A0A087XAG1_POEFO Loading...

Peroxisomal biogenesis factor 11 gamma

AlphaFold DB , UniProt , Accession A0A087XAG1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 251 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
1M63.2Low82.3Confident197 Ų197107.9 Ų107.997%0.9755%0.552SS**  0-52.40-155.2168.892.800111.6Q3 S4 V5M1-Q3 PolarHBondContact O-N 3.2Å; M1-S4 WeakPolarHBondContact O-CB 3.45Å; M1-S4 PolarHBondContact O-N 3.49Å; M1-V5 WeakPolarHBondContact O-CG2 2.97Å; M1-V5 PolarHBondContact O-N 2.92Å; M1-V5 VanDerWaalsContact O-N 3.14Å
2Q74.8Confident82.9Confident147 Ų147104.3 Ų104.369%0.68753%0.534SS*.Hα-helixtrans-59.4-46.4-178.8-166.8154.1-11.600114.2S4 V5 E6Q2-S4 VanDerWaalsContact C-N 3.27Å; Q2-S4 PolarHBondContact O-N 3.08Å; Q2-V5 PolarHBondContact O-N 3.33Å; Q2-V5 VanDerWaalsContact O-N 3.17Å; Q2-E6 WeakPolarHBondContact O-CG 3.48Å; Q2-E6 PolarHBondContact O-N 3.43Å
3Q77.1Confident83.6Confident156 Ų156106.8 Ų106.873%0.72954%0.543SS*.Hα-helixtrans-60.1-34175.4-70.3176.5-20.700113.7M1 S7M1-Q3 PolarHBondContact O-N 3.2Å; Q3-S7 WeakPolarHBondContact O-CB 3.25Å; Q3-S7 PolarHBondContact O-N 3.03Å; Q3-S7 PolarHBondContact O-OG 3.49Å
4S81.9Confident84.1Confident82 Ų82103.6 Ų103.657%0.57353%0.531SS*.Hα-helixtrans-71.4-39177.9-48.50000111.5M1 Q2 L8M1-S4 WeakPolarHBondContact O-CB 3.45Å; M1-S4 PolarHBondContact O-N 3.49Å; Q2-S4 VanDerWaalsContact C-N 3.27Å; Q2-S4 PolarHBondContact O-N 3.08Å; S4-L8 PolarHBondContact O-N 2.98Å; S4-L8 VanDerWaalsContact O-N 3.08Å
5V86Confident84.5Confident81 Ų81102 Ų10249%0.49152%0.516SS..Hα-helixtrans-66.7-46.4175.2175.30000110.4M1 Q2 S7 L8 V9M1-V5 WeakPolarHBondContact O-CG2 2.97Å; M1-V5 PolarHBondContact O-N 2.92Å; M1-V5 VanDerWaalsContact O-N 3.14Å; Q2-V5 PolarHBondContact O-N 3.33Å; Q2-V5 VanDerWaalsContact O-N 3.17Å; V5-S7 VanDerWaalsContact C-N 3.32Å; V5-S7 PolarHBondContact O-N 2.59Å; V5-L8 WeakPolarHBondContact O-CB 3.26Å; V5-L8 PolarHBondContact O-N 3.04Å; V5-L8 VanDerWaalsContact O-N 3.14Å; V5-V9 HydrophobicContact CG1-CG2 4.47Å; V5-V9 WeakPolarHBondContact O-CG2 3.06Å; V5-V9 PolarHBondContact O-N 3.4Å
6E87.6Confident84.8Confident90 Ų90102.8 Ų102.842%0.42151%0.511SS..Hα-helixtrans-59.5-41.6176.5-73.6170.5-165.300112.4Q2 L8 V9 R10Q2-E6 WeakPolarHBondContact O-CG 3.48Å; Q2-E6 PolarHBondContact O-N 3.43Å; E6-L8 VanDerWaalsContact C-N 3.32Å; E6-L8 PolarHBondContact O-N 3.24Å; E6-V9 PolarHBondContact O-N 3.07Å; E6-R10 WeakPolarHBondContact O-CG 3.38Å; E6-R10 PolarHBondContact O-N 3.42Å
7S83.9Confident85.1Confident73 Ų7396.8 Ų96.851%0.5148%0.481SS..Hα-helixtrans-63.3-39.5176.1-60.30000111.9Q3 V5 L11Q3-S7 WeakPolarHBondContact O-CB 3.25Å; Q3-S7 PolarHBondContact O-N 3.03Å; Q3-S7 PolarHBondContact O-OG 3.49Å; V5-S7 VanDerWaalsContact C-N 3.32Å; V5-S7 PolarHBondContact O-N 2.59Å; S7-L11 PolarHBondContact O-N 3.39Å
8L85.1Confident85.6Confident90 Ų9098.2 Ų98.247%0.47148%0.48SS..Hα-helixtrans-66.6-42.1175.6-179.763.1000111.7S4 V5 E6 L11 L12S4-L8 PolarHBondContact O-N 2.98Å; S4-L8 VanDerWaalsContact O-N 3.08Å; V5-L8 WeakPolarHBondContact O-CB 3.26Å; V5-L8 PolarHBondContact O-N 3.04Å; V5-L8 VanDerWaalsContact O-N 3.14Å; E6-L8 VanDerWaalsContact C-N 3.32Å; E6-L8 PolarHBondContact O-N 3.24Å; L8-L11 HydrophobicContact CD1-CD2 4.49Å; L8-L11 WeakPolarHBondContact O-CB 3Å; L8-L11 PolarHBondContact O-N 2.91Å; L8-L12 HydrophobicContact CD1-CD1 4.3Å; L8-L12 HydrophobicContact CD1-CG 4.35Å; L8-L12 HydrophobicContact CG-CD1 4.07Å; L8-L12 VanDerWaalsContact O-CG 3.31Å; L8-L12 WeakPolarHBondContact O-CG 3.44Å; L8-L12 PolarHBondContact O-N 3.21Å
9V89.6Confident86Confident68 Ų6894.4 Ų94.441%0.41246%0.462SS..Hα-helixtrans-59.2-50.8175.8171.10000110.2V5 E6 L11 L12 E13V5-V9 HydrophobicContact CG1-CG2 4.47Å; V5-V9 WeakPolarHBondContact O-CG2 3.06Å; V5-V9 PolarHBondContact O-N 3.4Å; E6-V9 PolarHBondContact O-N 3.07Å; V9-L11 VanDerWaalsContact C-N 3.25Å; V9-L11 PolarHBondContact O-N 2.93Å; V9-L12 PolarHBondContact O-N 3.42Å; V9-E13 HydrophobicContact CG1-CG 4.33Å; V9-E13 WeakPolarHBondContact O-CG 3.46Å; V9-E13 PolarHBondContact O-N 2.91Å
10R87.9Confident86.3Confident173 Ų17392.7 Ų92.765%0.65345%0.452SS*.Hα-helixtrans-56.4-39.6176.5-72.1178-178174.72.8112.4E6E6-R10 WeakPolarHBondContact O-CG 3.38Å; E6-R10 PolarHBondContact O-N 3.42Å
11L87.9Confident86.7Confident30 Ų3089.4 Ų89.416%0.15744%0.437CS..Hα-helixtrans-62-47.4175.5-178.468.9000111.3S7 L8 V9 E13 T14 G17 V21 M229S7-L11 PolarHBondContact O-N 3.39Å; L8-L11 HydrophobicContact CD1-CD2 4.49Å; L8-L11 WeakPolarHBondContact O-CB 3Å; L8-L11 PolarHBondContact O-N 2.91Å; V9-L11 VanDerWaalsContact C-N 3.25Å; V9-L11 PolarHBondContact O-N 2.93Å; L11-E13 VanDerWaalsContact C-N 3.32Å; L11-E13 PolarHBondContact O-N 3.3Å; L11-T14 PolarHBondContact O-N 3.31Å; L11-T14 PolarHBondContact O-OG1 2.92Å; L11-G17 WeakPolarHBondContact O-CA 3.41Å; L11-V21 HydrophobicContact CD2-CG2 3.82Å; L11-V21 HydrophobicContact CG-CG2 4.45Å; L11-M229 HydrophobicContact CD1-CE 3.44Å; L11-M229 VanDerWaalsContact CD1-CE 3.44Å; L11-M229 HydrophobicContact CD1-SD 3.72Å
12L90Very high88.3Confident64 Ų6481.1 Ų81.134%0.33540%0.397SS..Hα-helixtrans-70.5-24.6-177.1-70.1173.5000114.2L8 V9 T14 R18 V21L8-L12 HydrophobicContact CD1-CD1 4.3Å; L8-L12 HydrophobicContact CD1-CG 4.35Å; L8-L12 HydrophobicContact CG-CD1 4.07Å; L8-L12 VanDerWaalsContact O-CG 3.31Å; L8-L12 WeakPolarHBondContact O-CG 3.44Å; L8-L12 PolarHBondContact O-N 3.21Å; V9-L12 PolarHBondContact O-N 3.42Å; L12-T14 VanDerWaalsContact C-N 3.26Å; L12-R18 PolarHBondContact O-NE 3.35Å; L12-R18 PolarHBondContact O-NH2 3.45Å; L12-R18 VanDerWaalsContact O-NH2 3.13Å; L12-V21 HydrophobicContact CD2-CB 4.07Å; L12-V21 HydrophobicContact CD2-CG1 4.03Å; L12-V21 HydrophobicContact CD2-CG2 3.99Å
13E92.4Very high89.3Confident138 Ų13875.9 Ų75.965%0.64537%0.371SS*.Hα-helixtrans-71-22.8173.6-74.8176.7160.800112.2V9 L11V9-E13 HydrophobicContact CG1-CG 4.33Å; V9-E13 WeakPolarHBondContact O-CG 3.46Å; V9-E13 PolarHBondContact O-N 2.91Å; L11-E13 VanDerWaalsContact C-N 3.32Å; L11-E13 PolarHBondContact O-N 3.3Å
14T90.5Very high90.3Very high61 Ų6170.4 Ų70.437%0.37435%0.348SS..SBendtrans-85.4141173.971.10000111.7L11 L12 R16 G17 R18L11-T14 PolarHBondContact O-N 3.31Å; L11-T14 PolarHBondContact O-OG1 2.92Å; L12-T14 VanDerWaalsContact C-N 3.26Å; T14-R16 PolarHBondContact O-N 3.06Å; T14-G17 PolarHBondContact O-N 3.28Å; T14-G17 WeakPolarHBondContact OG1-CA 3.2Å; T14-G17 PolarHBondContact OG1-N 3.31Å; T14-R18 WeakPolarHBondContact O-CB 3.43Å; T14-R18 PolarHBondContact O-N 3.05Å
15Y89.7Confident91Very high80 Ų8072.2 Ų72.231%0.31435%0.346SS..Hα-helixtrans-55.9-49.6174.9175.1-100.8000112.2R18 D19 L67 D71Y15-R18 PolarHBondContact O-N 3.32Å; Y15-D19 PolarHBondContact O-N 3.45Å; Y15-L67 HydrophobicContact CE2-CB 4.43Å; Y15-L67 PolarHBondContact OH-O 3.49Å; Y15-D71 WeakPolarHBondContact CE1-OD1 3.08Å; Y15-D71 PolarHBondContact OH-OD1 3.03Å
16R88.6Confident91.6Very high115 Ų11568.5 Ų68.543%0.43432%0.323SS..Hα-helixtrans-67.9-36.4-179.6-65.9-62.2-173.1-166.6-0.5113T14 K20 D71T14-R16 PolarHBondContact O-N 3.06Å; R16-K20 WeakPolarHBondContact O-CG 3.23Å; R16-K20 PolarHBondContact O-N 3.47Å; R16-K20 VanDerWaalsContact O-N 3.15Å; R16-D71 IonicContact NH1-OD1 3.84Å; R16-D71 IonicContact NH1-OD2 2.78Å; R16-D71 PolarHBondContact NH1-OD2 2.98Å
17G90.8Very high92.1Very high0 Ų064.7 Ų64.70%031%0.305CS..Hα-helixtrans-66.8-42.617600000111.8L11 T14 K20 V21L11-G17 WeakPolarHBondContact O-CA 3.41Å; T14-G17 PolarHBondContact O-N 3.28Å; T14-G17 WeakPolarHBondContact OG1-CA 3.2Å; T14-G17 PolarHBondContact OG1-N 3.31Å; G17-K20 PolarHBondContact O-N 2.83Å; G17-V21 WeakPolarHBondContact O-CG2 3.46Å; G17-V21 PolarHBondContact O-N 3.42Å
18R93.3Very high92.8Very high123 Ų12362.3 Ų62.346%0.46429%0.292SS..Hα-helixtrans-60.1-48.4174.3-169.3-179.2-58.1174.13.7112.4L12 T14 Y15 K20 V21 I22L12-R18 PolarHBondContact O-NE 3.35Å; L12-R18 PolarHBondContact O-NH2 3.45Å; L12-R18 VanDerWaalsContact O-NH2 3.13Å; T14-R18 WeakPolarHBondContact O-CB 3.43Å; T14-R18 PolarHBondContact O-N 3.05Å; Y15-R18 PolarHBondContact O-N 3.32Å; R18-K20 VanDerWaalsContact C-N 3.32Å; R18-K20 PolarHBondContact O-N 2.91Å; R18-V21 PolarHBondContact O-N 3Å; R18-I22 HydrophobicContact CG-CD1 3.83Å; R18-I22 HydrophobicContact CG-CG1 4.37Å; R18-I22 VanDerWaalsContact O-CG1 3.3Å; R18-I22 WeakPolarHBondContact O-CG1 3.34Å; R18-I22 PolarHBondContact O-N 2.93Å
