHBondContact O-N 2.71Å; S319-R323 PolarHBondContact O-N 3.21Å
320T58.6Low63.9Low69 Ų6982.3 Ų82.342%0.42343%0.432SS..Hα-helixtrans-74.8-43.6-176.8-51.50000110.7N317 P318 S322 R323 T324N317-T320 PolarHBondContact O-N 3.14Å; P318-T320 PolarHBondContact O-N 3.19Å; T320-S322 PolarHBondContact O-N 3.04Å; T320-R323 PolarHBondContact O-N 2.97Å; T320-T324 PolarHBondContact O-N 3.45Å; T320-T324 VanDerWaalsContact O-N 3.09Å; T320-T324 PolarHBondContact O-OG1 2.87Å
321T59.6Low65.8Low21 Ų2180.4 Ų80.413%0.12943%0.426CS..Hα-helixtrans-56.4-39.5175.1-45.20000111.9Q310 C313 Y325Q310-T321 HydrophobicContact CG-CG2 4.1Å; C313-T321 WeakPolarHBondContact CB-OG1 3.31Å; C313-T321 PolarHBondContact SG-OG1 2.84Å; C313-T321 VanDerWaalsContact SG-OG1 3.35Å; T321-Y325 WeakPolarHBondContact O-CB 3.43Å; T321-Y325 PolarHBondContact O-N 2.96Å; T321-Y325 VanDerWaalsContact O-N 3.07Å
322S67.9Low67.6Low64 Ų6475.4 Ų75.445%0.44840%0.401SS..Hα-helixtrans-63.9-40.7176.9-173.70000112.3P318 T320 I326P318-S322 PolarHBondContact O-N 2.93Å; T320-S322 PolarHBondContact O-N 3.04Å; S322-I326 WeakPolarHBondContact O-CB 3.31Å; S322-I326 WeakPolarHBondContact O-CD1 3.33Å; S322-I326 WeakPolarHBondContact O-CG1 3.36Å; S322-I326 PolarHBondContact O-N 2.99Å
323R71.5Confident69.5Low169 Ų16977.1 Ų77.164%0.63841%0.406SS*.Hα-helixtrans-68.2-46.7179.5-70.6179.7-1771792.1112.6S319 T320 Y325 I326 A327S319-R323 PolarHBondContact O-N 3.21Å; T320-R323 PolarHBondContact O-N 2.97Å; R323-Y325 VanDerWaalsContact C-N 3.32Å; R323-Y325 PolarHBondContact O-N 3.46Å; R323-I326 PolarHBondContact O-N 3.3Å; R323-A327 WeakPolarHBondContact O-CB 3.43Å; R323-A327 PolarHBondContact O-N 3.34Å
324T72.8Confident71.6Confident8 Ų882.4 Ų82.45%0.04942%0.421CS..Hα-helixtrans-61.2-43.4177.4-54.30000111N309 T320 I326 A327 L328 I496N309-T324 WeakPolarHBondContact ND2-CG2 3.43Å; T320-T324 PolarHBondContact O-N 3.45Å; T320-T324 VanDerWaalsContact O-N 3.09Å; T320-T324 PolarHBondContact O-OG1 2.87Å; T324-I326 PolarHBondContact O-N 3.47Å; T324-A327 PolarHBondContact O-N 3.22Å; T324-L328 HydrophobicContact CG2-CD1 4.03Å; T324-L328 HydrophobicContact CG2-CG 4.39Å; T324-L328 WeakPolarHBondContact O-CB 3.27Å; T324-L328 WeakPolarHBondContact O-CG 3.32Å; T324-L328 PolarHBondContact O-N 2.75Å; T324-I496 HydrophobicContact CG2-CG2 4.11Å; T324-I496 WeakPolarHBondContact CG2-O 3.5Å
325Y77.7Confident73.8Confident106 Ų10677.4 Ų77.442%0.41639%0.39SS..Hα-helixtrans-57.3-51.3174.2176.2-107.5000112N306 T321 R323 A327 L328 Q329N306-Y325 WeakPolarHBondContact ND2-CD2 3.45Å; T321-Y325 WeakPolarHBondContact O-CB 3.43Å; T321-Y325 PolarHBondContact O-N 2.96Å; T321-Y325 VanDerWaalsContact O-N 3.07Å; R323-Y325 VanDerWaalsContact C-N 3.32Å; R323-Y325 PolarHBondContact O-N 3.46Å; Y325-A327 VanDerWaalsContact C-N 3.29Å; Y325-A327 PolarHBondContact O-N 2.83Å; Y325-L328 PolarHBondContact O-N 3.37Å; Y325-Q329 HydrophobicContact CD1-CG 4.35Å; Y325-Q329 HydrophobicContact CD2-CG 4.12Å; Y325-Q329 HydrophobicContact CE1-CG 4Å; Y325-Q329 HydrophobicContact CE2-CG 3.82Å; Y325-Q329 HydrophobicContact CG-CG 4.43Å; Y325-Q329 VanDerWaalsContact CZ-NE2 3.34Å; Y325-Q329 WeakPolarHBondContact O-CB 3.27Å; Y325-Q329 VanDerWaalsContact O-CG 3.25Å; Y325-Q329 WeakPolarHBondContact O-CG 3.42Å; Y325-Q329 PolarHBondContact O-N 2.88Å; Y325-Q329 PolarHBondContact OH-NE2 2.95Å
326I78.3Confident75.9Confident82 Ų8272.4 Ų72.442%0.42136%0.364SS..Hα-helixtrans-58.2-44.5179.8-70.5163.7000110.6S322 R323 T324 Q329 Q330S322-I326 WeakPolarHBondContact O-CB 3.31Å; S322-I326 WeakPolarHBondContact O-CD1 3.33Å; S322-I326 WeakPolarHBondContact O-CG1 3.36Å; S322-I326 PolarHBondContact O-N 2.99Å; R323-I326 PolarHBondContact O-N 3.3Å; T324-I326 PolarHBondContact O-N 3.47Å; I326-Q329 PolarHBondContact O-N 2.81Å; I326-Q330 WeakPolarHBondContact O-CG 3.37Å; I326-Q330 PolarHBondContact O-N 3.1Å
327A79.7Confident77.8Confident5 Ų568.6 Ų68.64%0.04134%0.343CS..Hα-helixtrans-68.6-41.3-178.400000112.4R323 T324 Y325 Q329 Q330 V331 I496R323-A327 WeakPolarHBondContact O-CB 3.43Å; R323-A327 PolarHBondContact O-N 3.34Å; T324-A327 PolarHBondContact O-N 3.22Å; Y325-A327 VanDerWaalsContact C-N 3.29Å; Y325-A327 PolarHBondContact O-N 2.83Å; A327-Q329 VanDerWaalsContact C-N 3.31Å; A327-Q329 PolarHBondContact O-N 3.05Å; A327-Q330 WeakPolarHBondContact O-CB 3.42Å; A327-Q330 PolarHBondContact O-N 3.48Å; A327-V331 WeakPolarHBondContact O-CG2 3.29Å; A327-V331 PolarHBondContact O-N 3.07Å; A327-I496 HydrophobicContact CB-CD1 3.73Å; A327-I496 HydrophobicContact CB-CG1 3.4Å; A327-I496 VanDerWaalsContact CB-CG1 3.4Å
328L84.3Confident79.7Confident13 Ų1366.4 Ų66.47%0.06833%0.329CS..Hα-helixtrans-62.9-37.3172.4-73.1173.7000112.1L302 L305 N306 T324 Y325 V331 R332 I496L302-L328 HydrophobicContact CD2-CD2 4.24Å; L305-L328 HydrophobicContact CB-CD1 4.38Å; N306-L328 HydrophobicContact CB-CD1 3.95Å; T324-L328 HydrophobicContact CG2-CD1 4.03Å; T324-L328 HydrophobicContact CG2-CG 4.39Å; T324-L328 WeakPolarHBondContact O-CB 3.27Å; T324-L328 WeakPolarHBondContact O-CG 3.32Å; T324-L328 PolarHBondContact O-N 2.75Å; Y325-L328 PolarHBondContact O-N 3.37Å; L328-V331 PolarHBondContact O-N 3.11Å; L328-R332 WeakPolarHBondContact O-CB 3.38Å; L328-R332 PolarHBondContact O-N 3.25Å; L328-I496 HydrophobicContact CD2-CG2 3.7Å; L328-I496 HydrophobicContact CG-CG2 3.97Å
329Q85Confident81.4Confident63 Ų6361.3 Ų61.329%0.29430%0.296SS..Hα-helixtrans-69.3-34.6175.4-66.7-65.931.200112.9Y325 I326 A327 R332 H333Y325-Q329 HydrophobicContact CD1-CG 4.35Å; Y325-Q329 HydrophobicContact CD2-CG 4.12Å; Y325-Q329 HydrophobicContact CE1-CG 4Å; Y325-Q329 HydrophobicContact CE2-CG 3.82Å; Y325-Q329 HydrophobicContact CG-CG 4.43Å; Y325-Q329 VanDerWaalsContact CZ-NE2 3.34Å; Y325-Q329 WeakPolarHBondContact O-CB 3.27Å; Y325-Q329 VanDerWaalsContact O-CG 3.25Å; Y325-Q329 WeakPolarHBondContact O-CG 3.42Å; Y325-Q329 PolarHBondContact O-N 2.88Å; Y325-Q329 PolarHBondContact OH-NE2 2.95Å; I326-Q329 PolarHBondContact O-N 2.81Å; A327-Q329 VanDerWaalsContact C-N 3.31Å; A327-Q329 PolarHBondContact O-N 3.05Å; Q329-R332 PolarHBondContact O-N 2.77Å; Q329-R332 VanDerWaalsContact OE1-CD 3.23Å; Q329-H333 WeakPolarHBondContact O-CB 3.27Å; Q329-H333 PolarHBondContact O-N 3.33Å
330Q84.7Confident82.9Confident101 Ų10161.8 Ų61.847%0.47229%0.293SS..Hα-helixtrans-63-43.6171.3-73.7174.7-9.800111.4I326 A327 H333 R334I326-Q330 WeakPolarHBondContact O-CG 3.37Å; I326-Q330 PolarHBondContact O-N 3.1Å; A327-Q330 WeakPolarHBondContact O-CB 3.42Å; A327-Q330 PolarHBondContact O-N 3.48Å; Q330-H333 PolarHBondContact O-N 2.83Å; Q330-R334 WeakPolarHBondContact O-CG 3.36Å; Q330-R334 PolarHBondContact O-N 2.88Å
331V88.6Confident84.5Confident54 Ų5459 Ų5933%0.32728%0.276SS..Hα-helixtrans-60.7-47.8174.4173.10000110.4L302 A327 L328 H333 R334 L335 I496L302-V331 HydrophobicContact CD1-CG1 4.33Å; A327-V331 WeakPolarHBondContact O-CG2 3.29Å; A327-V331 PolarHBondContact O-N 3.07Å; L328-V331 PolarHBondContact O-N 3.11Å; V331-H333 PolarHBondContact O-N 3.14Å; V331-R334 PolarHBondContact O-N 3.22Å; V331-L335 HydrophobicContact CG1-CD1 3.75Å; V331-L335 HydrophobicContact CG1-CG 4.4Å; V331-L335 VanDerWaalsContact O-CG 3.29Å; V331-L335 WeakPolarHBondContact O-CG 3.41Å; V331-L335 PolarHBondContact O-N 3.44Å; V331-I496 HydrophobicContact CG2-CD1 4.27Å
332R91.7Very high86Confident56 Ų5658 Ų5821%0.21127%0.27CS..Hα-helixtrans-56-48.5176.7-176.3-172.5175.71007.4111.7L302 D303 L328 Q329 L335 L336L302-R332 HydrophobicContact CD1-CB 3.98Å; D303-R332 IonicContact OD1-NH1 3.16Å; D303-R332 PolarHBondContact OD1-NH1 2.95Å; D303-R332 VanDerWaalsContact OD1-NH1 3.16Å; D303-R332 IonicContact OD2-NH1 3.18Å; D303-R332 PolarHBondContact OD2-NH1 2.97Å; L328-R332 WeakPolarHBondContact O-CB 3.38Å; L328-R332 PolarHBondContact O-N 3.25Å; Q329-R332 PolarHBondContact O-N 2.77Å; Q329-R332 VanDerWaalsContact OE1-CD 3.23Å; R332-L335 PolarHBondContact O-N 3.4Å; R332-L336 HydrophobicContact CG-CD1 4.1Å; R332-L336 WeakPolarHBondContact O-CG 3.46Å; R332-L336 PolarHBondContact O-N 3.11Å
333H89.5Confident87.1Confident114 Ų11457.3 Ų57.353%0.52826%0.26SS..Hα-helixtrans-60.4-47.1-179.3-177.154.2000111.5Q329 Q330 V331 L335 L336 D337Q329-H333 WeakPolarHBondContact O-CB 3.27Å; Q329-H333 PolarHBondContact O-N 3.33Å; Q330-H333 PolarHBondContact O-N 2.83Å; V331-H333 PolarHBondContact O-N 3.14Å; H333-L335 VanDerWaalsContact C-N 3.35Å; H333-L335 PolarHBondContact O-N 2.95Å; H333-L336 PolarHBondContact O-N 2.85Å; H333-D337 IonicContact CE1-OD1 3.07Å; H333-D337 IonicContact NE2-OD2 3.93Å; H333-D337 PolarHBondContact O-N 3.31Å
334R90.2Very high87.8Confident146 Ų14653.3 Ų53.355%0.55125%0.251SS*.Hα-helixtrans-59.8-41.9176.6-71.5-64-167.3-169.63.4113.1Q330 V331 D337 Y338Q330-R334 WeakPolarHBondContact O-CG 3.36Å; Q330-R334 PolarHBondContact O-N 2.88Å; V331-R334 PolarHBondContact O-N 3.22Å; R334-D337 PolarHBondContact O-N 3.13Å; R334-Y338 WeakPolarHBondContact O-CD2 3.31Å; R334-Y338 PolarHBondContact O-N 3.12Å
335L93.6Very high88.5Confident10 Ų1054.3 Ų54.35%0.05226%0.255CS..Hα-helixtrans-67.3-38.4178.2-66.8167000111.8L299 L302 V331 R332 H333 D337 Y338 L339 L434 W437L299-L335 HydrophobicContact CD2-CB 3.84Å; L299-L335 HydrophobicContact CD2-CD1 3.53Å; L299-L335 HydrophobicContact CD2-CG 4.34Å; L302-L335 HydrophobicContact CD1-CD1 4.38Å; V331-L335 HydrophobicContact CG1-CD1 3.75Å; V331-L335 HydrophobicContact CG1-CG 4.4Å; V331-L335 VanDerWaalsContact O-CG 3.29Å; V331-L335 WeakPolarHBondContact O-CG 3.41Å; V331-L335 PolarHBondContact O-N 3.44Å; R332-L335 PolarHBondContact O-N 3.4Å; H333-L335 VanDerWaalsContact C-N 3.35Å; H333-L335 PolarHBondContact O-N 2.95Å; L335-D337 VanDerWaalsContact C-N 3.34Å; L335-Y338 PolarHBondContact O-N 3.26Å; L335-L339 VanDerWaalsContact O-CG 3.29Å; L335-L339 WeakPolarHBondContact O-CG 3.49Å; L335-L339 PolarHBondContact O-N 2.93Å; L335-L434 HydrophobicContact CD2-CD2 3.99Å; L335-W437 HydrophobicContact CD1-CD2 3.69Å; L335-W437 HydrophobicContact CD1-CE3 4.43Å; L335-W437 HydrophobicContact CD1-CG 3.74Å; L335-W437 HydrophobicContact CD1-CZ2 4.12Å; L335-W437 HydrophobicContact CD2-CB 3.63Å; L335-W437 HydrophobicContact CD2-CD2 3.78Å; L335-W437 HydrophobicContact CD2-CE3 4.13Å; L335-W437 HydrophobicContact CD2-CG 3.53Å; L335-W437 HydrophobicContact CG-CD2 4.38Å; L335-W437 HydrophobicContact CG-CG 4.3Å
336L94.4Very high88.9Confident44 Ų4449.5 Ų49.523%0.2324%0.237CC..Hα-helixtrans-62.9-39.5173.8-74.1170.9000111.9L299 R332 H333 Y338 L339 N340L299-L336 HydrophobicContact CD1-CD2 3.54Å; L299-L336 HydrophobicContact CD1-CG 3.8Å; R332-L336 HydrophobicContact CG-CD1 4.1Å; R332-L336 WeakPolarHBondContact O-CG 3.46Å; R332-L336 PolarHBondContact O-N 3.11Å; H333-L336 PolarHBondContact O-N 2.85Å; L336-Y338 VanDerWaalsContact C-N 3.33Å; L336-Y338 PolarHBondContact O-N 3.4Å; L336-L339 PolarHBondContact O-N 2.83Å; L336-N340 WeakPolarHBondContact O-CB 3.34Å; L336-N340 PolarHBondContact O-N 2.83Å; L336-N340 PolarHBondContact O-ND2 2.91Å
337D91.9Very high89.2Confident56 Ų5650.1 Ų50.130%0.29924%0.238SC..Hα-helixtrans-58.6-44.5175.5-64.5-22.1000111.5H333 R334 L335 N340 C341H333-D337 IonicContact CE1-OD1 3.07Å; H333-D337 IonicContact NE2-OD2 3.93Å; H333-D337 PolarHBondContact O-N 3.31Å; R334-D337 PolarHBondContact O-N 3.13Å; L335-D337 VanDerWaalsContact C-N 3.34Å; D337-N340 PolarHBondContact O-N 2.79Å; D337-C341 WeakPolarHBondContact O-CB 3.44Å; D337-C341 PolarHBondContact O-N 2.79Å
