A0A060XFC1_ONCMY Loading...

Syntaxin-8

Vesicle trafficking protein that functions in the early secretory pathway, possibly by mediating retrograde transport from cis-Golgi membranes to the ER.

AlphaFold DB , UniProt , Accession A0A060XFC1, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene stx8, Length 237 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
1M42.5Very low82.4Confident242 Ų24290.5 Ų90.5100%1.19248%0.482SS*.  0117.50-66-15515700107.5Q3M1-Q3 PolarHBondContact O-N 3Å
2S55.4Low83.4Confident123 Ų12386.9 Ų86.986%0.8647%0.474SS*.PPolyproline II helixtrans-68125179.244.40000109.3
3Q72.4Confident84.2Confident145 Ų14580.2 Ų80.268%0.67844%0.438SS*.PPolyproline II helixtrans-57.5143172.4-80.6175.9-18.400109.9M1 P5M1-Q3 PolarHBondContact O-N 3Å; Q3-P5 WeakPolarHBondContact O-CD 3.25Å
4D86.8Confident85Confident55 Ų5577.4 Ų77.429%0.29443%0.426SS..PPolyproline II helixtrans-58.6121.9177.1-176.5-17.4000109.6W6 L7 Q8 R79D4-W6 PolarHBondContact O-N 3.17Å; D4-W6 VanDerWaalsContact O-N 3.11Å; D4-W6 WeakPolarHBondContact OD1-CB 3.24Å; D4-W6 PolarHBondContact OD1-N 3Å; D4-L7 HydrophobicContact CB-CB 4.23Å; D4-L7 HydrophobicContact CB-CD1 3.98Å; D4-L7 HydrophobicContact CB-CG 4.08Å; D4-L7 PolarHBondContact O-N 2.94Å; D4-Q8 PolarHBondContact O-N 3Å; D4-R79 IonicContact OD1-NH1 3.65Å; D4-R79 IonicContact OD2-CZ 3.64Å; D4-R79 IonicContact OD2-NH1 2.98Å; D4-R79 PolarHBondContact OD2-NH1 2.86Å; D4-R79 IonicContact OD2-NH2 2.84Å; D4-R79 PolarHBondContact OD2-NH2 3.23Å
5P89.2Confident85.7Confident99 Ų9984.7 Ų84.764%0.64345%0.445SS*.Hα-helixtrans-54.6-30.8179-26.134.2000113.6Q3 N9Q3-P5 WeakPolarHBondContact O-CD 3.25Å; P5-N9 PolarHBondContact O-N 3.45Å; P5-N9 VanDerWaalsContact O-N 3.11Å
6W91.8Very high86.2Confident5 Ų580.1 Ų80.12%0.01942%0.421CS..Hα-helixtrans-67.4-45.8177.4-170.596.7000111.2D4 Q8 N9 Y10 L58 R79 L82 V83D4-W6 PolarHBondContact O-N 3.17Å; D4-W6 VanDerWaalsContact O-N 3.11Å; D4-W6 WeakPolarHBondContact OD1-CB 3.24Å; D4-W6 PolarHBondContact OD1-N 3Å; W6-Q8 VanDerWaalsContact C-N 3.33Å; W6-Q8 PolarHBondContact O-N 3.36Å; W6-N9 PolarHBondContact O-N 3.37Å; W6-Y10 HydrophobicContact CH2-CD2 4.2Å; W6-Y10 HydrophobicContact CH2-CG 4.49Å; W6-Y10 HydrophobicContact CZ3-CD2 4.38Å; W6-Y10 HydrophobicContact CZ3-CG 4.22Å; W6-Y10 PolarHBondContact O-N 3.48Å; W6-L58 HydrophobicContact CD2-CD2 4.24Å; W6-L58 HydrophobicContact CG-CD2 4.45Å; W6-L58 HydrophobicContact CZ2-CD2 4.29Å; W6-L58 PolarHBondContact NE1-O 2.83Å; W6-R79 HydrophobicContact CD2-CG 4.4Å; W6-R79 HydrophobicContact CE3-CG 3.92Å; W6-R79 HydrophobicContact CH2-CB 3.52Å; W6-R79 HydrophobicContact CH2-CG 3.61Å; W6-R79 HydrophobicContact CZ2-CB 3.73Å; W6-R79 HydrophobicContact CZ2-CG 4.08Å; W6-R79 HydrophobicContact CZ3-CB 4.01Å; W6-R79 HydrophobicContact CZ3-CG 3.52Å; W6-L82 HydrophobicContact CH2-CB 4.46Å; W6-L82 HydrophobicContact CH2-CD1 4.47Å; W6-L82 HydrophobicContact CZ3-CD1 4.38Å; W6-V83 HydrophobicContact CH2-CG2 4.28Å; W6-V83 HydrophobicContact CZ2-CG2 3.77Å
7L91.7Very high86.5Confident54 Ų5476.3 Ų76.328%0.28340%0.401SS..Hα-helixtrans-65.6-38177.9-68.7174.8000111.3D4 N9 Y10 D11D4-L7 HydrophobicContact CB-CB 4.23Å; D4-L7 HydrophobicContact CB-CD1 3.98Å; D4-L7 HydrophobicContact CB-CG 4.08Å; D4-L7 PolarHBondContact O-N 2.94Å; L7-N9 VanDerWaalsContact C-N 3.34Å; L7-N9 PolarHBondContact O-N 3.19Å; L7-Y10 WeakPolarHBondContact O-CB 3.1Å; L7-Y10 PolarHBondContact O-N 3.07Å; L7-D11 PolarHBondContact O-N 3.23Å
8Q93.3Very high86.9Confident119 Ų11978.6 Ų78.656%0.55641%0.41SS*.Hα-helixtrans-62.4-41.8175.8-170.1178.436.500112.1D4 W6 Y10 D11 A12D4-Q8 PolarHBondContact O-N 3Å; W6-Q8 VanDerWaalsContact C-N 3.33Å; W6-Q8 PolarHBondContact O-N 3.36Å; Q8-Y10 VanDerWaalsContact C-N 3.34Å; Q8-D11 PolarHBondContact O-N 3.04Å; Q8-A12 WeakPolarHBondContact O-CB 2.99Å; Q8-A12 PolarHBondContact O-N 2.98Å
9N93Very high87.3Confident46 Ų4679.8 Ų79.825%0.24641%0.413CS..Hα-helixtrans-68.9-35.4176.1-167.627.5000111.7P5 W6 L7 A12 T13 L58P5-N9 PolarHBondContact O-N 3.45Å; P5-N9 VanDerWaalsContact O-N 3.11Å; W6-N9 PolarHBondContact O-N 3.37Å; L7-N9 VanDerWaalsContact C-N 3.34Å; L7-N9 PolarHBondContact O-N 3.19Å; N9-A12 PolarHBondContact O-N 2.84Å; N9-T13 WeakPolarHBondContact O-CB 3.38Å; N9-T13 PolarHBondContact O-N 3.09Å; N9-T13 PolarHBondContact O-OG1 3.33Å; N9-L58 HydrophobicContact CB-CD2 3.85Å
10Y94.6Very high87.4Confident30 Ų3075.8 Ų75.812%0.11839%0.392CS..Hα-helixtrans-61.1-50.2172.9175.9-96.6000111.2W6 L7 Q8 A12 T13 C14 L58 L82 L86W6-Y10 HydrophobicContact CH2-CD2 4.2Å; W6-Y10 HydrophobicContact CH2-CG 4.49Å; W6-Y10 HydrophobicContact CZ3-CD2 4.38Å; W6-Y10 HydrophobicContact CZ3-CG 4.22Å; W6-Y10 PolarHBondContact O-N 3.48Å; L7-Y10 WeakPolarHBondContact O-CB 3.1Å; L7-Y10 PolarHBondContact O-N 3.07Å; Q8-Y10 VanDerWaalsContact C-N 3.34Å; Y10-A12 VanDerWaalsContact C-N 3.33Å; Y10-A12 PolarHBondContact O-N 2.6Å; Y10-T13 CarbonylContact O-C 3.58Å; Y10-T13 WeakPolarHBondContact O-CA 3.34Å; Y10-T13 WeakPolarHBondContact O-CB 3.5Å; Y10-T13 PolarHBondContact O-N 3.4Å; Y10-C14 VanDerWaalsContact CE1-SG 3.54Å; Y10-C14 VanDerWaalsContact CZ-SG 3.5Å; Y10-C14 PolarHBondContact O-N 2.91Å; Y10-C14 PolarHBondContact O-SG 2.84Å; Y10-L58 HydrophobicContact CD2-CD1 4.47Å; Y10-L82 HydrophobicContact CD2-CB 4.33Å; Y10-L82 HydrophobicContact CE1-CD1 4.49Å; Y10-L82 HydrophobicContact CE2-CB 3.64Å; Y10-L82 HydrophobicContact CE2-CG 4.45Å; Y10-L82 WeakPolarHBondContact OH-CD2 3.21Å; Y10-L86 HydrophobicContact CD2-CD1 3.61Å; Y10-L86 HydrophobicContact CD2-CG 4.46Å; Y10-L86 HydrophobicContact CE2-CD1 3.48Å; Y10-L86 VanDerWaalsContact CE2-CD1 3.48Å; Y10-L86 HydrophobicContact CE2-CD2 4.4Å; Y10-L86 HydrophobicContact CE2-CG 3.84Å
11D95.6Very high87.5Confident78 Ų7873.5 Ų73.542%0.41739%0.385SS..Hα-helixtrans-60.7-41.4178.3-71.1-20000112L7 Q8 T13 C14 R15L7-D11 PolarHBondContact O-N 3.23Å; Q8-D11 PolarHBondContact O-N 3.04Å; D11-T13 VanDerWaalsContact C-N 3.28Å; D11-T13 PolarHBondContact O-N 2.86Å; D11-C14 PolarHBondContact O-N 3.37Å; D11-R15 WeakPolarHBondContact O-CG 3.29Å; D11-R15 PolarHBondContact O-N 3.47Å
12A94.6Very high89.9Confident47 Ų4767.2 Ų67.239%0.38835%0.352SS..Hα-helixtrans-62-37.7174.300000112Q8 N9 Y10 R15 L16Q8-A12 WeakPolarHBondContact O-CB 2.99Å; Q8-A12 PolarHBondContact O-N 2.98Å; N9-A12 PolarHBondContact O-N 2.84Å; Y10-A12 VanDerWaalsContact C-N 3.33Å; Y10-A12 PolarHBondContact O-N 2.6Å; A12-R15 PolarHBondContact O-N 2.86Å; A12-L16 PolarHBondContact O-N 3.03Å; A12-L16 VanDerWaalsContact O-N 3.13Å
13T93.6Very high91.4Very high0 Ų063.8 Ų63.80%033%0.325CS..Hα-helixtrans-69-40.1176.7-55.60000111.3N9 Y10 D11 R15 L16 V17 L51 N54 I55 L58 L86N9-T13 WeakPolarHBondContact O-CB 3.38Å; N9-T13 PolarHBondContact O-N 3.09Å; N9-T13 PolarHBondContact O-OG1 3.33Å; Y10-T13 CarbonylContact O-C 3.58Å; Y10-T13 WeakPolarHBondContact O-CA 3.34Å; Y10-T13 WeakPolarHBondContact O-CB 3.5Å; Y10-T13 PolarHBondContact O-N 3.4Å; D11-T13 VanDerWaalsContact C-N 3.28Å; D11-T13 PolarHBondContact O-N 2.86Å; T13-R15 VanDerWaalsContact C-N 3.35Å; T13-R15 PolarHBondContact O-N 2.96Å; T13-L16 WeakPolarHBondContact O-CB 3.44Å; T13-L16 PolarHBondContact O-N 3.33Å; T13-V17 WeakPolarHBondContact O-CG2 3.4Å; T13-V17 PolarHBondContact O-N 3.31Å; T13-L51 HydrophobicContact CG2-CD1 3.52Å; T13-N54 HydrophobicContact CG2-CB 4.1Å; T13-I55 HydrophobicContact CG2-CG1 4.19Å; T13-L58 HydrophobicContact CG2-CD1 4.3Å; T13-L86 HydrophobicContact CG2-CD1 3.91Å; T13-L86 HydrophobicContact CG2-CD2 4.32Å
14C95.1Very high92Very high41 Ų4157 Ų5728%0.27729%0.293SS..Hα-helixtrans-60.5-41.3173.1-71.40000112.5Y10 D11 L16 V17 Q18Y10-C14 VanDerWaalsContact CE1-SG 3.54Å; Y10-C14 VanDerWaalsContact CZ-SG 3.5Å; Y10-C14 PolarHBondContact O-N 2.91Å; Y10-C14 PolarHBondContact O-SG 2.84Å; D11-C14 PolarHBondContact O-N 3.37Å; C14-L16 VanDerWaalsContact C-N 3.32Å; C14-L16 PolarHBondContact O-N 3.02Å; C14-V17 WeakPolarHBondContact O-CB 3.41Å; C14-V17 PolarHBondContact O-N 3.07Å; C14-Q18 PolarHBondContact O-N 2.93Å
15R96.3Very high92.1Very high187 Ų18760.8 Ų60.871%0.70631%0.309SS*.Hα-helixtrans-61.3-41.5174.2-69.6175.9-173.6-173.82111.8D11 A12 T13 Q18 E19D11-R15 WeakPolarHBondContact O-CG 3.29Å; D11-R15 PolarHBondContact O-N 3.47Å; A12-R15 PolarHBondContact O-N 2.86Å; T13-R15 VanDerWaalsContact C-N 3.35Å; T13-R15 PolarHBondContact O-N 2.96Å; R15-Q18 PolarHBondContact O-N 3.33Å; R15-E19 WeakPolarHBondContact O-CB 3.5Å; R15-E19 PolarHBondContact O-N 3.39Å
16L92.8Very high91.9Very high11 Ų1159.5 Ų59.56%0.05829%0.294CS..Hα-helixtrans-64.6-39.4176.5-176.362.7000112.1A12 T13 C14 Q18 E19 I20 K50 L51A12-L16 PolarHBondContact O-N 3.03Å; A12-L16 VanDerWaalsContact O-N 3.13Å; T13-L16 WeakPolarHBondContact O-CB 3.44Å; T13-L16 PolarHBondContact O-N 3.33Å; C14-L16 VanDerWaalsContact C-N 3.32Å; C14-L16 PolarHBondContact O-N 3.02Å; L16-Q18 VanDerWaalsContact C-N 3.32Å; L16-Q18 PolarHBondContact O-N 3.07Å; L16-E19 PolarHBondContact O-N 3.31Å; L16-I20 HydrophobicContact CD1-CD1 4.35Å; L16-I20 HydrophobicContact CD1-CG1 4.48Å; L16-I20 HydrophobicContact CG-CD1 3.99Å; L16-I20 WeakPolarHBondContact O-CD1 3.31Å; L16-I20 WeakPolarHBondContact O-CG1 3.48Å; L16-I20 PolarHBondContact O-N 3.34Å; L16-K50 HydrophobicContact CD2-CB 4.1Å; L16-K50 HydrophobicContact CD2-CD 4.08Å; L16-K50 HydrophobicContact CD2-CG 3.87Å; L16-L51 HydrophobicContact CD2-CB 4Å; L16-L51 HydrophobicContact CG-CB 4.49Å
17V91.7Very high91.5Very high15 Ų1559.3 Ų59.39%0.09129%0.293CS..Hα-helixtrans-58-46.3173.3168.40000110.9T13 C14 I20 A21 L51 L86 R89 L93T13-V17 WeakPolarHBondContact O-CG2 3.4Å; T13-V17 PolarHBondContact O-N 3.31Å; C14-V17 WeakPolarHBondContact O-CB 3.41Å; C14-V17 PolarHBondContact O-N 3.07Å; V17-I20 PolarHBondContact O-N 3.04Å; V17-A21 PolarHBondContact O-N 3.44Å; V17-L51 HydrophobicContact CG2-CD1 3.52Å; V17-L51 HydrophobicContact CG2-CD2 3.9Å; V17-L51 HydrophobicContact CG2-CG 4.38Å; V17-L86 HydrophobicContact CG2-CD2 3.99Å; V17-R89 HydrophobicContact CG1-CB 4.34Å; V17-L93 HydrophobicContact CG1-CD1 4.02Å
18Q94.6Very high91Very high118 Ų11858.4 Ų58.455%0.55129%0.288SS*.Hα-helixtrans-64.5-45.4178.6-176.3175.8-16.800111.7C14 R15 L16 I20 A21 E22C14-Q18 PolarHBondContact O-N 2.93Å; R15-Q18 PolarHBondContact O-N 3.33Å; L16-Q18 VanDerWaalsContact C-N 3.32Å; L16-Q18 PolarHBondContact O-N 3.07Å; Q18-I20 VanDerWaalsContact C-N 3.3Å; Q18-I20 PolarHBondContact O-N 3.17Å; Q18-A21 WeakPolarHBondContact O-CB 3.38Å; Q18-A21 PolarHBondContact O-N 3.18Å; Q18-A21 VanDerWaalsContact O-N 3.16Å; Q18-E22 WeakPolarHBondContact CG-OE1 3.14Å; Q18-E22 PolarHBondContact NE2-OE1 3Å; Q18-E22 WeakPolarHBondContact O-CG 3.21Å; Q18-E22 PolarHBondContact O-N 2.92Å
19E93.2Very high90.5Very high101 Ų10160.5 Ų60.547%0.47229%0.291SS..Hα-helixtrans-58.7-41.3176.5-174.6-171.8166.800111.8R15 L16 N23R15-E19 WeakPolarHBondContact O-CB 3.5Å; R15-E19 PolarHBondContact O-N 3.39Å; L16-E19 PolarHBondContact O-N 3.31Å; E19-N23 VanDerWaalsContact O-CB 3.32Å; E19-N23 WeakPolarHBondContact O-CB 3.37Å; E19-N23 VanDerWaalsContact O-CG 3.26Å; E19-N23 PolarHBondContact O-N 3.37Å; E19-N23 PolarHBondContact O-ND2 3.31Å
20I90.1Very high89.7Confident0 Ų060.4 Ų60.40%029%0.289CS..Hα-helixtrans-64.4-45.5176.1-67.9162.4000110.6L16 V17 Q18 E22 N23 I24 L44 S47 L48 L51 L93L16-I20 HydrophobicContact CD1-CD1 4.35Å; L16-I20 HydrophobicContact CD1-CG1 4.48Å; L16-I20 HydrophobicContact CG-CD1 3.99Å; L16-I20 WeakPolarHBondContact O-CD1 3.31Å; L16-I20 WeakPolarHBondContact O-CG1 3.48Å; L16-I20 PolarHBondContact O-N 3.34Å; V17-I20 PolarHBondContact O-N 3.04Å; Q18-I20 VanDerWaalsContact C-N 3.3Å; Q18-I20 PolarHBondContact O-N 3.17Å; I20-E22 PolarHBondContact O-N 3.17Å; I20-N23 PolarHBondContact O-N 3.26Å; I20-I24 HydrophobicContact CG2-CD1 3.96Å; I20-I24 HydrophobicContact CG2-CG1 4.43Å; I20-I24 VanDerWaalsContact O-CG1 3.31Å; I20-I24 WeakPolarHBondContact O-CG1 3.48Å; I20-I24 PolarHBondContact O-N 3.05Å; I20-L44 HydrophobicContact CG2-CD2 4.15Å; I20-S47 WeakPolarHBondContact CG1-OG 3.5Å; I20-L48 HydrophobicContact CD1-CD2 4.35Å; I20-L48 HydrophobicContact CG2-CD2 3.86Å; I20-L48 HydrophobicContact CG2-CG 4.16Å; I20-L51 HydrophobicContact CD1-CB 3.86Å; I20-L51 HydrophobicContact CD1-CD2 3.83Å; I20-L51 HydrophobicContact CD1-CG 4.42Å; I20-L93 HydrophobicContact CB-CD1 4.19Å; I20-L93 HydrophobicContact CG2-CB 4.34Å; I20-L93 HydrophobicContact CG2-CD1 3.91Å; I20-L93 HydrophobicContact CG2-CD2 4.3Å; I20-L93 HydrophobicContact CG2-CG 4.43Å
21A90.2Very high88.5Confident28 Ų2862.5 Ų62.523%0.23130%0.3CS..Hα-helixtrans-59.2-47.8178.200000111.4V17 Q18 N23 I24 H25 L93V17-A21 PolarHBondContact O-N 3.44Å; Q18-A21 WeakPolarHBondContact O-CB 3.38Å; Q18-A21 PolarHBondContact O-N 3.18Å; Q18-A21 VanDerWaalsContact O-N 3.16Å; A21-N23 PolarHBondContact O-N 3.03Å; A21-I24 PolarHBondContact O-N 3.01Å; A21-H25 PolarHBondContact O-CD2 2.87Å; A21-H25 PolarHBondContact O-N 3.37Å; A21-L93 HydrophobicContact CB-CD2 3.97Å