19D93.1Very high93.4Very high25 Ų2558.7 Ų58.713%0.13427%0.274CS..Hα-helixtrans-57.6-44.9176.9176.864.6000111.6Y15 V21 I22 R23 R64Y15-D19 PolarHBondContact O-N 3.45Å; D19-V21 VanDerWaalsContact C-N 3.34Å; D19-V21 PolarHBondContact O-N 2.87Å; D19-I22 PolarHBondContact O-N 3.2Å; D19-R23 WeakPolarHBondContact O-CB 3.31Å; D19-R23 PolarHBondContact O-N 3.34Å; D19-R64 IonicContact OD1-CZ 2.69Å; D19-R64 IonicContact OD1-NE 3.24Å; D19-R64 PolarHBondContact OD1-NE 3.08Å; D19-R64 IonicContact OD1-NH2 2.93Å; D19-R64 PolarHBondContact OD1-NH2 2.86Å; D19-R64 IonicContact OD2-NE 3.34Å; D19-R64 IonicContact OD2-NH2 3.57Å; D19-R64 PolarHBondContact OD2-NH2 3.45Å
20K93Very high93.8Very high60 Ų6056.9 Ų56.926%0.26126%0.261SS..Hα-helixtrans-62-39.5177.8-75.8-172.1-179.4-179.40113R16 G17 R18 T24 G225 L226 M229R16-K20 WeakPolarHBondContact O-CG 3.23Å; R16-K20 PolarHBondContact O-N 3.47Å; R16-K20 VanDerWaalsContact O-N 3.15Å; G17-K20 PolarHBondContact O-N 2.83Å; R18-K20 VanDerWaalsContact C-N 3.32Å; R18-K20 PolarHBondContact O-N 2.91Å; K20-T24 WeakPolarHBondContact O-CB 3.23Å; K20-T24 PolarHBondContact O-N 2.9Å; K20-T24 PolarHBondContact O-OG1 2.95Å; K20-G225 PolarHBondContact NZ-O 3.06Å; K20-L226 HydrophobicContact CB-CD2 3.92Å; K20-L226 HydrophobicContact CD-CD2 4.37Å; K20-M229 HydrophobicContact CD-CB 4.47Å; K20-M229 HydrophobicContact CD-SD 3.73Å
21V94.4Very high94.3Very high24 Ų2450.9 Ų50.915%0.14524%0.242CC..Hα-helixtrans-66.1-49.2176173.30000110.6L11 L12 G17 R18 D19 R23 T24 F25L11-V21 HydrophobicContact CD2-CG2 3.82Å; L11-V21 HydrophobicContact CG-CG2 4.45Å; L12-V21 HydrophobicContact CD2-CB 4.07Å; L12-V21 HydrophobicContact CD2-CG1 4.03Å; L12-V21 HydrophobicContact CD2-CG2 3.99Å; G17-V21 WeakPolarHBondContact O-CG2 3.46Å; G17-V21 PolarHBondContact O-N 3.42Å; R18-V21 PolarHBondContact O-N 3Å; D19-V21 VanDerWaalsContact C-N 3.34Å; D19-V21 PolarHBondContact O-N 2.87Å; V21-R23 VanDerWaalsContact C-N 3.3Å; V21-R23 PolarHBondContact O-N 3.48Å; V21-T24 WeakPolarHBondContact O-CB 3.38Å; V21-T24 PolarHBondContact O-N 3.28Å; V21-T24 VanDerWaalsContact O-N 3.11Å; V21-F25 HydrophobicContact CG1-CD2 3.62Å; V21-F25 HydrophobicContact CG1-CE2 3.49Å; V21-F25 VanDerWaalsContact CG1-CE2 3.49Å; V21-F25 VanDerWaalsContact O-CD2 3.28Å; V21-F25 WeakPolarHBondContact O-CD2 3.26Å; V21-F25 PolarHBondContact O-N 2.75Å
22I96.6Very high94.7Very high23 Ų2352.9 Ų52.912%0.11826%0.255CS..Hα-helixtrans-57.9-45.2177.6-65.3169000110.4R18 D19 T24 F25 C26 L60 R64 L67R18-I22 HydrophobicContact CG-CD1 3.83Å; R18-I22 HydrophobicContact CG-CG1 4.37Å; R18-I22 VanDerWaalsContact O-CG1 3.3Å; R18-I22 WeakPolarHBondContact O-CG1 3.34Å; R18-I22 PolarHBondContact O-N 2.93Å; D19-I22 PolarHBondContact O-N 3.2Å; I22-T24 VanDerWaalsContact C-N 3.32Å; I22-T24 PolarHBondContact O-N 3.46Å; I22-F25 PolarHBondContact O-N 2.96Å; I22-C26 VanDerWaalsContact O-CB 3.23Å; I22-C26 WeakPolarHBondContact O-CB 3.14Å; I22-C26 PolarHBondContact O-N 2.92Å; I22-L60 HydrophobicContact CG2-CB 4Å; I22-L60 HydrophobicContact CG2-CD2 4.12Å; I22-R64 HydrophobicContact CB-CG 4.18Å; I22-R64 HydrophobicContact CG2-CG 3.43Å; I22-R64 VanDerWaalsContact CG2-CG 3.43Å; I22-L67 HydrophobicContact CD1-CD1 3.66Å
23R97Very high95.1Very high37 Ų3749.8 Ų49.814%0.1424%0.239CC..Hα-helixtrans-58-43.9176.3-177.1176.7163.6127.59.6112.3D19 V21 C26 Y27 R64 D191 S221 S222D19-R23 WeakPolarHBondContact O-CB 3.31Å; D19-R23 PolarHBondContact O-N 3.34Å; V21-R23 VanDerWaalsContact C-N 3.3Å; V21-R23 PolarHBondContact O-N 3.48Å; R23-C26 WeakPolarHBondContact O-CB 3.24Å; R23-C26 PolarHBondContact O-N 2.72Å; R23-Y27 HydrophobicContact CG-CD2 3.82Å; R23-Y27 HydrophobicContact CG-CE2 3.89Å; R23-Y27 WeakPolarHBondContact O-CD2 3.29Å; R23-Y27 PolarHBondContact O-N 3.11Å; R23-R64 VanDerWaalsContact CG-CZ 3.47Å; R23-D191 IonicContact CZ-OD1 3.91Å; R23-D191 IonicContact CZ-OD2 3.35Å; R23-D191 IonicContact NH1-OD2 3.12Å; R23-D191 PolarHBondContact NH1-OD2 3.04Å; R23-D191 IonicContact NH2-OD1 3.49Å; R23-D191 PolarHBondContact NH2-OD1 3.09Å; R23-D191 IonicContact NH2-OD2 3.91Å; R23-D191 PolarHBondContact NH2-OD2 3.37Å; R23-S221 PolarHBondContact NH2-OG 3.16Å; R23-S222 VanDerWaalsContact CG-OG 3.29Å; R23-S222 WeakPolarHBondContact CG-OG 3.3Å; R23-S222 PolarHBondContact NE-OG 3.39Å
24T97.1Very high95.2Very high41 Ų4143.4 Ų43.425%0.25221%0.21SC..Hα-helixtrans-65.1-46.1-179.3-58.50000111K20 V21 I22 G28 L226K20-T24 WeakPolarHBondContact O-CB 3.23Å; K20-T24 PolarHBondContact O-N 2.9Å; K20-T24 PolarHBondContact O-OG1 2.95Å; V21-T24 WeakPolarHBondContact O-CB 3.38Å; V21-T24 PolarHBondContact O-N 3.28Å; V21-T24 VanDerWaalsContact O-N 3.11Å; I22-T24 VanDerWaalsContact C-N 3.32Å; I22-T24 PolarHBondContact O-N 3.46Å; T24-G28 PolarHBondContact O-N 2.83Å; T24-L226 HydrophobicContact CG2-CD1 4.21Å; T24-L226 WeakPolarHBondContact OG1-CD1 3.46Å
25F97.6Very high95.4Very high121 Ų12142.3 Ų42.353%0.53121%0.207SC..Hα-helixtrans-65.1-39.8174.4-77.3-70.2000112.1V21 I22 G28 S29 F56 L60V21-F25 HydrophobicContact CG1-CD2 3.62Å; V21-F25 HydrophobicContact CG1-CE2 3.49Å; V21-F25 VanDerWaalsContact CG1-CE2 3.49Å; V21-F25 VanDerWaalsContact O-CD2 3.28Å; V21-F25 WeakPolarHBondContact O-CD2 3.26Å; V21-F25 PolarHBondContact O-N 2.75Å; I22-F25 PolarHBondContact O-N 2.96Å; F25-G28 PolarHBondContact O-N 2.62Å; F25-S29 VanDerWaalsContact O-CB 3.26Å; F25-S29 WeakPolarHBondContact O-CB 3.3Å; F25-S29 PolarHBondContact O-N 2.99Å; F25-S29 PolarHBondContact O-OG 3.29Å; F25-F56 HydrophobicContact CB-CE1 4.5Å; F25-L60 HydrophobicContact CB-CD1 3.57Å
26C98.1Very high95.6Very high2 Ų240.1 Ų40.11%0.01420%0.201CC..Hα-helixtrans-54.9-60.3177177.40000111.2I22 R23 S29 Q30 S57 L60I22-C26 VanDerWaalsContact O-CB 3.23Å; I22-C26 WeakPolarHBondContact O-CB 3.14Å; I22-C26 PolarHBondContact O-N 2.92Å; R23-C26 WeakPolarHBondContact O-CB 3.24Å; R23-C26 PolarHBondContact O-N 2.72Å; C26-S29 PolarHBondContact O-N 3.44Å; C26-Q30 PolarHBondContact O-N 3.34Å; C26-S57 VanDerWaalsContact O-CB 3.26Å; C26-S57 WeakPolarHBondContact O-CB 3.34Å; C26-S57 PolarHBondContact O-OG 2.92Å; C26-S57 PolarHBondContact SG-O 3.39Å; C26-L60 HydrophobicContact CB-CB 3.77Å; C26-L60 HydrophobicContact CB-CD1 4.26Å
27Y98.3Very high95.8Very high11 Ų1136.5 Ų36.54%0.04319%0.191CC..Hα-helixtrans-72.9-31-177.2-72.5-62000113.2R23 Q30 L31 W198 G215 G218 S219R23-Y27 HydrophobicContact CG-CD2 3.82Å; R23-Y27 HydrophobicContact CG-CE2 3.89Å; R23-Y27 WeakPolarHBondContact O-CD2 3.29Å; R23-Y27 PolarHBondContact O-N 3.11Å; Y27-Q30 WeakPolarHBondContact O-CB 3.38Å; Y27-Q30 PolarHBondContact O-N 3.47Å; Y27-L31 WeakPolarHBondContact O-CB 3.46Å; Y27-L31 PolarHBondContact O-N 2.79Å; Y27-W198 WeakPolarHBondContact OH-CH2 3.49Å; Y27-G215 WeakPolarHBondContact O-CA 3.41Å; Y27-G218 VanDerWaalsContact CG-CA 3.49Å; Y27-S219 PolarHBondContact O-OG 3.32Å
28G98.1Very high95.6Very high23 Ų2342.3 Ų42.324%0.23722%0.218CC..Hα-helixtrans-63.6-44.4174.200000111.9T24 F25 Q30 L31 V32 S219T24-G28 PolarHBondContact O-N 2.83Å; F25-G28 PolarHBondContact O-N 2.62Å; G28-Q30 VanDerWaalsContact C-N 3.35Å; G28-L31 PolarHBondContact O-N 3.29Å; G28-V32 WeakPolarHBondContact O-CG2 3.35Å; G28-V32 PolarHBondContact O-N 3.49Å; G28-S219 PolarHBondContact N-OG 2.94Å
29S97.7Very high94.9Very high13 Ų1343 Ų439%0.09123%0.225CC..Hα-helixtrans-67.2-35.1173.5-62.30000112.2F25 C26 G33 L53 F56F25-S29 VanDerWaalsContact O-CB 3.26Å; F25-S29 WeakPolarHBondContact O-CB 3.3Å; F25-S29 PolarHBondContact O-N 2.99Å; F25-S29 PolarHBondContact O-OG 3.29Å; C26-S29 PolarHBondContact O-N 3.44Å; S29-G33 WeakPolarHBondContact O-CA 3.46Å; S29-G33 PolarHBondContact O-N 3.44Å; S29-L53 WeakPolarHBondContact CB-O 3.27Å; S29-F56 WeakPolarHBondContact OG-CD1 3.49Å
30Q98.2Very high93.5Very high31 Ų3147.2 Ų47.215%0.14526%0.263CS..Hα-helixtrans-64.1-41.6173.5-160.5177.9-2.300112.4C26 Y27 G28 G34 L54 S57C26-Q30 PolarHBondContact O-N 3.34Å; Y27-Q30 WeakPolarHBondContact O-CB 3.38Å; Y27-Q30 PolarHBondContact O-N 3.47Å; G28-Q30 VanDerWaalsContact C-N 3.35Å; Q30-G34 WeakPolarHBondContact O-CA 3.39Å; Q30-G34 PolarHBondContact O-N 3.49Å; Q30-L54 HydrophobicContact CG-CD2 4.21Å; Q30-S57 WeakPolarHBondContact CB-OG 3.48Å
31L98.1Very high92.2Very high46 Ų4649.3 Ų49.324%0.24129%0.292CS..Hα-helixtrans-60.9-57.2176.8171.457.2000110.7Y27 G28 G34 A35 W212 L216Y27-L31 WeakPolarHBondContact O-CB 3.46Å; Y27-L31 PolarHBondContact O-N 2.79Å; G28-L31 PolarHBondContact O-N 3.29Å; L31-G34 PolarHBondContact O-N 3.41Å; L31-A35 WeakPolarHBondContact O-CB 3.48Å; L31-A35 PolarHBondContact O-N 3.49Å; L31-W212 HydrophobicContact CD1-CB 4.27Å; L31-W212 HydrophobicContact CD1-CE3 4.49Å; L31-W212 WeakPolarHBondContact CD1-O 3.38Å; L31-L216 HydrophobicContact CD1-CB 3.92Å; L31-L216 HydrophobicContact CD1-CD1 4.48Å; L31-L216 HydrophobicContact CD2-CD1 4.24Å