338Y94.2Very high89.1Confident43 Ų4354.6 Ų54.617%0.16926%0.259CS..Hα-helixtrans-64.5-41.1176.3-62.9-45.7000112.6R334 L335 L336 C341 I342 A430 W433R334-Y338 WeakPolarHBondContact O-CD2 3.31Å; R334-Y338 PolarHBondContact O-N 3.12Å; L335-Y338 PolarHBondContact O-N 3.26Å; L336-Y338 VanDerWaalsContact C-N 3.33Å; L336-Y338 PolarHBondContact O-N 3.4Å; Y338-C341 WeakPolarHBondContact O-CB 3.39Å; Y338-C341 PolarHBondContact O-N 2.8Å; Y338-I342 PolarHBondContact O-N 2.85Å; Y338-A430 HydrophobicContact CD1-CB 3.96Å; Y338-A430 HydrophobicContact CG-CB 4.26Å; Y338-A430 WeakPolarHBondContact O-CB 3.38Å; Y338-W433 HydrophobicContact CD2-CB 3.82Å; Y338-W433 HydrophobicContact CE1-CB 4.31Å; Y338-W433 HydrophobicContact CE1-CG 4.42Å; Y338-W433 HydrophobicContact CE2-CB 3.37Å; Y338-W433 AromaticContact CE2-CG 3.89Å; Y338-W433 HydrophobicContact CE2-CG 3.89Å; Y338-W433 HydrophobicContact CG-CB 4.47Å; Y338-W433 AromaticContact CZ-CD1 3.69Å; Y338-W433 AromaticContact CZ-CG 3.71Å
339L94.9Very high88.7Confident0 Ų054.8 Ų54.80%026%0.259CS..Hα-helixtrans-66.4-42.1177.9-68.2168.2000111.8V292 S295 K296 L299 L335 L336 C341 I342 E343 L434V292-L339 HydrophobicContact CB-CD2 4.36Å; V292-L339 HydrophobicContact CG1-CB 4.17Å; V292-L339 HydrophobicContact CG1-CD2 4.2Å; V292-L339 HydrophobicContact CG2-CD2 4.13Å; S295-L339 VanDerWaalsContact CB-CD2 3.46Å; K296-L339 HydrophobicContact CG-CD1 3.82Å; L299-L339 HydrophobicContact CD1-CD1 3.97Å; L335-L339 VanDerWaalsContact O-CG 3.29Å; L335-L339 WeakPolarHBondContact O-CG 3.49Å; L335-L339 PolarHBondContact O-N 2.93Å; L336-L339 PolarHBondContact O-N 2.83Å; L339-C341 VanDerWaalsContact C-N 3.3Å; L339-C341 PolarHBondContact O-N 2.79Å; L339-I342 PolarHBondContact O-N 2.93Å; L339-E343 PolarHBondContact O-N 3.15Å; L339-L434 HydrophobicContact CD1-CD2 4.48Å; L339-L434 HydrophobicContact CD2-CD1 3.63Å; L339-L434 HydrophobicContact CD2-CD2 3.88Å; L339-L434 HydrophobicContact CD2-CG 4.44Å; L339-L434 HydrophobicContact CG-CD1 4.13Å; L339-L434 HydrophobicContact CG-CD2 3.9Å
340N92.8Very high88.2Confident74 Ų7451.9 Ų51.940%0.39625%0.246SC..Hα-helixtrans-65.7-33.9175.4-67.5-19.4000111.4L336 D337 I342 E343 L344L336-N340 WeakPolarHBondContact O-CB 3.34Å; L336-N340 PolarHBondContact O-N 2.83Å; L336-N340 PolarHBondContact O-ND2 2.91Å; D337-N340 PolarHBondContact O-N 2.79Å; N340-I342 PolarHBondContact O-N 3.03Å; N340-E343 PolarHBondContact O-N 3.12Å; N340-E343 PolarHBondContact OD1-OE2 3.44Å; N340-L344 WeakPolarHBondContact O-CB 3.47Å; N340-L344 PolarHBondContact O-N 2.91Å
341C91.4Very high87.3Confident9 Ų951.1 Ų51.16%0.06125%0.248CC..Hα-helixtrans-60.8-42.9173.1-179.80000111.9D337 Y338 L339 H345 N425 A430D337-C341 WeakPolarHBondContact O-CB 3.44Å; D337-C341 PolarHBondContact O-N 2.79Å; Y338-C341 WeakPolarHBondContact O-CB 3.39Å; Y338-C341 PolarHBondContact O-N 2.8Å; L339-C341 VanDerWaalsContact C-N 3.3Å; L339-C341 PolarHBondContact O-N 2.79Å; C341-H345 PolarHBondContact O-N 2.97Å; C341-H345 VanDerWaalsContact O-N 3.17Å; C341-H345 PolarHBondContact O-ND1 3.31Å; C341-N425 VanDerWaalsContact SG-C 3.6Å; C341-A430 HydrophobicContact CB-CB 4.19Å
342I91.8Very high85.9Confident0 Ų052.4 Ų52.40%026%0.256CS..Hα-helixtrans-65.2-46.1176.1-63.4172.1000110.3A288 F291 V292 Y338 L339 N340 L344 H345 V346 L406 L409 V427 A430 I431 L434A288-I342 HydrophobicContact CB-CG2 4.12Å; F291-I342 HydrophobicContact CD1-CD1 4.48Å; F291-I342 HydrophobicContact CE1-CD1 4.27Å; V292-I342 HydrophobicContact CG2-CB 3.89Å; V292-I342 HydrophobicContact CG2-CD1 4.42Å; V292-I342 HydrophobicContact CG2-CG2 3.7Å; Y338-I342 PolarHBondContact O-N 2.85Å; L339-I342 PolarHBondContact O-N 2.93Å; N340-I342 PolarHBondContact O-N 3.03Å; I342-L344 PolarHBondContact O-N 3.37Å; I342-H345 PolarHBondContact O-N 3.06Å; I342-V346 WeakPolarHBondContact O-CG2 3.39Å; I342-V346 PolarHBondContact O-N 3.41Å; I342-L406 HydrophobicContact CD1-CD2 4.36Å; I342-L406 HydrophobicContact CG2-CD2 4.09Å; I342-L409 HydrophobicContact CG2-CD1 4.12Å; I342-V427 HydrophobicContact CG1-CG1 4.44Å; I342-A430 HydrophobicContact CG1-CB 4.17Å; I342-I431 HydrophobicContact CD1-CG1 3.77Å; I342-I431 HydrophobicContact CG1-CG1 4.34Å; I342-L434 HydrophobicContact CD1-CD1 3.6Å
343E90Very high84Confident50 Ų5052.4 Ų52.423%0.23426%0.263CS..Hα-helixtrans-57.6-48.1176.2-78.1176158.700111.7V292 K296 L339 N340 H345 V346 E347V292-E343 HydrophobicContact CB-CG 4.45Å; V292-E343 HydrophobicContact CG1-CG 3.83Å; V292-E343 WeakPolarHBondContact CG1-OE1 3.25Å; V292-E343 HydrophobicContact CG2-CG 4.39Å; K296-E343 IonicContact NZ-OE1 3.92Å; K296-E343 PolarHBondContact NZ-OE1 3.04Å; K296-E343 IonicContact NZ-OE2 3.47Å; K296-E343 PolarHBondContact NZ-OE2 3.31Å; L339-E343 PolarHBondContact O-N 3.15Å; N340-E343 PolarHBondContact O-N 3.12Å; N340-E343 PolarHBondContact OD1-OE2 3.44Å; E343-H345 VanDerWaalsContact C-N 3.28Å; E343-H345 PolarHBondContact O-N 2.9Å; E343-V346 WeakPolarHBondContact O-CA 3.49Å; E343-V346 WeakPolarHBondContact O-CB 3.49Å; E343-V346 PolarHBondContact O-N 2.87Å; E343-E347 VanDerWaalsContact O-CG 3.32Å; E343-E347 WeakPolarHBondContact O-CG 3.29Å; E343-E347 PolarHBondContact O-N 3.16Å
344L87.3Confident82Confident85 Ų8548.2 Ų48.245%0.44525%0.245SC..Hα-helixtrans-55.7-43.5178.2-176.171.1000111.8N340 I342 E347 M348N340-L344 WeakPolarHBondContact O-CB 3.47Å; N340-L344 PolarHBondContact O-N 2.91Å; I342-L344 PolarHBondContact O-N 3.37Å; L344-E347 WeakPolarHBondContact O-CB 3.48Å; L344-E347 PolarHBondContact O-N 3.46Å; L344-M348 HydrophobicContact CG-SD 4.34Å; L344-M348 WeakPolarHBondContact O-CG 3.41Å; L344-M348 PolarHBondContact O-N 3.06Å
345H86.6Confident79.8Confident30 Ų3045.4 Ų45.414%0.13924%0.244CC..Hα-helixtrans-67.4-39.4177.3-76.877.4000112C341 I342 E343 E347 M348 H349 L409 N425 V427C341-H345 PolarHBondContact O-N 2.97Å; C341-H345 VanDerWaalsContact O-N 3.17Å; C341-H345 PolarHBondContact O-ND1 3.31Å; I342-H345 PolarHBondContact O-N 3.06Å; E343-H345 VanDerWaalsContact C-N 3.28Å; E343-H345 PolarHBondContact O-N 2.9Å; H345-E347 PolarHBondContact O-N 3.01Å; H345-M348 PolarHBondContact O-N 3.38Å; H345-H349 WeakPolarHBondContact O-CB 3.34Å; H345-H349 PolarHBondContact O-CD2 3.42Å; H345-H349 PolarHBondContact O-N 2.81Å; H345-L409 HydrophobicContact CB-CD2 4.4Å; H345-N425 PolarHBondContact CE1-O 3.31Å; H345-V427 HydrophobicContact CB-CG2 3.54Å; H345-V427 WeakPolarHBondContact CD2-CG2 3.5Å; H345-V427 VanDerWaalsContact ND1-CG2 3.28Å; H345-V427 WeakPolarHBondContact ND1-CG2 3.36Å
346V86.8Confident77.2Confident5 Ų548.4 Ų48.43%0.0326%0.263CS..Hα-helixtrans-55.9-43.4170.6170.50000110.3A288 I342 E343 T350 K401 L404 L409A288-V346 HydrophobicContact CB-CG2 3.78Å; I342-V346 WeakPolarHBondContact O-CG2 3.39Å; I342-V346 PolarHBondContact O-N 3.41Å; E343-V346 WeakPolarHBondContact O-CA 3.49Å; E343-V346 WeakPolarHBondContact O-CB 3.49Å; E343-V346 PolarHBondContact O-N 2.87Å; V346-T350 WeakPolarHBondContact O-CG2 3.33Å; V346-T350 PolarHBondContact O-N 3.03Å; V346-T350 PolarHBondContact O-OG1 3.32Å; V346-K401 HydrophobicContact CG1-CB 4.11Å; V346-K401 HydrophobicContact CG1-CG 4.06Å; V346-L404 HydrophobicContact CB-CD1 4.41Å; V346-L404 HydrophobicContact CG1-CD1 4.05Å; V346-L409 HydrophobicContact CG2-CD1 3.8Å
347E83.3Confident74.6Confident95 Ų9549.2 Ų49.244%0.44427%0.27SS..Hα-helixtrans-64.6-49.6178.2-58.7-156.7135.900112.8E343 L344 H345 H349 T350 T351 K401E343-E347 VanDerWaalsContact O-CG 3.32Å; E343-E347 WeakPolarHBondContact O-CG 3.29Å; E343-E347 PolarHBondContact O-N 3.16Å; L344-E347 WeakPolarHBondContact O-CB 3.48Å; L344-E347 PolarHBondContact O-N 3.46Å; H345-E347 PolarHBondContact O-N 3.01Å; E347-H349 VanDerWaalsContact C-N 3.27Å; E347-H349 PolarHBondContact O-N 3Å; E347-T350 PolarHBondContact O-N 3.44Å; E347-T350 PolarHBondContact O-OG1 3.21Å; E347-T351 PolarHBondContact O-N 2.85Å; E347-T351 PolarHBondContact O-OG1 3.48Å; E347-K401 IonicContact OE1-NZ 2.75Å; E347-K401 PolarHBondContact OE1-NZ 3.25Å
348M78.8Confident72.1Confident99 Ų9951.5 Ų51.549%0.48828%0.282SS..Hα-helixtrans-57-39.1179-71.7179.365.400112.8L344 H345 T350 T351 T352L344-M348 HydrophobicContact CG-SD 4.34Å; L344-M348 WeakPolarHBondContact O-CG 3.41Å; L344-M348 PolarHBondContact O-N 3.06Å; H345-M348 PolarHBondContact O-N 3.38Å; M348-T350 VanDerWaalsContact C-N 3.34Å; M348-T351 PolarHBondContact O-OG1 3.02Å; M348-T351 VanDerWaalsContact O-OG1 3.08Å; M348-T352 WeakPolarHBondContact O-CB 3.5Å; M348-T352 PolarHBondContact O-N 3.37Å; M348-T352 VanDerWaalsContact O-N 3.14Å; M348-T352 PolarHBondContact O-OG1 3.2Å
349H76.1Confident69.3Low17 Ų1755.8 Ų55.88%0.07931%0.307CS..Hα-helixtrans-68.1-34.3177.5-88.3-74.4000113.2H345 E347 T353 L404 Y408 Y412H345-H349 WeakPolarHBondContact O-CB 3.34Å; H345-H349 PolarHBondContact O-CD2 3.42Å; H345-H349 PolarHBondContact O-N 2.81Å; E347-H349 VanDerWaalsContact C-N 3.27Å; E347-H349 PolarHBondContact O-N 3Å; H349-T353 PolarHBondContact O-OG1 2.86Å; H349-L404 HydrophobicContact CB-CD1 3.69Å; H349-L404 HydrophobicContact CB-CD2 4.33Å; H349-Y408 AromaticContact CE1-CE1 3.87Å; H349-Y408 AromaticContact ND1-CE1 3.73Å; H349-Y412 AromaticContact CE1-CD1 3.15Å; H349-Y412 WeakPolarHBondContact CE1-CD1 3.47Å; H349-Y412 AromaticContact CE1-CD2 3.42Å; H349-Y412 VanDerWaalsContact CE1-CD2 3.42Å; H349-Y412 WeakPolarHBondContact CE1-CD2 3.42Å; H349-Y412 AromaticContact CE1-CE1 3.26Å; H349-Y412 WeakPolarHBondContact CE1-CE1 3.49Å; H349-Y412 AromaticContact CE1-CE2 3.52Å; H349-Y412 AromaticContact CE1-CG 3.22Å; H349-Y412 AromaticContact CE1-CZ 3.43Å; H349-Y412 VanDerWaalsContact CE1-CZ 3.43Å; H349-Y412 AromaticContact NE2-CD1 3.12Å; H349-Y412 WeakPolarHBondContact NE2-CD1 3.1Å; H349-Y412 AromaticContact NE2-CE1 3.43Å; H349-Y412 WeakPolarHBondContact NE2-CE1 3.27Å; H349-Y412 AromaticContact NE2-CG 3.54Å
350T73.2Confident66.4Low2 Ų263 Ų631%0.01234%0.343CS..Hα-helixtrans-78.7-30.5179.359.10000114V346 E347 M348 T354 K400 K401 L404V346-T350 WeakPolarHBondContact O-CG2 3.33Å; V346-T350 PolarHBondContact O-N 3.03Å; V346-T350 PolarHBondContact O-OG1 3.32Å; E347-T350 PolarHBondContact O-N 3.44Å; E347-T350 PolarHBondContact O-OG1 3.21Å; M348-T350 VanDerWaalsContact C-N 3.34Å; T350-T354 PolarHBondContact O-OG1 3.37Å; T350-K400 HydrophobicContact CG2-CB 3.98Å; T350-K401 HydrophobicContact CG2-CB 4.07Å; T350-K401 HydrophobicContact CG2-CG 3.31Å; T350-K401 VanDerWaalsContact OG1-CE 3.29Å; T350-K401 WeakPolarHBondContact OG1-CE 3.26Å; T350-L404 HydrophobicContact CG2-CD1 3.87Å
351T66.6Low63.7Low84 Ų8466.2 Ų66.252%0.51536%0.36SS..Hα-helixtrans-74.5-46.5174.954.80000111.6E347 M348 T353 T354E347-T351 PolarHBondContact O-N 2.85Å; E347-T351 PolarHBondContact O-OG1 3.48Å; M348-T351 PolarHBondContact O-OG1 3.02Å; M348-T351 VanDerWaalsContact O-OG1 3.08Å; T351-T353 VanDerWaalsContact C-N 3.32Å; T351-T353 PolarHBondContact O-N 2.95Å; T351-T354 PolarHBondContact O-N 2.83Å; T351-T354 VanDerWaalsContact O-N 3.11Å
352T58.2Low60.8Low82 Ų8270.9 Ų70.950%0.50338%0.384SS..Hα-helixtrans-60.4-39.4-176.3-52.40000112.7M348 T354 T355 T356M348-T352 WeakPolarHBondContact O-CB 3.5Å; M348-T352 PolarHBondContact O-N 3.37Å; M348-T352 VanDerWaalsContact O-N 3.14Å; M348-T352 PolarHBondContact O-OG1 3.2Å; T352-T354 PolarHBondContact O-N 2.94Å; T352-T355 PolarHBondContact O-N 3.2Å; T352-T356 PolarHBondContact O-OG1 3.41Å