22E91.3Very high87.1Confident109 Ų10969.3 Ų69.351%0.50932%0.32SS..Hα-helixtrans-59.8-45.4176.8-72.5173.8-166.300111.7Q18 I20 I24 H25 E26Q18-E22 WeakPolarHBondContact CG-OE1 3.14Å; Q18-E22 PolarHBondContact NE2-OE1 3Å; Q18-E22 WeakPolarHBondContact O-CG 3.21Å; Q18-E22 PolarHBondContact O-N 2.92Å; I20-E22 PolarHBondContact O-N 3.17Å; E22-I24 VanDerWaalsContact C-N 3.32Å; E22-I24 PolarHBondContact O-N 2.91Å; E22-H25 WeakPolarHBondContact O-CB 3.37Å; E22-H25 PolarHBondContact O-N 3.45Å; E22-H25 VanDerWaalsContact O-N 3.14Å; E22-E26 PolarHBondContact O-N 3.29Å
23N87.5Confident86Confident52 Ų5272.2 Ų72.228%0.27833%0.333SS..Hα-helixtrans-63.5-35.3176.9-77.7-43.8000112.9E19 I20 A21 R27 L44E19-N23 VanDerWaalsContact O-CB 3.32Å; E19-N23 WeakPolarHBondContact O-CB 3.37Å; E19-N23 VanDerWaalsContact O-CG 3.26Å; E19-N23 PolarHBondContact O-N 3.37Å; E19-N23 PolarHBondContact O-ND2 3.31Å; I20-N23 PolarHBondContact O-N 3.26Å; A21-N23 PolarHBondContact O-N 3.03Å; N23-R27 VanDerWaalsContact O-CB 3.31Å; N23-R27 WeakPolarHBondContact O-CB 3.23Å; N23-R27 PolarHBondContact O-N 3.45Å; N23-L44 HydrophobicContact CB-CD2 3.52Å; N23-L44 HydrophobicContact CB-CG 4.09Å
24I85.9Confident84.2Confident3 Ų382.3 Ų82.32%0.01537%0.371CS..Hα-helixtrans-65-42.9173.3-71.3173.1000110.3I20 A21 E22 N28 L44 L93 T96 F97I20-I24 HydrophobicContact CG2-CD1 3.96Å; I20-I24 HydrophobicContact CG2-CG1 4.43Å; I20-I24 VanDerWaalsContact O-CG1 3.31Å; I20-I24 WeakPolarHBondContact O-CG1 3.48Å; I20-I24 PolarHBondContact O-N 3.05Å; A21-I24 PolarHBondContact O-N 3.01Å; E22-I24 VanDerWaalsContact C-N 3.32Å; E22-I24 PolarHBondContact O-N 2.91Å; I24-N28 PolarHBondContact O-N 3.43Å; I24-N28 PolarHBondContact O-ND2 3.11Å; I24-L44 HydrophobicContact CG1-CD1 4.19Å; I24-L44 HydrophobicContact CG1-CD2 3.67Å; I24-L93 HydrophobicContact CD1-CB 4.37Å; I24-L93 HydrophobicContact CD1-CD2 3.97Å; I24-T96 HydrophobicContact CG2-CG2 3.85Å; I24-F97 HydrophobicContact CD1-CB 4.22Å
25H87.4Confident82.7Confident134 Ų13482.1 Ų82.162%0.6238%0.376SS*.Hα-helixtrans-65-41.1176.7-72.8-63.7000112.6A21 E22 N28 R29A21-H25 PolarHBondContact O-CD2 2.87Å; A21-H25 PolarHBondContact O-N 3.37Å; E22-H25 WeakPolarHBondContact O-CB 3.37Å; E22-H25 PolarHBondContact O-N 3.45Å; E22-H25 VanDerWaalsContact O-N 3.14Å; H25-N28 WeakPolarHBondContact O-CB 3.36Å; H25-N28 PolarHBondContact O-N 3.39Å; H25-R29 PolarHBondContact O-N 3.35Å
26E85.9Confident81.2Confident72 Ų7279.3 Ų79.334%0.33638%0.375SS..Hα-helixtrans-68.9-40.7178.6-173.952.7-141.900111.4E22 N28 R29 Q30E22-E26 PolarHBondContact O-N 3.29Å; E26-N28 VanDerWaalsContact C-N 3.31Å; E26-N28 PolarHBondContact O-N 3.19Å; E26-R29 WeakPolarHBondContact O-CB 3.49Å; E26-R29 PolarHBondContact O-N 3.4Å; E26-R29 VanDerWaalsContact O-N 3.15Å; E26-R29 IonicContact OE2-NH1 3Å; E26-Q30 WeakPolarHBondContact O-CG 3.37Å; E26-Q30 PolarHBondContact O-N 3.2Å; E26-Q30 PolarHBondContact OE1-NE2 3.37Å
27R82.8Confident80.1Confident0 Ų080.2 Ų80.20%038%0.382CS..Hα-helixtrans-56.2-45.9170.5-179.7-151.451.558.5-2111.4N23 R29 Q30 Q31 P37 N41 L44 D100N23-R27 VanDerWaalsContact O-CB 3.31Å; N23-R27 WeakPolarHBondContact O-CB 3.23Å; N23-R27 PolarHBondContact O-N 3.45Å; R27-R29 VanDerWaalsContact C-N 3.28Å; R27-R29 PolarHBondContact O-N 3.45Å; R27-Q30 PolarHBondContact O-N 3.39Å; R27-Q30 VanDerWaalsContact O-N 3.15Å; R27-Q31 WeakPolarHBondContact O-CG 3.23Å; R27-Q31 PolarHBondContact O-N 3.49Å; R27-P37 HydrophobicContact CG-CB 4.18Å; R27-N41 WeakPolarHBondContact CD-OD1 3.41Å; R27-L44 HydrophobicContact CB-CD1 4.23Å; R27-D100 VanDerWaalsContact CZ-CG 3.41Å; R27-D100 IonicContact CZ-OD1 2.62Å; R27-D100 IonicContact CZ-OD2 2.92Å; R27-D100 IonicContact NE-OD2 2.84Å; R27-D100 VanDerWaalsContact NH1-CG 3.32Å; R27-D100 IonicContact NH1-OD1 3.92Å; R27-D100 IonicContact NH1-OD2 3.36Å; R27-D100 PolarHBondContact NH1-OD2 3.19Å; R27-D100 IonicContact NH2-OD1 3.91Å; R27-D100 PolarHBondContact NH2-OD1 3.08Å; R27-D100 IonicContact NH2-OD2 3.09Å; R27-D100 PolarHBondContact NH2-OD2 2.96Å
28N82.3Confident79.1Confident35 Ų3581.9 Ų81.919%0.18740%0.397CS..Hα-helixtrans-57.3-42.2176.8-87-34.6000112.2I24 H25 E26 R32 D100I24-N28 PolarHBondContact O-N 3.43Å; I24-N28 PolarHBondContact O-ND2 3.11Å; H25-N28 WeakPolarHBondContact O-CB 3.36Å; H25-N28 PolarHBondContact O-N 3.39Å; E26-N28 VanDerWaalsContact C-N 3.31Å; E26-N28 PolarHBondContact O-N 3.19Å; N28-R32 WeakPolarHBondContact O-CG 3.46Å; N28-R32 PolarHBondContact O-N 3.44Å; N28-D100 PolarHBondContact OD1-OD1 3.46Å
29R82.9Confident78Confident163 Ų16384.7 Ų84.762%0.61541%0.407SS*.Hα-helixtrans-65.3-39.8176.8-172.8-176.3-179.7-176.21112.2H25 E26 R27 R32 T33H25-R29 PolarHBondContact O-N 3.35Å; E26-R29 WeakPolarHBondContact O-CB 3.49Å; E26-R29 PolarHBondContact O-N 3.4Å; E26-R29 VanDerWaalsContact O-N 3.15Å; E26-R29 IonicContact OE2-NH1 3Å; R27-R29 VanDerWaalsContact C-N 3.28Å; R27-R29 PolarHBondContact O-N 3.45Å; R29-R32 PolarHBondContact O-N 2.88Å; R29-T33 PolarHBondContact O-N 3.44Å; R29-T33 PolarHBondContact O-OG1 2.98Å
30Q75.1Confident77.2Confident44 Ų4482.8 Ų82.821%0.20640%0.399CS..Hα-helixtrans-75.8-32.7-177.6-71.8-179.826.600113.8E26 R27 R32 T33 R34 G35 M40E26-Q30 WeakPolarHBondContact O-CG 3.37Å; E26-Q30 PolarHBondContact O-N 3.2Å; E26-Q30 PolarHBondContact OE1-NE2 3.37Å; R27-Q30 PolarHBondContact O-N 3.39Å; R27-Q30 VanDerWaalsContact O-N 3.15Å; Q30-R32 PolarHBondContact O-N 3.18Å; Q30-T33 CarbonylContact O-C 3.38Å; Q30-T33 PolarHBondContact O-N 3.33Å; Q30-T33 VanDerWaalsContact O-N 3.11Å; Q30-R34 PolarHBondContact O-N 3.14Å; Q30-G35 PolarHBondContact O-N 2.88Å; Q30-G35 VanDerWaalsContact O-N 3.1Å; Q30-M40 VanDerWaalsContact CD-CE 3.45Å; Q30-M40 VanDerWaalsContact NE2-CE 3.25Å; Q30-M40 PolarHBondContact NE2-SD 2.91Å; Q30-M40 PolarHBondContact OE1-SD 2.83Å
31Q68.7Low76.6Confident74 Ų7483.3 Ų83.335%0.34640%0.402SS..Hα-helixtrans-58.7-39.4169.8-76.5-179.9-7.600111.4R27 T33 P37 D100R27-Q31 WeakPolarHBondContact O-CG 3.23Å; R27-Q31 PolarHBondContact O-N 3.49Å; Q31-T33 VanDerWaalsContact C-N 3.32Å; Q31-T33 PolarHBondContact O-N 2.92Å; Q31-P37 HydrophobicContact CG-CB 4.24Å; Q31-P37 HydrophobicContact CG-CG 4.24Å; Q31-D100 PolarHBondContact NE2-OD2 2.94Å; Q31-D100 PolarHBondContact OE1-OD2 2.87Å
32R68.1Low75.8Confident222 Ų22288 Ų8884%0.83842%0.421SS*.Hα-helixtrans-68.9-30.5175.3-66.2176.4179.4170.4-0112.8N28 R29 Q30N28-R32 WeakPolarHBondContact O-CG 3.46Å; N28-R32 PolarHBondContact O-N 3.44Å; R29-R32 PolarHBondContact O-N 2.88Å; Q30-R32 PolarHBondContact O-N 3.18Å
33T70.1Confident75.2Confident107 Ų10786.8 Ų86.866%0.65642%0.421SS*.THydrogen-bonded Turntrans-92.110.2-176.9-44.40000113.4R29 Q30 Q31 G35R29-T33 PolarHBondContact O-N 3.44Å; R29-T33 PolarHBondContact O-OG1 2.98Å; Q30-T33 CarbonylContact O-C 3.38Å; Q30-T33 PolarHBondContact O-N 3.33Å; Q30-T33 VanDerWaalsContact O-N 3.11Å; Q31-T33 VanDerWaalsContact C-N 3.32Å; Q31-T33 PolarHBondContact O-N 2.92Å; T33-G35 VanDerWaalsContact C-N 3.31Å; T33-G35 PolarHBondContact O-N 3.41Å
34R57.3Low74.9Confident213 Ų21384.4 Ų84.480%0.80441%0.408SS*.THydrogen-bonded Turntrans64.526178.2-150.4-174.9-167.6173.52.8114.6Q30Q30-R34 PolarHBondContact O-N 3.14Å
35G63.5Low74.6Confident36 Ų3685.6 Ų85.637%0.37141%0.412SS..  trans-78.2161.9169.100000112Q30 T33 P37Q30-G35 PolarHBondContact O-N 2.88Å; Q30-G35 VanDerWaalsContact O-N 3.1Å; T33-G35 VanDerWaalsContact C-N 3.31Å; T33-G35 PolarHBondContact O-N 3.41Å; G35-P37 VanDerWaalsContact O-CD 3.23Å; G35-P37 WeakPolarHBondContact O-CD 3.22Å
36N63.7Low74.2Confident128 Ų12881.9 Ų81.968%0.68441%0.405SS*.  trans-85.4107.7173.7-177.2-2.3000110.5A38N36-A38 PolarHBondContact O-N 3.1Å; N36-A38 WeakPolarHBondContact OD1-CB 3.45Å; N36-A38 PolarHBondContact OD1-N 2.62Å; N36-A38 VanDerWaalsContact OD1-N 3.1Å
37P70.8Confident74.1Confident31 Ų3179 Ų7920%0.20139%0.392CS..THydrogen-bonded Turntrans-79.60.8-175.535-37.5000113.6R27 Q31 G35 K39 M40 N41R27-P37 HydrophobicContact CG-CB 4.18Å; Q31-P37 HydrophobicContact CG-CB 4.24Å; Q31-P37 HydrophobicContact CG-CG 4.24Å; G35-P37 VanDerWaalsContact O-CD 3.23Å; G35-P37 WeakPolarHBondContact O-CD 3.22Å; P37-K39 PolarHBondContact O-N 2.61Å; P37-M40 PolarHBondContact O-N 3.1Å; P37-N41 WeakPolarHBondContact O-CB 3.32Å; P37-N41 PolarHBondContact O-N 3.23Å; P37-N41 PolarHBondContact O-ND2 3.22Å
38A69.7Low74.1Confident50 Ų5079.2 Ų79.241%0.41339%0.393SS..Hα-helixtrans-58.9-42.1-171.700000113.6N36 N41 M42N36-A38 PolarHBondContact O-N 3.1Å; N36-A38 WeakPolarHBondContact OD1-CB 3.45Å; N36-A38 PolarHBondContact OD1-N 2.62Å; N36-A38 VanDerWaalsContact OD1-N 3.1Å; A38-N41 PolarHBondContact O-N 3.28Å; A38-M42 PolarHBondContact O-N 3.18Å; A38-M42 VanDerWaalsContact O-N 3.12Å
39K72.6Confident74.1Confident176 Ų17683.2 Ų83.277%0.76541%0.411SS*.Hα-helixtrans-64.9-44177.7-67.1-175.8179.9179.30111.4P37 M42 T43P37-K39 PolarHBondContact O-N 2.61Å; K39-M42 WeakPolarHBondContact O-CB 3.4Å; K39-M42 PolarHBondContact O-N 2.96Å; K39-T43 PolarHBondContact O-N 3.13Å; K39-T43 PolarHBondContact O-OG1 3.23Å
40M74.6Confident74.1Confident61 Ų6181 Ų8130%0.341%0.406SS..Hα-helixtrans-67.6-37.5178.9-69.3179.9-161.400112.4Q30 P37 M42 T43 L44Q30-M40 VanDerWaalsContact CD-CE 3.45Å; Q30-M40 VanDerWaalsContact NE2-CE 3.25Å; Q30-M40 PolarHBondContact NE2-SD 2.91Å; Q30-M40 PolarHBondContact OE1-SD 2.83Å; P37-M40 PolarHBondContact O-N 3.1Å; M40-M42 VanDerWaalsContact C-N 3.29Å; M40-M42 PolarHBondContact O-N 3.26Å; M40-T43 PolarHBondContact O-N 3.44Å; M40-L44 VanDerWaalsContact O-CB 3.28Å; M40-L44 WeakPolarHBondContact O-CB 3.43Å; M40-L44 WeakPolarHBondContact O-CG 3.31Å; M40-L44 PolarHBondContact O-N 3.12Å
41N77.7Confident74.7Confident12 Ų1278.9 Ų78.96%0.06440%0.396CS..Hα-helixtrans-62.4-36.3173.3-75-33.7000112.3R27 P37 A38 R45 F97R27-N41 WeakPolarHBondContact CD-OD1 3.41Å; P37-N41 WeakPolarHBondContact O-CB 3.32Å; P37-N41 PolarHBondContact O-N 3.23Å; P37-N41 PolarHBondContact O-ND2 3.22Å; A38-N41 PolarHBondContact O-N 3.28Å; N41-R45 VanDerWaalsContact O-CG 3.24Å; N41-R45 WeakPolarHBondContact O-CG 3.31Å; N41-R45 PolarHBondContact O-N 3.37Å; N41-R45 VanDerWaalsContact O-N 3.17Å; N41-F97 HydrophobicContact CB-CZ 4.46Å
42M73.9Confident75.3Confident127 Ų12777.9 Ų77.963%0.62639%0.39SS*.Hα-helixtrans-66.9-47.6174.8-164.171.979.700111.2A38 K39 M40 L44 R45 A46A38-M42 PolarHBondContact O-N 3.18Å; A38-M42 VanDerWaalsContact O-N 3.12Å; K39-M42 WeakPolarHBondContact O-CB 3.4Å; K39-M42 PolarHBondContact O-N 2.96Å; M40-M42 VanDerWaalsContact C-N 3.29Å; M40-M42 PolarHBondContact O-N 3.26Å; M42-L44 PolarHBondContact O-N 3.29Å; M42-R45 PolarHBondContact O-N 3.15Å; M42-A46 PolarHBondContact O-N 3.39Å; M42-A46 VanDerWaalsContact O-N 3.14Å
43T78.7Confident76.1Confident83 Ų8372.7 Ų72.751%0.50938%0.376SS..Hα-helixtrans-60.9-44.2177.6-55.20000111.9K39 M40 R45 A46 S47K39-T43 PolarHBondContact O-N 3.13Å; K39-T43 PolarHBondContact O-OG1 3.23Å; M40-T43 PolarHBondContact O-N 3.44Å; T43-R45 VanDerWaalsContact C-N 3.33Å; T43-R45 PolarHBondContact O-N 2.9Å; T43-A46 PolarHBondContact O-N 3.02Å; T43-S47 PolarHBondContact O-N 3.45Å; T43-S47 PolarHBondContact O-OG 3.47Å
44L81.8Confident76.9Confident1 Ų168.6 Ų68.61%0.00535%0.35CS..Hα-helixtrans-60.2-39.8177.2-83.9167.3000112.7I20 N23 I24 R27 M40 M42 S47 L48 F97I20-L44 HydrophobicContact CG2-CD2 4.15Å; N23-L44 HydrophobicContact CB-CD2 3.52Å; N23-L44 HydrophobicContact CB-CG 4.09Å; I24-L44 HydrophobicContact CG1-CD1 4.19Å; I24-L44 HydrophobicContact CG1-CD2 3.67Å; R27-L44 HydrophobicContact CB-CD1 4.23Å; M40-L44 VanDerWaalsContact O-CB 3.28Å; M40-L44 WeakPolarHBondContact O-CB 3.43Å; M40-L44 WeakPolarHBondContact O-CG 3.31Å; M40-L44 PolarHBondContact O-N 3.12Å; M42-L44 PolarHBondContact O-N 3.29Å; L44-S47 WeakPolarHBondContact CA-OG 3.39Å; L44-S47 PolarHBondContact O-N 2.77Å; L44-S47 PolarHBondContact O-OG 3.3Å; L44-L48 WeakPolarHBondContact O-CB 3.41Å; L44-L48 WeakPolarHBondContact O-CD1 3.31Å; L44-L48 VanDerWaalsContact O-CG 3.24Å; L44-L48 WeakPolarHBondContact O-CG 3.46Å; L44-L48 PolarHBondContact O-N 3.06Å; L44-F97 HydrophobicContact CB-CD2 4.13Å; L44-F97 HydrophobicContact CB-CE2 3.69Å; L44-F97 HydrophobicContact CB-CZ 4.3Å; L44-F97 HydrophobicContact CD1-CD2 3.99Å; L44-F97 HydrophobicContact CD1-CE2 3.84Å; L44-F97 HydrophobicContact CG-CE2 4.39Å
45R78.8Confident78.3Confident28 Ų2858.6 Ų58.611%0.10631%0.313CS..Hα-helixtrans-64.5-44.4175.3-72.3169.7-169.2138.81.6111.6N41 M42 T43 L48 Q49 F97N41-R45 VanDerWaalsContact O-CG 3.24Å; N41-R45 WeakPolarHBondContact O-CG 3.31Å; N41-R45 PolarHBondContact O-N 3.37Å; N41-R45 VanDerWaalsContact O-N 3.17Å; M42-R45 PolarHBondContact O-N 3.15Å; T43-R45 VanDerWaalsContact C-N 3.33Å; T43-R45 PolarHBondContact O-N 2.9Å; R45-L48 PolarHBondContact O-N 3.15Å; R45-Q49 WeakPolarHBondContact O-CG 3.47Å; R45-Q49 PolarHBondContact O-N 2.96Å; R45-F97 HydrophobicContact CG-CE1 3.72Å; R45-F97 HydrophobicContact CG-CZ 3.72Å