32V97.2Very high91.2Very high72 Ų7249.4 Ų49.444%0.43630%0.295SS..Hα-helixtrans-66.1-45.5-177.4178.50000110.5G28 G34 A35 L36 L53G28-V32 WeakPolarHBondContact O-CG2 3.35Å; G28-V32 PolarHBondContact O-N 3.49Å; V32-G34 PolarHBondContact O-N 3.09Å; V32-A35 PolarHBondContact O-N 3.14Å; V32-L36 HydrophobicContact CG1-CD1 3.92Å; V32-L36 HydrophobicContact CG1-CG 4.27Å; V32-L36 WeakPolarHBondContact O-CB 3.47Å; V32-L36 VanDerWaalsContact O-CG 3.3Å; V32-L36 WeakPolarHBondContact O-CG 3.48Å; V32-L36 PolarHBondContact O-N 3.17Å; V32-L53 HydrophobicContact CB-CD1 4.05Å; V32-L53 HydrophobicContact CG1-CD1 3.59Å
33G96.6Very high90.6Very high0 Ų052.4 Ų52.40%031%0.312CS..Hα-helixtrans-62.2-42.3178.900000112.9S29 T37 G50S29-G33 WeakPolarHBondContact O-CA 3.46Å; S29-G33 PolarHBondContact O-N 3.44Å; G33-T37 WeakPolarHBondContact O-CB 3.45Å; G33-T37 WeakPolarHBondContact O-CG2 3.38Å; G33-T37 PolarHBondContact O-N 2.6Å; G33-T37 PolarHBondContact O-OG1 3.35Å; G33-G50 WeakPolarHBondContact CA-O 3.27Å
34G95.8Very high90.1Very high3 Ų354.9 Ų54.93%0.03134%0.339CS..Hα-helixtrans-63.9-41.7174.100000112.7Q30 L31 V32 T37 Q38Q30-G34 WeakPolarHBondContact O-CA 3.39Å; Q30-G34 PolarHBondContact O-N 3.49Å; L31-G34 PolarHBondContact O-N 3.41Å; V32-G34 PolarHBondContact O-N 3.09Å; G34-T37 PolarHBondContact O-N 3.14Å; G34-T37 PolarHBondContact O-OG1 3.21Å; G34-T37 VanDerWaalsContact O-OG1 3.12Å; G34-Q38 WeakPolarHBondContact O-CB 3.47Å; G34-Q38 PolarHBondContact O-N 3.1Å
35A95.2Very high89.7Confident38 Ų3856.6 Ų56.631%0.31435%0.353SS..Hα-helixtrans-69.5-38.7-179.900000112.2L31 V32 W212L31-A35 WeakPolarHBondContact O-CB 3.48Å; L31-A35 PolarHBondContact O-N 3.49Å; V32-A35 PolarHBondContact O-N 3.14Å; A35-W212 HydrophobicContact CB-CB 4.27Å
36L94.1Very high89.3Confident35 Ų3552.3 Ų52.318%0.18334%0.338CS..Hα-helixtrans-67.4-39.4176.6-71.7176.6000112.1V32 Q47 L49 L53V32-L36 HydrophobicContact CG1-CD1 3.92Å; V32-L36 HydrophobicContact CG1-CG 4.27Å; V32-L36 WeakPolarHBondContact O-CB 3.47Å; V32-L36 VanDerWaalsContact O-CG 3.3Å; V32-L36 WeakPolarHBondContact O-CG 3.48Å; V32-L36 PolarHBondContact O-N 3.17Å; L36-Q47 PolarHBondContact O-NE2 2.9Å; L36-Q47 VanDerWaalsContact O-NE2 3.15Å; L36-L49 HydrophobicContact CD1-CB 4.4Å; L36-L49 HydrophobicContact CD1-CD2 3.97Å; L36-L49 HydrophobicContact CD1-CG 4.03Å; L36-L53 HydrophobicContact CD1-CD1 4.15Å
37T91.2Very high89Confident39 Ų3954.4 Ų54.424%0.23935%0.348CS..Hα-helixtrans-75.3-31.8-179.848.90000113.2G33 G34 K39 Q47 K51 L54G33-T37 WeakPolarHBondContact O-CB 3.45Å; G33-T37 WeakPolarHBondContact O-CG2 3.38Å; G33-T37 PolarHBondContact O-N 2.6Å; G33-T37 PolarHBondContact O-OG1 3.35Å; G34-T37 PolarHBondContact O-N 3.14Å; G34-T37 PolarHBondContact O-OG1 3.21Å; G34-T37 VanDerWaalsContact O-OG1 3.12Å; T37-K39 VanDerWaalsContact C-N 3.34Å; T37-K39 PolarHBondContact O-N 3.14Å; T37-Q47 PolarHBondContact O-NE2 3.35Å; T37-K51 HydrophobicContact CG2-CG 4.19Å; T37-L54 HydrophobicContact CG2-CD1 4.02Å
38Q86.3Confident88.8Confident121 Ų12163.5 Ų63.557%0.56538%0.382SS*.Hα-helixtrans-72.1-24.8179.6-165.8-174.914.500113.7G34 A40G34-Q38 WeakPolarHBondContact O-CB 3.47Å; G34-Q38 PolarHBondContact O-N 3.1Å; Q38-A40 PolarHBondContact O-N 3.12Å
39K80.2Confident88.6Confident137 Ų13766.9 Ų66.960%0.59639%0.394SS*.  trans-67.6106-179.5-80.6-178.6179.1-1770110.6T37 A41 A42 Q47T37-K39 VanDerWaalsContact C-N 3.34Å; T37-K39 PolarHBondContact O-N 3.14Å; K39-A41 PolarHBondContact O-N 3.01Å; K39-A41 VanDerWaalsContact O-N 3.13Å; K39-A42 HydrophobicContact CB-CB 3.82Å; K39-A42 WeakPolarHBondContact O-CB 3.36Å; K39-A42 PolarHBondContact O-N 2.58Å; K39-Q47 PolarHBondContact O-NE2 3.3Å
40A62.8Low88.6Confident114 Ų11466.3 Ų66.394%0.94239%0.39SS*.THydrogen-bonded Turntrans-59.5-22.2179.600000114.2Q38Q38-A40 PolarHBondContact O-N 3.12Å
41A66.3Low88.4Confident105 Ų10571.6 Ų71.687%0.86841%0.413SS*.THydrogen-bonded Turntrans-106.412.9177.400000113.6K39K39-A41 PolarHBondContact O-N 3.01Å; K39-A41 VanDerWaalsContact O-N 3.13Å
42A72.1Confident88.4Confident26 Ų2672.7 Ų72.722%0.21542%0.424CS..  trans-70135.317600000110.3K39 Q47K39-A42 HydrophobicContact CB-CB 3.82Å; K39-A42 WeakPolarHBondContact O-CB 3.36Å; K39-A42 PolarHBondContact O-N 2.58Å; A42-Q47 HydrophobicContact CB-CG 4.18Å
43D84.8Confident88.5Confident86 Ų8671 Ų7146%0.4641%0.413SS..  trans-62.5160.2175.669.7-55.9000111.5S45 S46 Q47D43-S45 PolarHBondContact O-N 3Å; D43-S45 VanDerWaalsContact OD2-CB 3.3Å; D43-S45 WeakPolarHBondContact OD2-CB 3.47Å; D43-S45 PolarHBondContact OD2-N 3.37Å; D43-S45 PolarHBondContact OD2-OG 3.33Å; D43-S46 PolarHBondContact O-N 2.92Å; D43-S46 VanDerWaalsContact O-N 3.12Å; D43-S46 WeakPolarHBondContact OD1-CB 3.12Å; D43-S46 PolarHBondContact OD1-OG 3.24Å; D43-Q47 PolarHBondContact O-N 3.02Å; D43-Q47 VanDerWaalsContact O-N 3.15Å
44A87.4Confident88.5Confident88 Ų8873.2 Ų73.273%0.72742%0.424SS*.Hα-helixtrans-57.8-28.1-175.400000113.3R48A44-R48 PolarHBondContact O-N 3.03Å; A44-R48 VanDerWaalsContact O-N 3.15Å
45S88.7Confident88.6Confident78 Ų7878.6 Ų78.655%0.54545%0.451SS..Hα-helixtrans-71.9-45178.286.60000111.9D43 Q47 R48 L49D43-S45 PolarHBondContact O-N 3Å; D43-S45 VanDerWaalsContact OD2-CB 3.3Å; D43-S45 WeakPolarHBondContact OD2-CB 3.47Å; D43-S45 PolarHBondContact OD2-N 3.37Å; D43-S45 PolarHBondContact OD2-OG 3.33Å; S45-Q47 VanDerWaalsContact C-N 3.33Å; S45-Q47 PolarHBondContact O-N 3.43Å; S45-R48 PolarHBondContact O-N 3.35Å; S45-L49 PolarHBondContact O-N 3.4Å
46S88.8Confident88.8Confident30 Ų3081.2 Ų81.221%0.2146%0.456CS..Hα-helixtrans-61.7-39.6175.7-69.40000112.3D43 L49 G50D43-S46 PolarHBondContact O-N 2.92Å; D43-S46 VanDerWaalsContact O-N 3.12Å; D43-S46 WeakPolarHBondContact OD1-CB 3.12Å; D43-S46 PolarHBondContact OD1-OG 3.24Å; S46-L49 PolarHBondContact O-N 2.96Å; S46-G50 PolarHBondContact O-N 3.33Å
47Q91.7Very high89Confident47 Ų4779.9 Ų79.922%0.2245%0.45CS..Hα-helixtrans-65-40.9175.7-74.1-69.1-23.300112.1L36 T37 K39 A42 D43 S45 G50 K51L36-Q47 PolarHBondContact O-NE2 2.9Å; L36-Q47 VanDerWaalsContact O-NE2 3.15Å; T37-Q47 PolarHBondContact O-NE2 3.35Å; K39-Q47 PolarHBondContact O-NE2 3.3Å; A42-Q47 HydrophobicContact CB-CG 4.18Å; D43-Q47 PolarHBondContact O-N 3.02Å; D43-Q47 VanDerWaalsContact O-N 3.15Å; S45-Q47 VanDerWaalsContact C-N 3.33Å; S45-Q47 PolarHBondContact O-N 3.43Å; Q47-G50 PolarHBondContact O-N 3.01Å; Q47-K51 WeakPolarHBondContact O-CG 3.41Å; Q47-K51 PolarHBondContact O-N 3.32Å
48R93.8Very high89.3Confident201 Ų20180.6 Ų80.676%0.75846%0.459SS*.Hα-helixtrans-64.3-45.7175.1-173.5-177-65.7-174.2-1.1111.5A44 S45 G50 K51 S52A44-R48 PolarHBondContact O-N 3.03Å; A44-R48 VanDerWaalsContact O-N 3.15Å; S45-R48 PolarHBondContact O-N 3.35Å; R48-G50 VanDerWaalsContact C-N 3.34Å; R48-G50 PolarHBondContact O-N 2.87Å; R48-K51 PolarHBondContact O-N 3.02Å; R48-S52 PolarHBondContact O-N 3.47Å
49L94.9Very high89.8Confident95 Ų9580.4 Ų80.450%0.49746%0.458SS..Hα-helixtrans-60.5-44.7175.7179.261000111.1L36 S45 S46 K51 S52 L53L36-L49 HydrophobicContact CD1-CB 4.4Å; L36-L49 HydrophobicContact CD1-CD2 3.97Å; L36-L49 HydrophobicContact CD1-CG 4.03Å; S45-L49 PolarHBondContact O-N 3.4Å; S46-L49 PolarHBondContact O-N 2.96Å; L49-K51 PolarHBondContact O-N 3.25Å; L49-S52 WeakPolarHBondContact O-CB 3.39Å; L49-S52 PolarHBondContact O-N 3.15Å; L49-S52 VanDerWaalsContact O-N 3.16Å; L49-L53 HydrophobicContact CD1-CD1 4.32Å; L49-L53 HydrophobicContact CD1-CG 4.24Å; L49-L53 HydrophobicContact CG-CD1 4.1Å; L49-L53 HydrophobicContact CG-CG 4.45Å; L49-L53 WeakPolarHBondContact O-CG 3.15Å; L49-L53 PolarHBondContact O-N 3.46Å
50G95.9Very high90.7Very high0 Ų075.2 Ų75.20%044%0.437CS..Hα-helixtrans-59.5-44.917900000112.9G33 S46 Q47 R48 S52 L53 L54G33-G50 WeakPolarHBondContact CA-O 3.27Å; S46-G50 PolarHBondContact O-N 3.33Å; Q47-G50 PolarHBondContact O-N 3.01Å; R48-G50 VanDerWaalsContact C-N 3.34Å; R48-G50 PolarHBondContact O-N 2.87Å; G50-S52 PolarHBondContact O-N 2.98Å; G50-L53 PolarHBondContact O-N 3.29Å; G50-L54 WeakPolarHBondContact O-CG 3.33Å; G50-L54 PolarHBondContact O-N 3.47Å
51K95.8Very high92.3Very high143 Ų14372.2 Ų72.262%0.62241%0.409SS*.Hα-helixtrans-61.8-42173.7-71178.8-178.1-177.30112.4T37 Q47 R48 L49 L54 L55T37-K51 HydrophobicContact CG2-CG 4.19Å; Q47-K51 WeakPolarHBondContact O-CG 3.41Å; Q47-K51 PolarHBondContact O-N 3.32Å; R48-K51 PolarHBondContact O-N 3.02Å; L49-K51 PolarHBondContact O-N 3.25Å; K51-L54 PolarHBondContact O-N 3.39Å; K51-L55 PolarHBondContact O-N 3.32Å