353T52.5Low58.1Low56 Ų5676.7 Ų76.734%0.34442%0.422SS..Hα-helixtrans-67.4-25.4-179.2-48.30000112.6H349 T351 T357H349-T353 PolarHBondContact O-OG1 2.86Å; T351-T353 VanDerWaalsContact C-N 3.32Å; T351-T353 PolarHBondContact O-N 2.95Å; T353-T357 PolarHBondContact O-N 3.36Å; T353-T357 PolarHBondContact O-OG1 2.82Å
354T48.2Very low55.5Low25 Ų2580.7 Ų80.715%0.15345%0.445CS..Hα-helixtrans-76.4-33.4-176.1-490000111.4T350 T351 T352 T356 T357 N358T350-T354 PolarHBondContact O-OG1 3.37Å; T351-T354 PolarHBondContact O-N 2.83Å; T351-T354 VanDerWaalsContact O-N 3.11Å; T352-T354 PolarHBondContact O-N 2.94Å; T354-T356 VanDerWaalsContact C-N 3.33Å; T354-T356 PolarHBondContact O-N 3.07Å; T354-T357 WeakPolarHBondContact CA-OG1 3.43Å; T354-T357 PolarHBondContact O-N 2.83Å; T354-T357 PolarHBondContact O-OG1 3.22Å; T354-T357 VanDerWaalsContact O-OG1 3.1Å; T354-N358 PolarHBondContact O-N 3.49Å; T354-N358 VanDerWaalsContact O-N 3.15Å
355T42.4Very low52.9Low87 Ų8786.9 Ų86.953%0.53446%0.464SS..Hα-helixtrans-65.7-37.9175.2-39.20000111.2T352 L359T352-T355 PolarHBondContact O-N 3.2Å; T355-L359 HydrophobicContact CG2-CD1 4.15Å; T355-L359 WeakPolarHBondContact O-CD1 3.4Å; T355-L359 WeakPolarHBondContact O-CG 3.41Å; T355-L359 PolarHBondContact O-N 2.93Å
356T40.2Very low50.4Low73 Ų7391.5 Ų91.545%0.44849%0.494SS..Hα-helixtrans-72.2-36.2178.9-33.60000112.4T352 T354 L359 M360T352-T356 PolarHBondContact O-OG1 3.41Å; T354-T356 VanDerWaalsContact C-N 3.33Å; T354-T356 PolarHBondContact O-N 3.07Å; T356-L359 PolarHBondContact O-N 3Å; T356-M360 HydrophobicContact CG2-SD 4.26Å; T356-M360 WeakPolarHBondContact O-CG 3.12Å; T356-M360 PolarHBondContact O-N 3.42Å
357T40.3Very low47.7Very low62 Ų6297.2 Ų97.238%0.3853%0.53SS..Hα-helixtrans-73.1-28.5177.5470000113.6T353 T354T353-T357 PolarHBondContact O-N 3.36Å; T353-T357 PolarHBondContact O-OG1 2.82Å; T354-T357 WeakPolarHBondContact CA-OG1 3.43Å; T354-T357 PolarHBondContact O-N 2.83Å; T354-T357 PolarHBondContact O-OG1 3.22Å; T354-T357 VanDerWaalsContact O-OG1 3.1Å
358N38.2Very low45.2Very low103 Ų103100.4 Ų100.455%0.55155%0.55SS*.Hα-helixtrans-78.9-23176.4-70.2-9.3000112.8T354T354-N358 PolarHBondContact O-N 3.49Å; T354-N358 VanDerWaalsContact O-N 3.15Å
359L35.7Very low43Very low133 Ų133100.6 Ų100.670%0.69656%0.561SS**Hα-helixtrans-87.8-17.9176.4-73.3163.4000113.5T355 T356T355-L359 HydrophobicContact CG2-CD1 4.15Å; T355-L359 WeakPolarHBondContact O-CD1 3.4Å; T355-L359 WeakPolarHBondContact O-CG 3.41Å; T355-L359 PolarHBondContact O-N 2.93Å; T356-L359 PolarHBondContact O-N 3Å
360M34.7Very low41Very low152 Ų152105.9 Ų105.975%0.74960%0.595SS**SBendtrans-92-3.4-178.9-78.1-175.8148.900114.6T356T356-M360 HydrophobicContact CG2-SD 4.26Å; T356-M360 WeakPolarHBondContact O-CG 3.12Å; T356-M360 PolarHBondContact O-N 3.42Å
361N36.4Very low38.9Very low142 Ų142112.8 Ų112.876%0.75963%0.63SS**SBendtrans-102.710.9-179.1-85-4.8000114.5
362D30.7Very low37.4Very low106 Ų106116.1 Ų116.157%0.56764%0.643SS**  trans-121.4103.4176.9-140.7-22.4000110.6N364D362-N364 PolarHBondContact O-N 2.97Å
363P34.1Very low36Very low122 Ų122117.6 Ų117.679%0.79266%0.656SS**THydrogen-bonded Turntrans-70.85.3-176.8-15.529.4000114.9
364N36.3Very low34.9Very low134 Ų134117.9 Ų117.972%0.71767%0.671SS**THydrogen-bonded Turntrans-138.730.7-160.8-87.1-14.4000115.9D362D362-N364 PolarHBondContact O-N 2.97Å
365Y32.8Very low34.2Very low215 Ų215122.7 Ų122.784%0.84370%0.701SS**  trans-12595.2172.8-116.4-91.3000114
366T32.2Very low33.7Very low127 Ų127125.5 Ų125.578%0.77971%0.712SS**  trans-66.8132.6162.9-36.80000109D368T366-D368 PolarHBondContact O-N 3.43Å
367T31.6Very low33.4Very low125 Ų125131 Ų13177%0.76773%0.733SS**  trans-56.9126173.4390000112
368D31.2Very low33Very low162 Ų162132.5 Ų132.587%0.86675%0.752SS**  trans-154.4127.2140.5-99-26.4000111.6T366T366-D368 PolarHBondContact O-N 3.43Å
369S32Very low32.9Very low103 Ų103133.5 Ų133.572%0.7277%0.766SS**  trans-57146.8170.538.60000112.6
370T33Very low32.7Very low129 Ų129135.7 Ų135.779%0.79178%0.775SS**  166.1142.9114.3-53.40000111.2
371I30.7Very low32.6Very low147 Ų147135.4 Ų135.475%0.75478%0.777SS**  trans-53.9145.3177.5-51.9167.7000112.2
372I33.4Very low32.6Very low153 Ų153135.7 Ų135.779%0.78578%0.778SS**  159.9134.3126.8-77.1162.4000111.9
373S28.9Very low32.8Very low113 Ų113141.7 Ų141.779%0.7979%0.793SS**  trans-42152.5173.550.30000119.1
374G30.9Very low32.9Very low63 Ų63144.2 Ų144.265%0.64979%0.794SS**  trans146.5112141.500000117.2
375T33.7Very low33.1Very low126 Ų126143.9 Ų143.977%0.77379%0.793SS**  trans68.3113.1140.654.90000121.7
376D31.8Very low33.2Very low145 Ų145140.9 Ų140.978%0.77579%0.786SS**  48.9112.7122.6-52.7-27.7000120.1
377E33Very low33.5Very low189 Ų189140.1 Ų140.188%0.88378%0.777SS**  162.5141.799.4-87.3-158.3146.600111.8
378A32.4Very low33.8Very low94 Ų94139.6 Ų139.678%0.77777%0.769SS**  trans61.9104.814900000120.4
379S35.6Very low34.4Very low123 Ų123136 Ų13686%0.8675%0.753SS**  178.6135.8105.151.40000111.9
380M30.8Very low35.1Very low180 Ų180136.3 Ų136.389%0.88775%0.747SS**  trans-76.2124.1170.2-68.2-175.178.800109.4
381D33.4Very low35.7Very low146 Ų146134.6 Ų134.678%0.78174%0.736SS**  trans153.897.3143.5-92.2-18000108.7
382N36.4Very low36.3Very low147 Ų147132.7 Ų132.779%0.78673%0.727SS**  trans178.850.5159.9-92.9-29.6000112
383R35.7Very low37.3Very low233 Ų233128 Ų12888%0.87970%0.704SS**  trans-91.6-1-178.5-105.6-179.5-178163.41.9115.8
384E36.1Very low38.3Very low175 Ų175127.8 Ų127.882%0.81869%0.69SS**SBendtrans-103.3-16.1-173-72.5-173.7154.200116.1
385N38.8Very low38.9Very low127 Ų127127.8 Ų127.868%0.67968%0.68SS**SBendtrans-94-7.2178.5-81.2-18.7000115.3
386H35.5Very low40Very low151 Ų151126.1 Ų126.170%0.69967%0.666SS**Hα-helixtrans-78.4-21.9-177.1-117.2-57000113.8
387N39.2Very low41.4Very low112 Ų112121.4 Ų121.460%0.59964%0.64SS**Hα-helixtrans-78.8-41.5-176.2-74.3-26.3000112.6N390 V391N387-N390 PolarHBondContact O-N 2.79Å; N387-V391 VanDerWaalsContact O-CG2 3.32Å; N387-V391 WeakPolarHBondContact O-CG2 3.28Å; N387-V391 PolarHBondContact O-N 3.17Å
388D38.2Very low42.5Very low113 Ų113115.4 Ų115.460%0.60461%0.614SS**Hα-helixtrans-70.7-37-176.8-77.6-21.7000113.2N390 V391 N392D388-N390 VanDerWaalsContact C-N 3.3Å; D388-N390 PolarHBondContact O-N 2.85Å; D388-V391 PolarHBondContact O-N 2.88Å; D388-N392 PolarHBondContact O-N 3.08Å
389V43.8Very low43.8Very low86 Ų86116.8 Ų116.852%0.52160%0.602SS.*Hα-helixtrans-63.8-38.9175.2-179.40000110.8N393V389-N393 WeakPolarHBondContact O-CB 3.26Å; V389-N393 PolarHBondContact O-N 3.38Å; V389-N393 PolarHBondContact O-ND2 2.75Å
390N45.6Very low45.2Very low110 Ų110113.9 Ų113.959%0.58857%0.574SS**Hα-helixtrans-71.1-39.3179.8-160.73.3000112N387 D388 N393 H394N387-N390 PolarHBondContact O-N 2.79Å; D388-N390 VanDerWaalsContact C-N 3.3Å; D388-N390 PolarHBondContact O-N 2.85Å; N390-N393 PolarHBondContact O-N 3.28Å; N390-H394 WeakPolarHBondContact O-CB 3.47Å; N390-H394 PolarHBondContact O-N 3.25Å
391V45.8Very low46.9Very low93 Ų93107.4 Ų107.456%0.56454%0.541SS*.Hα-helixtrans-65-43.8175.9175.20000111.3N387 D388 H394 C395N387-V391 VanDerWaalsContact O-CG2 3.32Å; N387-V391 WeakPolarHBondContact O-CG2 3.28Å; N387-V391 PolarHBondContact O-N 3.17Å; D388-V391 PolarHBondContact O-N 2.88Å; V391-H394 PolarHBondContact O-N 2.67Å; V391-C395 WeakPolarHBondContact O-CB 3.4Å; V391-C395 PolarHBondContact O-N 3.35Å
392N43.7Very low48.1Very low107 Ų107102.8 Ų102.857%0.57252%0.523SS*.Hα-helixtrans-64.4-42.2176.3-87.8-15000112.3D388 H394 C395 N396D388-N392 PolarHBondContact O-N 3.08Å; N392-H394 VanDerWaalsContact C-N 3.34Å; N392-H394 PolarHBondContact O-N 3.07Å; N392-C395 PolarHBondContact O-N 3.42Å; N392-N396 WeakPolarHBondContact O-CB 3.32Å; N392-N396 VanDerWaalsContact O-CG 3.32Å; N392-N396 PolarHBondContact O-N 2.84Å; N392-N396 PolarHBondContact O-ND2 3.25Å
393N54.1Low49.6Very low55 Ų5597.9 Ų97.929%0.29450%0.496SS..Hα-helixtrans-61.8-43.1174.7-75.7-15.6000111.5V389 N390 N396 I397V389-N393 WeakPolarHBondContact O-CB 3.26Å; V389-N393 PolarHBondContact O-N 3.38Å; V389-N393 PolarHBondContact O-ND2 2.75Å; N390-N393 PolarHBondContact O-N 3.28Å; N393-N396 PolarHBondContact O-N 2.9Å; N393-I397 WeakPolarHBondContact O-CD1 3.26Å; N393-I397 VanDerWaalsContact O-CG1 3.22Å; N393-I397 WeakPolarHBondContact O-CG1 3.35Å; N393-I397 PolarHBondContact O-N 3.09Å
394H51.1Low51.8Low109 Ų10987.7 Ų87.751%0.50546%0.459SS..Hα-helixtrans-63.4-43.4177.3-169.175000112.3N390 V391 N392 N396 I397 L398N390-H394 WeakPolarHBondContact O-CB 3.47Å; N390-H394 PolarHBondContact O-N 3.25Å; V391-H394 PolarHBondContact O-N 2.67Å; N392-H394 VanDerWaalsContact C-N 3.34Å; N392-H394 PolarHBondContact O-N 3.07Å; H394-N396 PolarHBondContact O-N 2.93Å; H394-I397 PolarHBondContact O-N 3.12Å; H394-L398 WeakPolarHBondContact NE2-CD1 3.25Å; H394-L398 WeakPolarHBondContact O-CG 3.02Å; H394-L398 PolarHBondContact O-N 3.04Å
395C42Very low54.2Low63 Ų6379.8 Ų79.843%0.42642%0.422SS..Hα-helixtrans-62.9-42.4176.6-169.40000111.8V391 N392 L398 F399V391-C395 WeakPolarHBondContact O-CB 3.4Å; V391-C395 PolarHBondContact O-N 3.35Å; N392-C395 PolarHBondContact O-N 3.42Å; C395-L398 PolarHBondContact O-N 3.28Å; C395-F399 WeakPolarHBondContact O-CB 3.23Å; C395-F399 PolarHBondContact O-N 3.45Å
396N57.7Low56.6Low91 Ų9174.1 Ų74.149%0.48739%0.392SS..Hα-helixtrans-63.5-40.8175.9-76-29.5000112.4N392 N393 H394 F399 K400N392-N396 WeakPolarHBondContact O-CB 3.32Å; N392-N396 VanDerWaalsContact O-CG 3.32Å; N392-N396 PolarHBondContact O-N 2.84Å; N392-N396 PolarHBondContact O-ND2 3.25Å; N393-N396 PolarHBondContact O-N 2.9Å; H394-N396 PolarHBondContact O-N 2.93Å; N396-F399 PolarHBondContact O-N 2.95Å; N396-K400 WeakPolarHBondContact O-CB 3.34Å; N396-K400 WeakPolarHBondContact O-CG 3.35Å; N396-K400 PolarHBondContact O-N 3.4Å
397I59.8Low59Low46 Ų4667.2 Ų67.224%0.23636%0.361CS..Hα-helixtrans-63.8-47.3175.7-70.3164.4000110.4N393 H394 F399 K400 K401N393-I397 WeakPolarHBondContact O-CD1 3.26Å; N393-I397 VanDerWaalsContact O-CG1 3.22Å; N393-I397 WeakPolarHBondContact O-CG1 3.35Å; N393-I397 PolarHBondContact O-N 3.09Å; H394-I397 PolarHBondContact O-N 3.12Å; I397-F399 VanDerWaalsContact C-N 3.35Å; I397-F399 PolarHBondContact O-N 3.18Å; I397-K400 PolarHBondContact O-N 2.87Å; I397-K401 HydrophobicContact CG2-CG 4.49Å; I397-K401 WeakPolarHBondContact O-CG 3.46Å; I397-K401 PolarHBondContact O-N 3.38Å
398L57.2Low61.2Low62 Ų6265.6 Ų65.633%0.32535%0.348SS..Hα-helixtrans-61.6-42.1178-73.6175.6000112.2H394 C395 K401 A402H394-L398 WeakPolarHBondContact NE2-CD1 3.25Å; H394-L398 WeakPolarHBondContact O-CG 3.02Å; H394-L398 PolarHBondContact O-N 3.04Å; C395-L398 PolarHBondContact O-N 3.28Å; L398-K401 PolarHBondContact O-N 2.85Å; L398-A402 PolarHBondContact O-N 3.35Å
399F58.8Low63.5Low123 Ų12360.3 Ų60.354%0.53932%0.319SS..Hα-helixtrans-62.6-45.5176.7-173.1-110.8000111.4C395 N396 I397 K401 A402 Q403C395-F399 WeakPolarHBondContact O-CB 3.23Å; C395-F399 PolarHBondContact O-N 3.45Å; N396-F399 PolarHBondContact O-N 2.95Å; I397-F399 VanDerWaalsContact C-N 3.35Å; I397-F399 PolarHBondContact O-N 3.18Å; F399-K401 PolarHBondContact O-N 3.33Å; F399-A402 PolarHBondContact O-N 3Å; F399-Q403 VanDerWaalsContact CE2-NE2 3.28Å; F399-Q403 VanDerWaalsContact O-CG 3.26Å; F399-Q403 WeakPolarHBondContact O-CG 3.33Å; F399-Q403 PolarHBondContact O-N 3.39Å