46A78.7Confident79.2Confident56 Ų5659 Ų5946%0.46331%0.306SS..Hα-helixtrans-64.2-41178.700000111.8M42 T43 Q49 K50M42-A46 PolarHBondContact O-N 3.39Å; M42-A46 VanDerWaalsContact O-N 3.14Å; T43-A46 PolarHBondContact O-N 3.02Å; A46-Q49 PolarHBondContact O-N 2.9Å; A46-K50 WeakPolarHBondContact O-CB 3.08Å; A46-K50 PolarHBondContact O-N 3.37Å
47S85.1Confident80.3Confident11 Ų1156.7 Ų56.78%0.07729%0.291CS..Hα-helixtrans-69.4-39.1177.556.60000112.6I20 T43 L44 Q49 K50 L51I20-S47 WeakPolarHBondContact CG1-OG 3.5Å; T43-S47 PolarHBondContact O-N 3.45Å; T43-S47 PolarHBondContact O-OG 3.47Å; L44-S47 WeakPolarHBondContact CA-OG 3.39Å; L44-S47 PolarHBondContact O-N 2.77Å; L44-S47 PolarHBondContact O-OG 3.3Å; S47-Q49 PolarHBondContact O-N 2.86Å; S47-K50 WeakPolarHBondContact O-CB 3.31Å; S47-K50 PolarHBondContact O-N 3.2Å; S47-L51 PolarHBondContact O-N 3.45Å
48L83.3Confident81.2Confident5 Ų555.2 Ų55.23%0.02628%0.282CS..Hα-helixtrans-60.8-41.7171.6-76.4165.6000112.1I20 L44 R45 L51 K52 L93 F97I20-L48 HydrophobicContact CD1-CD2 4.35Å; I20-L48 HydrophobicContact CG2-CD2 3.86Å; I20-L48 HydrophobicContact CG2-CG 4.16Å; L44-L48 WeakPolarHBondContact O-CB 3.41Å; L44-L48 WeakPolarHBondContact O-CD1 3.31Å; L44-L48 VanDerWaalsContact O-CG 3.24Å; L44-L48 WeakPolarHBondContact O-CG 3.46Å; L44-L48 PolarHBondContact O-N 3.06Å; R45-L48 PolarHBondContact O-N 3.15Å; L48-L51 PolarHBondContact O-N 3Å; L48-K52 PolarHBondContact O-N 3.04Å; L48-K52 VanDerWaalsContact O-N 3.08Å; L48-L93 HydrophobicContact CD2-CB 4.05Å; L48-F97 HydrophobicContact CD1-CB 4.15Å; L48-F97 HydrophobicContact CD1-CD1 3.92Å; L48-F97 HydrophobicContact CD1-CG 3.98Å
49Q80.7Confident82Confident119 Ų11953.5 Ų53.556%0.55626%0.264SS*.Hα-helixtrans-63-42.9173.9-75.8-177.5-29.300112.2R45 A46 S47 L51 K52 Q53R45-Q49 WeakPolarHBondContact O-CG 3.47Å; R45-Q49 PolarHBondContact O-N 2.96Å; A46-Q49 PolarHBondContact O-N 2.9Å; S47-Q49 PolarHBondContact O-N 2.86Å; Q49-L51 VanDerWaalsContact C-N 3.34Å; Q49-L51 PolarHBondContact O-N 2.85Å; Q49-K52 PolarHBondContact O-N 3.39Å; Q49-Q53 PolarHBondContact O-N 3.07Å
50K84.3Confident82.6Confident117 Ų11751.3 Ų51.351%0.50926%0.257SS..Hα-helixtrans-62.6-40.7176.1-173.3-180-179.7-1770111.8L16 A46 S47 Q53 N54L16-K50 HydrophobicContact CD2-CB 4.1Å; L16-K50 HydrophobicContact CD2-CD 4.08Å; L16-K50 HydrophobicContact CD2-CG 3.87Å; A46-K50 WeakPolarHBondContact O-CB 3.08Å; A46-K50 PolarHBondContact O-N 3.37Å; S47-K50 WeakPolarHBondContact O-CB 3.31Å; S47-K50 PolarHBondContact O-N 3.2Å; K50-Q53 PolarHBondContact O-N 3.26Å; K50-N54 PolarHBondContact O-N 3.41Å; K50-N54 PolarHBondContact O-OD1 3.17Å
51L86.1Confident83.1Confident0 Ų049.5 Ų49.50%025%0.25CS..Hα-helixtrans-58.4-49.7175.1174.559.7000110.8T13 L16 V17 I20 S47 L48 Q49 Q53 N54 I55 D90 L93T13-L51 HydrophobicContact CG2-CD1 3.52Å; L16-L51 HydrophobicContact CD2-CB 4Å; L16-L51 HydrophobicContact CG-CB 4.49Å; V17-L51 HydrophobicContact CG2-CD1 3.52Å; V17-L51 HydrophobicContact CG2-CD2 3.9Å; V17-L51 HydrophobicContact CG2-CG 4.38Å; I20-L51 HydrophobicContact CD1-CB 3.86Å; I20-L51 HydrophobicContact CD1-CD2 3.83Å; I20-L51 HydrophobicContact CD1-CG 4.42Å; S47-L51 PolarHBondContact O-N 3.45Å; L48-L51 PolarHBondContact O-N 3Å; Q49-L51 VanDerWaalsContact C-N 3.34Å; Q49-L51 PolarHBondContact O-N 2.85Å; L51-Q53 VanDerWaalsContact C-N 3.32Å; L51-Q53 PolarHBondContact O-N 2.92Å; L51-N54 PolarHBondContact O-N 3.46Å; L51-I55 HydrophobicContact CD1-CD1 3.89Å; L51-I55 HydrophobicContact CD1-CG1 4.13Å; L51-I55 HydrophobicContact CG-CD1 3.94Å; L51-I55 VanDerWaalsContact O-CG1 3.3Å; L51-I55 WeakPolarHBondContact O-CG1 3.29Å; L51-I55 PolarHBondContact O-N 3.35Å; L51-D90 HydrophobicContact CD2-CB 4.01Å; L51-D90 HydrophobicContact CG-CB 4.48Å; L51-L93 HydrophobicContact CD2-CD1 4.24Å
52K83.1Confident83.5Confident52 Ų5249.3 Ų49.323%0.22625%0.249CC..Hα-helixtrans-57.1-44.3176.7-176.4176.3-179.3172.80112.4L48 Q49 I55 N56 G156 L160L48-K52 PolarHBondContact O-N 3.04Å; L48-K52 VanDerWaalsContact O-N 3.08Å; Q49-K52 PolarHBondContact O-N 3.39Å; K52-I55 PolarHBondContact O-N 2.95Å; K52-N56 PolarHBondContact O-N 2.94Å; K52-N56 VanDerWaalsContact O-N 3.13Å; K52-G156 VanDerWaalsContact NZ-C 3.28Å; K52-G156 PolarHBondContact NZ-O 3.49Å; K52-L160 HydrophobicContact CD-CD1 4.43Å; K52-L160 VanDerWaalsContact CE-CD1 3.48Å; K52-L160 HydrophobicContact CG-CD1 4.35Å
53Q83.6Confident84Confident113 Ų11346.5 Ų46.553%0.52824%0.237SC..Hα-helixtrans-62.8-45.3177.3-175.2179.3-0.600111.9Q49 K50 L51 I55 N56 Q57Q49-Q53 PolarHBondContact O-N 3.07Å; K50-Q53 PolarHBondContact O-N 3.26Å; L51-Q53 VanDerWaalsContact C-N 3.32Å; L51-Q53 PolarHBondContact O-N 2.92Å; Q53-I55 PolarHBondContact O-N 2.95Å; Q53-N56 PolarHBondContact O-N 2.99Å; Q53-Q57 WeakPolarHBondContact O-CG 3.31Å; Q53-Q57 PolarHBondContact O-N 3.48Å
54N87.3Confident84.2Confident21 Ų2150.2 Ų50.211%0.11224%0.241CC..Hα-helixtrans-62.7-41.6178.9-75.65.4000112.2T13 K50 L51 N56 Q57 L58T13-N54 HydrophobicContact CG2-CB 4.1Å; K50-N54 PolarHBondContact O-N 3.41Å; K50-N54 PolarHBondContact O-OD1 3.17Å; L51-N54 PolarHBondContact O-N 3.46Å; N54-N56 VanDerWaalsContact C-N 3.3Å; N54-N56 PolarHBondContact O-N 2.89Å; N54-Q57 PolarHBondContact O-N 3.25Å; N54-L58 WeakPolarHBondContact O-CG 3.09Å; N54-L58 PolarHBondContact O-N 3.31Å
55I86.5Confident84.1Confident4 Ų451.4 Ų51.42%0.02125%0.248CC..Hα-helixtrans-60.7-41.5175.7-66.5170.5000110.4T13 L51 K52 Q53 L58 R59 V83 L86 V87 D90T13-I55 HydrophobicContact CG2-CG1 4.19Å; L51-I55 HydrophobicContact CD1-CD1 3.89Å; L51-I55 HydrophobicContact CD1-CG1 4.13Å; L51-I55 HydrophobicContact CG-CD1 3.94Å; L51-I55 VanDerWaalsContact O-CG1 3.3Å; L51-I55 WeakPolarHBondContact O-CG1 3.29Å; L51-I55 PolarHBondContact O-N 3.35Å; K52-I55 PolarHBondContact O-N 2.95Å; Q53-I55 PolarHBondContact O-N 2.95Å; I55-L58 PolarHBondContact O-N 3.5Å; I55-R59 VanDerWaalsContact CG2-NH1 3.29Å; I55-R59 WeakPolarHBondContact O-CG 3.24Å; I55-R59 PolarHBondContact O-N 3.2Å; I55-R59 VanDerWaalsContact O-N 3.08Å; I55-V83 HydrophobicContact CG2-CG1 4.3Å; I55-L86 HydrophobicContact CD1-CB 4.1Å; I55-L86 HydrophobicContact CG1-CB 4.17Å; I55-V87 HydrophobicContact CG2-CG2 3.52Å; I55-D90 HydrophobicContact CD1-CB 3.94Å
56N83.4Confident84.2Confident43 Ų4351.9 Ų51.923%0.2326%0.256CS..Hα-helixtrans-65.4-41.9176.2-71.1-13.5000112.2K52 Q53 N54 L58 R59 E60 L160K52-N56 PolarHBondContact O-N 2.94Å; K52-N56 VanDerWaalsContact O-N 3.13Å; Q53-N56 PolarHBondContact O-N 2.99Å; N54-N56 VanDerWaalsContact C-N 3.3Å; N54-N56 PolarHBondContact O-N 2.89Å; N56-L58 VanDerWaalsContact C-N 3.32Å; N56-L58 PolarHBondContact O-N 3.42Å; N56-R59 WeakPolarHBondContact O-CB 3.34Å; N56-R59 PolarHBondContact O-N 3.32Å; N56-R59 PolarHBondContact OD1-NH1 2.86Å; N56-E60 WeakPolarHBondContact O-CG 3.34Å; N56-E60 PolarHBondContact O-N 3.28Å; N56-L160 WeakPolarHBondContact OD1-CD2 3.42Å
57Q86.6Confident84Confident81 Ų8153.7 Ų53.738%0.37927%0.265SS..Hα-helixtrans-62-38.7174.7-71.5177.5-17.500112.4Q53 N54 R59 S61Q53-Q57 WeakPolarHBondContact O-CG 3.31Å; Q53-Q57 PolarHBondContact O-N 3.48Å; N54-Q57 PolarHBondContact O-N 3.25Å; Q57-R59 VanDerWaalsContact C-N 3.33Å; Q57-S61 WeakPolarHBondContact O-CB 3.36Å; Q57-S61 PolarHBondContact O-N 3.23Å
58L88.8Confident83.7Confident0 Ų056 Ų560%028%0.281CS..Hα-helixtrans-62.5-40.3174.8-76.3168.7000111.9W6 N9 Y10 T13 N54 I55 N56 L62 V83 L86W6-L58 HydrophobicContact CD2-CD2 4.24Å; W6-L58 HydrophobicContact CG-CD2 4.45Å; W6-L58 HydrophobicContact CZ2-CD2 4.29Å; W6-L58 PolarHBondContact NE1-O 2.83Å; N9-L58 HydrophobicContact CB-CD2 3.85Å; Y10-L58 HydrophobicContact CD2-CD1 4.47Å; T13-L58 HydrophobicContact CG2-CD1 4.3Å; N54-L58 WeakPolarHBondContact O-CG 3.09Å; N54-L58 PolarHBondContact O-N 3.31Å; I55-L58 PolarHBondContact O-N 3.5Å; N56-L58 VanDerWaalsContact C-N 3.32Å; N56-L58 PolarHBondContact O-N 3.42Å; L58-L62 VanDerWaalsContact O-CB 3.28Å; L58-L62 WeakPolarHBondContact O-CB 3.36Å; L58-L62 PolarHBondContact O-N 2.84Å; L58-V83 HydrophobicContact CB-CG2 4.29Å; L58-L86 HydrophobicContact CD1-CD1 3.92Å
59R86.1Confident83.1Confident13 Ų1366.3 Ų66.35%0.04932%0.32CS..Hα-helixtrans-64.9-50.2175.2-74176.4172.4131.4-10.5112.8I55 N56 Q57 S61 L62 L63 V83I55-R59 VanDerWaalsContact CG2-NH1 3.29Å; I55-R59 WeakPolarHBondContact O-CG 3.24Å; I55-R59 PolarHBondContact O-N 3.2Å; I55-R59 VanDerWaalsContact O-N 3.08Å; N56-R59 WeakPolarHBondContact O-CB 3.34Å; N56-R59 PolarHBondContact O-N 3.32Å; N56-R59 PolarHBondContact OD1-NH1 2.86Å; Q57-R59 VanDerWaalsContact C-N 3.33Å; R59-S61 VanDerWaalsContact C-N 3.28Å; R59-S61 PolarHBondContact O-N 3.25Å; R59-L62 PolarHBondContact O-N 3.3Å; R59-L63 WeakPolarHBondContact O-CG 3.44Å; R59-L63 PolarHBondContact O-N 2.81Å; R59-V83 HydrophobicContact CG-CG1 3.6Å
60E84.9Confident82.8Confident130 Ų13070.5 Ų70.561%0.60733%0.331SS*.Hα-helixtrans-61.8-40.6179.2-71.7172.1-167.700111.2N56 L63 R64N56-E60 WeakPolarHBondContact O-CG 3.34Å; N56-E60 PolarHBondContact O-N 3.28Å; E60-L63 PolarHBondContact O-N 3.21Å; E60-R64 WeakPolarHBondContact O-CB 3.15Å; E60-R64 PolarHBondContact O-N 3.42Å
61S86.4Confident82.6Confident23 Ų2366.6 Ų66.616%0.16132%0.315CS..Hα-helixtrans-64-44.6174.3-168.30000111.5Q57 R59 L63 R64 V65Q57-S61 WeakPolarHBondContact O-CB 3.36Å; Q57-S61 PolarHBondContact O-N 3.23Å; R59-S61 VanDerWaalsContact C-N 3.28Å; R59-S61 PolarHBondContact O-N 3.25Å; S61-L63 PolarHBondContact O-N 3.29Å; S61-R64 PolarHBondContact O-N 3.48Å; S61-V65 VanDerWaalsContact O-CG2 3.31Å; S61-V65 WeakPolarHBondContact O-CG2 3.28Å; S61-V65 PolarHBondContact O-N 3.41Å
62L85.9Confident82.4Confident8 Ų873.5 Ų73.54%0.04235%0.349CS..Hα-helixtrans-60.2-46.2176.4-178.359.9000111.2L58 R59 R64 V65 S66 I71 R79 Q80L58-L62 VanDerWaalsContact O-CB 3.28Å; L58-L62 WeakPolarHBondContact O-CB 3.36Å; L58-L62 PolarHBondContact O-N 2.84Å; R59-L62 PolarHBondContact O-N 3.3Å; L62-R64 PolarHBondContact O-N 2.99Å; L62-V65 PolarHBondContact O-N 3.45Å; L62-S66 VanDerWaalsContact O-CB 3.24Å; L62-S66 WeakPolarHBondContact O-CB 3.43Å; L62-S66 PolarHBondContact O-N 3.14Å; L62-S66 PolarHBondContact O-OG 3.19Å; L62-I71 HydrophobicContact CD1-CD1 3.96Å; L62-R79 HydrophobicContact CD1-CB 3.67Å; L62-R79 HydrophobicContact CD1-CG 4.41Å; L62-R79 HydrophobicContact CD2-CB 4.06Å; L62-Q80 HydrophobicContact CD2-CB 4.23Å
63L83.1Confident82.1Confident69 Ų6973.7 Ų73.736%0.36135%0.351SS..Hα-helixtrans-57.4-47.8175.1-77177.2000111.7R59 E60 S61 V65 S66 S67 Q167R59-L63 WeakPolarHBondContact O-CG 3.44Å; R59-L63 PolarHBondContact O-N 2.81Å; E60-L63 PolarHBondContact O-N 3.21Å; S61-L63 PolarHBondContact O-N 3.29Å; L63-V65 PolarHBondContact O-N 3.17Å; L63-S66 PolarHBondContact O-N 3.06Å; L63-S67 VanDerWaalsContact O-CB 3.28Å; L63-S67 WeakPolarHBondContact O-CB 3.24Å; L63-S67 PolarHBondContact O-N 3.01Å; L63-S67 PolarHBondContact O-OG 2.98Å; L63-Q167 HydrophobicContact CD2-CG 4.23Å
64R82.9Confident81.9Confident160 Ų16072.1 Ų72.160%0.60435%0.352SS*.Hα-helixtrans-63.4-40.8-179.3-170.1-178.775.9-114.50.2112.5E60 S61 L62 S67 S68E60-R64 WeakPolarHBondContact O-CB 3.15Å; E60-R64 PolarHBondContact O-N 3.42Å; S61-R64 PolarHBondContact O-N 3.48Å; L62-R64 PolarHBondContact O-N 2.99Å; R64-S67 PolarHBondContact O-OG 3.29Å; R64-S67 VanDerWaalsContact O-OG 3.13Å; R64-S68 WeakPolarHBondContact O-CB 3.4Å; R64-S68 PolarHBondContact O-N 2.98Å; R64-S68 PolarHBondContact O-OG 3.38Å
65V81.3Confident81.8Confident26 Ų2673.3 Ų73.316%0.15836%0.357CS..Hα-helixtrans-74.1-35.3179.4-179.70000111.1S61 L62 L63 S68 R70 I71S61-V65 VanDerWaalsContact O-CG2 3.31Å; S61-V65 WeakPolarHBondContact O-CG2 3.28Å; S61-V65 PolarHBondContact O-N 3.41Å; L62-V65 PolarHBondContact O-N 3.45Å; L63-V65 PolarHBondContact O-N 3.17Å; V65-S68 WeakPolarHBondContact CA-OG 3.24Å; V65-S68 PolarHBondContact O-OG 2.99Å; V65-R70 HydrophobicContact CG1-CB 3.84Å; V65-R70 PolarHBondContact O-N 3.33Å; V65-I71 HydrophobicContact CG1-CB 4.36Å; V65-I71 HydrophobicContact CG1-CD1 4.11Å; V65-I71 HydrophobicContact CG1-CG1 4.04Å; V65-I71 HydrophobicContact CG1-CG2 3.59Å
66S79.6Confident81.6Confident38 Ų3874 Ų7427%0.26636%0.363SS..Hα-helixtrans-69.7-45.7176.1-530000111.5L62 L63 S68 R69L62-S66 VanDerWaalsContact O-CB 3.24Å; L62-S66 WeakPolarHBondContact O-CB 3.43Å; L62-S66 PolarHBondContact O-N 3.14Å; L62-S66 PolarHBondContact O-OG 3.19Å; L63-S66 PolarHBondContact O-N 3.06Å; S66-S68 PolarHBondContact O-N 3.2Å; S66-R69 PolarHBondContact O-N 3.12Å
67S76.1Confident81.5Confident95 Ų9575.7 Ų75.766%0.66437%0.372SS*.Hα-helixtrans-65.1-29178.870.80000112.9L63 R64 R69L63-S67 VanDerWaalsContact O-CB 3.28Å; L63-S67 WeakPolarHBondContact O-CB 3.24Å; L63-S67 PolarHBondContact O-N 3.01Å; L63-S67 PolarHBondContact O-OG 2.98Å; R64-S67 PolarHBondContact O-OG 3.29Å; R64-S67 VanDerWaalsContact O-OG 3.13Å; S67-R69 VanDerWaalsContact C-N 3.26Å; S67-R69 PolarHBondContact O-N 3.29Å
68S78.4Confident81.5Confident59 Ų5977.7 Ų77.741%0.41338%0.376SS..THydrogen-bonded Turntrans-84.36.217556.20000113.9R64 V65 S66 R70R64-S68 WeakPolarHBondContact O-CB 3.4Å; R64-S68 PolarHBondContact O-N 2.98Å; R64-S68 PolarHBondContact O-OG 3.38Å; V65-S68 WeakPolarHBondContact CA-OG 3.24Å; V65-S68 PolarHBondContact O-OG 2.99Å; S66-S68 PolarHBondContact O-N 3.2Å; S68-R70 PolarHBondContact O-N 3.39Å; S68-R70 VanDerWaalsContact O-N 3.09Å