52S97.5Very high93.7Very high69 Ų6971.8 Ų71.848%0.48339%0.389SS..Hα-helixtrans-62.1-43.3176.9-171.90000111.9R48 L49 G50 L55 F56R48-S52 PolarHBondContact O-N 3.47Å; L49-S52 WeakPolarHBondContact O-CB 3.39Å; L49-S52 PolarHBondContact O-N 3.15Å; L49-S52 VanDerWaalsContact O-N 3.16Å; G50-S52 PolarHBondContact O-N 2.98Å; S52-L55 PolarHBondContact O-N 2.87Å; S52-F56 WeakPolarHBondContact O-CB 3.47Å; S52-F56 PolarHBondContact O-N 3.03Å
53L98Very high94.9Very high36 Ų3672.9 Ų72.919%0.18839%0.394CS..Hα-helixtrans-65.9-37.4176.9-71.5173.1000112.7S29 V32 L36 L49 G50 F56 S57S29-L53 WeakPolarHBondContact CB-O 3.27Å; V32-L53 HydrophobicContact CB-CD1 4.05Å; V32-L53 HydrophobicContact CG1-CD1 3.59Å; L36-L53 HydrophobicContact CD1-CD1 4.15Å; L49-L53 HydrophobicContact CD1-CD1 4.32Å; L49-L53 HydrophobicContact CD1-CG 4.24Å; L49-L53 HydrophobicContact CG-CD1 4.1Å; L49-L53 HydrophobicContact CG-CG 4.45Å; L49-L53 WeakPolarHBondContact O-CG 3.15Å; L49-L53 PolarHBondContact O-N 3.46Å; G50-L53 PolarHBondContact O-N 3.29Å; L53-F56 PolarHBondContact O-N 3.37Å; L53-S57 WeakPolarHBondContact O-CB 3.26Å; L53-S57 PolarHBondContact O-N 3.34Å
54L97.8Very high95.4Very high47 Ų4769.7 Ų69.725%0.24638%0.376CS..Hα-helixtrans-66.1-41.4173.7-71.3172.6000111.7Q30 T37 G50 K51 S57 A58Q30-L54 HydrophobicContact CG-CD2 4.21Å; T37-L54 HydrophobicContact CG2-CD1 4.02Å; G50-L54 WeakPolarHBondContact O-CG 3.33Å; G50-L54 PolarHBondContact O-N 3.47Å; K51-L54 PolarHBondContact O-N 3.39Å; L54-S57 WeakPolarHBondContact O-CB 3.39Å; L54-S57 PolarHBondContact O-N 3.16Å; L54-A58 PolarHBondContact O-N 3.5Å
55L98.1Very high95.9Very high115 Ų11565.9 Ų65.960%0.60234%0.344SS*.Hα-helixtrans-62.1-46.1174-174.3105.4000111.1K51 S52 S57 A58 Q59K51-L55 PolarHBondContact O-N 3.32Å; S52-L55 PolarHBondContact O-N 2.87Å; L55-S57 VanDerWaalsContact C-N 3.34Å; L55-S57 PolarHBondContact O-N 3.46Å; L55-A58 WeakPolarHBondContact O-CB 3.32Å; L55-A58 PolarHBondContact O-N 3.14Å; L55-A58 VanDerWaalsContact O-N 3.15Å; L55-Q59 WeakPolarHBondContact O-CG 3.17Å; L55-Q59 PolarHBondContact O-N 3.42Å
56F98.3Very high96.2Very high94 Ų9464.5 Ų64.541%0.41233%0.332SS..Hα-helixtrans-59.8-44.4176.6-179.4-113.8000111.6F25 S29 S52 L53 A58 Q59 L60F25-F56 HydrophobicContact CB-CE1 4.5Å; S29-F56 WeakPolarHBondContact OG-CD1 3.49Å; S52-F56 WeakPolarHBondContact O-CB 3.47Å; S52-F56 PolarHBondContact O-N 3.03Å; L53-F56 PolarHBondContact O-N 3.37Å; F56-A58 VanDerWaalsContact C-N 3.33Å; F56-A58 PolarHBondContact O-N 3Å; F56-Q59 PolarHBondContact O-N 3.11Å; F56-L60 HydrophobicContact CD1-CD1 4.01Å; F56-L60 HydrophobicContact CE1-CD1 3.45Å; F56-L60 VanDerWaalsContact CE1-CD1 3.45Å; F56-L60 HydrophobicContact CE1-CG 4.19Å; F56-L60 HydrophobicContact CE2-CD1 4.28Å; F56-L60 HydrophobicContact CE2-CD2 4.16Å; F56-L60 HydrophobicContact CE2-CG 4.19Å; F56-L60 HydrophobicContact CZ-CD1 3.62Å; F56-L60 HydrophobicContact CZ-CD2 4.09Å; F56-L60 HydrophobicContact CZ-CG 4.02Å; F56-L60 WeakPolarHBondContact O-CG 3.49Å; F56-L60 PolarHBondContact O-N 2.88Å
57S98.2Very high96.5Very high7 Ų764.9 Ų64.95%0.04933%0.332CS..Hα-helixtrans-57-44.2172.7166.20000112.2C26 Q30 L53 L54 L55 Q59 L60 S61C26-S57 VanDerWaalsContact O-CB 3.26Å; C26-S57 WeakPolarHBondContact O-CB 3.34Å; C26-S57 PolarHBondContact O-OG 2.92Å; C26-S57 PolarHBondContact SG-O 3.39Å; Q30-S57 WeakPolarHBondContact CB-OG 3.48Å; L53-S57 WeakPolarHBondContact O-CB 3.26Å; L53-S57 PolarHBondContact O-N 3.34Å; L54-S57 WeakPolarHBondContact O-CB 3.39Å; L54-S57 PolarHBondContact O-N 3.16Å; L55-S57 VanDerWaalsContact C-N 3.34Å; L55-S57 PolarHBondContact O-N 3.46Å; S57-Q59 PolarHBondContact O-N 2.86Å; S57-L60 PolarHBondContact O-N 3.26Å; S57-S61 WeakPolarHBondContact O-CB 3.45Å; S57-S61 PolarHBondContact O-N 3.32Å
58A97.5Very high96.7Very high53 Ų5364 Ų6444%0.43833%0.326SS..Hα-helixtrans-62.2-42.3178.200000112.1L54 L55 F56 S61 H62L54-A58 PolarHBondContact O-N 3.5Å; L55-A58 WeakPolarHBondContact O-CB 3.32Å; L55-A58 PolarHBondContact O-N 3.14Å; L55-A58 VanDerWaalsContact O-N 3.15Å; F56-A58 VanDerWaalsContact C-N 3.33Å; F56-A58 PolarHBondContact O-N 3Å; A58-S61 PolarHBondContact O-N 3.11Å; A58-H62 PolarHBondContact O-N 2.88Å
59Q98.2Very high96.7Very high117 Ų11756.6 Ų56.655%0.54730%0.302SS..Hα-helixtrans-63.8-42.6176.3-67.6-59.8-40.300112.2L55 F56 S57 H62 C63L55-Q59 WeakPolarHBondContact O-CG 3.17Å; L55-Q59 PolarHBondContact O-N 3.42Å; F56-Q59 PolarHBondContact O-N 3.11Å; S57-Q59 PolarHBondContact O-N 2.86Å; Q59-H62 PolarHBondContact O-N 3.45Å; Q59-C63 WeakPolarHBondContact O-CB 3.34Å; Q59-C63 PolarHBondContact O-N 3.19Å
60L98Very high96.6Very high28 Ų2859.2 Ų59.215%0.14731%0.309CS..Hα-helixtrans-65.8-39.4175.4-65.6-176.8000111.9I22 F25 C26 F56 S57 C63 R64I22-L60 HydrophobicContact CG2-CB 4Å; I22-L60 HydrophobicContact CG2-CD2 4.12Å; F25-L60 HydrophobicContact CB-CD1 3.57Å; C26-L60 HydrophobicContact CB-CB 3.77Å; C26-L60 HydrophobicContact CB-CD1 4.26Å; F56-L60 HydrophobicContact CD1-CD1 4.01Å; F56-L60 HydrophobicContact CE1-CD1 3.45Å; F56-L60 VanDerWaalsContact CE1-CD1 3.45Å; F56-L60 HydrophobicContact CE1-CG 4.19Å; F56-L60 HydrophobicContact CE2-CD1 4.28Å; F56-L60 HydrophobicContact CE2-CD2 4.16Å; F56-L60 HydrophobicContact CE2-CG 4.19Å; F56-L60 HydrophobicContact CZ-CD1 3.62Å; F56-L60 HydrophobicContact CZ-CD2 4.09Å; F56-L60 HydrophobicContact CZ-CG 4.02Å; F56-L60 WeakPolarHBondContact O-CG 3.49Å; F56-L60 PolarHBondContact O-N 2.88Å; S57-L60 PolarHBondContact O-N 3.26Å; L60-C63 WeakPolarHBondContact O-CB 3.25Å; L60-C63 PolarHBondContact O-N 3.09Å; L60-R64 WeakPolarHBondContact O-CG 3.49Å; L60-R64 PolarHBondContact O-N 3.1Å
61S96.3Very high96.5Very high51 Ų5159.5 Ų59.536%0.35731%0.31SS..Hα-helixtrans-59.9-47.7174.7-169.20000111.3S57 A58 C63 R64 T65S57-S61 WeakPolarHBondContact O-CB 3.45Å; S57-S61 PolarHBondContact O-N 3.32Å; A58-S61 PolarHBondContact O-N 3.11Å; S61-C63 PolarHBondContact O-N 3.44Å; S61-R64 WeakPolarHBondContact O-CB 3.37Å; S61-R64 PolarHBondContact O-N 2.87Å; S61-T65 PolarHBondContact O-N 3.42Å; S61-T65 VanDerWaalsContact O-N 3.14Å; S61-T65 PolarHBondContact O-OG1 3.16Å
62H96.4Very high96.4Very high96 Ų9654.7 Ų54.744%0.44429%0.292SS..Hα-helixtrans-61.2-44.2175.8-174.974.9000112.2A58 Q59 R64 T65 V66 W115A58-H62 PolarHBondContact O-N 2.88Å; Q59-H62 PolarHBondContact O-N 3.45Å; H62-R64 VanDerWaalsContact C-N 3.27Å; H62-R64 PolarHBondContact O-N 3.3Å; H62-T65 WeakPolarHBondContact O-CA 3.46Å; H62-T65 WeakPolarHBondContact O-CB 3.35Å; H62-T65 PolarHBondContact O-N 2.9Å; H62-V66 PolarHBondContact O-N 3.27Å; H62-W115 AromaticContact CE1-CD1 3.76Å; H62-W115 AromaticContact CE1-NE1 3.48Å; H62-W115 PolarHBondContact CE1-NE1 3.06Å; H62-W115 AromaticContact NE2-NE1 3.9Å
63C96.8Very high96.1Very high49 Ų4958 Ų5833%0.33130%0.303SS..Hα-helixtrans-54.6-43.3175176.40000111.7Q59 L60 S61 T65 V66 L67Q59-C63 WeakPolarHBondContact O-CB 3.34Å; Q59-C63 PolarHBondContact O-N 3.19Å; L60-C63 WeakPolarHBondContact O-CB 3.25Å; L60-C63 PolarHBondContact O-N 3.09Å; S61-C63 PolarHBondContact O-N 3.44Å; C63-T65 VanDerWaalsContact C-N 3.31Å; C63-T65 PolarHBondContact O-N 2.9Å; C63-V66 PolarHBondContact O-N 3.42Å; C63-L67 WeakPolarHBondContact O-CG 3.42Å; C63-L67 PolarHBondContact O-N 2.88Å
64R96.3Very high95.8Very high19 Ų1959 Ų597%0.07231%0.313CS..Hα-helixtrans-64.2-35.8176.3-66.817970.8-141.8-6.7112.7D19 I22 R23 L60 S61 H62 L67 R68D19-R64 IonicContact OD1-CZ 2.69Å; D19-R64 IonicContact OD1-NE 3.24Å; D19-R64 PolarHBondContact OD1-NE 3.08Å; D19-R64 IonicContact OD1-NH2 2.93Å; D19-R64 PolarHBondContact OD1-NH2 2.86Å; D19-R64 IonicContact OD2-NE 3.34Å; D19-R64 IonicContact OD2-NH2 3.57Å; D19-R64 PolarHBondContact OD2-NH2 3.45Å; I22-R64 HydrophobicContact CB-CG 4.18Å; I22-R64 HydrophobicContact CG2-CG 3.43Å; I22-R64 VanDerWaalsContact CG2-CG 3.43Å; R23-R64 VanDerWaalsContact CG-CZ 3.47Å; L60-R64 WeakPolarHBondContact O-CG 3.49Å; L60-R64 PolarHBondContact O-N 3.1Å; S61-R64 WeakPolarHBondContact O-CB 3.37Å; S61-R64 PolarHBondContact O-N 2.87Å; H62-R64 VanDerWaalsContact C-N 3.27Å; H62-R64 PolarHBondContact O-N 3.3Å; R64-L67 PolarHBondContact O-N 3.4Å; R64-R68 WeakPolarHBondContact O-CG 3.49Å; R64-R68 PolarHBondContact O-N 3.38Å; R64-R68 PolarHBondContact O-NE 2.82Å