400K65.9Low65.6Low62 Ų6258.3 Ų58.327%0.2731%0.306SS..Hα-helixtrans-61.3-43.2173.8-74.7178.9-178.4179.10111.9T350 N396 I397 A402 Q403 L404T350-K400 HydrophobicContact CG2-CB 3.98Å; N396-K400 WeakPolarHBondContact O-CB 3.34Å; N396-K400 WeakPolarHBondContact O-CG 3.35Å; N396-K400 PolarHBondContact O-N 3.4Å; I397-K400 PolarHBondContact O-N 2.87Å; K400-A402 VanDerWaalsContact C-N 3.28Å; K400-A402 PolarHBondContact O-N 3.37Å; K400-Q403 PolarHBondContact O-N 2.81Å; K400-Q403 VanDerWaalsContact O-N 3.14Å; K400-L404 PolarHBondContact O-N 3.14Å
401K66.5Low67.4Low45 Ų4556.6 Ų56.620%0.19629%0.291CS..Hα-helixtrans-57.7-42.2177.5-78.4-168176.9-1690111.2V346 E347 T350 I397 L398 F399 Q403V346-K401 HydrophobicContact CG1-CB 4.11Å; V346-K401 HydrophobicContact CG1-CG 4.06Å; E347-K401 IonicContact OE1-NZ 2.75Å; E347-K401 PolarHBondContact OE1-NZ 3.25Å; T350-K401 HydrophobicContact CG2-CB 4.07Å; T350-K401 HydrophobicContact CG2-CG 3.31Å; T350-K401 VanDerWaalsContact OG1-CE 3.29Å; T350-K401 WeakPolarHBondContact OG1-CE 3.26Å; I397-K401 HydrophobicContact CG2-CG 4.49Å; I397-K401 WeakPolarHBondContact O-CG 3.46Å; I397-K401 PolarHBondContact O-N 3.38Å; L398-K401 PolarHBondContact O-N 2.85Å; F399-K401 PolarHBondContact O-N 3.33Å; K401-Q403 PolarHBondContact O-N 2.63Å
402A59.3Low69.2Low49 Ų4956.2 Ų56.241%0.40528%0.28SS..Hα-helixtrans-68.1-23.1-178.700000113.8S287 L398 F399 K400S287-A402 PolarHBondContact OG-O 2.98Å; L398-A402 PolarHBondContact O-N 3.35Å; F399-A402 PolarHBondContact O-N 3Å; K400-A402 VanDerWaalsContact C-N 3.28Å; K400-A402 PolarHBondContact O-N 3.37Å
403Q67.2Low71.1Confident43 Ų4351.7 Ų51.720%0.20126%0.255CS..Hα-helixtrans-95.3-15.5-172.8-70.4175.8-11.800114.6I270 F399 K400 K401 S405I270-Q403 HydrophobicContact CD1-CB 4.4Å; I270-Q403 HydrophobicContact CD1-CG 3.64Å; I270-Q403 VanDerWaalsContact CG1-CD 3.45Å; I270-Q403 HydrophobicContact CG1-CG 4.34Å; F399-Q403 VanDerWaalsContact CE2-NE2 3.28Å; F399-Q403 VanDerWaalsContact O-CG 3.26Å; F399-Q403 WeakPolarHBondContact O-CG 3.33Å; F399-Q403 PolarHBondContact O-N 3.39Å; K400-Q403 PolarHBondContact O-N 2.81Å; K400-Q403 VanDerWaalsContact O-N 3.14Å; K401-Q403 PolarHBondContact O-N 2.63Å; Q403-S405 PolarHBondContact O-N 2.78Å
404L82.1Confident72.4Confident20 Ų2053.1 Ų53.111%0.10527%0.266CS..  trans-65.5117.9177.2-71.6167.4000109.5A288 V346 H349 T350 K400 Y408A288-L404 WeakPolarHBondContact CB-O 3.44Å; A288-L404 PolarHBondContact N-O 3.31Å; V346-L404 HydrophobicContact CB-CD1 4.41Å; V346-L404 HydrophobicContact CG1-CD1 4.05Å; H349-L404 HydrophobicContact CB-CD1 3.69Å; H349-L404 HydrophobicContact CB-CD2 4.33Å; T350-L404 HydrophobicContact CG2-CD1 3.87Å; K400-L404 PolarHBondContact O-N 3.14Å; L404-Y408 HydrophobicContact CD2-CD1 3.42Å; L404-Y408 VanDerWaalsContact CD2-CD1 3.42Å; L404-Y408 HydrophobicContact CD2-CE1 3.44Å; L404-Y408 VanDerWaalsContact CD2-CE1 3.44Å; L404-Y408 HydrophobicContact CD2-CG 4.27Å
405S86.5Confident73.8Confident8 Ų856.1 Ų56.16%0.05628%0.277CS..BIsolated β-bridgetrans-89.1155.7175.867.40000111.2D284 L286 Q403 G407 Y408 L409D284-S405 WeakPolarHBondContact O-CB 3.23Å; D284-S405 PolarHBondContact O-OG 3.18Å; L286-S405 CarbonylContact O-C 3.49Å; L286-S405 WeakPolarHBondContact O-CA 3.39Å; Q403-S405 PolarHBondContact O-N 2.78Å; S405-G407 PolarHBondContact O-N 2.75Å; S405-Y408 PolarHBondContact O-N 2.77Å; S405-Y408 WeakPolarHBondContact OG-CB 3.39Å; S405-Y408 PolarHBondContact OG-N 3.36Å; S405-Y408 VanDerWaalsContact OG-N 3.16Å; S405-L409 PolarHBondContact O-N 3.46Å; S405-L409 VanDerWaalsContact O-N 3.16Å
406L88.9Confident75.3Confident9 Ų958.4 Ų58.45%0.04728%0.282CS..Hα-helixtrans-57.8-39173.2-68.3-177.8000111.5L286 A288 F291 I342 Y408 L409 L410 I431L286-L406 HydrophobicContact CD2-CD1 3.59Å; L286-L406 HydrophobicContact CG-CD1 3.98Å; L286-L406 HydrophobicContact CG-CG 4.45Å; L286-L406 PolarHBondContact O-N 2.9Å; A288-L406 HydrophobicContact CB-CD2 3.75Å; A288-L406 HydrophobicContact CB-CG 4.37Å; F291-L406 HydrophobicContact CB-CD1 4.11Å; F291-L406 HydrophobicContact CD1-CD1 3.77Å; F291-L406 HydrophobicContact CD1-CD2 4.15Å; F291-L406 HydrophobicContact CD2-CD1 4.03Å; F291-L406 HydrophobicContact CE1-CD1 4.16Å; F291-L406 HydrophobicContact CE2-CD1 4.4Å; F291-L406 HydrophobicContact CG-CD1 3.7Å; F291-L406 HydrophobicContact CZ-CD1 4.46Å; I342-L406 HydrophobicContact CD1-CD2 4.36Å; I342-L406 HydrophobicContact CG2-CD2 4.09Å; L406-Y408 PolarHBondContact O-N 3.38Å; L406-L409 PolarHBondContact O-N 2.97Å; L406-L410 WeakPolarHBondContact O-CB 3.38Å; L406-L410 WeakPolarHBondContact O-CG 3.33Å; L406-L410 PolarHBondContact O-N 3.21Å; L406-I431 HydrophobicContact CB-CD1 4.16Å; L406-I431 HydrophobicContact CD2-CD1 3.91Å; L406-I431 HydrophobicContact CD2-CG1 4.31Å; L406-I431 HydrophobicContact CG-CD1 4.47Å
407G86.2Confident76Confident5 Ų557.4 Ų57.45%0.05227%0.271CS..Hα-helixtrans-63.3-38.8177.800000113.1G283 D284 S405 R411G283-G407 PolarHBondContact O-N 2.95Å; D284-G407 WeakPolarHBondContact OD1-CA 3.43Å; S405-G407 PolarHBondContact O-N 2.75Å; G407-R411 PolarHBondContact O-N 3.34Å
408Y85.7Confident75.7Confident79 Ų7965 Ų6531%0.3131%0.305SS..Hα-helixtrans-62.3-49.1173.1176.4-88.4000111.8H349 L404 S405 L406 L410 R411 Y412H349-Y408 AromaticContact CE1-CE1 3.87Å; H349-Y408 AromaticContact ND1-CE1 3.73Å; L404-Y408 HydrophobicContact CD2-CD1 3.42Å; L404-Y408 VanDerWaalsContact CD2-CD1 3.42Å; L404-Y408 HydrophobicContact CD2-CE1 3.44Å; L404-Y408 VanDerWaalsContact CD2-CE1 3.44Å; L404-Y408 HydrophobicContact CD2-CG 4.27Å; S405-Y408 PolarHBondContact O-N 2.77Å; S405-Y408 WeakPolarHBondContact OG-CB 3.39Å; S405-Y408 PolarHBondContact OG-N 3.36Å; S405-Y408 VanDerWaalsContact OG-N 3.16Å; L406-Y408 PolarHBondContact O-N 3.38Å; Y408-L410 VanDerWaalsContact C-N 3.32Å; Y408-L410 PolarHBondContact O-N 2.95Å; Y408-R411 PolarHBondContact O-N 2.77Å; Y408-Y412 WeakPolarHBondContact O-CB 3.36Å; Y408-Y412 PolarHBondContact O-N 3.34Å
409L86.9Confident75.6Confident2 Ų265.1 Ų65.11%0.0131%0.312CS..Hα-helixtrans-61.4-41.2-179.3-63.3175.1000111.8A288 I342 H345 V346 S405 L406 Y412 E413 V427A288-L409 HydrophobicContact CB-CD1 3.7Å; I342-L409 HydrophobicContact CG2-CD1 4.12Å; H345-L409 HydrophobicContact CB-CD2 4.4Å; V346-L409 HydrophobicContact CG2-CD1 3.8Å; S405-L409 PolarHBondContact O-N 3.46Å; S405-L409 VanDerWaalsContact O-N 3.16Å; L406-L409 PolarHBondContact O-N 2.97Å; L409-Y412 PolarHBondContact O-N 3Å; L409-E413 PolarHBondContact O-N 3.39Å; L409-V427 HydrophobicContact CB-CG1 3.95Å
410L87.5Confident75.5Confident44 Ų4463 Ų6323%0.2331%0.305CS..Hα-helixtrans-61.3-52.5176.1-77.5170.3000112.1L406 Y408 Y412 E413 V414 Y428 I431L406-L410 WeakPolarHBondContact O-CB 3.38Å; L406-L410 WeakPolarHBondContact O-CG 3.33Å; L406-L410 PolarHBondContact O-N 3.21Å; Y408-L410 VanDerWaalsContact C-N 3.32Å; Y408-L410 PolarHBondContact O-N 2.95Å; L410-Y412 VanDerWaalsContact C-N 3.26Å; L410-Y412 PolarHBondContact O-N 3.41Å; L410-E413 PolarHBondContact O-N 3.08Å; L410-V414 VanDerWaalsContact O-CG2 3.29Å; L410-V414 WeakPolarHBondContact O-CG2 3.45Å; L410-V414 PolarHBondContact O-N 2.98Å; L410-Y428 HydrophobicContact CD2-CD2 4.15Å; L410-I431 HydrophobicContact CD1-CD1 3.87Å; L410-I431 HydrophobicContact CD1-CG2 4.48Å; L410-I431 HydrophobicContact CD2-CD1 3.76Å; L410-I431 HydrophobicContact CG-CD1 3.6Å
411R83.8Confident74.8Confident73 Ų7366 Ų6628%0.27532%0.32SS..Hα-helixtrans-62.4-37.4178.8-78.6-166.5-63.6-79-12.1111.7D284 G407 Y408 K415D284-R411 VanDerWaalsContact CG-NH2 3.34Å; D284-R411 IonicContact OD1-CZ 3.98Å; D284-R411 IonicContact OD1-NH1 2.93Å; D284-R411 PolarHBondContact OD1-NH1 2.83Å; D284-R411 IonicContact OD1-NH2 2.78Å; D284-R411 PolarHBondContact OD1-NH2 3.15Å; D284-R411 IonicContact OD2-CZ 3.13Å; D284-R411 IonicContact OD2-NH1 3.69Å; D284-R411 PolarHBondContact OD2-NH1 3.4Å; D284-R411 IonicContact OD2-NH2 2.72Å; G407-R411 PolarHBondContact O-N 3.34Å; Y408-R411 PolarHBondContact O-N 2.77Å; R411-K415 VanDerWaalsContact O-CB 3.27Å; R411-K415 WeakPolarHBondContact O-CB 3.33Å; R411-K415 PolarHBondContact O-N 3.08Å
412Y82.8Confident74.2Confident85 Ų8572.4 Ų72.433%0.33335%0.35SS..Hα-helixtrans-63.2-48.4176.8-174.8-90.8000111.8H349 Y408 L409 L410 V414 K415 H416H349-Y412 AromaticContact CE1-CD1 3.15Å; H349-Y412 WeakPolarHBondContact CE1-CD1 3.47Å; H349-Y412 AromaticContact CE1-CD2 3.42Å; H349-Y412 VanDerWaalsContact CE1-CD2 3.42Å; H349-Y412 WeakPolarHBondContact CE1-CD2 3.42Å; H349-Y412 AromaticContact CE1-CE1 3.26Å; H349-Y412 WeakPolarHBondContact CE1-CE1 3.49Å; H349-Y412 AromaticContact CE1-CE2 3.52Å; H349-Y412 AromaticContact CE1-CG 3.22Å; H349-Y412 AromaticContact CE1-CZ 3.43Å; H349-Y412 VanDerWaalsContact CE1-CZ 3.43Å; H349-Y412 AromaticContact NE2-CD1 3.12Å; H349-Y412 WeakPolarHBondContact NE2-CD1 3.1Å; H349-Y412 AromaticContact NE2-CE1 3.43Å; H349-Y412 WeakPolarHBondContact NE2-CE1 3.27Å; H349-Y412 AromaticContact NE2-CG 3.54Å; Y408-Y412 WeakPolarHBondContact O-CB 3.36Å; Y408-Y412 PolarHBondContact O-N 3.34Å; L409-Y412 PolarHBondContact O-N 3Å; L410-Y412 VanDerWaalsContact C-N 3.26Å; L410-Y412 PolarHBondContact O-N 3.41Å; Y412-V414 PolarHBondContact O-N 3.29Å; Y412-K415 PolarHBondContact O-N 3.21Å; Y412-H416 AromaticContact CD1-ND1 3.91Å; Y412-H416 AromaticContact CD2-CE1 3.35Å; Y412-H416 WeakPolarHBondContact CD2-CE1 3.46Å; Y412-H416 AromaticContact CD2-ND1 3.56Å; Y412-H416 AromaticContact CE1-ND1 3.87Å; Y412-H416 AromaticContact CE2-CE1 3.12Å; Y412-H416 WeakPolarHBondContact CE2-CE1 3.34Å; Y412-H416 AromaticContact CE2-ND1 3.51Å; Y412-H416 AromaticContact CE2-NE2 3.66Å; Y412-H416 AromaticContact CG-ND1 3.77Å; Y412-H416 AromaticContact CZ-CE1 3.65Å; Y412-H416 AromaticContact CZ-ND1 3.68Å; Y412-H416 AromaticContact CZ-NE2 3.95Å; Y412-H416 PolarHBondContact O-N 3.15Å; Y412-H416 VanDerWaalsContact O-N 3.12Å; Y412-H416 PolarHBondContact O-ND1 3.07Å
413E83.1Confident74.2Confident12 Ų1273.4 Ų73.46%0.05635%0.349CS..Hα-helixtrans-61.2-46.2177.5-172.4-178.4-179.900111.2L409 L410 K415 H416 R417 S426 V427 Y428L409-E413 PolarHBondContact O-N 3.39Å; L410-E413 PolarHBondContact O-N 3.08Å; E413-K415 VanDerWaalsContact C-N 3.27Å; E413-K415 PolarHBondContact O-N 3.45Å; E413-H416 PolarHBondContact O-N 3.12Å; E413-R417 HydrophobicContact CG-CB 4.31Å; E413-R417 WeakPolarHBondContact O-CB 3.49Å; E413-R417 PolarHBondContact O-N 3.33Å; E413-R417 IonicContact OE1-CZ 3.53Å; E413-R417 IonicContact OE1-NH1 2.57Å; E413-R417 PolarHBondContact OE1-NH1 3.04Å; E413-S426 VanDerWaalsContact OE1-CA 3.25Å; E413-S426 WeakPolarHBondContact OE1-CA 3.25Å; E413-S426 WeakPolarHBondContact OE1-CB 3.39Å; E413-S426 PolarHBondContact OE1-OG 3Å; E413-S426 PolarHBondContact OE2-OG 2.91Å; E413-V427 VanDerWaalsContact OE2-CA 3.32Å; E413-V427 WeakPolarHBondContact OE2-CA 3.36Å; E413-V427 VanDerWaalsContact OE2-CB 3.28Å; E413-V427 WeakPolarHBondContact OE2-CB 3.31Å; E413-V427 PolarHBondContact OE2-N 2.94Å; E413-Y428 PolarHBondContact OE2-N 3.13Å