69R70.9Confident81.6Confident222 Ų22278.2 Ų78.284%0.83838%0.378SS*.THydrogen-bonded Turntrans4932-177.9-76.8-170.2-96.8-152.5-6.6113.8S66 S67 I71S66-R69 PolarHBondContact O-N 3.12Å; S67-R69 VanDerWaalsContact C-N 3.26Å; S67-R69 PolarHBondContact O-N 3.29Å; R69-I71 VanDerWaalsContact C-N 3.32Å
70R73.5Confident81.5Confident206 Ų20680.2 Ų80.278%0.77739%0.388SS*.  trans-81-13.6179.3-76.2-172.7-178.1-153.91.8113.5V65 S68V65-R70 HydrophobicContact CG1-CB 3.84Å; V65-R70 PolarHBondContact O-N 3.33Å; S68-R70 PolarHBondContact O-N 3.39Å; S68-R70 VanDerWaalsContact O-N 3.09Å
71I79.9Confident81.5Confident36 Ų3678.9 Ų78.919%0.18539%0.385CS..SBendtrans-128152.3178.559.4176.7000109.8L62 V65 R69 A76L62-I71 HydrophobicContact CD1-CD1 3.96Å; V65-I71 HydrophobicContact CG1-CB 4.36Å; V65-I71 HydrophobicContact CG1-CD1 4.11Å; V65-I71 HydrophobicContact CG1-CG1 4.04Å; V65-I71 HydrophobicContact CG1-CG2 3.59Å; R69-I71 VanDerWaalsContact C-N 3.32Å; I71-A76 HydrophobicContact CD1-CB 3.76Å; I71-A76 HydrophobicContact CG1-CB 4.29Å
72M81.3Confident81.7Confident145 Ų14579.4 Ų79.471%0.71439%0.386SS*.  trans-69.3151.7172.2-69.317574.600110.6S74 E75 A76M72-S74 VanDerWaalsContact C-N 3.33Å; M72-S74 PolarHBondContact O-N 2.86Å; M72-E75 PolarHBondContact O-N 3.36Å; M72-E75 VanDerWaalsContact O-N 3.08Å; M72-A76 PolarHBondContact O-N 3.02Å
73Q77Confident81.8Confident56 Ų5679 Ų7926%0.26238%0.384SS..Hα-helixtrans-51.4-49.6177.9-168.2100.4-18.500112.3E75 A76 D77 I174 L178Q73-E75 PolarHBondContact O-N 3.16Å; Q73-A76 CarbonylContact O-C 3.59Å; Q73-A76 WeakPolarHBondContact O-CA 3.5Å; Q73-A76 WeakPolarHBondContact O-CB 3.48Å; Q73-A76 PolarHBondContact O-N 3.39Å; Q73-D77 PolarHBondContact O-N 3.22Å; Q73-I174 PolarHBondContact NE2-O 3.48Å; Q73-L178 HydrophobicContact CB-CD1 3.87Å; Q73-L178 HydrophobicContact CG-CD1 3.74Å; Q73-L178 VanDerWaalsContact NE2-CD1 3.28Å
74S79.3Confident81.7Confident79 Ų7978.3 Ų78.355%0.55238%0.38SS*.Hα-helixtrans-60.2-32.5-179.155.40000113.1M72 R78M72-S74 VanDerWaalsContact C-N 3.33Å; M72-S74 PolarHBondContact O-N 2.86Å; S74-R78 VanDerWaalsContact O-CB 3.31Å; S74-R78 WeakPolarHBondContact O-CB 3.45Å; S74-R78 PolarHBondContact O-N 3.32Å
75E85.1Confident81.7Confident47 Ų4774.6 Ų74.622%0.2237%0.373CS..Hα-helixtrans-78-33.6174.7178.962-170.800111.4M72 Q73 R78 R79M72-E75 PolarHBondContact O-N 3.36Å; M72-E75 VanDerWaalsContact O-N 3.08Å; Q73-E75 PolarHBondContact O-N 3.16Å; E75-R78 IonicContact OE1-NH1 3.94Å; E75-R78 PolarHBondContact OE1-NH1 2.86Å; E75-R78 VanDerWaalsContact OE1-NH1 3.09Å; E75-R78 IonicContact OE2-CZ 3.14Å; E75-R78 IonicContact OE2-NH1 2.66Å; E75-R78 PolarHBondContact OE2-NH1 3.14Å; E75-R79 WeakPolarHBondContact O-CB 3.48Å; E75-R79 VanDerWaalsContact O-CG 3.23Å; E75-R79 WeakPolarHBondContact O-CG 3.28Å; E75-R79 PolarHBondContact O-N 3.48Å; E75-R79 IonicContact OE1-CZ 2.81Å; E75-R79 IonicContact OE1-NE 3.45Å; E75-R79 PolarHBondContact OE1-NE 3.49Å; E75-R79 IonicContact OE1-NH2 3.98Å; E75-R79 PolarHBondContact OE1-NH2 3.03Å
76A84.1Confident82Confident17 Ų1773.5 Ų73.514%0.1437%0.366CS..Hα-helixtrans-62.8-46.1171.600000111.2I71 M72 Q73 R79 Q80I71-A76 HydrophobicContact CD1-CB 3.76Å; I71-A76 HydrophobicContact CG1-CB 4.29Å; M72-A76 PolarHBondContact O-N 3.02Å; Q73-A76 CarbonylContact O-C 3.59Å; Q73-A76 WeakPolarHBondContact O-CA 3.5Å; Q73-A76 WeakPolarHBondContact O-CB 3.48Å; Q73-A76 PolarHBondContact O-N 3.39Å; A76-R79 PolarHBondContact O-N 2.86Å; A76-Q80 WeakPolarHBondContact O-CB 3.23Å; A76-Q80 PolarHBondContact O-N 3.5Å
77D80.8Confident82.2Confident79 Ų7972.3 Ų72.342%0.42236%0.357SS..Hα-helixtrans-62.5-44.5176.7-65.6-32000111.6Q73 R79 Q80 N81Q73-D77 PolarHBondContact O-N 3.22Å; D77-R79 VanDerWaalsContact C-N 3.33Å; D77-R79 PolarHBondContact O-N 2.92Å; D77-Q80 WeakPolarHBondContact O-CB 3.33Å; D77-Q80 PolarHBondContact O-N 3.47Å; D77-N81 PolarHBondContact O-N 2.94Å; D77-N81 PolarHBondContact O-ND2 3.25Å
78R87Confident82.4Confident124 Ų12472 Ų7247%0.46835%0.351SS..Hα-helixtrans-57-46.9174.1178175.1164.7-92.6-9111.3S74 E75 Q80 N81 L82S74-R78 VanDerWaalsContact O-CB 3.31Å; S74-R78 WeakPolarHBondContact O-CB 3.45Å; S74-R78 PolarHBondContact O-N 3.32Å; E75-R78 IonicContact OE1-NH1 3.94Å; E75-R78 PolarHBondContact OE1-NH1 2.86Å; E75-R78 VanDerWaalsContact OE1-NH1 3.09Å; E75-R78 IonicContact OE2-CZ 3.14Å; E75-R78 IonicContact OE2-NH1 2.66Å; E75-R78 PolarHBondContact OE2-NH1 3.14Å; R78-Q80 VanDerWaalsContact C-N 3.33Å; R78-N81 PolarHBondContact O-N 2.85Å; R78-L82 WeakPolarHBondContact O-CG 3.49Å; R78-L82 PolarHBondContact O-N 2.95Å
79R89.7Confident82.6Confident10 Ų1075 Ų754%0.03835%0.353CS..Hα-helixtrans-66.5-34.4178.1-72.7179.7-169.7-1550.3112.8D4 W6 L62 E75 A76 D77 L82 V83D4-R79 IonicContact OD1-NH1 3.65Å; D4-R79 IonicContact OD2-CZ 3.64Å; D4-R79 IonicContact OD2-NH1 2.98Å; D4-R79 PolarHBondContact OD2-NH1 2.86Å; D4-R79 IonicContact OD2-NH2 2.84Å; D4-R79 PolarHBondContact OD2-NH2 3.23Å; W6-R79 HydrophobicContact CD2-CG 4.4Å; W6-R79 HydrophobicContact CE3-CG 3.92Å; W6-R79 HydrophobicContact CH2-CB 3.52Å; W6-R79 HydrophobicContact CH2-CG 3.61Å; W6-R79 HydrophobicContact CZ2-CB 3.73Å; W6-R79 HydrophobicContact CZ2-CG 4.08Å; W6-R79 HydrophobicContact CZ3-CB 4.01Å; W6-R79 HydrophobicContact CZ3-CG 3.52Å; L62-R79 HydrophobicContact CD1-CB 3.67Å; L62-R79 HydrophobicContact CD1-CG 4.41Å; L62-R79 HydrophobicContact CD2-CB 4.06Å; E75-R79 WeakPolarHBondContact O-CB 3.48Å; E75-R79 VanDerWaalsContact O-CG 3.23Å; E75-R79 WeakPolarHBondContact O-CG 3.28Å; E75-R79 PolarHBondContact O-N 3.48Å; E75-R79 IonicContact OE1-CZ 2.81Å; E75-R79 IonicContact OE1-NE 3.45Å; E75-R79 PolarHBondContact OE1-NE 3.49Å; E75-R79 IonicContact OE1-NH2 3.98Å; E75-R79 PolarHBondContact OE1-NH2 3.03Å; A76-R79 PolarHBondContact O-N 2.86Å; D77-R79 VanDerWaalsContact C-N 3.33Å; D77-R79 PolarHBondContact O-N 2.92Å; R79-L82 PolarHBondContact O-N 3.04Å; R79-V83 WeakPolarHBondContact O-CG2 3.49Å; R79-V83 PolarHBondContact O-N 3.08Å; R79-V83 VanDerWaalsContact O-N 3.08Å
80Q85.3Confident83.2Confident55 Ų5564.8 Ų64.826%0.25732%0.316SS..Hα-helixtrans-62.5-48.1174.9-176.656.940.900110.9L62 A76 D77 R78 L82 V83 D84L62-Q80 HydrophobicContact CD2-CB 4.23Å; A76-Q80 WeakPolarHBondContact O-CB 3.23Å; A76-Q80 PolarHBondContact O-N 3.5Å; D77-Q80 WeakPolarHBondContact O-CB 3.33Å; D77-Q80 PolarHBondContact O-N 3.47Å; R78-Q80 VanDerWaalsContact C-N 3.33Å; Q80-L82 VanDerWaalsContact C-N 3.3Å; Q80-L82 PolarHBondContact O-N 3.14Å; Q80-V83 WeakPolarHBondContact O-CB 3.08Å; Q80-V83 PolarHBondContact O-N 3.41Å; Q80-V83 VanDerWaalsContact O-N 3.08Å; Q80-D84 PolarHBondContact NE2-OD1 3.37Å; Q80-D84 PolarHBondContact NE2-OD2 3.29Å; Q80-D84 VanDerWaalsContact NE2-OD2 3.12Å; Q80-D84 PolarHBondContact O-N 3.37Å
81N84.9Confident83.5Confident102 Ų10260.6 Ų60.655%0.54530%0.303SS..Hα-helixtrans-57.6-42.1175.4-68.7-27.9000112.2D77 R78 V83 D84 D85D77-N81 PolarHBondContact O-N 2.94Å; D77-N81 PolarHBondContact O-ND2 3.25Å; R78-N81 PolarHBondContact O-N 2.85Å; N81-V83 VanDerWaalsContact C-N 3.32Å; N81-V83 PolarHBondContact O-N 3.4Å; N81-D84 PolarHBondContact O-N 3.13Å; N81-D85 PolarHBondContact O-N 3.33Å
82L89.5Confident83.6Confident34 Ų3465 Ų6518%0.17832%0.323CS..Hα-helixtrans-62.6-37.4176.9-67.8174.6000112.7W6 Y10 R78 R79 Q80 L86W6-L82 HydrophobicContact CH2-CB 4.46Å; W6-L82 HydrophobicContact CH2-CD1 4.47Å; W6-L82 HydrophobicContact CZ3-CD1 4.38Å; Y10-L82 HydrophobicContact CD2-CB 4.33Å; Y10-L82 HydrophobicContact CE1-CD1 4.49Å; Y10-L82 HydrophobicContact CE2-CB 3.64Å; Y10-L82 HydrophobicContact CE2-CG 4.45Å; Y10-L82 WeakPolarHBondContact OH-CD2 3.21Å; R78-L82 WeakPolarHBondContact O-CG 3.49Å; R78-L82 PolarHBondContact O-N 2.95Å; R79-L82 PolarHBondContact O-N 3.04Å; Q80-L82 VanDerWaalsContact C-N 3.3Å; Q80-L82 PolarHBondContact O-N 3.14Å; L82-L86 WeakPolarHBondContact O-CG 3.42Å; L82-L86 PolarHBondContact O-N 3.34Å
83V88.8Confident83.8Confident0 Ų059 Ų590%029%0.293CS..Hα-helixtrans-69.2-40.6175.2168.90000110.9W6 I55 L58 R59 R79 Q80 N81 D85 L86 V87W6-V83 HydrophobicContact CH2-CG2 4.28Å; W6-V83 HydrophobicContact CZ2-CG2 3.77Å; I55-V83 HydrophobicContact CG2-CG1 4.3Å; L58-V83 HydrophobicContact CB-CG2 4.29Å; R59-V83 HydrophobicContact CG-CG1 3.6Å; R79-V83 WeakPolarHBondContact O-CG2 3.49Å; R79-V83 PolarHBondContact O-N 3.08Å; R79-V83 VanDerWaalsContact O-N 3.08Å; Q80-V83 WeakPolarHBondContact O-CB 3.08Å; Q80-V83 PolarHBondContact O-N 3.41Å; Q80-V83 VanDerWaalsContact O-N 3.08Å; N81-V83 VanDerWaalsContact C-N 3.32Å; N81-V83 PolarHBondContact O-N 3.4Å; V83-D85 VanDerWaalsContact C-N 3.32Å; V83-D85 PolarHBondContact O-N 3.08Å; V83-L86 WeakPolarHBondContact O-CB 3.48Å; V83-L86 PolarHBondContact O-N 3.35Å; V83-V87 HydrophobicContact CG1-CG2 4.39Å; V83-V87 WeakPolarHBondContact O-CG2 3.46Å; V83-V87 PolarHBondContact O-N 3.24Å
84D80.4Confident84Confident54 Ų5457.3 Ų57.329%0.28929%0.286SS..Hα-helixtrans-66-35.7178.8-69.2-29.5000112.1Q80 N81 V87 T88Q80-D84 PolarHBondContact NE2-OD1 3.37Å; Q80-D84 PolarHBondContact NE2-OD2 3.29Å; Q80-D84 VanDerWaalsContact NE2-OD2 3.12Å; Q80-D84 PolarHBondContact O-N 3.37Å; N81-D84 PolarHBondContact O-N 3.13Å; D84-V87 PolarHBondContact O-N 3.47Å; D84-T88 PolarHBondContact O-N 3.03Å; D84-T88 PolarHBondContact O-OG1 3.4Å
85D82.8Confident83.9Confident83 Ų8356.5 Ų56.544%0.44429%0.285SS..Hα-helixtrans-60.5-45.6169.6-82.2-3.2000112.2N81 V83 V87 T88 R89N81-D85 PolarHBondContact O-N 3.33Å; V83-D85 VanDerWaalsContact C-N 3.32Å; V83-D85 PolarHBondContact O-N 3.08Å; D85-V87 PolarHBondContact O-N 3.5Å; D85-T88 PolarHBondContact O-N 3.49Å; D85-R89 WeakPolarHBondContact O-CG 3.47Å; D85-R89 PolarHBondContact O-N 2.93Å
86L87.8Confident83.7Confident2 Ų257.4 Ų57.41%0.0129%0.293CS..Hα-helixtrans-61.2-36.2177.2-74.9175.9000112Y10 T13 V17 I55 L58 L82 V83 R89 D90Y10-L86 HydrophobicContact CD2-CD1 3.61Å; Y10-L86 HydrophobicContact CD2-CG 4.46Å; Y10-L86 HydrophobicContact CE2-CD1 3.48Å; Y10-L86 VanDerWaalsContact CE2-CD1 3.48Å; Y10-L86 HydrophobicContact CE2-CD2 4.4Å; Y10-L86 HydrophobicContact CE2-CG 3.84Å; T13-L86 HydrophobicContact CG2-CD1 3.91Å; T13-L86 HydrophobicContact CG2-CD2 4.32Å; V17-L86 HydrophobicContact CG2-CD2 3.99Å; I55-L86 HydrophobicContact CD1-CB 4.1Å; I55-L86 HydrophobicContact CG1-CB 4.17Å; L58-L86 HydrophobicContact CD1-CD1 3.92Å; L82-L86 WeakPolarHBondContact O-CG 3.42Å; L82-L86 PolarHBondContact O-N 3.34Å; V83-L86 WeakPolarHBondContact O-CB 3.48Å; V83-L86 PolarHBondContact O-N 3.35Å; L86-R89 PolarHBondContact O-N 3.12Å; L86-D90 PolarHBondContact O-N 2.86Å
87V84.2Confident83.4Confident13 Ų1357 Ų578%0.07929%0.288CS..Hα-helixtrans-72.4-39.2-179.3173.70000111.2I55 V83 D84 D85 R89 D90 K91 I164I55-V87 HydrophobicContact CG2-CG2 3.52Å; V83-V87 HydrophobicContact CG1-CG2 4.39Å; V83-V87 WeakPolarHBondContact O-CG2 3.46Å; V83-V87 PolarHBondContact O-N 3.24Å; D84-V87 PolarHBondContact O-N 3.47Å; D85-V87 PolarHBondContact O-N 3.5Å; V87-R89 VanDerWaalsContact C-N 3.3Å; V87-D90 PolarHBondContact O-N 2.97Å; V87-K91 WeakPolarHBondContact O-CG 3.44Å; V87-K91 PolarHBondContact O-N 2.98Å; V87-I164 HydrophobicContact CG1-CD1 4.35Å
88T80.1Confident83.2Confident89 Ų8955.5 Ų55.555%0.54628%0.278SS..Hα-helixtrans-61.8-43.4172.9-58.40000110.3D84 D85 K91 Q92D84-T88 PolarHBondContact O-N 3.03Å; D84-T88 PolarHBondContact O-OG1 3.4Å; D85-T88 PolarHBondContact O-N 3.49Å; T88-K91 PolarHBondContact O-N 2.95Å; T88-Q92 PolarHBondContact O-N 3.23Å
89R82.2Confident82.1Confident121 Ų12151.4 Ų51.446%0.45727%0.274SS..Hα-helixtrans-64-43174.7-73.8-168.1168.598.8-1.8113.1V17 D85 L86 V87 K91 Q92 L93V17-R89 HydrophobicContact CG1-CB 4.34Å; D85-R89 WeakPolarHBondContact O-CG 3.47Å; D85-R89 PolarHBondContact O-N 2.93Å; L86-R89 PolarHBondContact O-N 3.12Å; V87-R89 VanDerWaalsContact C-N 3.3Å; R89-K91 VanDerWaalsContact C-N 3.34Å; R89-K91 PolarHBondContact O-N 3.47Å; R89-Q92 PolarHBondContact O-N 2.94Å; R89-L93 WeakPolarHBondContact O-CB 3.32Å; R89-L93 WeakPolarHBondContact O-CG 3.43Å; R89-L93 PolarHBondContact O-N 3.41Å
90D83.8Confident80.5Confident8 Ų852.7 Ų52.74%0.04328%0.282CS..Hα-helixtrans-57.3-46.2174.7174.576.2000111.7L51 I55 L86 V87 Q92 L93 N94L51-D90 HydrophobicContact CD2-CB 4.01Å; L51-D90 HydrophobicContact CG-CB 4.48Å; I55-D90 HydrophobicContact CD1-CB 3.94Å; L86-D90 PolarHBondContact O-N 2.86Å; V87-D90 PolarHBondContact O-N 2.97Å; D90-Q92 PolarHBondContact O-N 3.22Å; D90-L93 PolarHBondContact O-N 3.19Å; D90-N94 WeakPolarHBondContact O-CB 3.49Å; D90-N94 PolarHBondContact O-N 2.93Å; D90-N94 PolarHBondContact O-ND2 2.93Å; D90-N94 VanDerWaalsContact O-ND2 3.17Å; D90-N94 PolarHBondContact OD1-ND2 3.28Å; D90-N94 PolarHBondContact OD2-ND2 3.41Å