65T96.3Very high95.7Very high9 Ų957.4 Ų57.46%0.05531%0.305CS..Hα-helixtrans-63.2-43.1173.9-590000112S61 H62 C63 R68 E111 W115 W130S61-T65 PolarHBondContact O-N 3.42Å; S61-T65 VanDerWaalsContact O-N 3.14Å; S61-T65 PolarHBondContact O-OG1 3.16Å; H62-T65 WeakPolarHBondContact O-CA 3.46Å; H62-T65 WeakPolarHBondContact O-CB 3.35Å; H62-T65 PolarHBondContact O-N 2.9Å; C63-T65 VanDerWaalsContact C-N 3.31Å; C63-T65 PolarHBondContact O-N 2.9Å; T65-R68 VanDerWaalsContact CA-NH1 3.29Å; T65-R68 PolarHBondContact O-N 2.83Å; T65-R68 PolarHBondContact OG1-NH1 2.83Å; T65-R68 PolarHBondContact OG1-NH2 2.93Å; T65-R68 VanDerWaalsContact OG1-NH2 3.09Å; T65-E111 HydrophobicContact CG2-CG 4.26Å; T65-W115 HydrophobicContact CG2-CB 3.93Å; T65-W115 HydrophobicContact CG2-CG 4.05Å; T65-W130 HydrophobicContact CG2-CH2 3.91Å
66V95.9Very high95.5Very high48 Ų4856.5 Ų56.529%0.29130%0.3SS..Hα-helixtrans-64.7-41.7174.8178.30000111.4H62 C63 R68 L69 W115H62-V66 PolarHBondContact O-N 3.27Å; C63-V66 PolarHBondContact O-N 3.42Å; V66-R68 VanDerWaalsContact C-N 3.3Å; V66-R68 PolarHBondContact O-N 3.33Å; V66-L69 HydrophobicContact CG1-CD1 4.14Å; V66-L69 VanDerWaalsContact O-CB 3.23Å; V66-L69 WeakPolarHBondContact O-CB 3.37Å; V66-L69 WeakPolarHBondContact O-CD1 3.37Å; V66-L69 VanDerWaalsContact O-CG 3.26Å; V66-L69 WeakPolarHBondContact O-CG 3.42Å; V66-L69 PolarHBondContact O-N 2.84Å; V66-L69 VanDerWaalsContact O-N 3.16Å; V66-W115 HydrophobicContact CG2-CZ2 4.19Å
67L94.9Very high95.3Very high39 Ų3955 Ų5520%0.20430%0.304CS..Hα-helixtrans-62.8-36.8177.4-70.3173.9000112.2Y15 I22 C63 R64 L69 F70Y15-L67 HydrophobicContact CE2-CB 4.43Å; Y15-L67 PolarHBondContact OH-O 3.49Å; I22-L67 HydrophobicContact CD1-CD1 3.66Å; C63-L67 WeakPolarHBondContact O-CG 3.42Å; C63-L67 PolarHBondContact O-N 2.88Å; R64-L67 PolarHBondContact O-N 3.4Å; L67-L69 PolarHBondContact O-N 3.41Å; L67-L69 VanDerWaalsContact O-N 3.12Å; L67-F70 WeakPolarHBondContact O-CD2 3.48Å; L67-F70 PolarHBondContact O-N 3.03Å; L67-F70 VanDerWaalsContact O-N 3.1Å
68R95.4Very high95.1Very high28 Ų2860.3 Ų60.311%0.10632%0.324CS..G310 helixtrans-65.5-9.2176.7-78.4-177.4-98.4102-3.8114.3R64 T65 V66 F70 D71 Y108 E111 H112R64-R68 WeakPolarHBondContact O-CG 3.49Å; R64-R68 PolarHBondContact O-N 3.38Å; R64-R68 PolarHBondContact O-NE 2.82Å; T65-R68 VanDerWaalsContact CA-NH1 3.29Å; T65-R68 PolarHBondContact O-N 2.83Å; T65-R68 PolarHBondContact OG1-NH1 2.83Å; T65-R68 PolarHBondContact OG1-NH2 2.93Å; T65-R68 VanDerWaalsContact OG1-NH2 3.09Å; V66-R68 VanDerWaalsContact C-N 3.3Å; V66-R68 PolarHBondContact O-N 3.33Å; R68-F70 PolarHBondContact O-N 3.44Å; R68-D71 WeakPolarHBondContact O-CB 3.44Å; R68-D71 PolarHBondContact O-N 3.3Å; R68-D71 VanDerWaalsContact O-N 3.14Å; R68-Y108 HydrophobicContact CB-CD1 4.42Å; R68-Y108 HydrophobicContact CB-CE1 4.27Å; R68-Y108 HydrophobicContact CG-CE1 4.17Å; R68-E111 IonicContact CZ-OE1 2.81Å; R68-E111 IonicContact CZ-OE2 3.01Å; R68-E111 IonicContact NH1-OE1 4Å; R68-E111 PolarHBondContact NH1-OE1 3.01Å; R68-E111 IonicContact NH1-OE2 3.33Å; R68-E111 PolarHBondContact NH1-OE2 2.74Å; R68-H112 PolarHBondContact O-NE2 2.86Å
69L94Very high94.9Very high46 Ų4658.9 Ų58.924%0.24131%0.311CS..G310 helixtrans-60.9-17.7167.7-63.4168.2000112.9V66 L67 H112 W115V66-L69 HydrophobicContact CG1-CD1 4.14Å; V66-L69 VanDerWaalsContact O-CB 3.23Å; V66-L69 WeakPolarHBondContact O-CB 3.37Å; V66-L69 WeakPolarHBondContact O-CD1 3.37Å; V66-L69 VanDerWaalsContact O-CG 3.26Å; V66-L69 WeakPolarHBondContact O-CG 3.42Å; V66-L69 PolarHBondContact O-N 2.84Å; V66-L69 VanDerWaalsContact O-N 3.16Å; L67-L69 PolarHBondContact O-N 3.41Å; L67-L69 VanDerWaalsContact O-N 3.12Å; L69-H112 WeakPolarHBondContact CA-NE2 3.38Å; L69-H112 HydrophobicContact CD2-CB 3.96Å; L69-H112 WeakPolarHBondContact CD2-CD2 3.49Å; L69-W115 HydrophobicContact CD1-CD2 4.39Å; L69-W115 HydrophobicContact CD1-CE3 4.05Å; L69-W115 HydrophobicContact CD1-CH2 3.7Å; L69-W115 HydrophobicContact CD1-CZ2 4.05Å; L69-W115 HydrophobicContact CD1-CZ3 3.69Å; L69-W115 HydrophobicContact CD2-CD2 4.43Å; L69-W115 HydrophobicContact CD2-CE3 3.77Å; L69-W115 HydrophobicContact CD2-CZ3 3.97Å; L69-W115 HydrophobicContact CG-CE3 4.49Å
70F93.9Very high94.8Very high150 Ų15060.9 Ų60.966%0.65832%0.32SS*.G310 helixtrans-102.55.7179.1-58.9-80.5000113.1L67 R68L67-F70 WeakPolarHBondContact O-CD2 3.48Å; L67-F70 PolarHBondContact O-N 3.03Å; L67-F70 VanDerWaalsContact O-N 3.1Å; R68-F70 PolarHBondContact O-N 3.44Å
71D93.6Very high94.6Very high5 Ų564 Ų643%0.02734%0.344CS..Hα-helixtrans-84.6-18.9-177.2-884.3000113.7Y15 R16 R68 L73 S74 M75 Y108Y15-D71 WeakPolarHBondContact CE1-OD1 3.08Å; Y15-D71 PolarHBondContact OH-OD1 3.03Å; R16-D71 IonicContact NH1-OD1 3.84Å; R16-D71 IonicContact NH1-OD2 2.78Å; R16-D71 PolarHBondContact NH1-OD2 2.98Å; R68-D71 WeakPolarHBondContact O-CB 3.44Å; R68-D71 PolarHBondContact O-N 3.3Å; R68-D71 VanDerWaalsContact O-N 3.14Å; D71-L73 PolarHBondContact O-N 3.38Å; D71-S74 WeakPolarHBondContact O-CB 3.37Å; D71-S74 PolarHBondContact O-N 3.22Å; D71-S74 VanDerWaalsContact O-N 3.14Å; D71-M75 WeakPolarHBondContact O-CB 3.23Å; D71-M75 PolarHBondContact O-N 2.81Å; D71-Y108 HydrophobicContact CB-CD1 3.81Å; D71-Y108 HydrophobicContact CB-CE1 3.29Å; D71-Y108 HydrophobicContact CB-CE2 4.18Å; D71-Y108 HydrophobicContact CB-CG 4.4Å; D71-Y108 VanDerWaalsContact CB-CZ 3.49Å; D71-Y108 WeakPolarHBondContact OD2-CE1 3.38Å; D71-Y108 PolarHBondContact OD2-OH 3.48Å
72D92.6Very high94.4Very high42 Ų4262.8 Ų62.823%0.22533%0.332CS..Hα-helixtrans-59.2-46-174-58.8-81.3000113.3S74 M75 L76 Y108 H112D72-S74 VanDerWaalsContact C-N 3.31Å; D72-S74 PolarHBondContact O-N 3.38Å; D72-M75 PolarHBondContact O-N 2.98Å; D72-L76 VanDerWaalsContact O-CB 3.29Å; D72-L76 WeakPolarHBondContact O-CB 3.26Å; D72-L76 PolarHBondContact O-N 3.31Å; D72-Y108 WeakPolarHBondContact OD1-CB 3.33Å; D72-H112 VanDerWaalsContact CG-CE1 3.46Å; D72-H112 IonicContact OD1-CE1 3.03Å; D72-H112 PolarHBondContact OD1-CE1 3.36Å; D72-H112 IonicContact OD1-ND1 3.91Å; D72-H112 IonicContact OD2-CE1 3.22Å; D72-H112 PolarHBondContact OD2-CE1 3.3Å; D72-H112 IonicContact OD2-ND1 3.48Å; D72-H112 IonicContact OD2-NE2 3.26Å
73L92.3Very high94.3Very high138 Ų13860 Ų6072%0.72333%0.33SS*.Hα-helixtrans-66.5-38-179.8-66.7178.5000111D71 L76 A77D71-L73 PolarHBondContact O-N 3.38Å; L73-L76 PolarHBondContact O-N 3.42Å; L73-A77 VanDerWaalsContact O-CB 3.27Å; L73-A77 WeakPolarHBondContact O-CB 3.41Å; L73-A77 PolarHBondContact O-N 3.26Å
74S91.9Very high94.1Very high57 Ų5764.4 Ų64.440%0.39935%0.349SS..Hα-helixtrans-65.5-41.7175.6-63.90000111D71 D72 Y78D71-S74 WeakPolarHBondContact O-CB 3.37Å; D71-S74 PolarHBondContact O-N 3.22Å; D71-S74 VanDerWaalsContact O-N 3.14Å; D72-S74 VanDerWaalsContact C-N 3.31Å; D72-S74 PolarHBondContact O-N 3.38Å; S74-Y78 WeakPolarHBondContact O-CB 3.41Å; S74-Y78 PolarHBondContact O-N 2.87Å
75M94.4Very high93.8Very high15 Ų1563.5 Ų63.57%0.07435%0.346CS..Hα-helixtrans-68.2-41.1177.6-171.460.3-145.400111.7D71 D72 Y78 S79 N101 D104 Q105 Y108D71-M75 WeakPolarHBondContact O-CB 3.23Å; D71-M75 PolarHBondContact O-N 2.81Å; D72-M75 PolarHBondContact O-N 2.98Å; M75-Y78 HydrophobicContact CE-CD1 3.91Å; M75-Y78 WeakPolarHBondContact O-CB 3.4Å; M75-Y78 PolarHBondContact O-N 2.89Å; M75-Y78 HydrophobicContact SD-CD1 4.41Å; M75-S79 WeakPolarHBondContact CE-OG 3.43Å; M75-S79 WeakPolarHBondContact O-CB 3.47Å; M75-S79 PolarHBondContact O-N 2.97Å; M75-S79 PolarHBondContact O-OG 2.9Å; M75-S79 VanDerWaalsContact O-OG 3.1Å; M75-N101 HydrophobicContact CE-CB 4.17Å; M75-D104 HydrophobicContact CE-CB 3.48Å; M75-D104 VanDerWaalsContact CE-CB 3.48Å; M75-D104 HydrophobicContact CG-CB 4.44Å; M75-D104 HydrophobicContact SD-CB 3.73Å; M75-Q105 PolarHBondContact O-OE1 3.04Å; M75-Y108 HydrophobicContact CB-CD2 4.02Å; M75-Y108 HydrophobicContact CB-CE2 3.82Å; M75-Y108 HydrophobicContact CG-CD2 4.05Å; M75-Y108 HydrophobicContact CG-CE2 3.86Å; M75-Y108 HydrophobicContact SD-CE2 4.25Å
76L94.3Very high93.4Very high96 Ų9667.6 Ų67.650%0.50338%0.38SS..Hα-helixtrans-64.4-45.6176.5-178.463.8000111.2D72 L73 Y78 S79 H80D72-L76 VanDerWaalsContact O-CB 3.29Å; D72-L76 WeakPolarHBondContact O-CB 3.26Å; D72-L76 PolarHBondContact O-N 3.31Å; L73-L76 PolarHBondContact O-N 3.42Å; L76-Y78 VanDerWaalsContact C-N 3.3Å; L76-Y78 PolarHBondContact O-N 2.89Å; L76-S79 PolarHBondContact O-N 3.36Å; L76-H80 VanDerWaalsContact O-CB 3.25Å; L76-H80 WeakPolarHBondContact O-CB 3.42Å; L76-H80 PolarHBondContact O-N 3.16Å
77A95Very high93Very high61 Ų6169.9 Ų69.950%0.50440%0.399SS..Hα-helixtrans-60.4-42.1175.500000111.3L73 S81L73-A77 VanDerWaalsContact O-CB 3.27Å; L73-A77 WeakPolarHBondContact O-CB 3.41Å; L73-A77 PolarHBondContact O-N 3.26Å; A77-S81 WeakPolarHBondContact O-CB 3.42Å; A77-S81 PolarHBondContact O-N 3.06Å; A77-S81 PolarHBondContact O-OG 3.46Å