414V81.1Confident73.9Confident85 Ų8575.4 Ų75.452%0.51536%0.364SS..Hα-helixtrans-60-37.7178.8171.60000111.8L410 Y412L410-V414 VanDerWaalsContact O-CG2 3.29Å; L410-V414 WeakPolarHBondContact O-CG2 3.45Å; L410-V414 PolarHBondContact O-N 2.98Å; Y412-V414 PolarHBondContact O-N 3.29Å
415K80.8Confident73.6Confident173 Ų17379 Ų7975%0.75238%0.383SS*.Hα-helixtrans-72.5-32.5179.9-175.1174.3-179.9178.20113.5R411 Y412 E413R411-K415 VanDerWaalsContact O-CB 3.27Å; R411-K415 WeakPolarHBondContact O-CB 3.33Å; R411-K415 PolarHBondContact O-N 3.08Å; Y412-K415 PolarHBondContact O-N 3.21Å; E413-K415 VanDerWaalsContact C-N 3.27Å; E413-K415 PolarHBondContact O-N 3.45Å
416H73.9Confident73.6Confident111 Ų11178.6 Ų78.651%0.51438%0.381SS..Hα-helixtrans-104.8-6.9-172.2-62.881.4000113.9Y412 E413Y412-H416 AromaticContact CD1-ND1 3.91Å; Y412-H416 AromaticContact CD2-CE1 3.35Å; Y412-H416 WeakPolarHBondContact CD2-CE1 3.46Å; Y412-H416 AromaticContact CD2-ND1 3.56Å; Y412-H416 AromaticContact CE1-ND1 3.87Å; Y412-H416 AromaticContact CE2-CE1 3.12Å; Y412-H416 WeakPolarHBondContact CE2-CE1 3.34Å; Y412-H416 AromaticContact CE2-ND1 3.51Å; Y412-H416 AromaticContact CE2-NE2 3.66Å; Y412-H416 AromaticContact CG-ND1 3.77Å; Y412-H416 AromaticContact CZ-CE1 3.65Å; Y412-H416 AromaticContact CZ-ND1 3.68Å; Y412-H416 AromaticContact CZ-NE2 3.95Å; Y412-H416 PolarHBondContact O-N 3.15Å; Y412-H416 VanDerWaalsContact O-N 3.12Å; Y412-H416 PolarHBondContact O-ND1 3.07Å; E413-H416 PolarHBondContact O-N 3.12Å
417R72.3Confident73.6Confident69 Ų6978.1 Ų78.126%0.2638%0.379SS..  trans-113.8108.6-176.6-156.7178.8-173.4156.810.6110.8E413 S419E413-R417 HydrophobicContact CG-CB 4.31Å; E413-R417 WeakPolarHBondContact O-CB 3.49Å; E413-R417 PolarHBondContact O-N 3.33Å; E413-R417 IonicContact OE1-CZ 3.53Å; E413-R417 IonicContact OE1-NH1 2.57Å; E413-R417 PolarHBondContact OE1-NH1 3.04Å; R417-S419 PolarHBondContact NE-O 3.38Å; R417-S419 PolarHBondContact O-N 3.5Å
418E54.2Low73.8Confident206 Ų20682.3 Ų82.396%0.96339%0.393SS*.SBendtrans-66.1-18-178.9-67.9-179.4162.800114
419S54Low73.9Confident65 Ų6580 Ų8046%0.45539%0.386SS..  trans-148.2123.9170.761.10000112.2R417 Q421R417-S419 PolarHBondContact NE-O 3.38Å; R417-S419 PolarHBondContact O-N 3.5Å; S419-Q421 PolarHBondContact O-N 2.89Å
420I56.2Low74.2Confident77 Ų7779.9 Ų79.940%0.39539%0.385SS..  trans-76.979.3169.2-53.6172.3000106.9Y428I420-Y428 HydrophobicContact CD1-CD1 4.39Å; I420-Y428 HydrophobicContact CD1-CG 4.44Å; I420-Y428 HydrophobicContact CG2-CD1 3.67Å; I420-Y428 HydrophobicContact CG2-CE1 4.17Å; I420-Y428 HydrophobicContact CG2-CG 4.44Å
421Q51.1Low74.4Confident125 Ų12578.6 Ų78.658%0.58438%0.378SS*.  trans-69.5153165.2-70.8-179.9-9.800109S419 N423S419-Q421 PolarHBondContact O-N 2.89Å; Q421-N423 PolarHBondContact O-N 2.86Å
422E54.9Low74.8Confident180 Ų18077.4 Ų77.484%0.84138%0.377SS*.SBendtrans-66.552.8173.6-65.5-173158.900111.9M429E422-M429 HydrophobicContact CB-CE 4.5Å; E422-M429 HydrophobicContact CG-CE 4.19Å
423N59.5Low75.3Confident70 Ų7076 Ų7637%0.37437%0.371SS..  trans-90.2135-177.5-138.2-17.1000108Q421 N425 S426Q421-N423 PolarHBondContact O-N 2.86Å; N423-N425 PolarHBondContact O-N 2.88Å; N423-S426 WeakPolarHBondContact O-CB 3.43Å; N423-S426 PolarHBondContact O-N 3.38Å; N423-S426 VanDerWaalsContact O-N 3.16Å
424T60.6Low75.8Confident85 Ų8575.4 Ų75.452%0.52137%0.368SS..THydrogen-bonded Turntrans-58.5-18.8-179.449.80000113.1
425N75.5Confident76.4Confident95 Ų9574.5 Ų74.551%0.50837%0.365SS..THydrogen-bonded Turntrans-96.527.6-178.3-57.5-7.5000112.7C341 H345 N423C341-N425 VanDerWaalsContact SG-C 3.6Å; H345-N425 PolarHBondContact CE1-O 3.31Å; N423-N425 PolarHBondContact O-N 2.88Å
426S87Confident77Confident0 Ų068.8 Ų68.80%034%0.339CS..  trans-102.3124.81751750000110.4E413 N423 Y428 M429 A430E413-S426 VanDerWaalsContact OE1-CA 3.25Å; E413-S426 WeakPolarHBondContact OE1-CA 3.25Å; E413-S426 WeakPolarHBondContact OE1-CB 3.39Å; E413-S426 PolarHBondContact OE1-OG 3Å; E413-S426 PolarHBondContact OE2-OG 2.91Å; N423-S426 WeakPolarHBondContact O-CB 3.43Å; N423-S426 PolarHBondContact O-N 3.38Å; N423-S426 VanDerWaalsContact O-N 3.16Å; S426-Y428 VanDerWaalsContact C-N 3.29Å; S426-Y428 PolarHBondContact OG-N 3.34Å; S426-M429 PolarHBondContact O-N 3.33Å; S426-M429 PolarHBondContact OG-N 2.82Å; S426-A430 WeakPolarHBondContact O-CB 3.49Å; S426-A430 PolarHBondContact O-N 3.01Å
427V89.1Confident77.9Confident0 Ų063.9 Ų63.90%032%0.316CS..Hα-helixtrans-63.6-40173.81780000110.2I342 H345 L409 E413 M429 A430 I431I342-V427 HydrophobicContact CG1-CG1 4.44Å; H345-V427 HydrophobicContact CB-CG2 3.54Å; H345-V427 WeakPolarHBondContact CD2-CG2 3.5Å; H345-V427 VanDerWaalsContact ND1-CG2 3.28Å; H345-V427 WeakPolarHBondContact ND1-CG2 3.36Å; L409-V427 HydrophobicContact CB-CG1 3.95Å; E413-V427 VanDerWaalsContact OE2-CA 3.32Å; E413-V427 WeakPolarHBondContact OE2-CA 3.36Å; E413-V427 VanDerWaalsContact OE2-CB 3.28Å; E413-V427 WeakPolarHBondContact OE2-CB 3.31Å; E413-V427 PolarHBondContact OE2-N 2.94Å; V427-M429 PolarHBondContact O-N 3.42Å; V427-A430 PolarHBondContact O-N 3.18Å; V427-I431 HydrophobicContact CG1-CD1 3.5Å; V427-I431 HydrophobicContact CG1-CG1 4.1Å; V427-I431 WeakPolarHBondContact O-CB 3.44Å; V427-I431 WeakPolarHBondContact O-CG1 3.34Å; V427-I431 PolarHBondContact O-N 3.02Å
428Y89.5Confident79Confident93 Ų9362.1 Ų62.137%0.36531%0.312SS..Hα-helixtrans-54.7-52.3173.2171.1-93.1000111.6L410 E413 I420 S426 A430 I431 L432L410-Y428 HydrophobicContact CD2-CD2 4.15Å; E413-Y428 PolarHBondContact OE2-N 3.13Å; I420-Y428 HydrophobicContact CD1-CD1 4.39Å; I420-Y428 HydrophobicContact CD1-CG 4.44Å; I420-Y428 HydrophobicContact CG2-CD1 3.67Å; I420-Y428 HydrophobicContact CG2-CE1 4.17Å; I420-Y428 HydrophobicContact CG2-CG 4.44Å; S426-Y428 VanDerWaalsContact C-N 3.29Å; S426-Y428 PolarHBondContact OG-N 3.34Å; Y428-A430 VanDerWaalsContact C-N 3.35Å; Y428-A430 PolarHBondContact O-N 3.25Å; Y428-I431 PolarHBondContact O-N 2.85Å; Y428-L432 HydrophobicContact CE1-CD2 4.27Å; Y428-L432 VanDerWaalsContact O-CB 3.29Å; Y428-L432 WeakPolarHBondContact O-CB 3.33Å; Y428-L432 PolarHBondContact O-N 2.93Å
429M89.1Confident80.8Confident30 Ų3054.9 Ų54.915%0.14828%0.28CS..Hα-helixtrans-65.9-39179.5-66.7-61.5-73.100111.8E422 S426 V427 L432 W433E422-M429 HydrophobicContact CB-CE 4.5Å; E422-M429 HydrophobicContact CG-CE 4.19Å; S426-M429 PolarHBondContact O-N 3.33Å; S426-M429 PolarHBondContact OG-N 2.82Å; V427-M429 PolarHBondContact O-N 3.42Å; M429-L432 PolarHBondContact O-N 3.07Å; M429-L432 HydrophobicContact SD-CD2 4.33Å; M429-W433 VanDerWaalsContact O-CD1 3.26Å; M429-W433 PolarHBondContact O-N 3.38Å
430A92.2Very high82.7Confident0 Ų053.2 Ų53.20%026%0.264CS..Hα-helixtrans-60.3-51.3176.600000111.8Y338 C341 I342 S426 V427 Y428 L432 W433 L434Y338-A430 HydrophobicContact CD1-CB 3.96Å; Y338-A430 HydrophobicContact CG-CB 4.26Å; Y338-A430 WeakPolarHBondContact O-CB 3.38Å; C341-A430 HydrophobicContact CB-CB 4.19Å; I342-A430 HydrophobicContact CG1-CB 4.17Å; S426-A430 WeakPolarHBondContact O-CB 3.49Å; S426-A430 PolarHBondContact O-N 3.01Å; V427-A430 PolarHBondContact O-N 3.18Å; Y428-A430 VanDerWaalsContact C-N 3.35Å; Y428-A430 PolarHBondContact O-N 3.25Å; A430-L432 VanDerWaalsContact C-N 3.34Å; A430-L432 PolarHBondContact O-N 2.77Å; A430-W433 PolarHBondContact O-N 2.96Å; A430-L434 WeakPolarHBondContact O-CB 3.24Å; A430-L434 WeakPolarHBondContact O-CD1 3.36Å; A430-L434 WeakPolarHBondContact O-CG 3.38Å; A430-L434 PolarHBondContact O-N 2.8Å
431I92.1Very high84.4Confident17 Ų1749.8 Ų49.89%0.08725%0.247CC..Hα-helixtrans-62.4-42.4177.8-68.5170.9000110.5I342 L406 L410 V427 Y428 W433 L434 C435I342-I431 HydrophobicContact CD1-CG1 3.77Å; I342-I431 HydrophobicContact CG1-CG1 4.34Å; L406-I431 HydrophobicContact CB-CD1 4.16Å; L406-I431 HydrophobicContact CD2-CD1 3.91Å; L406-I431 HydrophobicContact CD2-CG1 4.31Å; L406-I431 HydrophobicContact CG-CD1 4.47Å; L410-I431 HydrophobicContact CD1-CD1 3.87Å; L410-I431 HydrophobicContact CD1-CG2 4.48Å; L410-I431 HydrophobicContact CD2-CD1 3.76Å; L410-I431 HydrophobicContact CG-CD1 3.6Å; V427-I431 HydrophobicContact CG1-CD1 3.5Å; V427-I431 HydrophobicContact CG1-CG1 4.1Å; V427-I431 WeakPolarHBondContact O-CB 3.44Å; V427-I431 WeakPolarHBondContact O-CG1 3.34Å; V427-I431 PolarHBondContact O-N 3.02Å; Y428-I431 PolarHBondContact O-N 2.85Å; I431-W433 PolarHBondContact O-N 3.37Å; I431-L434 PolarHBondContact O-N 3.31Å; I431-C435 VanDerWaalsContact O-CB 3.31Å; I431-C435 WeakPolarHBondContact O-CB 3.46Å; I431-C435 PolarHBondContact O-N 2.83Å; I431-C435 PolarHBondContact O-SG 2.99Å
432L91.7Very high86.3Confident48 Ų4850.9 Ų50.925%0.25125%0.245SC..Hα-helixtrans-57.8-50.5178.9176.663.1000112.1Y428 M429 A430 C435 R436Y428-L432 HydrophobicContact CE1-CD2 4.27Å; Y428-L432 VanDerWaalsContact O-CB 3.29Å; Y428-L432 WeakPolarHBondContact O-CB 3.33Å; Y428-L432 PolarHBondContact O-N 2.93Å; M429-L432 PolarHBondContact O-N 3.07Å; M429-L432 HydrophobicContact SD-CD2 4.33Å; A430-L432 VanDerWaalsContact C-N 3.34Å; A430-L432 PolarHBondContact O-N 2.77Å; L432-C435 PolarHBondContact O-N 2.99Å; L432-R436 WeakPolarHBondContact O-CG 3.4Å; L432-R436 PolarHBondContact O-N 3.28Å; L432-R436 VanDerWaalsContact O-N 3.11Å
433W92.7Very high88Confident54 Ų5443.3 Ų43.321%0.20521%0.21CC..Hα-helixtrans-70.8-36-179.3-78.3109.1000112.5Y338 M429 A430 I431 R436 W437 F484 H485Y338-W433 HydrophobicContact CD2-CB 3.82Å; Y338-W433 HydrophobicContact CE1-CB 4.31Å; Y338-W433 HydrophobicContact CE1-CG 4.42Å; Y338-W433 HydrophobicContact CE2-CB 3.37Å; Y338-W433 AromaticContact CE2-CG 3.89Å; Y338-W433 HydrophobicContact CE2-CG 3.89Å; Y338-W433 HydrophobicContact CG-CB 4.47Å; Y338-W433 AromaticContact CZ-CD1 3.69Å; Y338-W433 AromaticContact CZ-CG 3.71Å; M429-W433 VanDerWaalsContact O-CD1 3.26Å; M429-W433 PolarHBondContact O-N 3.38Å; A430-W433 PolarHBondContact O-N 2.96Å; I431-W433 PolarHBondContact O-N 3.37Å; W433-R436 PolarHBondContact O-N 2.99Å; W433-W437 PolarHBondContact O-N 3.43Å; W433-F484 HydrophobicContact CH2-CB 4.09Å; W433-F484 HydrophobicContact CZ3-CB 4.3Å; W433-H485 AromaticContact CH2-CD2 3.99Å; W433-H485 AromaticContact CZ3-CD2 3.81Å; W433-H485 AromaticContact CZ3-NE2 3.77Å
434L94.6Very high89.5Confident0 Ų040.2 Ų40.20%019%0.193CC..Hα-helixtrans-63.5-43.1172.9-73167.7000111.9F291 L335 L339 I342 A430 I431 R436 W437 L438F291-L434 HydrophobicContact CE1-CD1 4.14Å; F291-L434 HydrophobicContact CZ-CB 4.42Å; L335-L434 HydrophobicContact CD2-CD2 3.99Å; L339-L434 HydrophobicContact CD1-CD2 4.48Å; L339-L434 HydrophobicContact CD2-CD1 3.63Å; L339-L434 HydrophobicContact CD2-CD2 3.88Å; L339-L434 HydrophobicContact CD2-CG 4.44Å; L339-L434 HydrophobicContact CG-CD1 4.13Å; L339-L434 HydrophobicContact CG-CD2 3.9Å; I342-L434 HydrophobicContact CD1-CD1 3.6Å; A430-L434 WeakPolarHBondContact O-CB 3.24Å; A430-L434 WeakPolarHBondContact O-CD1 3.36Å; A430-L434 WeakPolarHBondContact O-CG 3.38Å; A430-L434 PolarHBondContact O-N 2.8Å; I431-L434 PolarHBondContact O-N 3.31Å; L434-R436 VanDerWaalsContact C-N 3.34Å; L434-R436 PolarHBondContact O-N 2.9Å; L434-W437 HydrophobicContact CD2-CE3 4.35Å; L434-W437 PolarHBondContact O-N 2.96Å; L434-L438 WeakPolarHBondContact O-CG 3.47Å; L434-L438 PolarHBondContact O-N 3.09Å