91K80.3Confident79.2Confident119 Ų11952 Ų5252%0.51728%0.281SS..Hα-helixtrans-60.1-44175.2-71.9176.4-178.7-179.10111.9V87 T88 R89 N94 A95V87-K91 WeakPolarHBondContact O-CG 3.44Å; V87-K91 PolarHBondContact O-N 2.98Å; T88-K91 PolarHBondContact O-N 2.95Å; R89-K91 VanDerWaalsContact C-N 3.34Å; R89-K91 PolarHBondContact O-N 3.47Å; K91-N94 PolarHBondContact O-N 3.37Å; K91-A95 WeakPolarHBondContact O-CB 3.42Å; K91-A95 PolarHBondContact O-N 3.47Å
92Q82Confident77.6Confident127 Ų12751.9 Ų51.959%0.59328%0.284SS*.Hα-helixtrans-64.7-43.7178.6-174.7-179.61.500112.3T88 R89 D90 A95 T96T88-Q92 PolarHBondContact O-N 3.23Å; R89-Q92 PolarHBondContact O-N 2.94Å; D90-Q92 PolarHBondContact O-N 3.22Å; Q92-A95 PolarHBondContact O-N 3.07Å; Q92-T96 WeakPolarHBondContact O-CB 3.44Å; Q92-T96 PolarHBondContact O-N 3.4Å; Q92-T96 PolarHBondContact O-OG1 3.2Å
93L84.4Confident75.1Confident19 Ų1956.6 Ų56.610%0.09931%0.306CS..Hα-helixtrans-65.1-42.6177.3-70.3172.6000111.3V17 I20 A21 I24 L48 L51 R89 D90 T96 F97V17-L93 HydrophobicContact CG1-CD1 4.02Å; I20-L93 HydrophobicContact CB-CD1 4.19Å; I20-L93 HydrophobicContact CG2-CB 4.34Å; I20-L93 HydrophobicContact CG2-CD1 3.91Å; I20-L93 HydrophobicContact CG2-CD2 4.3Å; I20-L93 HydrophobicContact CG2-CG 4.43Å; A21-L93 HydrophobicContact CB-CD2 3.97Å; I24-L93 HydrophobicContact CD1-CB 4.37Å; I24-L93 HydrophobicContact CD1-CD2 3.97Å; L48-L93 HydrophobicContact CD2-CB 4.05Å; L51-L93 HydrophobicContact CD2-CD1 4.24Å; R89-L93 WeakPolarHBondContact O-CB 3.32Å; R89-L93 WeakPolarHBondContact O-CG 3.43Å; R89-L93 PolarHBondContact O-N 3.41Å; D90-L93 PolarHBondContact O-N 3.19Å; L93-T96 PolarHBondContact O-N 2.94Å; L93-F97 VanDerWaalsContact O-CB 3.31Å; L93-F97 WeakPolarHBondContact O-CB 3.3Å; L93-F97 PolarHBondContact O-N 3.2Å
94N82.4Confident73Confident21 Ų2161.8 Ų61.811%0.11234%0.339CS..Hα-helixtrans-61.5-43.5174-86.2-49.2000112.1D90 K91 F97 K98D90-N94 WeakPolarHBondContact O-CB 3.49Å; D90-N94 PolarHBondContact O-N 2.93Å; D90-N94 PolarHBondContact O-ND2 2.93Å; D90-N94 VanDerWaalsContact O-ND2 3.17Å; D90-N94 PolarHBondContact OD1-ND2 3.28Å; D90-N94 PolarHBondContact OD2-ND2 3.41Å; K91-N94 PolarHBondContact O-N 3.37Å; N94-F97 PolarHBondContact O-N 3.37Å; N94-K98 WeakPolarHBondContact O-CB 3.46Å; N94-K98 WeakPolarHBondContact O-CG 3.42Å; N94-K98 PolarHBondContact O-N 2.94Å
95A76.4Confident71.1Confident63 Ų6364.8 Ų64.852%0.52135%0.352SS..Hα-helixtrans-62.9-43.1176.200000111.8K91 Q92 K98 G99K91-A95 WeakPolarHBondContact O-CB 3.42Å; K91-A95 PolarHBondContact O-N 3.47Å; Q92-A95 PolarHBondContact O-N 3.07Å; A95-K98 PolarHBondContact O-N 3.48Å; A95-G99 PolarHBondContact O-N 2.88Å
96T80.2Confident69.4Low65 Ų6564.4 Ų64.440%0.39935%0.354SS..Hα-helixtrans-66-40178.3-53.10000111.4I24 Q92 L93 D100I24-T96 HydrophobicContact CG2-CG2 3.85Å; Q92-T96 WeakPolarHBondContact O-CB 3.44Å; Q92-T96 PolarHBondContact O-N 3.4Å; Q92-T96 PolarHBondContact O-OG1 3.2Å; L93-T96 PolarHBondContact O-N 2.94Å; T96-D100 WeakPolarHBondContact O-CB 3.45Å; T96-D100 PolarHBondContact O-N 3.18Å
97F79.5Confident67.5Low8 Ų867.5 Ų67.54%0.03538%0.375CS..Hα-helixtrans-66.5-46.7175.5178.9-107000111.9I24 N41 L44 R45 L48 L93 N94 V101I24-F97 HydrophobicContact CD1-CB 4.22Å; N41-F97 HydrophobicContact CB-CZ 4.46Å; L44-F97 HydrophobicContact CB-CD2 4.13Å; L44-F97 HydrophobicContact CB-CE2 3.69Å; L44-F97 HydrophobicContact CB-CZ 4.3Å; L44-F97 HydrophobicContact CD1-CD2 3.99Å; L44-F97 HydrophobicContact CD1-CE2 3.84Å; L44-F97 HydrophobicContact CG-CE2 4.39Å; R45-F97 HydrophobicContact CG-CE1 3.72Å; R45-F97 HydrophobicContact CG-CZ 3.72Å; L48-F97 HydrophobicContact CD1-CB 4.15Å; L48-F97 HydrophobicContact CD1-CD1 3.92Å; L48-F97 HydrophobicContact CD1-CG 3.98Å; L93-F97 VanDerWaalsContact O-CB 3.31Å; L93-F97 WeakPolarHBondContact O-CB 3.3Å; L93-F97 PolarHBondContact O-N 3.2Å; N94-F97 PolarHBondContact O-N 3.37Å; F97-V101 HydrophobicContact CE1-CG2 4.4Å; F97-V101 HydrophobicContact CE2-CG2 4.22Å; F97-V101 HydrophobicContact CZ-CG2 4.15Å; F97-V101 VanDerWaalsContact O-CG2 3.23Å; F97-V101 WeakPolarHBondContact O-CG2 3.42Å; F97-V101 PolarHBondContact O-N 3.46Å
98K75.5Confident65.8Low49 Ų4975.8 Ų75.821%0.21341%0.405CS..Hα-helixtrans-68-48.7180-75-174.5179.3-171.20112.5N94 A95 D100 V101 T102 D154N94-K98 WeakPolarHBondContact O-CB 3.46Å; N94-K98 WeakPolarHBondContact O-CG 3.42Å; N94-K98 PolarHBondContact O-N 2.94Å; A95-K98 PolarHBondContact O-N 3.48Å; K98-D100 PolarHBondContact O-N 3.1Å; K98-V101 PolarHBondContact O-N 3.09Å; K98-V101 VanDerWaalsContact O-N 3.07Å; K98-T102 PolarHBondContact O-N 3.07Å; K98-T102 PolarHBondContact O-OG1 3.2Å; K98-D154 IonicContact NZ-OD1 2.96Å; K98-D154 PolarHBondContact NZ-OD1 3.38Å; K98-D154 IonicContact NZ-OD2 2.61Å; K98-D154 PolarHBondContact NZ-OD2 3.26Å
99G63.5Low64.3Low37 Ų3775.1 Ų75.138%0.38140%0.404SS..Hα-helixtrans-59.6-27.8-177.600000113.1A95 Q103A95-G99 PolarHBondContact O-N 2.88Å; G99-Q103 WeakPolarHBondContact O-CB 3.47Å; G99-Q103 WeakPolarHBondContact O-CG 3.34Å; G99-Q103 PolarHBondContact O-N 3.08Å
100D57.3Low62.9Low38 Ų3874.3 Ų74.320%0.20341%0.413CS..Hα-helixtrans-85.1-34.1175.1-172.693.4000113.6R27 N28 Q31 T96 K98R27-D100 VanDerWaalsContact CZ-CG 3.41Å; R27-D100 IonicContact CZ-OD1 2.62Å; R27-D100 IonicContact CZ-OD2 2.92Å; R27-D100 IonicContact NE-OD2 2.84Å; R27-D100 VanDerWaalsContact NH1-CG 3.32Å; R27-D100 IonicContact NH1-OD1 3.92Å; R27-D100 IonicContact NH1-OD2 3.36Å; R27-D100 PolarHBondContact NH1-OD2 3.19Å; R27-D100 IonicContact NH2-OD1 3.91Å; R27-D100 PolarHBondContact NH2-OD1 3.08Å; R27-D100 IonicContact NH2-OD2 3.09Å; R27-D100 PolarHBondContact NH2-OD2 2.96Å; N28-D100 PolarHBondContact OD1-OD1 3.46Å; Q31-D100 PolarHBondContact NE2-OD2 2.94Å; Q31-D100 PolarHBondContact OE1-OD2 2.87Å; T96-D100 WeakPolarHBondContact O-CB 3.45Å; T96-D100 PolarHBondContact O-N 3.18Å; K98-D100 PolarHBondContact O-N 3.1Å
101V56.8Low61.4Low39 Ų3980.6 Ų80.624%0.23645%0.445CS..Hα-helixtrans-69-34.8174.1171.20000111.8F97 K98F97-V101 HydrophobicContact CE1-CG2 4.4Å; F97-V101 HydrophobicContact CE2-CG2 4.22Å; F97-V101 HydrophobicContact CZ-CG2 4.15Å; F97-V101 VanDerWaalsContact O-CG2 3.23Å; F97-V101 WeakPolarHBondContact O-CG2 3.42Å; F97-V101 PolarHBondContact O-N 3.46Å; K98-V101 PolarHBondContact O-N 3.09Å; K98-V101 VanDerWaalsContact O-N 3.07Å
102T51.3Low60.1Low100 Ų10082.7 Ų82.761%0.61346%0.459SS*.Hα-helixtrans-88.1-12-179.853.30000114.2K98 P104K98-T102 PolarHBondContact O-N 3.07Å; K98-T102 PolarHBondContact O-OG1 3.2Å; T102-P104 WeakPolarHBondContact O-CD 3.17Å
103Q38.2Very low58.8Low134 Ų13480.6 Ų80.663%0.62646%0.464SS*.  trans-102.481.8168.4-69.8-149.515.700111.7G99 E105G99-Q103 WeakPolarHBondContact O-CB 3.47Å; G99-Q103 WeakPolarHBondContact O-CG 3.34Å; G99-Q103 PolarHBondContact O-N 3.08Å; Q103-E105 VanDerWaalsContact C-N 3.31Å; Q103-E105 PolarHBondContact O-N 3.42Å
104P44.5Very low56.9Low108 Ų10883.1 Ų83.170%0.70149%0.494SS*.  trans-66.3102.5148.229.2-24.4000106T102 P106T102-P104 WeakPolarHBondContact O-CD 3.17Å; P104-P106 VanDerWaalsContact O-N 3.09Å
105E40.3Very low55.3Low118 Ų11886.6 Ų86.655%0.55153%0.526SS*.  trans-6.4101.5167-93.3-77.8160.300113.5Q103 S107 R108Q103-E105 VanDerWaalsContact C-N 3.31Å; Q103-E105 PolarHBondContact O-N 3.42Å; E105-S107 PolarHBondContact O-N 3.42Å; E105-S107 WeakPolarHBondContact OE2-CB 3.45Å; E105-S107 PolarHBondContact OE2-OG 3.42Å; E105-R108 PolarHBondContact O-N 3.2Å
106P47.2Very low53.8Low75 Ų7587.1 Ų87.149%0.48754%0.538SS..Hα-helixtrans-58.8-19.7176.422.6-31.7000111.8P104 R108 S109 T110P104-P106 VanDerWaalsContact O-N 3.09Å; P106-R108 PolarHBondContact O-N 3.08Å; P106-S109 PolarHBondContact O-N 3.19Å; P106-S109 PolarHBondContact O-OG 3.35Å; P106-T110 PolarHBondContact O-N 2.9Å; P106-T110 PolarHBondContact O-OG1 3.47Å
107S47.1Very low52.1Low66 Ų6688.4 Ų88.446%0.46256%0.555SS.*Hα-helixtrans-58-28.2173.1-43.80000113.1E105 L111E105-S107 PolarHBondContact O-N 3.42Å; E105-S107 WeakPolarHBondContact OE2-CB 3.45Å; E105-S107 PolarHBondContact OE2-OG 3.42Å; S107-L111 VanDerWaalsContact O-CD1 3.29Å; S107-L111 WeakPolarHBondContact O-CD1 3.45Å; S107-L111 VanDerWaalsContact O-CG 3.24Å; S107-L111 WeakPolarHBondContact O-CG 3.48Å
108R49Very low50.2Low187 Ų18797.7 Ų97.771%0.70660%0.598SS**Hα-helixtrans-85.6-29.5-176.4-147.2179.2173.7101.35.2113.1E105 P106 M112E105-R108 PolarHBondContact O-N 3.2Å; P106-R108 PolarHBondContact O-N 3.08Å; R108-M112 PolarHBondContact O-N 3.25Å
109S48.1Very low48.7Very low76 Ų7699.4 Ų99.453%0.53163%0.63SS.*Hα-helixtrans-77.5-34.617542.20000112P106 L111 M112 A113P106-S109 PolarHBondContact O-N 3.19Å; P106-S109 PolarHBondContact O-OG 3.35Å; S109-L111 VanDerWaalsContact C-N 3.3Å; S109-L111 PolarHBondContact O-N 2.97Å; S109-M112 PolarHBondContact O-N 3.45Å; S109-A113 PolarHBondContact O-N 3.21Å; S109-A113 VanDerWaalsContact O-N 3.17Å
110T52.3Low47.3Very low103 Ų103101 Ų10163%0.63265%0.647SS**Hα-helixtrans-68.1-29.6174.4-37.60000112.5P106P106-T110 PolarHBondContact O-N 2.9Å; P106-T110 PolarHBondContact O-OG1 3.47Å
111L52.6Low46.7Very low140 Ų140104.9 Ų104.973%0.73368%0.684SS**Hα-helixtrans-78.7-20.2176.7-71.8169.6000114.4S107 S109S107-L111 VanDerWaalsContact O-CD1 3.29Å; S107-L111 WeakPolarHBondContact O-CD1 3.45Å; S107-L111 VanDerWaalsContact O-CG 3.24Å; S107-L111 WeakPolarHBondContact O-CG 3.48Å; S109-L111 VanDerWaalsContact C-N 3.3Å; S109-L111 PolarHBondContact O-N 2.97Å
112M54.1Low45.9Very low164 Ų164106.7 Ų106.781%0.80870%0.703SS**Hα-helixtrans-90.4-21172.9-85.6-83.8-98.900112.9R108 S109 G114R108-M112 PolarHBondContact O-N 3.25Å; S109-M112 PolarHBondContact O-N 3.45Å; M112-G114 VanDerWaalsContact C-N 3.29Å
113A53.5Low45.7Very low83 Ų83108.8 Ų108.869%0.68672%0.715SS**THydrogen-bonded Turntrans-78.1-12.7176.300000113.4S109S109-A113 PolarHBondContact O-N 3.21Å; S109-A113 VanDerWaalsContact O-N 3.17Å
114G45.7Very low45.8Very low72 Ų72107.6 Ų107.674%0.74271%0.713SS**THydrogen-bonded Turntrans-85-3.1-179.500000115.9M112M112-G114 VanDerWaalsContact C-N 3.29Å
115A48.6Very low45.9Very low93 Ų93108.4 Ų108.477%0.76972%0.718SS**SBendtrans-122.944.7-171.300000113.4
116G45.4Very low46.1Very low75 Ų75113.5 Ų113.577%0.77373%0.733SS**  trans-145.153.3-173.500000115.1
117A44.6Very low46.1Very low92 Ų92117.2 Ų117.276%0.7675%0.748SS**SBendtrans-151.672.3164.500000110.9
118E37.7Very low46.2Very low202 Ų202119 Ų11994%0.94476%0.756SS**SBendtrans170.9143.9136.5-97.8176.5113.500110.6
119G44Very low45.9Very low85 Ų85117.5 Ų117.588%0.87676%0.756SS**  trans-69.1160.6-161.500000116.4
120G34Very low45.6Very low72 Ų72119.3 Ų119.374%0.74276%0.756SS**  trans154.7114.2168.100000111.5A122G120-A122 PolarHBondContact O-N 2.94Å
121A46Very low45.5Very low119 Ų119118.3 Ų118.398%0.98375%0.751SS**  trans-61.6102.3170.200000109.9
122A38.7Very low45.5Very low76 Ų76118.4 Ų118.463%0.62875%0.748SS**  trans-121.6111.7167.800000108.4G120 N124G120-A122 PolarHBondContact O-N 2.94Å; A122-N124 PolarHBondContact O-N 2.95Å
123V47.7Very low45.3Very low144 Ų144119.5 Ų119.587%0.87375%0.751SS**  trans-60.9103.4166.8175.50000106.9P125V123-P125 VanDerWaalsContact O-CD 3.25Å; V123-P125 WeakPolarHBondContact O-CD 3.42Å
124N41.7Very low45.1Very low110 Ų110118.1 Ų118.159%0.58874%0.735SS**  trans-70.9119.8180-84.2-56.5000110.5A122 W126A122-N124 PolarHBondContact O-N 2.95Å; N124-W126 PolarHBondContact O-N 2.96Å; N124-W126 VanDerWaalsContact O-N 3.07Å
125P44.6Very low45Very low124 Ų124123.5 Ų123.581%0.80573%0.732SS**THydrogen-bonded Turntrans-69.40.6176.9-20.234.7000115V123V123-P125 VanDerWaalsContact O-CD 3.25Å; V123-P125 WeakPolarHBondContact O-CD 3.42Å
126W45.9Very low45Very low226 Ų226122.6 Ų122.686%0.85673%0.732SS**THydrogen-bonded Turntrans-98.915.6-178.8-73.395.3000113.9N124 V128N124-W126 PolarHBondContact O-N 2.96Å; N124-W126 VanDerWaalsContact O-N 3.07Å; W126-V128 PolarHBondContact O-N 3.41Å
127L47.7Very low45.2Very low153 Ų153124.8 Ų124.880%0.80173%0.725SS**  trans-72.580.9167.4-120.7141000108.2H129L127-H129 PolarHBondContact O-N 2.91Å; L127-H129 VanDerWaalsContact O-N 3.09Å
128V48Very low45.1Very low104 Ų104122.3 Ų122.363%0.6371%0.709SS**  trans-45.5117.1166.8174.30000107.1W126 E130W126-V128 PolarHBondContact O-N 3.41Å; V128-E130 PolarHBondContact O-N 3.15Å
129H42.2Very low45.4Very low154 Ų154121 Ų12171%0.71370%0.7SS**  trans-51.4113.7177-154.6-77.1000108.4L127L127-H129 PolarHBondContact O-N 2.91Å; L127-H129 VanDerWaalsContact O-N 3.09Å
130E42.2Very low45.5Very low114 Ų114120.8 Ų120.853%0.53369%0.685SS.*  trans-63.4128.5172.6-148.3-171.5-173.600107.2V128 E132V128-E130 PolarHBondContact O-N 3.15Å; E130-E132 PolarHBondContact O-N 3.36Å
131P51Low46.1Very low82 Ų82119.9 Ų119.953%0.53267%0.67SS.*  trans-62.3135.1174.521.9-28.4000109.1E133 T134P131-E133 PolarHBondContact O-N 3.24Å; P131-T134 PolarHBondContact O-N 3.17Å; P131-T134 PolarHBondContact O-OG1 3.31Å; P131-T134 VanDerWaalsContact O-OG1 3.05Å
132E51.3Low46.4Very low143 Ų143118.5 Ų118.567%0.66865%0.645SS**G310 helixtrans-57.6-16.7-167.5-68.8-147.3133.600114.9E130 T134 R135E130-E132 PolarHBondContact O-N 3.36Å; E132-T134 VanDerWaalsContact C-N 3.27Å; E132-T134 PolarHBondContact O-N 2.87Å; E132-R135 WeakPolarHBondContact O-CB 3.4Å; E132-R135 PolarHBondContact O-N 3.4Å