78Y93.2Very high92.8Very high120 Ų12070.6 Ų70.647%0.47140%0.401SS..Hα-helixtrans-61.2-54.3174.7179.8-101.6000111.6S74 M75 L76 H80 S81 Y82 N101S74-Y78 WeakPolarHBondContact O-CB 3.41Å; S74-Y78 PolarHBondContact O-N 2.87Å; M75-Y78 HydrophobicContact CE-CD1 3.91Å; M75-Y78 WeakPolarHBondContact O-CB 3.4Å; M75-Y78 PolarHBondContact O-N 2.89Å; M75-Y78 HydrophobicContact SD-CD1 4.41Å; L76-Y78 VanDerWaalsContact C-N 3.3Å; L76-Y78 PolarHBondContact O-N 2.89Å; Y78-H80 VanDerWaalsContact C-N 3.3Å; Y78-H80 PolarHBondContact O-N 3.04Å; Y78-S81 PolarHBondContact O-N 3.43Å; Y78-S81 VanDerWaalsContact O-N 3.16Å; Y78-S81 PolarHBondContact O-OG 3.3Å; Y78-Y82 WeakPolarHBondContact O-CB 3.3Å; Y78-Y82 PolarHBondContact O-N 2.93Å; Y78-N101 WeakPolarHBondContact CE1-OD1 3.43Å
79S94.1Very high92.6Very high22 Ų2277.4 Ų77.415%0.15443%0.434CS..Hα-helixtrans-56.3-43178.1-67.10000112.3M75 L76 Y82 G83 Q105M75-S79 WeakPolarHBondContact CE-OG 3.43Å; M75-S79 WeakPolarHBondContact O-CB 3.47Å; M75-S79 PolarHBondContact O-N 2.97Å; M75-S79 PolarHBondContact O-OG 2.9Å; M75-S79 VanDerWaalsContact O-OG 3.1Å; L76-S79 PolarHBondContact O-N 3.36Å; S79-Y82 PolarHBondContact O-N 3.01Å; S79-G83 PolarHBondContact O-N 3.36Å; S79-Q105 PolarHBondContact OG-OE1 3.5Å
80H94.3Very high92.6Very high160 Ų16076.6 Ų76.674%0.74143%0.43SS*.Hα-helixtrans-65.2-44.9177.4-178.4-85.2000111.9L76 Y78 Y82 G83L76-H80 VanDerWaalsContact O-CB 3.25Å; L76-H80 WeakPolarHBondContact O-CB 3.42Å; L76-H80 PolarHBondContact O-N 3.16Å; Y78-H80 VanDerWaalsContact C-N 3.3Å; Y78-H80 PolarHBondContact O-N 3.04Å; H80-Y82 VanDerWaalsContact C-N 3.29Å; H80-Y82 PolarHBondContact O-N 3.44Å; H80-G83 PolarHBondContact O-N 3.42Å
81S94Very high92.6Very high93 Ų9372 Ų7265%0.6542%0.42SS*.Hα-helixtrans-64.7-33.5177.272.30000112.9A77 Y78A77-S81 WeakPolarHBondContact O-CB 3.42Å; A77-S81 PolarHBondContact O-N 3.06Å; A77-S81 PolarHBondContact O-OG 3.46Å; Y78-S81 PolarHBondContact O-N 3.43Å; Y78-S81 VanDerWaalsContact O-N 3.16Å; Y78-S81 PolarHBondContact O-OG 3.3Å
82Y93.3Very high92.6Very high25 Ų2573.2 Ų73.210%0.09843%0.434CS..Hα-helixtrans-73.8-36.2175.5-169.7-99000112.2Y78 S79 H80 L84 G85 E88 S97 V98 N101Y78-Y82 WeakPolarHBondContact O-CB 3.3Å; Y78-Y82 PolarHBondContact O-N 2.93Å; S79-Y82 PolarHBondContact O-N 3.01Å; H80-Y82 VanDerWaalsContact C-N 3.29Å; H80-Y82 PolarHBondContact O-N 3.44Å; Y82-L84 PolarHBondContact O-N 3.42Å; Y82-G85 PolarHBondContact O-N 3.15Å; Y82-E88 HydrophobicContact CE2-CG 4.4Å; Y82-E88 WeakPolarHBondContact OH-CG 3.39Å; Y82-E88 PolarHBondContact OH-OE1 3.5Å; Y82-S97 VanDerWaalsContact CZ-CB 3.45Å; Y82-S97 WeakPolarHBondContact OH-CB 3.13Å; Y82-S97 PolarHBondContact OH-OG 2.94Å; Y82-V98 HydrophobicContact CD1-CG2 4.48Å; Y82-V98 HydrophobicContact CE1-CG2 3.92Å; Y82-N101 WeakPolarHBondContact CD1-ND2 3.42Å
83G93.5Very high92.8Very high39 Ų3971.3 Ų71.340%0.40242%0.423SS..THydrogen-bonded Turntrans56.7-128.9-176.300000111.5S79 H80 G85S79-G83 PolarHBondContact O-N 3.36Å; H80-G83 PolarHBondContact O-N 3.42Å; G83-G85 VanDerWaalsContact C-N 3.32Å
84L92.5Very high93Very high140 Ų14068.8 Ų68.873%0.73340%0.404SS*.THydrogen-bonded Turntrans-95.919.8175.3-58.9178000112.6Y82 R94Y82-L84 PolarHBondContact O-N 3.42Å; L84-R94 VanDerWaalsContact O-CD 3.25Å; L84-R94 WeakPolarHBondContact O-CD 3.27Å; L84-R94 VanDerWaalsContact O-CG 3.26Å; L84-R94 WeakPolarHBondContact O-CG 3.38Å
85G90.3Very high93.2Very high0 Ų074 Ų740%042%0.415CS..THydrogen-bonded Turntrans7241.2176.600000114Y82 G83 S87 E88 R94Y82-G85 PolarHBondContact O-N 3.15Å; G83-G85 VanDerWaalsContact C-N 3.32Å; G85-S87 PolarHBondContact O-N 3.05Å; G85-S87 VanDerWaalsContact O-N 3.15Å; G85-E88 PolarHBondContact O-N 3.2Å; G85-R94 WeakPolarHBondContact O-CD 3.41Å; G85-R94 WeakPolarHBondContact O-CG 3.43Å; G85-R94 PolarHBondContact O-NE 3.49Å
86A87.9Confident93.3Very high95 Ų9574.9 Ų74.979%0.78542%0.42SS*.THydrogen-bonded Turntrans-58.8-23.7177.500000113.4
87S88.1Confident93.4Very high97 Ų9770.8 Ų70.868%0.67840%0.399SS*.THydrogen-bonded Turntrans-76.1-16.2175.951.40000114.4G85G85-S87 PolarHBondContact O-N 3.05Å; G85-S87 VanDerWaalsContact O-N 3.15Å
88E90.6Very high93.5Very high53 Ų5368.9 Ų68.925%0.24838%0.381CS..  trans-87.6123.7-176.7-63.7-67177.800111.8Y82 G85 V93 R94Y82-E88 HydrophobicContact CE2-CG 4.4Å; Y82-E88 WeakPolarHBondContact OH-CG 3.39Å; Y82-E88 PolarHBondContact OH-OE1 3.5Å; G85-E88 PolarHBondContact O-N 3.2Å; E88-V93 HydrophobicContact CG-CG1 4.38Å; E88-V93 WeakPolarHBondContact OE2-CG1 3.26Å; E88-R94 HydrophobicContact CB-CB 3.88Å; E88-R94 HydrophobicContact CB-CG 4.27Å; E88-R94 HydrophobicContact CG-CB 4.34Å; E88-R94 PolarHBondContact O-NE 3.3Å; E88-R94 PolarHBondContact O-NH2 3.5Å
89E89.9Confident93.7Very high171 Ų17167.7 Ų67.780%0.79938%0.383SS*.SBendtrans-70.9-37.8175.4-64.6179.8162.200112.7K158E89-K158 IonicContact OE2-NZ 3.85Å
90D95.2Very high93.8Very high29 Ų2967.5 Ų67.516%0.15538%0.381CS..SBendtrans-90.2118.2-177.9-176.9-90000110.5G92 V93 R94 R150 L154D90-G92 PolarHBondContact O-N 3.14Å; D90-G92 VanDerWaalsContact OD1-CA 3.27Å; D90-G92 WeakPolarHBondContact OD1-CA 3.06Å; D90-G92 PolarHBondContact OD1-N 2.91Å; D90-V93 HydrophobicContact CB-CB 4.24Å; D90-V93 HydrophobicContact CB-CG2 4.02Å; D90-V93 PolarHBondContact O-N 3.4Å; D90-V93 PolarHBondContact OD1-N 2.74Å; D90-R94 PolarHBondContact O-N 3.34Å; D90-R150 IonicContact OD1-CZ 2.62Å; D90-R150 IonicContact OD1-NE 3.73Å; D90-R150 PolarHBondContact OD1-NE 3.13Å; D90-R150 IonicContact OD1-NH2 2.6Å; D90-R150 IonicContact OD2-CZ 3.66Å; D90-R150 IonicContact OD2-NE 3.29Å; D90-R150 PolarHBondContact OD2-NE 3.2Å; D90-R150 IonicContact OD2-NH2 3.38Å; D90-R150 PolarHBondContact OD2-NH2 3.43Å; D90-L154 HydrophobicContact CB-CD1 3.7Å
91A93.8Very high93.9Very high55 Ų5560.4 Ų60.446%0.45535%0.348SS..Hα-helixtrans-59.4-30.4179.800000113.2R94 W95A91-R94 WeakPolarHBondContact O-CB 3.36Å; A91-R94 PolarHBondContact O-N 3.23Å; A91-W95 PolarHBondContact O-N 3.48Å
92G93.8Very high94.1Very high30 Ų3059.7 Ų59.731%0.30934%0.339SS..Hα-helixtrans-67.5-49.9176.800000111.6D90 R94 W95 I96D90-G92 PolarHBondContact O-N 3.14Å; D90-G92 VanDerWaalsContact OD1-CA 3.27Å; D90-G92 WeakPolarHBondContact OD1-CA 3.06Å; D90-G92 PolarHBondContact OD1-N 2.91Å; G92-R94 VanDerWaalsContact C-N 3.28Å; G92-R94 PolarHBondContact O-N 3.03Å; G92-W95 PolarHBondContact O-N 3.4Å; G92-I96 WeakPolarHBondContact O-CB 3.32Å; G92-I96 WeakPolarHBondContact O-CD1 3.32Å; G92-I96 WeakPolarHBondContact O-CG1 3.21Å; G92-I96 PolarHBondContact O-N 2.97Å
93V95.8Very high94.3Very high2 Ų258.8 Ų58.81%0.01234%0.338CS..Hα-helixtrans-56.7-45.6173.6177.10000110.3E88 D90 I96 S97 R147 R150 V151 L154E88-V93 HydrophobicContact CG-CG1 4.38Å; E88-V93 WeakPolarHBondContact OE2-CG1 3.26Å; D90-V93 HydrophobicContact CB-CB 4.24Å; D90-V93 HydrophobicContact CB-CG2 4.02Å; D90-V93 PolarHBondContact O-N 3.4Å; D90-V93 PolarHBondContact OD1-N 2.74Å; V93-I96 PolarHBondContact O-N 3.08Å; V93-S97 WeakPolarHBondContact O-CB 3.34Å; V93-S97 PolarHBondContact O-N 3.29Å; V93-S97 PolarHBondContact O-OG 2.98Å; V93-R147 HydrophobicContact CG1-CG 4.01Å; V93-R150 HydrophobicContact CG2-CB 4.23Å; V93-R150 HydrophobicContact CG2-CG 3.66Å; V93-V151 HydrophobicContact CG1-CG2 4.24Å; V93-V151 HydrophobicContact CG2-CG2 3.85Å; V93-L154 HydrophobicContact CG2-CD1 4.21Å
94R96.8Very high94.4Very high84 Ų8458.8 Ų58.832%0.31733%0.328SS..Hα-helixtrans-54.7-57178.2-169.1-174.9-61.81760.7112.8L84 G85 E88 D90 A91 G92 I96 S97 V98L84-R94 VanDerWaalsContact O-CD 3.25Å; L84-R94 WeakPolarHBondContact O-CD 3.27Å; L84-R94 VanDerWaalsContact O-CG 3.26Å; L84-R94 WeakPolarHBondContact O-CG 3.38Å; G85-R94 WeakPolarHBondContact O-CD 3.41Å; G85-R94 WeakPolarHBondContact O-CG 3.43Å; G85-R94 PolarHBondContact O-NE 3.49Å; E88-R94 HydrophobicContact CB-CB 3.88Å; E88-R94 HydrophobicContact CB-CG 4.27Å; E88-R94 HydrophobicContact CG-CB 4.34Å; E88-R94 PolarHBondContact O-NE 3.3Å; E88-R94 PolarHBondContact O-NH2 3.5Å; D90-R94 PolarHBondContact O-N 3.34Å; A91-R94 WeakPolarHBondContact O-CB 3.36Å; A91-R94 PolarHBondContact O-N 3.23Å; G92-R94 VanDerWaalsContact C-N 3.28Å; G92-R94 PolarHBondContact O-N 3.03Å; R94-I96 PolarHBondContact O-N 2.86Å; R94-S97 PolarHBondContact O-N 3.44Å; R94-V98 WeakPolarHBondContact O-CG2 3.49Å; R94-V98 PolarHBondContact O-N 2.8Å
95W96.4Very high94.6Very high167 Ų16754.5 Ų54.563%0.63330%0.304SS*.Hα-helixtrans-65.8-38.9-177.1-78116.2000112.5A91 G92 V98 L99A91-W95 PolarHBondContact O-N 3.48Å; G92-W95 PolarHBondContact O-N 3.4Å; W95-V98 PolarHBondContact O-N 3.33Å; W95-L99 WeakPolarHBondContact O-CG 3.37Å; W95-L99 PolarHBondContact O-N 3.23Å