435C93.3Very high90.8Very high66 Ų6638 Ų3845%0.44618%0.178SC..Hα-helixtrans-60.6-42.2175.3-76.10000112I431 L432 L438 N439I431-C435 VanDerWaalsContact O-CB 3.31Å; I431-C435 WeakPolarHBondContact O-CB 3.46Å; I431-C435 PolarHBondContact O-N 2.83Å; I431-C435 PolarHBondContact O-SG 2.99Å; L432-C435 PolarHBondContact O-N 2.99Å; C435-L438 PolarHBondContact O-N 3Å; C435-N439 WeakPolarHBondContact O-CB 3.49Å; C435-N439 PolarHBondContact O-N 3.47Å
436R93.6Very high91.4Very high53 Ų5338.2 Ų38.220%0.218%0.176CC..Hα-helixtrans-62.9-41.3175.3-73.8175.7176.5157.13.4112.1L432 W433 L434 N439 F440 L481 F484L432-R436 WeakPolarHBondContact O-CG 3.4Å; L432-R436 PolarHBondContact O-N 3.28Å; L432-R436 VanDerWaalsContact O-N 3.11Å; W433-R436 PolarHBondContact O-N 2.99Å; L434-R436 VanDerWaalsContact C-N 3.34Å; L434-R436 PolarHBondContact O-N 2.9Å; R436-N439 WeakPolarHBondContact O-CB 3.29Å; R436-N439 PolarHBondContact O-N 3.32Å; R436-F440 PolarHBondContact O-N 3.06Å; R436-F440 VanDerWaalsContact O-N 3.08Å; R436-L481 HydrophobicContact CB-CD2 3.9Å; R436-F484 HydrophobicContact CG-CD2 4.31Å; R436-F484 HydrophobicContact CG-CE2 4.36Å; R436-F484 VanDerWaalsContact CZ-CG 3.48Å
437W93.7Very high91.3Very high9 Ų939.8 Ų39.83%0.03418%0.183CC..Hα-helixtrans-65.8-45.8175.6169.169.5000112.5L298 L299 L335 W433 L434 N439 F440 V441L298-W437 HydrophobicContact CB-CH2 4.06Å; L298-W437 HydrophobicContact CD2-CH2 3.82Å; L298-W437 HydrophobicContact CD2-CZ2 4.41Å; L298-W437 HydrophobicContact CD2-CZ3 4.29Å; L298-W437 HydrophobicContact CG-CH2 3.87Å; L298-W437 HydrophobicContact CG-CZ2 4.32Å; L299-W437 HydrophobicContact CD2-CH2 3.83Å; L299-W437 HydrophobicContact CD2-CZ2 3.71Å; L299-W437 HydrophobicContact CG-CH2 4.28Å; L335-W437 HydrophobicContact CD1-CD2 3.69Å; L335-W437 HydrophobicContact CD1-CE3 4.43Å; L335-W437 HydrophobicContact CD1-CG 3.74Å; L335-W437 HydrophobicContact CD1-CZ2 4.12Å; L335-W437 HydrophobicContact CD2-CB 3.63Å; L335-W437 HydrophobicContact CD2-CD2 3.78Å; L335-W437 HydrophobicContact CD2-CE3 4.13Å; L335-W437 HydrophobicContact CD2-CG 3.53Å; L335-W437 HydrophobicContact CG-CD2 4.38Å; L335-W437 HydrophobicContact CG-CG 4.3Å; W433-W437 PolarHBondContact O-N 3.43Å; L434-W437 HydrophobicContact CD2-CE3 4.35Å; L434-W437 PolarHBondContact O-N 2.96Å; W437-N439 PolarHBondContact O-N 3.15Å; W437-F440 WeakPolarHBondContact O-CA 3.48Å; W437-F440 WeakPolarHBondContact O-CB 3.36Å; W437-F440 PolarHBondContact O-N 3.09Å; W437-F440 VanDerWaalsContact O-N 3.07Å; W437-V441 HydrophobicContact CD2-CG2 4.3Å; W437-V441 HydrophobicContact CZ2-CG2 3.92Å; W437-V441 WeakPolarHBondContact O-CG2 3.42Å; W437-V441 PolarHBondContact O-N 3.38Å
438L94.2Very high91.1Very high32 Ų3243.4 Ų43.417%0.16820%0.202CC..Hα-helixtrans-61-36.1175.9-70.9174.1000111.8F261 F291 L298 L434 C435 V441 R442F261-L438 HydrophobicContact CE1-CD1 4.05Å; F261-L438 HydrophobicContact CE1-CD2 4.43Å; F261-L438 HydrophobicContact CE2-CD2 3.86Å; F261-L438 HydrophobicContact CZ-CD1 3.91Å; F261-L438 HydrophobicContact CZ-CD2 3.58Å; F261-L438 HydrophobicContact CZ-CG 4.42Å; F291-L438 HydrophobicContact CE2-CD1 3.63Å; F291-L438 HydrophobicContact CZ-CD1 3.75Å; L298-L438 HydrophobicContact CD2-CD2 3.6Å; L434-L438 WeakPolarHBondContact O-CG 3.47Å; L434-L438 PolarHBondContact O-N 3.09Å; C435-L438 PolarHBondContact O-N 3Å; L438-V441 PolarHBondContact O-N 2.82Å; L438-R442 WeakPolarHBondContact O-CB 3.29Å; L438-R442 PolarHBondContact O-N 3.17Å
439N92.3Very high90.6Very high54 Ų5446.2 Ų46.229%0.28922%0.216SC..Hα-helixtrans-62.7-42.6173.8-162.250000111.5C435 R436 W437 R442 E443C435-N439 WeakPolarHBondContact O-CB 3.49Å; C435-N439 PolarHBondContact O-N 3.47Å; R436-N439 WeakPolarHBondContact O-CB 3.29Å; R436-N439 PolarHBondContact O-N 3.32Å; W437-N439 PolarHBondContact O-N 3.15Å; N439-R442 PolarHBondContact O-N 3.44Å; N439-R442 PolarHBondContact OD1-NH1 2.99Å; N439-R442 PolarHBondContact OD1-NH2 3.13Å; N439-E443 WeakPolarHBondContact O-CB 3.45Å; N439-E443 PolarHBondContact O-N 3.31Å
440F93Very high90Very high29 Ų2948.7 Ų48.713%0.12724%0.236CC..Hα-helixtrans-60.8-47.2172.4165.4-96.5000112.1R436 W437 R442 E443 F444 A476 C480 L481R436-F440 PolarHBondContact O-N 3.06Å; R436-F440 VanDerWaalsContact O-N 3.08Å; W437-F440 WeakPolarHBondContact O-CA 3.48Å; W437-F440 WeakPolarHBondContact O-CB 3.36Å; W437-F440 PolarHBondContact O-N 3.09Å; W437-F440 VanDerWaalsContact O-N 3.07Å; F440-R442 VanDerWaalsContact C-N 3.33Å; F440-R442 PolarHBondContact O-N 3.31Å; F440-E443 PolarHBondContact O-N 3.24Å; F440-F444 HydrophobicContact CZ-CD2 4.42Å; F440-F444 VanDerWaalsContact O-CB 3.28Å; F440-F444 WeakPolarHBondContact O-CB 3.45Å; F440-F444 PolarHBondContact O-N 3.05Å; F440-A476 HydrophobicContact CD2-CB 3.92Å; F440-A476 HydrophobicContact CE2-CB 3.84Å; F440-C480 HydrophobicContact CB-CB 3.82Å; F440-L481 HydrophobicContact CB-CD1 3.74Å; F440-L481 HydrophobicContact CB-CG 4Å; F440-L481 HydrophobicContact CD1-CD1 4.32Å; F440-L481 HydrophobicContact CD2-CD1 4Å; F440-L481 HydrophobicContact CG-CD1 3.75Å; F440-L481 HydrophobicContact CG-CG 4.45Å
441V92.4Very high88.8Confident5 Ų551.2 Ų51.23%0.0325%0.253CS..Hα-helixtrans-61-43.2179.1175.90000110.9L298 W437 L438 F444 I445L298-V441 HydrophobicContact CD1-CG1 4.31Å; L298-V441 HydrophobicContact CD2-CG1 4.09Å; W437-V441 HydrophobicContact CD2-CG2 4.3Å; W437-V441 HydrophobicContact CZ2-CG2 3.92Å; W437-V441 WeakPolarHBondContact O-CG2 3.42Å; W437-V441 PolarHBondContact O-N 3.38Å; L438-V441 PolarHBondContact O-N 2.82Å; V441-F444 PolarHBondContact O-N 2.81Å; V441-I445 HydrophobicContact CG1-CD1 3.57Å; V441-I445 HydrophobicContact CG1-CG1 4.32Å; V441-I445 WeakPolarHBondContact O-CB 3.33Å; V441-I445 WeakPolarHBondContact O-CD1 3.36Å; V441-I445 VanDerWaalsContact O-CG1 3.22Å; V441-I445 WeakPolarHBondContact O-CG1 3.49Å; V441-I445 PolarHBondContact O-N 2.92Å
442R91.8Very high87.1Confident148 Ų14855.3 Ų55.356%0.55828%0.281SS*.Hα-helixtrans-59.3-49.7175.6-171.5-164.672.5-135.4-8.1111.5L438 N439 F440 I445 H446L438-R442 WeakPolarHBondContact O-CB 3.29Å; L438-R442 PolarHBondContact O-N 3.17Å; N439-R442 PolarHBondContact O-N 3.44Å; N439-R442 PolarHBondContact OD1-NH1 2.99Å; N439-R442 PolarHBondContact OD1-NH2 3.13Å; F440-R442 VanDerWaalsContact C-N 3.33Å; F440-R442 PolarHBondContact O-N 3.31Å; R442-I445 PolarHBondContact O-N 3.31Å; R442-H446 VanDerWaalsContact O-CB 3.29Å; R442-H446 WeakPolarHBondContact O-CB 3.11Å; R442-H446 PolarHBondContact O-N 3.44Å
443E89.6Confident85.2Confident22 Ų2258.8 Ų58.810%0.10330%0.3CS..Hα-helixtrans-65.5-40.9-177.8-16267.9-171.300111.6N439 F440 H446 H447 A476 R479 C480N439-E443 WeakPolarHBondContact O-CB 3.45Å; N439-E443 PolarHBondContact O-N 3.31Å; F440-E443 PolarHBondContact O-N 3.24Å; E443-H446 PolarHBondContact O-N 3.46Å; E443-H447 PolarHBondContact O-CD2 3.36Å; E443-H447 VanDerWaalsContact O-CD2 3.24Å; E443-H447 PolarHBondContact O-N 2.68Å; E443-H447 IonicContact OE1-CD2 3.82Å; E443-H447 IonicContact OE1-NE2 2.78Å; E443-H447 PolarHBondContact OE1-NE2 2.88Å; E443-A476 HydrophobicContact CB-CB 4.13Å; E443-A476 HydrophobicContact CG-CB 4.23Å; E443-R479 WeakPolarHBondContact OE1-CD 3.46Å; E443-R479 IonicContact OE1-CZ 4Å; E443-R479 IonicContact OE1-NE 3.49Å; E443-R479 IonicContact OE1-NH1 3.5Å; E443-R479 PolarHBondContact OE1-NH1 3.33Å; E443-C480 VanDerWaalsContact CB-SG 3.59Å
444F90.7Very high83.1Confident4 Ų459.3 Ų59.32%0.01831%0.31CS..Hα-helixtrans-60.5-50.4175.4179.8-89.1000111.7F301 L305 F440 V441 H446 H447 L448 L469 I472 A473 A476F301-F444 HydrophobicContact CE1-CD1 4.41Å; F301-F444 HydrophobicContact CE2-CD1 4.23Å; F301-F444 HydrophobicContact CE2-CE1 4.04Å; F301-F444 AromaticContact CZ-CD1 3.49Å; F301-F444 HydrophobicContact CZ-CD1 3.49Å; F301-F444 VanDerWaalsContact CZ-CD1 3.49Å; F301-F444 AromaticContact CZ-CE1 3.49Å; F301-F444 HydrophobicContact CZ-CE1 3.49Å; F301-F444 VanDerWaalsContact CZ-CE1 3.49Å; F301-F444 HydrophobicContact CZ-CG 4.41Å; F301-F444 HydrophobicContact CZ-CZ 4.39Å; L305-F444 HydrophobicContact CD2-CE1 4.1Å; L305-F444 HydrophobicContact CD2-CZ 3.82Å; F440-F444 HydrophobicContact CZ-CD2 4.42Å; F440-F444 VanDerWaalsContact O-CB 3.28Å; F440-F444 WeakPolarHBondContact O-CB 3.45Å; F440-F444 PolarHBondContact O-N 3.05Å; V441-F444 PolarHBondContact O-N 2.81Å; F444-H446 VanDerWaalsContact C-N 3.33Å; F444-H446 PolarHBondContact O-N 2.91Å; F444-H447 PolarHBondContact O-N 3.25Å; F444-L448 HydrophobicContact CE1-CD2 4.46Å; F444-L448 WeakPolarHBondContact O-CB 3.41Å; F444-L448 PolarHBondContact O-N 3.14Å; F444-L469 HydrophobicContact CE2-CD1 4.31Å; F444-L469 HydrophobicContact CZ-CD1 3.67Å; F444-L469 HydrophobicContact CZ-CG 4.41Å; F444-I472 HydrophobicContact CD2-CG2 3.84Å; F444-I472 HydrophobicContact CE2-CG2 3.87Å; F444-I472 HydrophobicContact CG-CG2 4.43Å; F444-I472 HydrophobicContact CZ-CG2 4.47Å; F444-A473 HydrophobicContact CD2-CB 4.32Å; F444-A473 HydrophobicContact CE2-CB 3.91Å; F444-A476 HydrophobicContact CB-CB 3.92Å; F444-A476 HydrophobicContact CD2-CB 4.48Å
445I89.1Confident80.8Confident38 Ų3863.9 Ų63.920%0.19534%0.342CS..Hα-helixtrans-63-42.2178.6-68.9168.6000110.3F254 V441 R442 H447 L448 F449F254-I445 HydrophobicContact CE1-CD1 3.68Å; F254-I445 HydrophobicContact CE2-CD1 4.22Å; F254-I445 HydrophobicContact CZ-CD1 3.35Å; F254-I445 HydrophobicContact CZ-CG1 3.96Å; V441-I445 HydrophobicContact CG1-CD1 3.57Å; V441-I445 HydrophobicContact CG1-CG1 4.32Å; V441-I445 WeakPolarHBondContact O-CB 3.33Å; V441-I445 WeakPolarHBondContact O-CD1 3.36Å; V441-I445 VanDerWaalsContact O-CG1 3.22Å; V441-I445 WeakPolarHBondContact O-CG1 3.49Å; V441-I445 PolarHBondContact O-N 2.92Å; R442-I445 PolarHBondContact O-N 3.31Å; I445-H447 PolarHBondContact O-N 3.47Å; I445-L448 WeakPolarHBondContact O-CB 3.39Å; I445-L448 PolarHBondContact O-N 2.88Å; I445-F449 HydrophobicContact CG2-CD2 3.73Å; I445-F449 HydrophobicContact CG2-CE2 3.75Å; I445-F449 VanDerWaalsContact O-CD2 3.23Å; I445-F449 WeakPolarHBondContact O-CD2 3.44Å; I445-F449 PolarHBondContact O-N 2.77Å; I445-F449 VanDerWaalsContact O-N 3.16Å
446H87.5Confident78.5Confident101 Ų10164.9 Ų64.947%0.46835%0.35SS..Hα-helixtrans-59.1-48.5177.1179.2-89.9000111.4R442 E443 F444 L448 F449 C450R442-H446 VanDerWaalsContact O-CB 3.29Å; R442-H446 WeakPolarHBondContact O-CB 3.11Å; R442-H446 PolarHBondContact O-N 3.44Å; E443-H446 PolarHBondContact O-N 3.46Å; F444-H446 VanDerWaalsContact C-N 3.33Å; F444-H446 PolarHBondContact O-N 2.91Å; H446-L448 VanDerWaalsContact C-N 3.3Å; H446-L448 PolarHBondContact O-N 3.29Å; H446-F449 PolarHBondContact O-N 2.81Å; H446-C450 VanDerWaalsContact O-CB 3.26Å; H446-C450 WeakPolarHBondContact O-CB 3.38Å; H446-C450 PolarHBondContact O-N 3.08Å
447H85.2Confident76Confident32 Ų3269 Ų6915%0.14838%0.375CS..Hα-helixtrans-64.7-33.6175.9-81.8-63.2000113.2E443 F444 I445 F449 S451 I472 R479E443-H447 PolarHBondContact O-CD2 3.36Å; E443-H447 VanDerWaalsContact O-CD2 3.24Å; E443-H447 PolarHBondContact O-N 2.68Å; E443-H447 IonicContact OE1-CD2 3.82Å; E443-H447 IonicContact OE1-NE2 2.78Å; E443-H447 PolarHBondContact OE1-NE2 2.88Å; F444-H447 PolarHBondContact O-N 3.25Å; I445-H447 PolarHBondContact O-N 3.47Å; H447-F449 VanDerWaalsContact C-N 3.26Å; H447-F449 PolarHBondContact O-N 3.38Å; H447-S451 WeakPolarHBondContact O-CB 3.49Å; H447-S451 PolarHBondContact O-N 3.34Å; H447-I472 HydrophobicContact CB-CB 4.41Å; H447-I472 HydrophobicContact CB-CG1 4.28Å; H447-I472 HydrophobicContact CB-CG2 3.64Å; H447-R479 PolarHBondContact CE1-NH1 3.14Å; H447-R479 PolarHBondContact NE2-NH1 2.92Å