133E51Low46.8Very low186 Ų186120.9 Ų120.987%0.86964%0.642SS**G310 helixtrans-74.7-13.4178.2-64.3171.2163.100113.7P131P131-E133 PolarHBondContact O-N 3.24Å
134T48.2Very low46.8Very low55 Ų55121 Ų12134%0.33763%0.633SS.*G310 helixtrans-101.8-4.3178.4-8.50000113P131 E132 G136 L137P131-T134 PolarHBondContact O-N 3.17Å; P131-T134 PolarHBondContact O-OG1 3.31Å; P131-T134 VanDerWaalsContact O-OG1 3.05Å; E132-T134 VanDerWaalsContact C-N 3.27Å; E132-T134 PolarHBondContact O-N 2.87Å; T134-G136 VanDerWaalsContact C-N 3.35Å; T134-G136 PolarHBondContact O-N 3.18Å; T134-L137 PolarHBondContact O-N 3.04Å
135R44.1Very low47Very low185 Ų185122.3 Ų122.370%0.69864%0.635SS**THydrogen-bonded Turntrans-75.783.2-172.9-155.5175.6176.5157.52.1110.4E132E132-R135 WeakPolarHBondContact O-CB 3.4Å; E132-R135 PolarHBondContact O-N 3.4Å
136G49.3Very low47Very low73 Ų73119.2 Ų119.275%0.75361%0.61SS**THydrogen-bonded Turntrans136.5-6.5174.400000116.2T134T134-G136 VanDerWaalsContact C-N 3.35Å; T134-G136 PolarHBondContact O-N 3.18Å
137L49.5Very low46.9Very low122 Ų122113.4 Ų113.464%0.63959%0.592SS**  trans-98.294.6172.9-66.9175.8000109.2T134 F139T134-L137 PolarHBondContact O-N 3.04Å; L137-F139 PolarHBondContact O-N 3.21Å
138G41.9Very low46.6Very low40 Ų40112.2 Ų112.241%0.41258%0.583SS.*  trans-54.2132.6-179.400000112S140 A141G138-S140 PolarHBondContact O-N 3.41Å; G138-A141 PolarHBondContact O-N 3.37Å
139F44.8Very low46.5Very low175 Ų175110.6 Ų110.677%0.76857%0.57SS**Hα-helixtrans-44.5-27173.2178.4-105000113.8L137 K143L137-F139 PolarHBondContact O-N 3.21Å; F139-K143 WeakPolarHBondContact O-CB 3.36Å; F139-K143 PolarHBondContact O-N 3.33Å
140S46.1Very low46.7Very low80 Ų80105 Ų10556%0.55955%0.545SS*.Hα-helixtrans-66.7-41.9173.451.40000114.1G138 K143 Q144G138-S140 PolarHBondContact O-N 3.41Å; S140-K143 PolarHBondContact O-N 3.46Å; S140-Q144 WeakPolarHBondContact O-CB 3.45Å; S140-Q144 PolarHBondContact O-N 3.28Å
141A47.2Very low46.9Very low52 Ų52105.6 Ų105.643%0.4355%0.547SS..Hα-helixtrans-70.1-39.8-175.500000112.3G138 K143 Q144 Q145G138-A141 PolarHBondContact O-N 3.37Å; A141-K143 VanDerWaalsContact C-N 3.33Å; A141-Q144 PolarHBondContact O-N 3.16Å; A141-Q145 WeakPolarHBondContact O-CB 3.44Å; A141-Q145 PolarHBondContact O-N 2.86Å
142I50.6Low46.6Very low90 Ų90106.3 Ų106.346%0.46255%0.55SS.*Hα-helixtrans-66-38.3174.5-63174000110.5Q146I142-Q146 WeakPolarHBondContact O-CB 3.48Å; I142-Q146 WeakPolarHBondContact O-CG 3.38Å; I142-Q146 PolarHBondContact O-N 2.85Å
143K47.1Very low46.2Very low127 Ų127100.9 Ų100.955%0.55253%0.525SS*.Hα-helixtrans-68.6-39.3176.5-170.5179-179.5-1780112.3F139 S140 A141 Q146 Q147F139-K143 WeakPolarHBondContact O-CB 3.36Å; F139-K143 PolarHBondContact O-N 3.33Å; S140-K143 PolarHBondContact O-N 3.46Å; A141-K143 VanDerWaalsContact C-N 3.33Å; K143-Q146 PolarHBondContact O-N 3.46Å; K143-Q147 PolarHBondContact O-N 3.27Å
144Q48.2Very low46Very low146 Ų14695.5 Ų95.568%0.68250%0.502SS*.Hα-helixtrans-69.2-39.8179.2-137.8170.9-1.500111.7S140 A141 Q146 Q147 H148S140-Q144 WeakPolarHBondContact O-CB 3.45Å; S140-Q144 PolarHBondContact O-N 3.28Å; A141-Q144 PolarHBondContact O-N 3.16Å; Q144-Q146 VanDerWaalsContact C-N 3.35Å; Q144-Q147 PolarHBondContact O-N 3.23Å; Q144-H148 PolarHBondContact O-N 2.9Å
145Q45.5Very low46Very low137 Ų13796.4 Ų96.464%0.6452%0.515SS*.Hα-helixtrans-67.4-35.3172.9-173.7149.8-20.300112.3A141 I149A141-Q145 WeakPolarHBondContact O-CB 3.44Å; A141-Q145 PolarHBondContact O-N 2.86Å; Q145-I149 HydrophobicContact CG-CD1 3.92Å; Q145-I149 WeakPolarHBondContact O-CD1 3.43Å; Q145-I149 VanDerWaalsContact O-CG1 3.31Å; Q145-I149 WeakPolarHBondContact O-CG1 3.33Å; Q145-I149 PolarHBondContact O-N 3.21Å
146Q45.8Very low46Very low60 Ų6088.8 Ų88.828%0.2849%0.494SS..Hα-helixtrans-63.2-41.3170.9-80.5-176-17.400112.1I142 K143 Q144 I150I142-Q146 WeakPolarHBondContact O-CB 3.48Å; I142-Q146 WeakPolarHBondContact O-CG 3.38Å; I142-Q146 PolarHBondContact O-N 2.85Å; K143-Q146 PolarHBondContact O-N 3.46Å; Q144-Q146 VanDerWaalsContact C-N 3.35Å; Q146-I150 WeakPolarHBondContact O-CD1 3.41Å; Q146-I150 WeakPolarHBondContact O-CG1 3.43Å; Q146-I150 PolarHBondContact O-N 2.93Å
147Q43.8Very low45.9Very low103 Ų10387.8 Ų87.848%0.48147%0.471SS..Hα-helixtrans-68.3-44-178.3-163.56624.700113K143 Q144 I149 I150 E151K143-Q147 PolarHBondContact O-N 3.27Å; Q144-Q147 PolarHBondContact O-N 3.23Å; Q147-I149 VanDerWaalsContact C-N 3.3Å; Q147-I149 PolarHBondContact O-N 2.97Å; Q147-I150 WeakPolarHBondContact O-CB 3.41Å; Q147-I150 PolarHBondContact O-N 3.43Å; Q147-E151 PolarHBondContact O-N 2.88Å
148H40.1Very low45.7Very low129 Ų12988 Ų8860%0.59747%0.473SS*.Hα-helixtrans-66.4-31-179.8-174.7-63.9000112.7Q144 V152Q144-H148 PolarHBondContact O-N 2.9Å; H148-V152 WeakPolarHBondContact O-CG2 3.37Å
149I46.3Very low46Very low70 Ų7089 Ų8936%0.35948%0.478SS..Hα-helixtrans-77.7-24.3177.3-66.6169.1000111.6Q145 Q147 Q153Q145-I149 HydrophobicContact CG-CD1 3.92Å; Q145-I149 WeakPolarHBondContact O-CD1 3.43Å; Q145-I149 VanDerWaalsContact O-CG1 3.31Å; Q145-I149 WeakPolarHBondContact O-CG1 3.33Å; Q145-I149 PolarHBondContact O-N 3.21Å; Q147-I149 VanDerWaalsContact C-N 3.3Å; Q147-I149 PolarHBondContact O-N 2.97Å; I149-Q153 PolarHBondContact O-NE2 2.95Å
150I47.3Very low46.2Very low36 Ų3682 Ų8219%0.18545%0.448CS..Hα-helixtrans-72.1-40.9177.1-71.3162.5000111Q146 Q147 V152 Q153Q146-I150 WeakPolarHBondContact O-CD1 3.41Å; Q146-I150 WeakPolarHBondContact O-CG1 3.43Å; Q146-I150 PolarHBondContact O-N 2.93Å; Q147-I150 WeakPolarHBondContact O-CB 3.41Å; Q147-I150 PolarHBondContact O-N 3.43Å; I150-V152 VanDerWaalsContact C-N 3.34Å; I150-V152 PolarHBondContact O-N 3.03Å; I150-Q153 PolarHBondContact O-N 3.31Å
151E45.5Very low46.2Very low126 Ų12680.7 Ų80.759%0.58944%0.442SS*.Hα-helixtrans-63.9-36.7177.5-76.9177.3168.900112.8Q147 Q153 D154 A155Q147-E151 PolarHBondContact O-N 2.88Å; E151-Q153 PolarHBondContact O-N 3.43Å; E151-D154 PolarHBondContact O-N 3.02Å; E151-A155 PolarHBondContact O-N 2.65Å
152V45.8Very low46.2Very low98 Ų9880 Ų8059%0.59444%0.437SS*.Hα-helixtrans-66.6-25.5176.9176.90000112.2H148 I150H148-V152 WeakPolarHBondContact O-CG2 3.37Å; I150-V152 VanDerWaalsContact C-N 3.34Å; I150-V152 PolarHBondContact O-N 3.03Å
153Q41.7Very low45.9Very low29 Ų2978.7 Ų78.714%0.13643%0.433CS..Hα-helixtrans-76.7-30.2178-72.9173.449.900113.1I149 I150 E151I149-Q153 PolarHBondContact O-NE2 2.95Å; I150-Q153 PolarHBondContact O-N 3.31Å; E151-Q153 PolarHBondContact O-N 3.43Å
154D46.6Very low46Very low72 Ų7274.9 Ų74.939%0.38542%0.418SS..Hα-helixtrans-81.3-37.4-178.6-79.2-25.9000113K98 E151 G156 L157K98-D154 IonicContact NZ-OD1 2.96Å; K98-D154 PolarHBondContact NZ-OD1 3.38Å; K98-D154 IonicContact NZ-OD2 2.61Å; K98-D154 PolarHBondContact NZ-OD2 3.26Å; E151-D154 PolarHBondContact O-N 3.02Å; D154-G156 PolarHBondContact O-N 3.13Å; D154-G156 VanDerWaalsContact O-N 3.13Å; D154-L157 PolarHBondContact O-N 3.47Å
155A48.3Very low46Very low75 Ų7571.3 Ų71.362%0.6241%0.409SS*.Hα-helixtrans-60.3-26.5173.500000112.8E151E151-A155 PolarHBondContact O-N 2.65Å
156G44.4Very low46.1Very low25 Ų2572.6 Ų72.626%0.25841%0.408SS..Hα-helixtrans-83.9-8.517500000115.3K52 D154K52-G156 VanDerWaalsContact NZ-C 3.28Å; K52-G156 PolarHBondContact NZ-O 3.49Å; D154-G156 PolarHBondContact O-N 3.13Å; D154-G156 VanDerWaalsContact O-N 3.13Å
157L46.3Very low46.4Very low51 Ų5171.4 Ų71.427%0.26740%0.402SS..Hα-helixtrans-87.2-33.8177.3-79.1168.8000111.8D154 L160 A161D154-L157 PolarHBondContact O-N 3.47Å; L157-L160 WeakPolarHBondContact O-CB 3.4Å; L157-L160 PolarHBondContact O-N 3.36Å; L157-A161 PolarHBondContact O-N 3.45Å
158D47Very low46.9Very low127 Ų12773.6 Ų73.668%0.67941%0.41SS*.Hα-helixtrans-70.5-34177-77-18.7000112.9L160 A161 A162D158-L160 PolarHBondContact O-N 2.85Å; D158-A161 PolarHBondContact O-N 2.88Å; D158-A162 PolarHBondContact O-N 2.73Å; D158-A162 VanDerWaalsContact O-N 3.12Å
159A48.4Very low47.3Very low62 Ų6271.9 Ų71.951%0.51241%0.405SS..Hα-helixtrans-61-30.617200000112.1V163A159-V163 VanDerWaalsContact O-CG2 3.24Å; A159-V163 WeakPolarHBondContact O-CG2 3.45Å; A159-V163 PolarHBondContact O-N 2.82Å
160L47.4Very low47.5Very low27 Ų2773.8 Ų73.814%0.14141%0.414CS..Hα-helixtrans-76.9-38.5175.5-75.5178000112.6K52 N56 L157 D158 A162 V163 I164K52-L160 HydrophobicContact CD-CD1 4.43Å; K52-L160 VanDerWaalsContact CE-CD1 3.48Å; K52-L160 HydrophobicContact CG-CD1 4.35Å; N56-L160 WeakPolarHBondContact OD1-CD2 3.42Å; L157-L160 WeakPolarHBondContact O-CB 3.4Å; L157-L160 PolarHBondContact O-N 3.36Å; D158-L160 PolarHBondContact O-N 2.85Å; L160-A162 VanDerWaalsContact C-N 3.3Å; L160-A162 PolarHBondContact O-N 3.16Å; L160-V163 PolarHBondContact O-N 3.47Å; L160-I164 HydrophobicContact CB-CD1 4.43Å; L160-I164 VanDerWaalsContact O-CB 3.29Å; L160-I164 WeakPolarHBondContact O-CB 3.28Å; L160-I164 VanDerWaalsContact O-CD1 3.31Å; L160-I164 WeakPolarHBondContact O-CD1 3.28Å; L160-I164 WeakPolarHBondContact O-CG1 3.43Å; L160-I164 PolarHBondContact O-N 2.98Å
161A47.5Very low47.9Very low53 Ų5373.8 Ų73.844%0.43842%0.423SS..Hα-helixtrans-61.9-39.9175.600000111.7L157 D158 I164 S165L157-A161 PolarHBondContact O-N 3.45Å; D158-A161 PolarHBondContact O-N 2.88Å; A161-I164 PolarHBondContact O-N 3.03Å; A161-S165 WeakPolarHBondContact O-CB 3.42Å; A161-S165 PolarHBondContact O-N 2.92Å
162A47Very low48.2Very low38 Ų3873.2 Ų73.231%0.31442%0.42SS..Hα-helixtrans-67.6-35.3176.300000113.1D158 L160 R166D158-A162 PolarHBondContact O-N 2.73Å; D158-A162 VanDerWaalsContact O-N 3.12Å; L160-A162 VanDerWaalsContact C-N 3.3Å; L160-A162 PolarHBondContact O-N 3.16Å; A162-R166 PolarHBondContact O-N 3.2Å; A162-R166 PolarHBondContact O-NE 3.13Å
163V44.7Very low48.2Very low62 Ų6273.6 Ų73.638%0.37642%0.419SS..Hα-helixtrans-73.4-42.7174.3172.20000111A159 L160 S165 R166 Q167A159-V163 VanDerWaalsContact O-CG2 3.24Å; A159-V163 WeakPolarHBondContact O-CG2 3.45Å; A159-V163 PolarHBondContact O-N 2.82Å; L160-V163 PolarHBondContact O-N 3.47Å; V163-S165 VanDerWaalsContact C-N 3.34Å; V163-S165 PolarHBondContact O-N 3.38Å; V163-R166 PolarHBondContact O-N 3.08Å; V163-Q167 WeakPolarHBondContact O-CB 3.24Å; V163-Q167 PolarHBondContact O-N 3.26Å
164I48.5Very low48.7Very low46 Ų4676 Ų7624%0.23643%0.432CS..Hα-helixtrans-59.2-42.7175.3-70.4162.3000111.1V87 L160 A161 Q167 K168V87-I164 HydrophobicContact CG1-CD1 4.35Å; L160-I164 HydrophobicContact CB-CD1 4.43Å; L160-I164 VanDerWaalsContact O-CB 3.29Å; L160-I164 WeakPolarHBondContact O-CB 3.28Å; L160-I164 VanDerWaalsContact O-CD1 3.31Å; L160-I164 WeakPolarHBondContact O-CD1 3.28Å; L160-I164 WeakPolarHBondContact O-CG1 3.43Å; L160-I164 PolarHBondContact O-N 2.98Å; A161-I164 PolarHBondContact O-N 3.03Å; I164-Q167 PolarHBondContact O-N 2.94Å; I164-K168 VanDerWaalsContact O-CB 3.23Å; I164-K168 WeakPolarHBondContact O-CB 3.31Å; I164-K168 PolarHBondContact O-N 3.35Å
165S47.7Very low48.9Very low71 Ų7173.8 Ų73.850%0.49743%0.426SS..Hα-helixtrans-64.1-43.9177.4-169.60000112.1A161 V163 Q167 L169A161-S165 WeakPolarHBondContact O-CB 3.42Å; A161-S165 PolarHBondContact O-N 2.92Å; V163-S165 VanDerWaalsContact C-N 3.34Å; V163-S165 PolarHBondContact O-N 3.38Å; S165-Q167 VanDerWaalsContact C-N 3.33Å; S165-L169 WeakPolarHBondContact O-CD1 3.31Å; S165-L169 VanDerWaalsContact O-CG 3.31Å; S165-L169 WeakPolarHBondContact O-CG 3.18Å; S165-L169 PolarHBondContact O-N 3.37Å
166R47.6Very low49.1Very low165 Ų16575 Ų7562%0.62342%0.422SS*.Hα-helixtrans-68.6-33.6177.9-77.7-173.1-76.4-102.31.1112.7A162 V163 M170A162-R166 PolarHBondContact O-N 3.2Å; A162-R166 PolarHBondContact O-NE 3.13Å; V163-R166 PolarHBondContact O-N 3.08Å; R166-M170 PolarHBondContact O-N 2.96Å; R166-M170 VanDerWaalsContact O-N 3.08Å
167Q51.8Low49.6Very low34 Ų3478.9 Ų78.916%0.15943%0.433CS..Hα-helixtrans-84.1-31.4-175.8-159.6164.5-14.200112.4L63 V163 I164 S165 L169 M170 G171L63-Q167 HydrophobicContact CD2-CG 4.23Å; V163-Q167 WeakPolarHBondContact O-CB 3.24Å; V163-Q167 PolarHBondContact O-N 3.26Å; I164-Q167 PolarHBondContact O-N 2.94Å; S165-Q167 VanDerWaalsContact C-N 3.33Å; Q167-L169 VanDerWaalsContact C-N 3.33Å; Q167-M170 PolarHBondContact O-N 2.66Å; Q167-G171 PolarHBondContact O-N 3.45Å
168K54.3Low49.7Very low149 Ų14979.4 Ų79.465%0.64844%0.436SS*.Hα-helixtrans-61.3-42.4166.2-177.5178.5177.9179.10111.2I164 G171 Q172I164-K168 VanDerWaalsContact O-CB 3.23Å; I164-K168 WeakPolarHBondContact O-CB 3.31Å; I164-K168 PolarHBondContact O-N 3.35Å; K168-G171 PolarHBondContact O-N 2.92Å; K168-Q172 VanDerWaalsContact O-CB 3.28Å; K168-Q172 WeakPolarHBondContact O-CB 3.23Å; K168-Q172 PolarHBondContact O-N 3.09Å
169L50Low49.8Very low93 Ų9378.5 Ų78.549%0.48743%0.431SS..Hα-helixtrans-62.3-43.8174.2-72.5166.3000111.4S165 Q167 G171 Q172 D173S165-L169 WeakPolarHBondContact O-CD1 3.31Å; S165-L169 VanDerWaalsContact O-CG 3.31Å; S165-L169 WeakPolarHBondContact O-CG 3.18Å; S165-L169 PolarHBondContact O-N 3.37Å; Q167-L169 VanDerWaalsContact C-N 3.33Å; L169-G171 PolarHBondContact O-N 2.96Å; L169-Q172 PolarHBondContact O-N 2.99Å; L169-D173 PolarHBondContact O-N 2.84Å