96I96.8Very high94.9Very high33 Ų3358.9 Ų58.917%0.16933%0.327CS..Hα-helixtrans-61.3-47.2176-65.8165.8000110G92 V93 R94 V98 L99 T100 L143 L146 R147G92-I96 WeakPolarHBondContact O-CB 3.32Å; G92-I96 WeakPolarHBondContact O-CD1 3.32Å; G92-I96 WeakPolarHBondContact O-CG1 3.21Å; G92-I96 PolarHBondContact O-N 2.97Å; V93-I96 PolarHBondContact O-N 3.08Å; R94-I96 PolarHBondContact O-N 2.86Å; I96-V98 PolarHBondContact O-N 3.47Å; I96-L99 PolarHBondContact O-N 3.35Å; I96-T100 PolarHBondContact O-N 3.43Å; I96-T100 PolarHBondContact O-OG1 3.22Å; I96-T100 VanDerWaalsContact O-OG1 3.08Å; I96-L143 HydrophobicContact CG2-CB 4Å; I96-L143 HydrophobicContact CG2-CD2 4.25Å; I96-L143 WeakPolarHBondContact CG2-O 3.26Å; I96-L146 HydrophobicContact CD1-CB 4.25Å; I96-R147 HydrophobicContact CG2-CB 3.74Å; I96-R147 HydrophobicContact CG2-CG 4.45Å
97S96.3Very high95.3Very high10 Ų1055.7 Ų55.77%0.0730%0.295CS..Hα-helixtrans-63.7-39.2178.7-64.10000113Y82 V93 R94 L99 T100 N101 R147Y82-S97 VanDerWaalsContact CZ-CB 3.45Å; Y82-S97 WeakPolarHBondContact OH-CB 3.13Å; Y82-S97 PolarHBondContact OH-OG 2.94Å; V93-S97 WeakPolarHBondContact O-CB 3.34Å; V93-S97 PolarHBondContact O-N 3.29Å; V93-S97 PolarHBondContact O-OG 2.98Å; R94-S97 PolarHBondContact O-N 3.44Å; S97-L99 VanDerWaalsContact C-N 3.34Å; S97-L99 PolarHBondContact O-N 3.03Å; S97-T100 WeakPolarHBondContact O-CB 3.48Å; S97-T100 PolarHBondContact O-N 2.94Å; S97-N101 VanDerWaalsContact O-CG 3.26Å; S97-N101 PolarHBondContact O-N 3.49Å; S97-N101 PolarHBondContact O-OD1 2.82Å; S97-R147 VanDerWaalsContact OG-CD 3.32Å; S97-R147 WeakPolarHBondContact OG-CD 3.32Å
98V96.9Very high95.6Very high21 Ų2152.5 Ų52.513%0.12727%0.269CS..Hα-helixtrans-60.8-45.1173.6171.50000110.7Y82 R94 W95 I96 T100 N101 V102Y82-V98 HydrophobicContact CD1-CG2 4.48Å; Y82-V98 HydrophobicContact CE1-CG2 3.92Å; R94-V98 WeakPolarHBondContact O-CG2 3.49Å; R94-V98 PolarHBondContact O-N 2.8Å; W95-V98 PolarHBondContact O-N 3.33Å; I96-V98 PolarHBondContact O-N 3.47Å; V98-T100 VanDerWaalsContact C-N 3.34Å; V98-T100 PolarHBondContact O-N 3.23Å; V98-N101 PolarHBondContact O-N 2.93Å; V98-V102 WeakPolarHBondContact O-CG2 3.22Å; V98-V102 PolarHBondContact O-N 3.12Å
99L97.3Very high95.9Very high96 Ų9652.6 Ų52.650%0.50327%0.274SS..Hα-helixtrans-64.8-38.1177.1-68.3172.5000112.1W95 I96 S97 V102 A103 L143W95-L99 WeakPolarHBondContact O-CG 3.37Å; W95-L99 PolarHBondContact O-N 3.23Å; I96-L99 PolarHBondContact O-N 3.35Å; S97-L99 VanDerWaalsContact C-N 3.34Å; S97-L99 PolarHBondContact O-N 3.03Å; L99-V102 PolarHBondContact O-N 3.4Å; L99-A103 PolarHBondContact O-N 3.24Å; L99-L143 HydrophobicContact CB-CD1 3.76Å; L99-L143 HydrophobicContact CB-CD2 4.42Å
100T97Very high96.2Very high18 Ų1845.3 Ų45.311%0.1124%0.242CC..Hα-helixtrans-59-49172.9-63.10000110.5I96 S97 V98 V102 A103 D104 L143I96-T100 PolarHBondContact O-N 3.43Å; I96-T100 PolarHBondContact O-OG1 3.22Å; I96-T100 VanDerWaalsContact O-OG1 3.08Å; S97-T100 WeakPolarHBondContact O-CB 3.48Å; S97-T100 PolarHBondContact O-N 2.94Å; V98-T100 VanDerWaalsContact C-N 3.34Å; V98-T100 PolarHBondContact O-N 3.23Å; T100-V102 VanDerWaalsContact C-N 3.31Å; T100-V102 PolarHBondContact O-N 3.32Å; T100-A103 WeakPolarHBondContact O-CB 3.37Å; T100-A103 PolarHBondContact O-N 3.28Å; T100-A103 VanDerWaalsContact O-N 3.11Å; T100-D104 PolarHBondContact O-N 3.24Å; T100-L143 WeakPolarHBondContact OG1-CB 3.42Å
101N96.3Very high96.3Very high11 Ų1144.3 Ų44.36%0.05924%0.236CC..Hα-helixtrans-61.3-39.3179.3-67.70.1000112.3M75 Y78 Y82 S97 V98 D104 Q105M75-N101 HydrophobicContact CE-CB 4.17Å; Y78-N101 WeakPolarHBondContact CE1-OD1 3.43Å; Y82-N101 WeakPolarHBondContact CD1-ND2 3.42Å; S97-N101 VanDerWaalsContact O-CG 3.26Å; S97-N101 PolarHBondContact O-N 3.49Å; S97-N101 PolarHBondContact O-OD1 2.82Å; V98-N101 PolarHBondContact O-N 2.93Å; N101-D104 PolarHBondContact O-N 2.93Å; N101-Q105 VanDerWaalsContact O-CB 3.24Å; N101-Q105 WeakPolarHBondContact O-CB 3.46Å; N101-Q105 PolarHBondContact O-N 2.59Å
102V97.1Very high96.5Very high77 Ų7743 Ų4347%0.46722%0.22SC..Hα-helixtrans-62.7-45.4174.8171.60000110.8V98 L99 T100 Q105 L106V98-V102 WeakPolarHBondContact O-CG2 3.22Å; V98-V102 PolarHBondContact O-N 3.12Å; L99-V102 PolarHBondContact O-N 3.4Å; T100-V102 VanDerWaalsContact C-N 3.31Å; T100-V102 PolarHBondContact O-N 3.32Å; V102-Q105 PolarHBondContact O-N 3.11Å; V102-L106 HydrophobicContact CG1-CD1 4.02Å; V102-L106 VanDerWaalsContact O-CG 3.31Å; V102-L106 WeakPolarHBondContact O-CG 3.5Å; V102-L106 PolarHBondContact O-N 3.14Å; V102-L106 VanDerWaalsContact O-N 3.11Å
103A97.6Very high96.7Very high7 Ų743.8 Ų43.86%0.05822%0.217CC..Hα-helixtrans-61.4-45.1177.700000111.7L99 T100 L106 Y107L99-A103 PolarHBondContact O-N 3.24Å; T100-A103 WeakPolarHBondContact O-CB 3.37Å; T100-A103 PolarHBondContact O-N 3.28Å; T100-A103 VanDerWaalsContact O-N 3.11Å; A103-L106 PolarHBondContact O-N 2.98Å; A103-Y107 WeakPolarHBondContact O-CB 3.47Å; A103-Y107 PolarHBondContact O-N 3.38Å
104D95.8Very high96.8Very high38 Ų3843.7 Ų43.720%0.20322%0.216CC..Hα-helixtrans-66.8-38.9178.9-69.5-20.7000112.2M75 T100 N101 L106 Y107 Y108 S140M75-D104 HydrophobicContact CE-CB 3.48Å; M75-D104 VanDerWaalsContact CE-CB 3.48Å; M75-D104 HydrophobicContact CG-CB 4.44Å; M75-D104 HydrophobicContact SD-CB 3.73Å; T100-D104 PolarHBondContact O-N 3.24Å; N101-D104 PolarHBondContact O-N 2.93Å; D104-L106 VanDerWaalsContact C-N 3.32Å; D104-L106 PolarHBondContact O-N 2.99Å; D104-Y107 WeakPolarHBondContact O-CB 3.44Å; D104-Y107 PolarHBondContact O-N 3.49Å; D104-Y108 WeakPolarHBondContact O-CD2 3.38Å; D104-S140 WeakPolarHBondContact OD1-CB 3.25Å; D104-S140 PolarHBondContact OD1-OG 2.98Å; D104-S140 PolarHBondContact OD2-OG 3.5Å
105Q96.1Very high96.8Very high50 Ų5042 Ų4223%0.23421%0.21CC..Hα-helixtrans-66-34.8177.5-16869.554.700112.3M75 S79 N101 V102 P109M75-Q105 PolarHBondContact O-OE1 3.04Å; S79-Q105 PolarHBondContact OG-OE1 3.5Å; N101-Q105 VanDerWaalsContact O-CB 3.24Å; N101-Q105 WeakPolarHBondContact O-CB 3.46Å; N101-Q105 PolarHBondContact O-N 2.59Å; V102-Q105 PolarHBondContact O-N 3.11Å; Q105-P109 WeakPolarHBondContact O-CD 3.45Å
106L96.8Very high96.9Very high93 Ų9334.7 Ų34.749%0.48719%0.185SC..Hα-helixtrans-80.2-28.4176.5-66.9174.3000112.4V102 A103 D104 C110 L136V102-L106 HydrophobicContact CG1-CD1 4.02Å; V102-L106 VanDerWaalsContact O-CG 3.31Å; V102-L106 WeakPolarHBondContact O-CG 3.5Å; V102-L106 PolarHBondContact O-N 3.14Å; V102-L106 VanDerWaalsContact O-N 3.11Å; A103-L106 PolarHBondContact O-N 2.98Å; D104-L106 VanDerWaalsContact C-N 3.32Å; D104-L106 PolarHBondContact O-N 2.99Å; L106-C110 PolarHBondContact O-N 3.1Å; L106-C110 PolarHBondContact O-SG 3.02Å; L106-L136 HydrophobicContact CB-CD1 3.79Å; L106-L136 HydrophobicContact CB-CD2 4.05Å; L106-L136 HydrophobicContact CD1-CD2 4.38Å
107Y97.1Very high96.9Very high28 Ų2833.7 Ų33.711%0.1118%0.182CC..Hα-helixtrans-58-50.3-178162.4-95.6000111.9A103 D104 C110 E111 S133 W137A103-Y107 WeakPolarHBondContact O-CB 3.47Å; A103-Y107 PolarHBondContact O-N 3.38Å; D104-Y107 WeakPolarHBondContact O-CB 3.44Å; D104-Y107 PolarHBondContact O-N 3.49Å; Y107-C110 PolarHBondContact O-N 3.04Å; Y107-E111 WeakPolarHBondContact CE1-OE2 3.35Å; Y107-E111 VanDerWaalsContact CZ-OE2 3.3Å; Y107-E111 PolarHBondContact O-N 2.91Å; Y107-E111 PolarHBondContact OH-OE1 2.78Å; Y107-E111 PolarHBondContact OH-OE2 3.41Å; Y107-S133 VanDerWaalsContact CD2-O 3.26Å; Y107-S133 WeakPolarHBondContact CD2-O 3.36Å; Y107-W137 HydrophobicContact CD2-CB 3.79Å; Y107-W137 HydrophobicContact CE2-CB 3.72Å; Y107-W137 HydrophobicContact CE2-CG 4.3Å
108Y95.1Very high96.9Very high30 Ų3037.6 Ų37.612%0.11820%0.202CC..Hα-helixtrans-61.5-52.6-173.2-70.1-69.9000112.7R68 D71 D72 M75 D104 C110 E111 H112R68-Y108 HydrophobicContact CB-CD1 4.42Å; R68-Y108 HydrophobicContact CB-CE1 4.27Å; R68-Y108 HydrophobicContact CG-CE1 4.17Å; D71-Y108 HydrophobicContact CB-CD1 3.81Å; D71-Y108 HydrophobicContact CB-CE1 3.29Å; D71-Y108 HydrophobicContact CB-CE2 4.18Å; D71-Y108 HydrophobicContact CB-CG 4.4Å; D71-Y108 VanDerWaalsContact CB-CZ 3.49Å; D71-Y108 WeakPolarHBondContact OD2-CE1 3.38Å; D71-Y108 PolarHBondContact OD2-OH 3.48Å; D72-Y108 WeakPolarHBondContact OD1-CB 3.33Å; M75-Y108 HydrophobicContact CB-CD2 4.02Å; M75-Y108 HydrophobicContact CB-CE2 3.82Å; M75-Y108 HydrophobicContact CG-CD2 4.05Å; M75-Y108 HydrophobicContact CG-CE2 3.86Å; M75-Y108 HydrophobicContact SD-CE2 4.25Å; D104-Y108 WeakPolarHBondContact O-CD2 3.38Å; Y108-C110 VanDerWaalsContact C-N 3.31Å; Y108-C110 PolarHBondContact O-N 3.47Å; Y108-E111 WeakPolarHBondContact O-CB 3.46Å; Y108-E111 PolarHBondContact O-N 2.76Å; Y108-H112 PolarHBondContact O-CD2 2.96Å; Y108-H112 PolarHBondContact O-CE1 3.4Å; Y108-H112 PolarHBondContact O-N 3Å; Y108-H112 PolarHBondContact O-ND1 3.46Å; Y108-H112 VanDerWaalsContact O-ND1 3.11Å