448L84.2Confident73.2Confident77 Ų7774.4 Ų74.440%0.40341%0.409SS..Hα-helixtrans-61.7-34.5175.7-169.669.4000112.6F444 I445 H446 L469 I472F444-L448 HydrophobicContact CE1-CD2 4.46Å; F444-L448 WeakPolarHBondContact O-CB 3.41Å; F444-L448 PolarHBondContact O-N 3.14Å; I445-L448 WeakPolarHBondContact O-CB 3.39Å; I445-L448 PolarHBondContact O-N 2.88Å; H446-L448 VanDerWaalsContact C-N 3.3Å; H446-L448 PolarHBondContact O-N 3.29Å; L448-L469 HydrophobicContact CD1-CD1 3.85Å; L448-I472 HydrophobicContact CD1-CD1 4.24Å
449F80.4Confident70.5Confident152 Ų15279.8 Ų79.867%0.66744%0.438SS*.Hα-helixtrans-99.7-22.7-178-71.6-68.3000114.7I445 H446 H447I445-F449 HydrophobicContact CG2-CD2 3.73Å; I445-F449 HydrophobicContact CG2-CE2 3.75Å; I445-F449 VanDerWaalsContact O-CD2 3.23Å; I445-F449 WeakPolarHBondContact O-CD2 3.44Å; I445-F449 PolarHBondContact O-N 2.77Å; I445-F449 VanDerWaalsContact O-N 3.16Å; H446-F449 PolarHBondContact O-N 2.81Å; H447-F449 VanDerWaalsContact C-N 3.26Å; H447-F449 PolarHBondContact O-N 3.38Å
450C76.7Confident67.7Low82 Ų8285.2 Ų85.255%0.55447%0.467SS*.Hα-helixtrans-104.6-8.2-177.3-62.70000114.1H446H446-C450 VanDerWaalsContact O-CB 3.26Å; H446-C450 WeakPolarHBondContact O-CB 3.38Å; H446-C450 PolarHBondContact O-N 3.08Å
451S65.2Low65.2Low52 Ų5288.2 Ų88.236%0.36449%0.488SS..SBendtrans-65.6135172.6-170.30000109.7H447 D453H447-S451 WeakPolarHBondContact O-CB 3.49Å; H447-S451 PolarHBondContact O-N 3.34Å; S451-D453 PolarHBondContact O-N 3.02Å
452P57Low62.9Low104 Ų10496 Ų9668%0.67553%0.529SS*.PPolyproline II helixtrans-55.9134.5179.620.6-31000110.8
453D52.1Low60.8Low121 Ų12194.3 Ų94.365%0.64753%0.531SS*.PPolyproline II helixtrans-49.5125.6-177.9-97.3-33.4000111S451 S455 S456S451-D453 PolarHBondContact O-N 3.02Å; D453-S455 PolarHBondContact O-N 3.07Å; D453-S456 PolarHBondContact O-N 3.42Å; D453-S456 PolarHBondContact O-OG 3.44Å
454P48.3Very low58.8Low65 Ų6596.4 Ų96.442%0.42255%0.548SS..G310 helixtrans-62.3-11.3177.422.3-30.2000112.7S456 L457P454-S456 PolarHBondContact O-N 3.39Å; P454-L457 PolarHBondContact O-N 3.39Å; P454-L457 VanDerWaalsContact O-N 3.17Å
455S46.5Very low57Low95 Ų9599 Ų9966%0.66457%0.57SS**G310 helixtrans-70.7-7.2172.4530000114.6D453 L457D453-S455 PolarHBondContact O-N 3.07Å; S455-L457 VanDerWaalsContact C-N 3.35Å
456S45.5Very low55.3Low87 Ų87100.6 Ų100.661%0.60858%0.579SS**G310 helixtrans-81.8-12.5168.761.90000113.7D453 P454D453-S456 PolarHBondContact O-N 3.42Å; D453-S456 PolarHBondContact O-OG 3.44Å; P454-S456 PolarHBondContact O-N 3.39Å
457L39.8Very low53.9Low141 Ų14199.9 Ų99.974%0.73858%0.582SS**SBendtrans-102.282.2173.8-76.3145.5000108.9P454 S455 N459P454-L457 PolarHBondContact O-N 3.39Å; P454-L457 VanDerWaalsContact O-N 3.17Å; S455-L457 VanDerWaalsContact C-N 3.35Å; L457-N459 VanDerWaalsContact C-N 3.3Å; L457-N459 PolarHBondContact O-N 2.98Å
458T34.9Very low53.4Low122 Ų122100 Ų10075%0.74859%0.586SS**  trans-66.490.7167.544.90000109.2
459N38.4Very low53.2Low145 Ų14598.8 Ų98.878%0.77558%0.58SS**  trans-154.8118.5145.9-92-31.2000109.3L457 T461L457-N459 VanDerWaalsContact C-N 3.3Å; L457-N459 PolarHBondContact O-N 2.98Å; N459-T461 PolarHBondContact O-N 3.08Å
460N33.2Very low53.2Low168 Ų16895.2 Ų95.290%0.89857%0.57SS**  trans-49.7105.2-179-65.8-40.7000111.9
461T40.2Very low53.5Low91 Ų9195.4 Ų95.456%0.55857%0.569SS**  trans-155.9121.3150.62.30000107.5N459 N463 S464N459-T461 PolarHBondContact O-N 3.08Å; T461-N463 PolarHBondContact O-N 2.86Å; T461-S464 PolarHBondContact O-N 2.77Å
462L45.4Very low54.5Low170 Ų17093.5 Ų93.589%0.8956%0.555SS**THydrogen-bonded Turntrans-54.9-9.2177.7-146.773.1000113.3
463N46.8Very low55.9Low112 Ų11289.7 Ų89.760%0.59953%0.532SS*.THydrogen-bonded Turntrans-84.3-4.3178.3-60-15.2000114.5T461 T467T461-N463 PolarHBondContact O-N 2.86Å; N463-T467 PolarHBondContact O-N 3.05Å; N463-T467 PolarHBondContact O-OG1 3.21Å
464S48.9Very low57.5Low66 Ų6686.3 Ų86.346%0.46251%0.514SS..Hα-helixtrans-70.6-32.6-176.168.40000113.4T461 S468T461-S464 PolarHBondContact O-N 2.77Å; S464-S468 PolarHBondContact O-N 3.29Å
465A51.9Low59.3Low59 Ų5986.2 Ų86.249%0.48851%0.508SS..Hα-helixtrans-70.3-41.5-179.300000112.8S468 L469A465-S468 VanDerWaalsContact O-CB 3.27Å; A465-S468 WeakPolarHBondContact O-CB 3.32Å; A465-S468 PolarHBondContact O-N 3.46Å; A465-L469 PolarHBondContact O-N 2.93Å
466D53.8Low61.4Low71 Ų7181.7 Ų81.738%0.3848%0.476SS..Hα-helixtrans-68.7-38.1180-74.4-3.4000111.9N312 S468 L469 V470N312-D466 PolarHBondContact ND2-OD1 3.5Å; N312-D466 PolarHBondContact ND2-OD2 2.93Å; D466-S468 PolarHBondContact O-N 2.72Å; D466-L469 PolarHBondContact O-N 3.26Å; D466-V470 PolarHBondContact O-N 3.03Å
467T58.5Low63.4Low86 Ų8678.2 Ų78.253%0.52845%0.45SS..Hα-helixtrans-62.5-33.2174.7-49.30000110.9N463 T471N463-T467 PolarHBondContact O-N 3.05Å; N463-T467 PolarHBondContact O-OG1 3.21Å; T467-T471 WeakPolarHBondContact O-CB 3.37Å; T467-T471 PolarHBondContact O-N 2.88Å; T467-T471 VanDerWaalsContact O-N 3.16Å; T467-T471 PolarHBondContact O-OG1 3.5Å
468S74.1Confident65.7Low35 Ų3573.7 Ų73.725%0.24543%0.428CS..Hα-helixtrans-65.6-48.2175.9-175.80000112S464 A465 D466 V470 T471 I472S464-S468 PolarHBondContact O-N 3.29Å; A465-S468 VanDerWaalsContact O-CB 3.27Å; A465-S468 WeakPolarHBondContact O-CB 3.32Å; A465-S468 PolarHBondContact O-N 3.46Å; D466-S468 PolarHBondContact O-N 2.72Å; S468-V470 PolarHBondContact O-N 3.31Å; S468-T471 WeakPolarHBondContact O-CB 3.28Å; S468-T471 PolarHBondContact O-N 2.97Å; S468-I472 WeakPolarHBondContact O-CB 3.48Å; S468-I472 WeakPolarHBondContact O-CD1 3.49Å; S468-I472 VanDerWaalsContact O-CG1 3.24Å; S468-I472 WeakPolarHBondContact O-CG1 3.46Å; S468-I472 PolarHBondContact O-N 3.24Å
469L80Confident68.1Low50 Ų5070.5 Ų70.526%0.26240%0.402SS..Hα-helixtrans-65.3-42.3-176.2-166.269.3000112.7F444 L448 A465 D466 T471 I472 A473F444-L469 HydrophobicContact CE2-CD1 4.31Å; F444-L469 HydrophobicContact CZ-CD1 3.67Å; F444-L469 HydrophobicContact CZ-CG 4.41Å; L448-L469 HydrophobicContact CD1-CD1 3.85Å; A465-L469 PolarHBondContact O-N 2.93Å; D466-L469 PolarHBondContact O-N 3.26Å; L469-T471 VanDerWaalsContact C-N 3.32Å; L469-T471 PolarHBondContact O-N 3.4Å; L469-I472 PolarHBondContact O-N 3.47Å; L469-A473 WeakPolarHBondContact O-CB 3.45Å; L469-A473 PolarHBondContact O-N 3.47Å
470V80.3Confident70.5Confident78 Ų7863.8 Ų63.847%0.47337%0.366SS..Hα-helixtrans-63.5-40.4175.8174.80000110.7D466 S468 A473 N474D466-V470 PolarHBondContact O-N 3.03Å; S468-V470 PolarHBondContact O-N 3.31Å; V470-A473 PolarHBondContact O-N 3.17Å; V470-N474 WeakPolarHBondContact CG1-ND2 3.44Å; V470-N474 WeakPolarHBondContact O-CB 3.47Å; V470-N474 VanDerWaalsContact O-CG 3.3Å; V470-N474 PolarHBondContact O-N 2.92Å; V470-N474 PolarHBondContact O-ND2 3.01Å
471T83.3Confident73.2Confident86 Ų8656.7 Ų56.753%0.52833%0.329SS..Hα-helixtrans-63.5-44.6176.2-57.70000111.2T467 S468 L469 N474 E475T467-T471 WeakPolarHBondContact O-CB 3.37Å; T467-T471 PolarHBondContact O-N 2.88Å; T467-T471 VanDerWaalsContact O-N 3.16Å; T467-T471 PolarHBondContact O-OG1 3.5Å; S468-T471 WeakPolarHBondContact O-CB 3.28Å; S468-T471 PolarHBondContact O-N 2.97Å; L469-T471 VanDerWaalsContact C-N 3.32Å; L469-T471 PolarHBondContact O-N 3.4Å; T471-N474 PolarHBondContact O-N 2.9Å; T471-E475 WeakPolarHBondContact O-CB 3.46Å; T471-E475 PolarHBondContact O-N 3.41Å
472I86.6Confident75.4Confident11 Ų1154.5 Ų54.56%0.05631%0.31CS..Hα-helixtrans-60.8-45.9175.8-70.9162000111.1F444 H447 L448 S468 L469 E475 A476F444-I472 HydrophobicContact CD2-CG2 3.84Å; F444-I472 HydrophobicContact CE2-CG2 3.87Å; F444-I472 HydrophobicContact CG-CG2 4.43Å; F444-I472 HydrophobicContact CZ-CG2 4.47Å; H447-I472 HydrophobicContact CB-CB 4.41Å; H447-I472 HydrophobicContact CB-CG1 4.28Å; H447-I472 HydrophobicContact CB-CG2 3.64Å; L448-I472 HydrophobicContact CD1-CD1 4.24Å; S468-I472 WeakPolarHBondContact O-CB 3.48Å; S468-I472 WeakPolarHBondContact O-CD1 3.49Å; S468-I472 VanDerWaalsContact O-CG1 3.24Å; S468-I472 WeakPolarHBondContact O-CG1 3.46Å; S468-I472 PolarHBondContact O-N 3.24Å; L469-I472 PolarHBondContact O-N 3.47Å; I472-E475 PolarHBondContact O-N 3Å; I472-A476 WeakPolarHBondContact O-CB 3.43Å; I472-A476 PolarHBondContact O-N 3.49Å
473A85.8Confident77.4Confident24 Ų2449.9 Ų49.920%0.19829%0.29CS..Hα-helixtrans-60.2-46.6177.200000112F444 L469 V470 A476 Y477F444-A473 HydrophobicContact CD2-CB 4.32Å; F444-A473 HydrophobicContact CE2-CB 3.91Å; L469-A473 WeakPolarHBondContact O-CB 3.45Å; L469-A473 PolarHBondContact O-N 3.47Å; V470-A473 PolarHBondContact O-N 3.17Å; A473-A476 PolarHBondContact O-N 2.87Å; A473-Y477 WeakPolarHBondContact O-CB 3.48Å; A473-Y477 PolarHBondContact O-N 3.4Å
474N86.3Confident79.4Confident51 Ų5148.9 Ų48.927%0.27328%0.281SS..Hα-helixtrans-65.2-38.8-179.9-79.4-32000112.8V470 T471 T478 M494V470-N474 WeakPolarHBondContact CG1-ND2 3.44Å; V470-N474 WeakPolarHBondContact O-CB 3.47Å; V470-N474 VanDerWaalsContact O-CG 3.3Å; V470-N474 PolarHBondContact O-N 2.92Å; V470-N474 PolarHBondContact O-ND2 3.01Å; T471-N474 PolarHBondContact O-N 2.9Å; N474-T478 WeakPolarHBondContact O-CB 3.27Å; N474-T478 PolarHBondContact O-N 2.73Å; N474-T478 PolarHBondContact O-OG1 3.1Å; N474-M494 PolarHBondContact OD1-SD 3.49Å; N474-M494 VanDerWaalsContact OD1-SD 3.37Å
475E86.3Confident81.2Confident63 Ų6347.4 Ų47.429%0.29427%0.266SS..Hα-helixtrans-66.4-49.9177.1-172.461.8-163.800110.7T471 I472 Y477 T478 R479T471-E475 WeakPolarHBondContact O-CB 3.46Å; T471-E475 PolarHBondContact O-N 3.41Å; I472-E475 PolarHBondContact O-N 3Å; E475-Y477 VanDerWaalsContact C-N 3.34Å; E475-Y477 PolarHBondContact O-N 3.33Å; E475-T478 PolarHBondContact O-N 2.94Å; E475-R479 WeakPolarHBondContact O-CG 3.45Å; E475-R479 PolarHBondContact O-N 3.49Å; E475-R479 IonicContact OE1-CZ 3.07Å; E475-R479 IonicContact OE1-NE 2.65Å; E475-R479 PolarHBondContact OE1-NE 3.4Å; E475-R479 IonicContact OE1-NH2 2.96Å; E475-R479 PolarHBondContact OE1-NH2 3.47Å
476A88.9Confident82.5Confident0 Ų047.9 Ų47.90%027%0.266CS..Hα-helixtrans-60.1-43.6176.500000111.8F440 E443 F444 I472 A473 T478 R479 C480F440-A476 HydrophobicContact CD2-CB 3.92Å; F440-A476 HydrophobicContact CE2-CB 3.84Å; E443-A476 HydrophobicContact CB-CB 4.13Å; E443-A476 HydrophobicContact CG-CB 4.23Å; F444-A476 HydrophobicContact CB-CB 3.92Å; F444-A476 HydrophobicContact CD2-CB 4.48Å; I472-A476 WeakPolarHBondContact O-CB 3.43Å; I472-A476 PolarHBondContact O-N 3.49Å; A473-A476 PolarHBondContact O-N 2.87Å; A476-T478 PolarHBondContact O-N 3.29Å; A476-R479 PolarHBondContact O-N 2.94Å; A476-C480 VanDerWaalsContact O-CB 3.31Å; A476-C480 WeakPolarHBondContact O-CB 3.32Å; A476-C480 PolarHBondContact O-N 3.41Å; A476-C480 PolarHBondContact O-SG 3.08Å; A476-C480 VanDerWaalsContact O-SG 3.39Å