170M49.3Very low49.8Very low111 Ų11181.6 Ų81.655%0.54744%0.435SS..Hα-helixtrans-65.8-38.2176.3-168.7177.1178.800113.3R166 Q167 Q172 I174R166-M170 PolarHBondContact O-N 2.96Å; R166-M170 VanDerWaalsContact O-N 3.08Å; Q167-M170 PolarHBondContact O-N 2.66Å; M170-Q172 VanDerWaalsContact C-N 3.32Å; M170-I174 HydrophobicContact CG-CD1 4.22Å; M170-I174 WeakPolarHBondContact O-CB 3.4Å; M170-I174 WeakPolarHBondContact O-CD1 3.41Å; M170-I174 WeakPolarHBondContact O-CG1 3.48Å; M170-I174 PolarHBondContact O-N 3.01Å
171G55.1Low49.6Very low36 Ų3684.6 Ų84.637%0.37145%0.448SS..Hα-helixtrans-67.4-32.3173.400000113Q167 K168 L169 G175Q167-G171 PolarHBondContact O-N 3.45Å; K168-G171 PolarHBondContact O-N 2.92Å; L169-G171 PolarHBondContact O-N 2.96Å; G171-G175 PolarHBondContact O-N 3.47Å; G171-G175 VanDerWaalsContact O-N 3.09Å
172Q52.3Low49.5Very low113 Ų11386.7 Ų86.753%0.52845%0.452SS..Hα-helixtrans-76.6-38177-161.5173.1-2.800112.2K168 L169 M170 G175 N176K168-Q172 VanDerWaalsContact O-CB 3.28Å; K168-Q172 WeakPolarHBondContact O-CB 3.23Å; K168-Q172 PolarHBondContact O-N 3.09Å; L169-Q172 PolarHBondContact O-N 2.99Å; M170-Q172 VanDerWaalsContact C-N 3.32Å; Q172-G175 WeakPolarHBondContact O-CA 3.24Å; Q172-G175 PolarHBondContact O-N 3.09Å; Q172-G175 VanDerWaalsContact O-N 3.1Å; Q172-N176 PolarHBondContact O-N 3.23Å
173D45.6Very low49.2Very low107 Ų10792 Ų9257%0.57247%0.47SS*.Hα-helixtrans-66.1-36.7172.9-74.4-16.1000111.7L169 G175 N176 E177L169-D173 PolarHBondContact O-N 2.84Å; D173-G175 VanDerWaalsContact C-N 3.28Å; D173-G175 PolarHBondContact O-N 2.86Å; D173-N176 PolarHBondContact O-N 3.01Å; D173-E177 PolarHBondContact O-N 2.81Å
174I52.8Low49.4Very low80 Ų8094.2 Ų94.241%0.4148%0.479SS..Hα-helixtrans-66.1-31.5170.4-69.3165.1000111.5Q73 M170Q73-I174 PolarHBondContact NE2-O 3.48Å; M170-I174 HydrophobicContact CG-CD1 4.22Å; M170-I174 WeakPolarHBondContact O-CB 3.4Å; M170-I174 WeakPolarHBondContact O-CD1 3.41Å; M170-I174 WeakPolarHBondContact O-CG1 3.48Å; M170-I174 PolarHBondContact O-N 3.01Å
175G51.4Low49.3Very low25 Ų2597 Ų9726%0.25849%0.493SS..Hα-helixtrans-67.7-45.9173.400000113.2G171 Q172 D173 L178 D179G171-G175 PolarHBondContact O-N 3.47Å; G171-G175 VanDerWaalsContact O-N 3.09Å; Q172-G175 WeakPolarHBondContact O-CA 3.24Å; Q172-G175 PolarHBondContact O-N 3.09Å; Q172-G175 VanDerWaalsContact O-N 3.1Å; D173-G175 VanDerWaalsContact C-N 3.28Å; D173-G175 PolarHBondContact O-N 2.86Å; G175-L178 PolarHBondContact O-N 3.11Å; G175-L178 VanDerWaalsContact O-N 3.16Å; G175-D179 PolarHBondContact O-N 3.04Å
176N52.2Low49.3Very low101 Ų10199.3 Ų99.354%0.5450%0.5SS..Hα-helixtrans-67.2-38.2179.9-91.110.7000113.4Q172 D173 L178 D179 E180Q172-N176 PolarHBondContact O-N 3.23Å; D173-N176 PolarHBondContact O-N 3.01Å; N176-L178 PolarHBondContact O-N 3.3Å; N176-D179 PolarHBondContact O-N 3.11Å; N176-E180 PolarHBondContact O-N 3.36Å
177E53.6Low49.4Very low105 Ų10596.4 Ų96.449%0.49150%0.497SS..Hα-helixtrans-62.4-21173.9176.468.1-143.100112.3D173 Q181D173-E177 PolarHBondContact O-N 2.81Å; E177-Q181 PolarHBondContact O-N 2.74Å; E177-Q181 PolarHBondContact OE1-NE2 3.29Å
178L49.4Very low49.1Very low63 Ų63100.8 Ų100.833%0.3352%0.521SS..Hα-helixtrans-92.6-19.2175.9-108.8159.4000114.5Q73 G175 N176 E180 Q181 N182Q73-L178 HydrophobicContact CB-CD1 3.87Å; Q73-L178 HydrophobicContact CG-CD1 3.74Å; Q73-L178 VanDerWaalsContact NE2-CD1 3.28Å; G175-L178 PolarHBondContact O-N 3.11Å; G175-L178 VanDerWaalsContact O-N 3.16Å; N176-L178 PolarHBondContact O-N 3.3Å; L178-E180 VanDerWaalsContact C-N 3.32Å; L178-Q181 HydrophobicContact CD2-CB 4.22Å; L178-Q181 CarbonylContact O-C 3.52Å; L178-Q181 PolarHBondContact O-N 3.48Å; L178-N182 PolarHBondContact O-N 3.04Å
179D49Very low48.9Very low107 Ų10797.3 Ų97.357%0.57251%0.512SS*.Hα-helixtrans-69.1-35.8162.4-79.3-25.6000110.4G175 N176 Q181 N182 E183G175-D179 PolarHBondContact O-N 3.04Å; N176-D179 PolarHBondContact O-N 3.11Å; D179-Q181 PolarHBondContact O-N 2.89Å; D179-N182 PolarHBondContact O-N 3.47Å; D179-N182 VanDerWaalsContact O-N 3.15Å; D179-E183 PolarHBondContact O-N 3.15Å
180E47.8Very low49Very low127 Ų12798.5 Ų98.559%0.59352%0.515SS*.THydrogen-bonded Turntrans-66.8-23.1170.7-156.5166.9-166.700112.4N176 L178N176-E180 PolarHBondContact O-N 3.36Å; L178-E180 VanDerWaalsContact C-N 3.32Å
181Q43.2Very low49.1Very low91 Ų9198.3 Ų98.343%0.42552%0.515SS..THydrogen-bonded Turntrans-99.92171.2-68.2-177.646.900114.8E177 L178 D179E177-Q181 PolarHBondContact O-N 2.74Å; E177-Q181 PolarHBondContact OE1-NE2 3.29Å; L178-Q181 HydrophobicContact CD2-CB 4.22Å; L178-Q181 CarbonylContact O-C 3.52Å; L178-Q181 PolarHBondContact O-N 3.48Å; D179-Q181 PolarHBondContact O-N 2.89Å
182N45.3Very low49.1Very low96 Ų96101 Ų10151%0.51352%0.524SS..THydrogen-bonded Turntrans-85.1-15.4160.7-99.6-35000111.3L178 D179 I184 I185L178-N182 PolarHBondContact O-N 3.04Å; D179-N182 PolarHBondContact O-N 3.47Å; D179-N182 VanDerWaalsContact O-N 3.15Å; N182-I184 PolarHBondContact O-N 2.96Å; N182-I185 PolarHBondContact O-N 3.24Å
183E42.3Very low49.3Very low149 Ų149100.2 Ų100.270%0.69652%0.524SS*.THydrogen-bonded Turntrans-73-7.2166.7-160.7171.8167.800112.6D179D179-E183 PolarHBondContact O-N 3.15Å
184I49.1Very low49.8Very low110 Ų110101.7 Ų101.756%0.56453%0.525SS*.THydrogen-bonded Turntrans-100.69.5173.8-58.9177000112.1N182N182-I184 PolarHBondContact O-N 2.96Å
185I45.3Very low50Low105 Ų105101.3 Ų101.354%0.53853%0.527SS..THydrogen-bonded Turntrans-94.4-18.4167.6-64.1-175.7000111.8N182 T189N182-I185 PolarHBondContact O-N 3.24Å; I185-T189 PolarHBondContact O-OG1 3.21Å
186D48.7Very low50.2Low119 Ų119104.7 Ų104.764%0.63654%0.539SS*.Hα-helixtrans-75.4-34.7172.9-14615.9000111.4L188 T189 H190D186-L188 PolarHBondContact O-N 3.45Å; D186-T189 PolarHBondContact O-N 3.48Å; D186-H190 VanDerWaalsContact O-CB 3.24Å; D186-H190 WeakPolarHBondContact O-CB 3.4Å; D186-H190 PolarHBondContact O-N 3.2Å
187D49.3Very low50.4Low104 Ų104105 Ų10556%0.55654%0.54SS*.Hα-helixtrans-70.7-31.8178.4-107.4-2.6000113.5H190 L191D187-H190 PolarHBondContact O-N 3.46Å; D187-L191 WeakPolarHBondContact O-CB 3.36Å; D187-L191 WeakPolarHBondContact O-CD1 3.32Å; D187-L191 PolarHBondContact O-N 3.45Å
188L44.3Very low50.6Low126 Ų126108.4 Ų108.466%0.6655%0.549SS*.Hα-helixtrans-71.4-37.8177.7-151.992.2000111.6D186 V192D186-L188 PolarHBondContact O-N 3.45Å; L188-V192 VanDerWaalsContact O-CG2 3.28Å; L188-V192 WeakPolarHBondContact O-CG2 3.18Å; L188-V192 PolarHBondContact O-N 3.27Å; L188-V192 VanDerWaalsContact O-N 3.1Å
189T51.7Low51.2Low76 Ų76109.9 Ų109.947%0.46656%0.556SS.*Hα-helixtrans-68.7-41.2174.5-52.80000110.1I185 D186 L191 V192 D193I185-T189 PolarHBondContact O-OG1 3.21Å; D186-T189 PolarHBondContact O-N 3.48Å; T189-L191 PolarHBondContact O-N 2.97Å; T189-V192 PolarHBondContact O-N 3.44Å; T189-D193 PolarHBondContact O-N 2.89Å
190H50.3Low51.6Low118 Ų118113.3 Ų113.355%0.54656%0.561SS.*Hα-helixtrans-69.7-28.3178.6-150.6-51.8000113.5D186 D187 K194D186-H190 VanDerWaalsContact O-CB 3.24Å; D186-H190 WeakPolarHBondContact O-CB 3.4Å; D186-H190 PolarHBondContact O-N 3.2Å; D187-H190 PolarHBondContact O-N 3.46Å; H190-K194 WeakPolarHBondContact O-CB 3.28Å; H190-K194 PolarHBondContact O-N 3.1Å
191L53.1Low52.1Low106 Ų106111.5 Ų111.556%0.55556%0.555SS**Hα-helixtrans-76.7-34171.6-94.1140.9000112.7D187 T189 T195D187-L191 WeakPolarHBondContact O-CB 3.36Å; D187-L191 WeakPolarHBondContact O-CD1 3.32Å; D187-L191 PolarHBondContact O-N 3.45Å; T189-L191 PolarHBondContact O-N 2.97Å; L191-T195 VanDerWaalsContact O-CB 3.31Å; L191-T195 WeakPolarHBondContact O-CB 3.31Å; L191-T195 PolarHBondContact O-N 3.05Å; L191-T195 PolarHBondContact O-OG1 2.94Å
192V54.4Low52.7Low92 Ų92113 Ų11356%0.55856%0.562SS**Hα-helixtrans-68.9-47.1174.6169.60000110.7L188 T189 K194 T195 D196L188-V192 VanDerWaalsContact O-CG2 3.28Å; L188-V192 WeakPolarHBondContact O-CG2 3.18Å; L188-V192 PolarHBondContact O-N 3.27Å; L188-V192 VanDerWaalsContact O-N 3.1Å; T189-V192 PolarHBondContact O-N 3.44Å; V192-K194 VanDerWaalsContact C-N 3.35Å; V192-K194 PolarHBondContact O-N 2.69Å; V192-T195 PolarHBondContact O-N 3.42Å; V192-T195 VanDerWaalsContact O-N 3.14Å; V192-D196 PolarHBondContact O-N 3Å
193D55.8Low53.3Low98 Ų98111.9 Ų111.952%0.52456%0.559SS.*Hα-helixtrans-62.6-41177.1-80.4-11.3000111.9T189 T195 D196 D197T189-D193 PolarHBondContact O-N 2.89Å; D193-T195 VanDerWaalsContact C-N 3.27Å; D193-T195 PolarHBondContact O-N 3.32Å; D193-D196 PolarHBondContact O-N 3.37Å; D193-D197 PolarHBondContact O-N 3.36Å
194K56.6Low53.9Low137 Ų137113.7 Ų113.760%0.59656%0.56SS**Hα-helixtrans-69-25.9177.3-163.7173-169.31660113H190 V192 R198H190-K194 WeakPolarHBondContact O-CB 3.28Å; H190-K194 PolarHBondContact O-N 3.1Å; V192-K194 VanDerWaalsContact C-N 3.35Å; V192-K194 PolarHBondContact O-N 2.69Å; K194-R198 PolarHBondContact O-N 3.14Å
195T57.1Low54.2Low73 Ų73116.7 Ų116.745%0.44856%0.564SS.*Hα-helixtrans-78.1-40.4174.5-59.70000110.8L191 V192 D193 R198 I199L191-T195 VanDerWaalsContact O-CB 3.31Å; L191-T195 WeakPolarHBondContact O-CB 3.31Å; L191-T195 PolarHBondContact O-N 3.05Å; L191-T195 PolarHBondContact O-OG1 2.94Å; V192-T195 PolarHBondContact O-N 3.42Å; V192-T195 VanDerWaalsContact O-N 3.14Å; D193-T195 VanDerWaalsContact C-N 3.27Å; D193-T195 PolarHBondContact O-N 3.32Å; T195-R198 PolarHBondContact O-N 3.35Å; T195-I199 HydrophobicContact CG2-CD1 3.83Å; T195-I199 HydrophobicContact CG2-CG1 4.47Å; T195-I199 WeakPolarHBondContact O-CB 3.27Å; T195-I199 VanDerWaalsContact O-CG1 3.28Å; T195-I199 WeakPolarHBondContact O-CG1 3.48Å; T195-I199 PolarHBondContact O-N 2.97Å
196D54.8Low54.7Low96 Ų96116.5 Ų116.551%0.51357%0.568SS.*Hα-helixtrans-66.9-39.4177.7-157.144.4000111.9V192 D193 R198 I199 R200V192-D196 PolarHBondContact O-N 3Å; D193-D196 PolarHBondContact O-N 3.37Å; D196-R198 PolarHBondContact O-N 3.01Å; D196-I199 PolarHBondContact O-N 3.35Å; D196-R200 WeakPolarHBondContact O-CB 3.28Å; D196-R200 PolarHBondContact O-N 2.85Å
197D56.8Low54.9Low106 Ų106117.9 Ų117.957%0.56757%0.568SS**Hα-helixtrans-65.4-36.8174.2-86.8-22.1000113.1D193 N201D193-D197 PolarHBondContact O-N 3.36Å; D197-N201 VanDerWaalsContact O-CB 3.27Å; D197-N201 WeakPolarHBondContact O-CB 3.49Å; D197-N201 PolarHBondContact O-N 3.32Å
198R59Low55.1Low178 Ų178117.6 Ų117.667%0.67257%0.566SS**Hα-helixtrans-65.9-47.6173.2-107.7-175.6-160.4-132.65.3111.4K194 T195 D196 R200 N201 E202K194-R198 PolarHBondContact O-N 3.14Å; T195-R198 PolarHBondContact O-N 3.35Å; D196-R198 PolarHBondContact O-N 3.01Å; R198-R200 VanDerWaalsContact C-N 3.33Å; R198-R200 PolarHBondContact O-N 2.94Å; R198-N201 PolarHBondContact O-N 3.07Å; R198-E202 WeakPolarHBondContact O-CB 3.19Å; R198-E202 WeakPolarHBondContact O-CG 3.47Å; R198-E202 PolarHBondContact O-N 3.47Å
199I61.4Low55.5Low94 Ų94116.3 Ų116.348%0.48256%0.563SS.*Hα-helixtrans-62.4-42.8-179.9-71.2171.1000110.4T195 D196 T203T195-I199 HydrophobicContact CG2-CD1 3.83Å; T195-I199 HydrophobicContact CG2-CG1 4.47Å; T195-I199 WeakPolarHBondContact O-CB 3.27Å; T195-I199 VanDerWaalsContact O-CG1 3.28Å; T195-I199 WeakPolarHBondContact O-CG1 3.48Å; T195-I199 PolarHBondContact O-N 2.97Å; D196-I199 PolarHBondContact O-N 3.35Å; I199-T203 WeakPolarHBondContact O-CB 3.42Å; I199-T203 PolarHBondContact O-N 3.44Å; I199-T203 PolarHBondContact O-OG1 3.08Å
200R57.3Low55.5Low179 Ų179119.9 Ų119.968%0.67557%0.574SS**Hα-helixtrans-69.2-37.3179.5-171.1174.1148.4-172.9-8.7112.4D196 R198 R204D196-R200 WeakPolarHBondContact O-CB 3.28Å; D196-R200 PolarHBondContact O-N 2.85Å; R198-R200 VanDerWaalsContact C-N 3.33Å; R198-R200 PolarHBondContact O-N 2.94Å; R200-R204 WeakPolarHBondContact O-CB 3.32Å; R200-R204 PolarHBondContact O-N 3.29Å; R200-R204 VanDerWaalsContact O-N 3.08Å
201N59.2Low55.6Low88 Ų88119.5 Ų119.547%0.47158%0.58SS.*Hα-helixtrans-73.1-36176.8-157.436.5000112.4D197 R198 R204 R205D197-N201 VanDerWaalsContact O-CB 3.27Å; D197-N201 WeakPolarHBondContact O-CB 3.49Å; D197-N201 PolarHBondContact O-N 3.32Å; R198-N201 PolarHBondContact O-N 3.07Å; N201-R204 PolarHBondContact O-N 3.08Å; N201-R205 WeakPolarHBondContact O-CG 3.38Å; N201-R205 PolarHBondContact O-N 2.9Å; N201-R205 VanDerWaalsContact O-N 3.07Å
202E55.6Low55.5Low122 Ų122122 Ų12257%0.5759%0.587SS**Hα-helixtrans-69.9-41.4173.8-73.8-169.8-173.100111.9R198 R204 R205 V206R198-E202 WeakPolarHBondContact O-CB 3.19Å; R198-E202 WeakPolarHBondContact O-CG 3.47Å; R198-E202 PolarHBondContact O-N 3.47Å; E202-R204 PolarHBondContact O-N 2.72Å; E202-R205 PolarHBondContact O-N 3.46Å; E202-R205 VanDerWaalsContact O-N 3.08Å; E202-V206 WeakPolarHBondContact O-CG2 3.46Å; E202-V206 PolarHBondContact O-N 3.38Å
203T57.1Low55.4Low73 Ų73121.9 Ų121.945%0.44859%0.59SS.*Hα-helixtrans-61.4-35.3174.2-550000111.7I199 V206 K207I199-T203 WeakPolarHBondContact O-CB 3.42Å; I199-T203 PolarHBondContact O-N 3.44Å; I199-T203 PolarHBondContact O-OG1 3.08Å; T203-V206 PolarHBondContact O-N 2.98Å; T203-K207 PolarHBondContact O-N 3.3Å; T203-K207 VanDerWaalsContact O-N 3.11Å