477Y88.7Confident83.4Confident14 Ų1455.1 Ų55.16%0.05529%0.288CS..Hα-helixtrans-62-44.7177.1175-106.5000112A473 E475 R479 C480 L481 R482 H485 R490 A493 M494A473-Y477 WeakPolarHBondContact O-CB 3.48Å; A473-Y477 PolarHBondContact O-N 3.4Å; E475-Y477 VanDerWaalsContact C-N 3.34Å; E475-Y477 PolarHBondContact O-N 3.33Å; Y477-R479 VanDerWaalsContact C-N 3.32Å; Y477-R479 PolarHBondContact O-N 3.3Å; Y477-C480 PolarHBondContact O-N 3.39Å; Y477-L481 HydrophobicContact CD2-CB 3.67Å; Y477-L481 HydrophobicContact CD2-CD1 4.13Å; Y477-L481 HydrophobicContact CE2-CB 3.61Å; Y477-L481 HydrophobicContact CE2-CD1 4.45Å; Y477-L481 PolarHBondContact O-N 3.11Å; Y477-R482 HydrophobicContact CD1-CB 4.02Å; Y477-R482 HydrophobicContact CE1-CB 3.63Å; Y477-R482 HydrophobicContact CE1-CG 3.92Å; Y477-R482 WeakPolarHBondContact O-CB 3.48Å; Y477-R482 PolarHBondContact O-N 3.1Å; Y477-H485 AromaticContact CE2-CE1 3.77Å; Y477-H485 AromaticContact CE2-ND1 3.39Å; Y477-H485 WeakPolarHBondContact CE2-ND1 3.46Å; Y477-H485 AromaticContact CZ-ND1 3.6Å; Y477-H485 PolarHBondContact OH-ND1 3.43Å; Y477-R490 WeakPolarHBondContact OH-CA 3.32Å; Y477-A493 HydrophobicContact CD2-CB 4.16Å; Y477-A493 HydrophobicContact CE1-CB 3.96Å; Y477-A493 HydrophobicContact CE2-CB 3.47Å; Y477-A493 VanDerWaalsContact CE2-CB 3.47Å; Y477-A493 WeakPolarHBondContact OH-CB 3.36Å; Y477-M494 HydrophobicContact CD1-CE 3.83Å; Y477-M494 HydrophobicContact CD1-SD 4.17Å; Y477-M494 HydrophobicContact CE1-CE 3.89Å; Y477-M494 HydrophobicContact CE1-SD 4.34Å
478T87.2Confident84.3Confident45 Ų4555.1 Ų55.128%0.27629%0.292SS..Hα-helixtrans-62.2-40.3-179.4-67.80000111.6N474 E475 A476 R482N474-T478 WeakPolarHBondContact O-CB 3.27Å; N474-T478 PolarHBondContact O-N 2.73Å; N474-T478 PolarHBondContact O-OG1 3.1Å; E475-T478 PolarHBondContact O-N 2.94Å; A476-T478 PolarHBondContact O-N 3.29Å; T478-R482 PolarHBondContact OG1-NH1 3.08Å
479R86.3Confident84.6Confident56 Ų5656.4 Ų56.421%0.21130%0.298CS..Hα-helixtrans-74-37.6178.2-68.9178.9-175.5-173.34113.5E443 H447 E475 A476 Y477E443-R479 WeakPolarHBondContact OE1-CD 3.46Å; E443-R479 IonicContact OE1-CZ 4Å; E443-R479 IonicContact OE1-NE 3.49Å; E443-R479 IonicContact OE1-NH1 3.5Å; E443-R479 PolarHBondContact OE1-NH1 3.33Å; H447-R479 PolarHBondContact CE1-NH1 3.14Å; H447-R479 PolarHBondContact NE2-NH1 2.92Å; E475-R479 WeakPolarHBondContact O-CG 3.45Å; E475-R479 PolarHBondContact O-N 3.49Å; E475-R479 IonicContact OE1-CZ 3.07Å; E475-R479 IonicContact OE1-NE 2.65Å; E475-R479 PolarHBondContact OE1-NE 3.4Å; E475-R479 IonicContact OE1-NH2 2.96Å; E475-R479 PolarHBondContact OE1-NH2 3.47Å; A476-R479 PolarHBondContact O-N 2.94Å; Y477-R479 VanDerWaalsContact C-N 3.32Å; Y477-R479 PolarHBondContact O-N 3.3Å
480C89Confident84.7Confident3 Ų357.8 Ų57.82%0.0230%0.3CS..Hα-helixtrans-105.1-36.1-165-600000115.2F440 E443 A476 Y477 F484F440-C480 HydrophobicContact CB-CB 3.82Å; E443-C480 VanDerWaalsContact CB-SG 3.59Å; A476-C480 VanDerWaalsContact O-CB 3.31Å; A476-C480 WeakPolarHBondContact O-CB 3.32Å; A476-C480 PolarHBondContact O-N 3.41Å; A476-C480 PolarHBondContact O-SG 3.08Å; A476-C480 VanDerWaalsContact O-SG 3.39Å; Y477-C480 PolarHBondContact O-N 3.39Å; C480-F484 WeakPolarHBondContact O-CD2 3.47Å; C480-F484 WeakPolarHBondContact O-CE2 3.4Å
481L88.4Confident84.4Confident20 Ų2055.9 Ų55.911%0.10530%0.296CS..THydrogen-bonded Turntrans-122.4-36.8-166.9-70.3173000113.5R436 F440 Y477 P483 F484 H485R436-L481 HydrophobicContact CB-CD2 3.9Å; F440-L481 HydrophobicContact CB-CD1 3.74Å; F440-L481 HydrophobicContact CB-CG 4Å; F440-L481 HydrophobicContact CD1-CD1 4.32Å; F440-L481 HydrophobicContact CD2-CD1 4Å; F440-L481 HydrophobicContact CG-CD1 3.75Å; F440-L481 HydrophobicContact CG-CG 4.45Å; Y477-L481 HydrophobicContact CD2-CB 3.67Å; Y477-L481 HydrophobicContact CD2-CD1 4.13Å; Y477-L481 HydrophobicContact CE2-CB 3.61Å; Y477-L481 HydrophobicContact CE2-CD1 4.45Å; Y477-L481 PolarHBondContact O-N 3.11Å; L481-P483 VanDerWaalsContact C-N 3.35Å; L481-F484 PolarHBondContact O-N 2.74Å; L481-H485 PolarHBondContact O-N 2.97Å
482R87Confident83.9Confident44 Ų4455.8 Ų55.817%0.16629%0.29CS..G310 helixtrans-53.1-39.4-176.3-174.1171.8169.9-158.4-12.6115E67 Y477 T478 F484 H485 R490E67-R482 IonicContact OE1-CZ 3.25Å; E67-R482 IonicContact OE1-NH2 2.67Å; E67-R482 PolarHBondContact OE1-NH2 3.32Å; E67-R482 IonicContact OE2-NH2 3.25Å; E67-R482 PolarHBondContact OE2-NH2 3.46Å; Y477-R482 HydrophobicContact CD1-CB 4.02Å; Y477-R482 HydrophobicContact CE1-CB 3.63Å; Y477-R482 HydrophobicContact CE1-CG 3.92Å; Y477-R482 WeakPolarHBondContact O-CB 3.48Å; Y477-R482 PolarHBondContact O-N 3.1Å; T478-R482 PolarHBondContact OG1-NH1 3.08Å; R482-F484 PolarHBondContact O-N 3.16Å; R482-H485 PolarHBondContact O-N 2.84Å; R482-R490 HydrophobicContact CG-CG 4.37Å; R482-R490 PolarHBondContact O-NE 3.15Å; R482-R490 VanDerWaalsContact O-NE 3.12Å; R482-R490 PolarHBondContact O-NH2 3.49Å; R482-R490 VanDerWaalsContact O-NH2 3.14Å
483P88Confident83.3Confident73 Ų7356 Ų5647%0.47429%0.294SS..G310 helixtrans-61.8-23.9177-24.236000113.8L481L481-P483 VanDerWaalsContact C-N 3.35Å
484F88.1Confident82.7Confident91 Ų9158.4 Ų58.440%0.39930%0.302SS..G310 helixtrans-102.6-11.3-174-50.2-66.8000113.5W433 R436 C480 L481 R482W433-F484 HydrophobicContact CH2-CB 4.09Å; W433-F484 HydrophobicContact CZ3-CB 4.3Å; R436-F484 HydrophobicContact CG-CD2 4.31Å; R436-F484 HydrophobicContact CG-CE2 4.36Å; R436-F484 VanDerWaalsContact CZ-CG 3.48Å; C480-F484 WeakPolarHBondContact O-CD2 3.47Å; C480-F484 WeakPolarHBondContact O-CE2 3.4Å; L481-F484 PolarHBondContact O-N 2.74Å; R482-F484 PolarHBondContact O-N 3.16Å
485H85.8Confident81.7Confident35 Ų3560.7 Ų60.716%0.16231%0.314CS..SBendtrans-89.1139.7177.3-72.7176.6000111.6W433 Y477 L481 R482 V489 R490W433-H485 AromaticContact CH2-CD2 3.99Å; W433-H485 AromaticContact CZ3-CD2 3.81Å; W433-H485 AromaticContact CZ3-NE2 3.77Å; Y477-H485 AromaticContact CE2-CE1 3.77Å; Y477-H485 AromaticContact CE2-ND1 3.39Å; Y477-H485 WeakPolarHBondContact CE2-ND1 3.46Å; Y477-H485 AromaticContact CZ-ND1 3.6Å; Y477-H485 PolarHBondContact OH-ND1 3.43Å; L481-H485 PolarHBondContact O-N 2.97Å; R482-H485 PolarHBondContact O-N 2.84Å; H485-V489 HydrophobicContact CB-CB 4Å; H485-V489 HydrophobicContact CB-CG1 3.82Å; H485-R490 HydrophobicContact CB-CG 3.93Å; H485-R490 PolarHBondContact O-NE 3.46Å; H485-R490 PolarHBondContact O-NH2 3.36Å
486S79.3Confident80.6Confident69 Ų6960.8 Ų60.848%0.48332%0.316SS..  trans-66.2162.5169.669.90000110.8S488 V489 R490S486-S488 VanDerWaalsContact C-N 3.28Å; S486-S488 PolarHBondContact O-N 3.38Å; S486-V489 PolarHBondContact O-N 2.73Å; S486-V489 WeakPolarHBondContact OG-CG2 3.42Å; S486-R490 WeakPolarHBondContact O-CG 3.45Å; S486-R490 PolarHBondContact O-N 3.06Å
487W73.9Confident80.2Confident223 Ų22363.8 Ų63.885%0.84533%0.332SS*.Hα-helixtrans-54-43.1-178.9179.856.8000113V489 R490 G491W487-V489 PolarHBondContact O-N 2.95Å; W487-R490 WeakPolarHBondContact O-CB 3.23Å; W487-R490 PolarHBondContact O-N 3.29Å; W487-G491 PolarHBondContact O-N 3.38Å; W487-G491 VanDerWaalsContact O-N 3.15Å
488S77Confident79.7Confident86 Ų8666.4 Ų66.460%0.60135%0.346SS*.Hα-helixtrans-62.4-41177-49.50000112.7S486 G491 M492S486-S488 VanDerWaalsContact C-N 3.28Å; S486-S488 PolarHBondContact O-N 3.38Å; S488-G491 PolarHBondContact O-N 2.91Å; S488-M492 PolarHBondContact O-N 3.3Å
489V79.5Confident79.3Confident62 Ų6267.6 Ų67.638%0.37635%0.35SS..Hα-helixtrans-70.3-34.8178178.20000111H485 S486 W487 G491 M492 A493H485-V489 HydrophobicContact CB-CB 4Å; H485-V489 HydrophobicContact CB-CG1 3.82Å; S486-V489 PolarHBondContact O-N 2.73Å; S486-V489 WeakPolarHBondContact OG-CG2 3.42Å; W487-V489 PolarHBondContact O-N 2.95Å; V489-G491 VanDerWaalsContact C-N 3.33Å; V489-G491 PolarHBondContact O-N 3.33Å; V489-M492 PolarHBondContact O-N 3.33Å; V489-A493 PolarHBondContact O-N 3.07Å
490R82.7Confident78.9Confident80 Ų8068.3 Ų68.330%0.30236%0.359SS..Hα-helixtrans-61.2-41.7174.6-65.8171.5-169.1-170.20.9111.9Y477 R482 H485 S486 W487 M492 A493 M494Y477-R490 WeakPolarHBondContact OH-CA 3.32Å; R482-R490 HydrophobicContact CG-CG 4.37Å; R482-R490 PolarHBondContact O-NE 3.15Å; R482-R490 VanDerWaalsContact O-NE 3.12Å; R482-R490 PolarHBondContact O-NH2 3.49Å; R482-R490 VanDerWaalsContact O-NH2 3.14Å; H485-R490 HydrophobicContact CB-CG 3.93Å; H485-R490 PolarHBondContact O-NE 3.46Å; H485-R490 PolarHBondContact O-NH2 3.36Å; S486-R490 WeakPolarHBondContact O-CG 3.45Å; S486-R490 PolarHBondContact O-N 3.06Å; W487-R490 WeakPolarHBondContact O-CB 3.23Å; W487-R490 PolarHBondContact O-N 3.29Å; R490-M492 VanDerWaalsContact C-N 3.31Å; R490-M492 PolarHBondContact O-N 3.18Å; R490-A493 PolarHBondContact O-N 3.48Å; R490-M494 WeakPolarHBondContact O-CG 3.27Å; R490-M494 PolarHBondContact O-N 2.87Å
491G74Confident78.3Confident38 Ų3872.4 Ų72.439%0.39238%0.38SS..Hα-helixtrans-60.2-40.4175.500000112.7W487 S488 V489 N495W487-G491 PolarHBondContact O-N 3.38Å; W487-G491 VanDerWaalsContact O-N 3.15Å; S488-G491 PolarHBondContact O-N 2.91Å; V489-G491 VanDerWaalsContact C-N 3.33Å; V489-G491 PolarHBondContact O-N 3.33Å; G491-N495 VanDerWaalsContact O-CG 3.3Å; G491-N495 PolarHBondContact O-N 3.31Å; G491-N495 PolarHBondContact O-ND2 3.27Å
492M73.5Confident77.6Confident83 Ų8375.9 Ų75.941%0.40940%0.398SS..Hα-helixtrans-66.3-43.6174.8-69.1-66.1-6700112.3S488 V489 R490 M494 N495S488-M492 PolarHBondContact O-N 3.3Å; V489-M492 PolarHBondContact O-N 3.33Å; R490-M492 VanDerWaalsContact C-N 3.31Å; R490-M492 PolarHBondContact O-N 3.18Å; M492-M494 PolarHBondContact O-N 3Å; M492-N495 PolarHBondContact O-N 3.45Å
493A73.8Confident76.9Confident17 Ų1778.1 Ų78.114%0.1442%0.415CS..Hα-helixtrans-66.8-35.5-178.700000113.2Y477 V489 R490 N495 I496Y477-A493 HydrophobicContact CD2-CB 4.16Å; Y477-A493 HydrophobicContact CE1-CB 3.96Å; Y477-A493 HydrophobicContact CE2-CB 3.47Å; Y477-A493 VanDerWaalsContact CE2-CB 3.47Å; Y477-A493 WeakPolarHBondContact OH-CB 3.36Å; V489-A493 PolarHBondContact O-N 3.07Å; R490-A493 PolarHBondContact O-N 3.48Å; A493-N495 PolarHBondContact O-N 2.89Å; A493-I496 WeakPolarHBondContact O-CB 3.36Å; A493-I496 PolarHBondContact O-N 3.08Å
494M72.8Confident76.1Confident74 Ų7478.5 Ų78.537%0.36541%0.41SS..THydrogen-bonded Turntrans-74.7-10.7176.6-66.6-62-169.300113.5N474 Y477 R490 M492N474-M494 PolarHBondContact OD1-SD 3.49Å; N474-M494 VanDerWaalsContact OD1-SD 3.37Å; Y477-M494 HydrophobicContact CD1-CE 3.83Å; Y477-M494 HydrophobicContact CD1-SD 4.17Å; Y477-M494 HydrophobicContact CE1-CE 3.89Å; Y477-M494 HydrophobicContact CE1-SD 4.34Å; R490-M494 WeakPolarHBondContact O-CG 3.27Å; R490-M494 PolarHBondContact O-N 2.87Å; M492-M494 PolarHBondContact O-N 3Å
495N66.4Low75.1Confident98 Ų9877.5 Ų77.552%0.52441%0.411SS..THydrogen-bonded Turntrans-91.3-9.3173.2-70.4-32.5000112.9G491 M492 A493G491-N495 VanDerWaalsContact O-CG 3.3Å; G491-N495 PolarHBondContact O-N 3.31Å; G491-N495 PolarHBondContact O-ND2 3.27Å; M492-N495 PolarHBondContact O-N 3.45Å; A493-N495 PolarHBondContact O-N 2.89Å
496I62.1Low74.1Confident65 Ų6581.4 Ų81.433%0.33343%0.434SS..  trans-79.20171.6-63.4174.6000107.7T324 A327 L328 V331 A493T324-I496 HydrophobicContact CG2-CG2 4.11Å; T324-I496 WeakPolarHBondContact CG2-O 3.5Å; A327-I496 HydrophobicContact CB-CD1 3.73Å; A327-I496 HydrophobicContact CB-CG1 3.4Å; A327-I496 VanDerWaalsContact CB-CG1 3.4Å; L328-I496 HydrophobicContact CD2-CG2 3.7Å; L328-I496 HydrophobicContact CG-CG2 3.97Å; V331-I496 HydrophobicContact CG2-CD1 4.27Å; A493-I496 WeakPolarHBondContact O-CB 3.36Å; A493-I496 PolarHBondContact O-N 3.08Å

Retrieved 496 of 496 residues in 136.5 ms (Link to these results)

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