204R55.8Low55.3Low187 Ų187120.3 Ų120.371%0.70659%0.591SS**Hα-helixtrans-70-35.9175.4-158.5177.8-170.1-166.73112.1R200 N201 E202 L208R200-R204 WeakPolarHBondContact O-CB 3.32Å; R200-R204 PolarHBondContact O-N 3.29Å; R200-R204 VanDerWaalsContact O-N 3.08Å; N201-R204 PolarHBondContact O-N 3.08Å; E202-R204 PolarHBondContact O-N 2.72Å; R204-L208 WeakPolarHBondContact O-CB 3.22Å; R204-L208 PolarHBondContact O-N 3.12Å; R204-L208 VanDerWaalsContact O-N 3.12Å
205R55.2Low55.5Low173 Ų173117.4 Ų117.465%0.65359%0.587SS**Hα-helixtrans-68.6-38173.8-74.1179.5-179.3-118.61111.8N201 E202 L208 V209N201-R205 WeakPolarHBondContact O-CG 3.38Å; N201-R205 PolarHBondContact O-N 2.9Å; N201-R205 VanDerWaalsContact O-N 3.07Å; E202-R205 PolarHBondContact O-N 3.46Å; E202-R205 VanDerWaalsContact O-N 3.08Å; R205-L208 PolarHBondContact O-N 3.41Å; R205-V209 WeakPolarHBondContact O-CG2 3.38Å; R205-V209 PolarHBondContact O-N 2.92Å
206V56.1Low55.7Low102 Ų102118 Ų11862%0.61859%0.594SS**Hα-helixtrans-65.2-43.1176.5175.90000111.4E202 T203 L208 V209 E210E202-V206 WeakPolarHBondContact O-CG2 3.46Å; E202-V206 PolarHBondContact O-N 3.38Å; T203-V206 PolarHBondContact O-N 2.98Å; V206-L208 VanDerWaalsContact C-N 3.33Å; V206-L208 PolarHBondContact O-N 3.11Å; V206-V209 PolarHBondContact O-N 3.47Å; V206-E210 PolarHBondContact O-N 3.37Å
207K51.9Low56.6Low147 Ų147115.4 Ų115.464%0.63959%0.59SS**Hα-helixtrans-67.8-27.9174.8-74.3-174.2176.8-1790114.2T203 T211T203-K207 PolarHBondContact O-N 3.3Å; T203-K207 VanDerWaalsContact O-N 3.11Å; K207-T211 PolarHBondContact O-OG1 3.01Å
208L53.8Low57.4Low99 Ų99116.4 Ų116.452%0.51859%0.592SS.*Hα-helixtrans-80.2-30.1177.9-146.2152.6000111.8R204 R205 V206 T211 K212R204-L208 WeakPolarHBondContact O-CB 3.22Å; R204-L208 PolarHBondContact O-N 3.12Å; R204-L208 VanDerWaalsContact O-N 3.12Å; R205-L208 PolarHBondContact O-N 3.41Å; V206-L208 VanDerWaalsContact C-N 3.33Å; V206-L208 PolarHBondContact O-N 3.11Å; L208-T211 PolarHBondContact O-OG1 3.36Å; L208-K212 HydrophobicContact CD2-CD 4.3Å; L208-K212 WeakPolarHBondContact O-CB 3.34Å; L208-K212 PolarHBondContact O-N 3.18Å
209V53.2Low58.3Low99 Ų99112.9 Ų112.960%0.659%0.587SS**Hα-helixtrans-69.2-35.8174.1171.50000111.4R205 V206 S213R205-V209 WeakPolarHBondContact O-CG2 3.38Å; R205-V209 PolarHBondContact O-N 2.92Å; V206-V209 PolarHBondContact O-N 3.47Å; V209-S213 WeakPolarHBondContact O-CB 3.44Å; V209-S213 PolarHBondContact O-N 3.27Å
210E51.3Low59.3Low151 Ų151112.1 Ų112.171%0.70659%0.586SS**Hα-helixtrans-70.1-34.5178.5-156.7173.7-170.100112.7V206V206-E210 PolarHBondContact O-N 3.37Å
211T53.3Low60.7Low109 Ų109107.6 Ų107.667%0.66958%0.578SS**Hα-helixtrans-85.5-26.6-177.844.80000114.3K207 L208K207-T211 PolarHBondContact O-OG1 3.01Å; L208-T211 PolarHBondContact O-OG1 3.36Å
212K49.7Very low62Low159 Ų159107.3 Ų107.369%0.69158%0.576SS**Hα-helixtrans-93.7-25.7-176.7-147.7175.5-175.7-175.70114.2L208L208-K212 HydrophobicContact CD2-CD 4.3Å; L208-K212 WeakPolarHBondContact O-CB 3.34Å; L208-K212 PolarHBondContact O-N 3.18Å
213S52.4Low63.6Low89 Ų89105.2 Ų105.262%0.62257%0.571SS**Hα-helixtrans-82.3-38.1-174.2-161.40000113.5V209 S215V209-S213 WeakPolarHBondContact O-CB 3.44Å; V209-S213 PolarHBondContact O-N 3.27Å; S213-S215 PolarHBondContact O-N 3.31Å
214A54.2Low65.2Low65 Ų65107 Ų10754%0.53758%0.578SS.*Hα-helixtrans-72-31-172.600000114.1M218A214-M218 WeakPolarHBondContact O-CB 3.34Å
215S60.1Low66.9Low76 Ų76103.2 Ų103.253%0.53157%0.57SS.*Hα-helixtrans-91.6-39.4-168.4-153.30000113.8S213 L219S213-S215 PolarHBondContact O-N 3.31Å; S215-L219 VanDerWaalsContact O-CG 3.32Å; S215-L219 WeakPolarHBondContact O-CG 3.32Å; S215-L219 PolarHBondContact O-N 3.18Å
216C62.6Low68.7Low87 Ų8799.8 Ų99.859%0.58856%0.564SS**Hα-helixtrans-76-42.8-176.6-169.70000112.8V220C216-V220 WeakPolarHBondContact O-CG2 3.28Å; C216-V220 PolarHBondContact O-N 3.45Å
217G71.9Confident70.5Confident41 Ų4199.4 Ų99.442%0.42356%0.558SS.*Hα-helixtrans-65.5-42.2-179.800000112.3V220 V221G217-V220 PolarHBondContact O-N 3.12Å; G217-V221 WeakPolarHBondContact O-CG2 3.34Å; G217-V221 PolarHBondContact O-N 2.97Å; G217-V221 VanDerWaalsContact O-N 3.12Å
218M75.4Confident72.4Confident126 Ų12694.9 Ų94.962%0.62155%0.548SS*.Hα-helixtrans-64.8-42178.7-170.7-178.9-67.800112.1A214 V220 V221 I222A214-M218 WeakPolarHBondContact O-CB 3.34Å; M218-V220 PolarHBondContact O-N 3.5Å; M218-V221 PolarHBondContact O-N 3Å; M218-I222 HydrophobicContact CG-CD1 4.08Å; M218-I222 VanDerWaalsContact O-CG1 3.28Å; M218-I222 WeakPolarHBondContact O-CG1 3.42Å; M218-I222 PolarHBondContact O-N 2.97Å
219L76.4Confident74.1Confident105 Ų10595.4 Ų95.455%0.5555%0.55SS.*Hα-helixtrans-64.3-39.4176.8-76.5173.2000112.7S215 I222 V223S215-L219 VanDerWaalsContact O-CG 3.32Å; S215-L219 WeakPolarHBondContact O-CG 3.32Å; S215-L219 PolarHBondContact O-N 3.18Å; L219-I222 PolarHBondContact O-N 3.35Å; L219-V223 WeakPolarHBondContact O-CG2 3.37Å; L219-V223 PolarHBondContact O-N 3.36Å
220V82.6Confident75.9Confident78 Ų7894.9 Ų94.947%0.47355%0.547SS..Hα-helixtrans-64-42.7176.6172.10000111.2C216 G217 M218 V223 L224C216-V220 WeakPolarHBondContact O-CG2 3.28Å; C216-V220 PolarHBondContact O-N 3.45Å; G217-V220 PolarHBondContact O-N 3.12Å; M218-V220 PolarHBondContact O-N 3.5Å; V220-V223 PolarHBondContact O-N 3.38Å; V220-L224 HydrophobicContact CG1-CD1 4.14Å; V220-L224 WeakPolarHBondContact O-CG 3.39Å; V220-L224 PolarHBondContact O-N 3.33Å
221V86.2Confident77.8Confident83 Ų8391.3 Ų91.350%0.50354%0.535SS..Hα-helixtrans-62.2-43.3175.8173.60000111.1G217 M218 V223 L224 L225G217-V221 WeakPolarHBondContact O-CG2 3.34Å; G217-V221 PolarHBondContact O-N 2.97Å; G217-V221 VanDerWaalsContact O-N 3.12Å; M218-V221 PolarHBondContact O-N 3Å; V221-V223 PolarHBondContact O-N 2.99Å; V221-L224 PolarHBondContact O-N 3.5Å; V221-L225 HydrophobicContact CG1-CD1 4.15Å; V221-L225 WeakPolarHBondContact O-CG 3.38Å; V221-L225 PolarHBondContact O-N 3.33Å
222I87.8Confident79.5Confident82 Ų8291.4 Ų91.442%0.42154%0.536SS..Hα-helixtrans-60.7-45.4176.8-69.5165.2000111.2M218 L219 L225 L226M218-I222 HydrophobicContact CG-CD1 4.08Å; M218-I222 VanDerWaalsContact O-CG1 3.28Å; M218-I222 WeakPolarHBondContact O-CG1 3.42Å; M218-I222 PolarHBondContact O-N 2.97Å; L219-I222 PolarHBondContact O-N 3.35Å; I222-L225 PolarHBondContact O-N 3.36Å; I222-L226 HydrophobicContact CG2-CD1 4.45Å; I222-L226 WeakPolarHBondContact O-CG 3.37Å; I222-L226 PolarHBondContact O-N 3.27Å
223V89.3Confident81.2Confident79 Ų7987.7 Ų87.748%0.47953%0.534SS..Hα-helixtrans-64.7-42.8179.1171.60000111.6L219 V220 V221 L225 L226 I227L219-V223 WeakPolarHBondContact O-CG2 3.37Å; L219-V223 PolarHBondContact O-N 3.36Å; V220-V223 PolarHBondContact O-N 3.38Å; V221-V223 PolarHBondContact O-N 2.99Å; V223-L225 PolarHBondContact O-N 3.01Å; V223-L226 PolarHBondContact O-N 3Å; V223-I227 HydrophobicContact CG1-CD1 4.03Å; V223-I227 WeakPolarHBondContact O-CG1 3.37Å; V223-I227 PolarHBondContact O-N 3.49Å
224L90.8Very high82.9Confident111 Ų11188.6 Ų88.658%0.58154%0.536SS*.Hα-helixtrans-62.5-41.6176.7-75.4174.4000112.2V220 V221 I227 A228V220-L224 HydrophobicContact CG1-CD1 4.14Å; V220-L224 WeakPolarHBondContact O-CG 3.39Å; V220-L224 PolarHBondContact O-N 3.33Å; V221-L224 PolarHBondContact O-N 3.5Å; L224-I227 PolarHBondContact O-N 3.38Å; L224-A228 PolarHBondContact O-N 3Å
225L91.8Very high84.3Confident106 Ų10694.3 Ų94.356%0.55554%0.544SS*.Hα-helixtrans-63.9-40.2175.4-73.1175.6000111.9V221 I222 V223 A228 I229V221-L225 HydrophobicContact CG1-CD1 4.15Å; V221-L225 WeakPolarHBondContact O-CG 3.38Å; V221-L225 PolarHBondContact O-N 3.33Å; I222-L225 PolarHBondContact O-N 3.36Å; V223-L225 PolarHBondContact O-N 3.01Å; L225-A228 PolarHBondContact O-N 3.4Å; L225-I229 VanDerWaalsContact O-CG1 3.29Å; L225-I229 WeakPolarHBondContact O-CG1 3.32Å; L225-I229 PolarHBondContact O-N 3.47Å
226L92.9Very high84.9Confident101 Ų10195.9 Ų95.953%0.52955%0.553SS.*Hα-helixtrans-62.4-43.4175.1-77.1177.4000112.2I222 V223 A228 I229 V230I222-L226 HydrophobicContact CG2-CD1 4.45Å; I222-L226 WeakPolarHBondContact O-CG 3.37Å; I222-L226 PolarHBondContact O-N 3.27Å; V223-L226 PolarHBondContact O-N 3Å; L226-A228 VanDerWaalsContact C-N 3.35Å; L226-A228 PolarHBondContact O-N 3.49Å; L226-I229 PolarHBondContact O-N 3.36Å; L226-V230 WeakPolarHBondContact O-CG2 3.35Å; L226-V230 PolarHBondContact O-N 2.87Å
227I92.4Very high84.8Confident94 Ų94101.4 Ų101.448%0.48258%0.584SS.*Hα-helixtrans-61.8-45176.2-66.8167.1000110.3V223 L224 I229 V230 V231V223-I227 HydrophobicContact CG1-CD1 4.03Å; V223-I227 WeakPolarHBondContact O-CG1 3.37Å; V223-I227 PolarHBondContact O-N 3.49Å; L224-I227 PolarHBondContact O-N 3.38Å; I227-I229 VanDerWaalsContact C-N 3.32Å; I227-I229 PolarHBondContact O-N 2.98Å; I227-V230 PolarHBondContact O-N 3.46Å; I227-V231 HydrophobicContact CG2-CG2 4.26Å; I227-V231 VanDerWaalsContact O-CG2 3.32Å; I227-V231 WeakPolarHBondContact O-CG2 3.29Å; I227-V231 PolarHBondContact O-N 2.87Å
228A91.4Very high85.5Confident52 Ų52104.4 Ų104.443%0.4359%0.592SS.*Hα-helixtrans-59.3-42.3177.400000112.1L224 L225 L226 V231 V232L224-A228 PolarHBondContact O-N 3Å; L225-A228 PolarHBondContact O-N 3.4Å; L226-A228 VanDerWaalsContact C-N 3.35Å; L226-A228 PolarHBondContact O-N 3.49Å; A228-V231 PolarHBondContact O-N 3.26Å; A228-V232 WeakPolarHBondContact O-CG2 3.5Å; A228-V232 PolarHBondContact O-N 3.4Å
229I90.9Very high86Confident110 Ų110103.3 Ų103.356%0.56459%0.59SS**Hα-helixtrans-61.8-45.6175.4-68.7165.3000111L225 L226 I227 V232 A233L225-I229 VanDerWaalsContact O-CG1 3.29Å; L225-I229 WeakPolarHBondContact O-CG1 3.32Å; L225-I229 PolarHBondContact O-N 3.47Å; L226-I229 PolarHBondContact O-N 3.36Å; I227-I229 VanDerWaalsContact C-N 3.32Å; I227-I229 PolarHBondContact O-N 2.98Å; I229-V232 PolarHBondContact O-N 3.31Å; I229-A233 VanDerWaalsContact O-CB 3.3Å; I229-A233 WeakPolarHBondContact O-CB 3.27Å; I229-A233 PolarHBondContact O-N 2.96Å
230V91.1Very high86.6Confident89 Ų89103.2 Ų103.254%0.53959%0.592SS.*Hα-helixtrans-63.1-43.4178.3172.50000111.1L226 I227 V232 A233 V234L226-V230 WeakPolarHBondContact O-CG2 3.35Å; L226-V230 PolarHBondContact O-N 2.87Å; I227-V230 PolarHBondContact O-N 3.46Å; V230-V232 VanDerWaalsContact C-N 3.35Å; V230-V232 PolarHBondContact O-N 2.98Å; V230-A233 PolarHBondContact O-N 3.39Å; V230-V234 HydrophobicContact CG1-CG2 4.14Å; V230-V234 WeakPolarHBondContact O-CB 3.35Å; V230-V234 VanDerWaalsContact O-CG2 3.27Å; V230-V234 WeakPolarHBondContact O-CG2 3.21Å; V230-V234 PolarHBondContact O-N 2.87Å
231V90.1Very high86.8Confident75 Ų75104.6 Ų104.646%0.45560%0.599SS.*Hα-helixtrans-60.9-45.2177.5170.70000110.7I227 A228 V234 W235I227-V231 HydrophobicContact CG2-CG2 4.26Å; I227-V231 VanDerWaalsContact O-CG2 3.32Å; I227-V231 WeakPolarHBondContact O-CG2 3.29Å; I227-V231 PolarHBondContact O-N 2.87Å; A228-V231 PolarHBondContact O-N 3.26Å; V231-V234 PolarHBondContact O-N 3.2Å; V231-W235 HydrophobicContact CG1-CE3 4.32Å; V231-W235 WeakPolarHBondContact O-CB 3.34Å; V231-W235 PolarHBondContact O-N 2.99Å
232V88.8Confident86.8Confident111 Ų111106 Ų10667%0.67361%0.605SS**Hα-helixtrans-65.3-39.8176.9171.90000111.6A228 I229 V230 W235A228-V232 WeakPolarHBondContact O-CG2 3.5Å; A228-V232 PolarHBondContact O-N 3.4Å; I229-V232 PolarHBondContact O-N 3.31Å; V230-V232 VanDerWaalsContact C-N 3.35Å; V230-V232 PolarHBondContact O-N 2.98Å; V232-W235 PolarHBondContact O-N 3.45Å
233A86.7Confident86.8Confident81 Ų81107.6 Ų107.667%0.66962%0.618SS**Hα-helixtrans-70.5-31.6179.600000113.4I229 V230I229-A233 VanDerWaalsContact O-CB 3.3Å; I229-A233 WeakPolarHBondContact O-CB 3.27Å; I229-A233 PolarHBondContact O-N 2.96Å; V230-A233 PolarHBondContact O-N 3.39Å
234V86.7Confident86.6Confident109 Ų109109.6 Ų109.666%0.66163%0.628SS**Hα-helixtrans-89.2-16.8178.2176.70000111.5V230 V231 P236V230-V234 HydrophobicContact CG1-CG2 4.14Å; V230-V234 WeakPolarHBondContact O-CB 3.35Å; V230-V234 VanDerWaalsContact O-CG2 3.27Å; V230-V234 WeakPolarHBondContact O-CG2 3.21Å; V230-V234 PolarHBondContact O-N 2.87Å; V231-V234 PolarHBondContact O-N 3.2Å; V234-P236 WeakPolarHBondContact O-CD 3.3Å; V234-P236 VanDerWaalsContact O-N 3.09Å
235W84.3Confident86.3Confident184 Ų184109.5 Ų109.570%0.69763%0.631SS**SBendtrans-61.8114.8175-159.6-80.4000108.7V231 V232 T237V231-W235 HydrophobicContact CG1-CE3 4.32Å; V231-W235 WeakPolarHBondContact O-CB 3.34Å; V231-W235 PolarHBondContact O-N 2.99Å; V232-W235 PolarHBondContact O-N 3.45Å; W235-T237 PolarHBondContact O-N 2.88Å
236P72.7Confident85.8Confident110 Ų110109.8 Ų109.871%0.71464%0.638SS**  trans-68.2107.5178.428.2-30.8000107.3V234V234-P236 WeakPolarHBondContact O-CD 3.3Å; V234-P236 VanDerWaalsContact O-N 3.09Å
237T61.7Low85.2Confident202 Ų202110.6 Ų110.6100%1.23965%0.648SS**  trans-62.50163.950.30000110.3W235W235-T237 PolarHBondContact O-N 2.88Å

Retrieved 237 of 237 residues in 55.1 ms (Link to these results)

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