109P96.1Very high96.8Very high54 Ų5438.8 Ų38.835%0.35121%0.214SC..Hα-helixtrans-57.5-40.6176.3-26.934.4000113.6Q105 E111 H112 I113Q105-P109 WeakPolarHBondContact O-CD 3.45Å; P109-E111 VanDerWaalsContact C-N 3.31Å; P109-E111 PolarHBondContact O-N 3.45Å; P109-H112 PolarHBondContact O-N 3.25Å; P109-I113 WeakPolarHBondContact O-CD1 3.39Å; P109-I113 VanDerWaalsContact O-CG1 3.25Å; P109-I113 WeakPolarHBondContact O-CG1 3.46Å; P109-I113 PolarHBondContact O-N 2.91Å
110C97.3Very high96.8Very high19 Ų1942.7 Ų42.713%0.12823%0.23CC..Hα-helixtrans-60.8-43.4176.7-740000111.4L106 Y107 Y108 A114 W129 F132 L136L106-C110 PolarHBondContact O-N 3.1Å; L106-C110 PolarHBondContact O-SG 3.02Å; Y107-C110 PolarHBondContact O-N 3.04Å; Y108-C110 VanDerWaalsContact C-N 3.31Å; Y108-C110 PolarHBondContact O-N 3.47Å; C110-A114 PolarHBondContact O-N 3.5Å; C110-A114 VanDerWaalsContact O-N 3.08Å; C110-W129 HydrophobicContact CB-CE3 4.16Å; C110-F132 HydrophobicContact CB-CB 4.43Å; C110-L136 HydrophobicContact CB-CD1 4.37Å
111E97.2Very high96.8Very high7 Ų747.5 Ų47.53%0.03325%0.254CS..Hα-helixtrans-66.9-39.5177.6-178168.8-125.600112.9T65 R68 Y107 Y108 P109 I113 A114 W115 W130T65-E111 HydrophobicContact CG2-CG 4.26Å; R68-E111 IonicContact CZ-OE1 2.81Å; R68-E111 IonicContact CZ-OE2 3.01Å; R68-E111 IonicContact NH1-OE1 4Å; R68-E111 PolarHBondContact NH1-OE1 3.01Å; R68-E111 IonicContact NH1-OE2 3.33Å; R68-E111 PolarHBondContact NH1-OE2 2.74Å; Y107-E111 WeakPolarHBondContact CE1-OE2 3.35Å; Y107-E111 VanDerWaalsContact CZ-OE2 3.3Å; Y107-E111 PolarHBondContact O-N 2.91Å; Y107-E111 PolarHBondContact OH-OE1 2.78Å; Y107-E111 PolarHBondContact OH-OE2 3.41Å; Y108-E111 WeakPolarHBondContact O-CB 3.46Å; Y108-E111 PolarHBondContact O-N 2.76Å; P109-E111 VanDerWaalsContact C-N 3.31Å; P109-E111 PolarHBondContact O-N 3.45Å; E111-I113 VanDerWaalsContact C-N 3.33Å; E111-I113 PolarHBondContact O-N 3.28Å; E111-A114 WeakPolarHBondContact O-CB 3.3Å; E111-A114 PolarHBondContact O-N 3.46Å; E111-W115 WeakPolarHBondContact O-CB 3.42Å; E111-W115 PolarHBondContact O-N 3.48Å; E111-W130 HydrophobicContact CG-CH2 4.08Å; E111-W130 HydrophobicContact CG-CZ3 3.86Å
112H97.1Very high96.8Very high27 Ų2750.2 Ų50.213%0.12527%0.268CS..Hα-helixtrans-65.2-39177.8-55.7143.9000112.2R68 L69 D72 Y108 P109 A114 W115 A116R68-H112 PolarHBondContact O-NE2 2.86Å; L69-H112 WeakPolarHBondContact CA-NE2 3.38Å; L69-H112 HydrophobicContact CD2-CB 3.96Å; L69-H112 WeakPolarHBondContact CD2-CD2 3.49Å; D72-H112 VanDerWaalsContact CG-CE1 3.46Å; D72-H112 IonicContact OD1-CE1 3.03Å; D72-H112 PolarHBondContact OD1-CE1 3.36Å; D72-H112 IonicContact OD1-ND1 3.91Å; D72-H112 IonicContact OD2-CE1 3.22Å; D72-H112 PolarHBondContact OD2-CE1 3.3Å; D72-H112 IonicContact OD2-ND1 3.48Å; D72-H112 IonicContact OD2-NE2 3.26Å; Y108-H112 PolarHBondContact O-CD2 2.96Å; Y108-H112 PolarHBondContact O-CE1 3.4Å; Y108-H112 PolarHBondContact O-N 3Å; Y108-H112 PolarHBondContact O-ND1 3.46Å; Y108-H112 VanDerWaalsContact O-ND1 3.11Å; P109-H112 PolarHBondContact O-N 3.25Å; H112-A114 VanDerWaalsContact C-N 3.32Å; H112-W115 PolarHBondContact O-N 2.79Å; H112-A116 WeakPolarHBondContact O-CB 3.48Å; H112-A116 PolarHBondContact O-N 2.84Å
113I97.7Very high96.7Very high48 Ų4857 Ų5725%0.24629%0.291CS..Hα-helixtrans-64.5-41.6174.3-63.5164.5000110P109 E111 A116 A117 I122 V124 W129P109-I113 WeakPolarHBondContact O-CD1 3.39Å; P109-I113 VanDerWaalsContact O-CG1 3.25Å; P109-I113 WeakPolarHBondContact O-CG1 3.46Å; P109-I113 PolarHBondContact O-N 2.91Å; E111-I113 VanDerWaalsContact C-N 3.33Å; E111-I113 PolarHBondContact O-N 3.28Å; I113-A116 PolarHBondContact O-N 3.25Å; I113-A117 VanDerWaalsContact O-CB 3.26Å; I113-A117 WeakPolarHBondContact O-CB 3.48Å; I113-A117 PolarHBondContact O-N 3.12Å; I113-I122 HydrophobicContact CG2-CD1 3.82Å; I113-V124 HydrophobicContact CG2-CG2 3.92Å; I113-W129 HydrophobicContact CB-CD2 3.93Å; I113-W129 HydrophobicContact CB-CE3 4.11Å; I113-W129 HydrophobicContact CB-CG 4.14Å; I113-W129 HydrophobicContact CD1-CD2 4.3Å; I113-W129 HydrophobicContact CD1-CE3 3.9Å; I113-W129 HydrophobicContact CD1-CH2 3.57Å; I113-W129 HydrophobicContact CD1-CZ2 4Å; I113-W129 HydrophobicContact CD1-CZ3 3.51Å; I113-W129 HydrophobicContact CG2-CB 4.44Å; I113-W129 HydrophobicContact CG2-CD2 3.53Å; I113-W129 VanDerWaalsContact CG2-CE2 3.43Å; I113-W129 HydrophobicContact CG2-CE3 4.17Å; I113-W129 HydrophobicContact CG2-CG 3.63Å; I113-W129 HydrophobicContact CG2-CZ2 4.01Å
114A97.3Very high96.6Very high0 Ų060 Ų600%031%0.309CS..Hα-helixtrans-60.8-48.3176.600000111.9C110 E111 H112 A117 D118 W129 W130C110-A114 PolarHBondContact O-N 3.5Å; C110-A114 VanDerWaalsContact O-N 3.08Å; E111-A114 WeakPolarHBondContact O-CB 3.3Å; E111-A114 PolarHBondContact O-N 3.46Å; H112-A114 VanDerWaalsContact C-N 3.32Å; A114-A117 PolarHBondContact O-N 3.25Å; A114-D118 PolarHBondContact O-N 3.01Å; A114-W129 HydrophobicContact CB-CB 3.6Å; A114-W130 HydrophobicContact CB-CB 4.43Å; A114-W130 HydrophobicContact CB-CD2 3.58Å; A114-W130 HydrophobicContact CB-CE3 4.18Å; A114-W130 HydrophobicContact CB-CG 3.7Å; A114-W130 HydrophobicContact CB-CZ2 4.16Å
115W97.7Very high96.4Very high47 Ų4765 Ų6518%0.17833%0.325CS..Hα-helixtrans-63.5-45.5177.2169.481.8000112.5H62 T65 V66 L69 E111 H112 A117 D118 A119 L121H62-W115 AromaticContact CE1-CD1 3.76Å; H62-W115 AromaticContact CE1-NE1 3.48Å; H62-W115 PolarHBondContact CE1-NE1 3.06Å; H62-W115 AromaticContact NE2-NE1 3.9Å; T65-W115 HydrophobicContact CG2-CB 3.93Å; T65-W115 HydrophobicContact CG2-CG 4.05Å; V66-W115 HydrophobicContact CG2-CZ2 4.19Å; L69-W115 HydrophobicContact CD1-CD2 4.39Å; L69-W115 HydrophobicContact CD1-CE3 4.05Å; L69-W115 HydrophobicContact CD1-CH2 3.7Å; L69-W115 HydrophobicContact CD1-CZ2 4.05Å; L69-W115 HydrophobicContact CD1-CZ3 3.69Å; L69-W115 HydrophobicContact CD2-CD2 4.43Å; L69-W115 HydrophobicContact CD2-CE3 3.77Å; L69-W115 HydrophobicContact CD2-CZ3 3.97Å; L69-W115 HydrophobicContact CG-CE3 4.49Å; E111-W115 WeakPolarHBondContact O-CB 3.42Å; E111-W115 PolarHBondContact O-N 3.48Å; H112-W115 PolarHBondContact O-N 2.79Å; W115-A117 VanDerWaalsContact C-N 3.27Å; W115-A117 PolarHBondContact O-N 2.92Å; W115-D118 PolarHBondContact O-N 3.11Å; W115-A119 WeakPolarHBondContact O-CB 3.46Å; W115-A119 PolarHBondContact O-N 2.99Å; W115-L121 HydrophobicContact CH2-CD1 3.92Å; W115-L121 HydrophobicContact CZ3-CD1 3.92Å
116A97.4Very high96.4Very high14 Ų1464 Ų6412%0.11632%0.323CS..Hα-helixtrans-65.4-33.3-18000000112H112 I113 E120 L121 I122H112-A116 WeakPolarHBondContact O-CB 3.48Å; H112-A116 PolarHBondContact O-N 2.84Å; I113-A116 PolarHBondContact O-N 3.25Å; A116-E120 PolarHBondContact O-N 3.42Å; A116-L121 HydrophobicContact CB-CB 4.34Å; A116-L121 HydrophobicContact CB-CD1 4.45Å; A116-L121 WeakPolarHBondContact O-CB 3.32Å; A116-L121 PolarHBondContact O-N 3.36Å; A116-I122 HydrophobicContact CB-CD1 3.94Å; A116-I122 HydrophobicContact CB-CG1 3.92Å; A116-I122 PolarHBondContact O-N 3.4Å
117A97.1Very high96.3Very high12 Ų1263.6 Ų63.610%0.09932%0.322CS..Hα-helixtrans-68.1-44.717300000112.1I113 A114 W115 A119 E120 I122 V124I113-A117 VanDerWaalsContact O-CB 3.26Å; I113-A117 WeakPolarHBondContact O-CB 3.48Å; I113-A117 PolarHBondContact O-N 3.12Å; A114-A117 PolarHBondContact O-N 3.25Å; W115-A117 VanDerWaalsContact C-N 3.27Å; W115-A117 PolarHBondContact O-N 2.92Å; A117-A119 VanDerWaalsContact C-N 3.26Å; A117-A119 PolarHBondContact O-N 3.15Å; A117-E120 PolarHBondContact O-N 3.25Å; A117-E120 VanDerWaalsContact O-N 3.07Å; A117-I122 HydrophobicContact CB-CD1 4.5Å; A117-I122 HydrophobicContact CB-CG1 4.19Å; A117-V124 HydrophobicContact CB-CG2 3.7Å
118D96.3Very high96.3Very high92 Ų9267.1 Ų67.149%0.49234%0.338SS..Hα-helixtrans-64.2-31174.6-79.3-13.1000112.7A114 W115 E120 S126 W130A114-D118 PolarHBondContact O-N 3.01Å; W115-D118 PolarHBondContact O-N 3.11Å; D118-E120 PolarHBondContact O-N 2.82Å; D118-S126 WeakPolarHBondContact OD1-CB 3.48Å; D118-S126 PolarHBondContact OD1-OG 3.05Å; D118-W130 PolarHBondContact OD2-NE1 2.6Å
119A96.3Very high96.4Very high47 Ų4769.5 Ų69.539%0.38835%0.347SS..THydrogen-bonded Turntrans-81.95.5174.700000113.6W115 A117 L121W115-A119 WeakPolarHBondContact O-CB 3.46Å; W115-A119 PolarHBondContact O-N 2.99Å; A117-A119 VanDerWaalsContact C-N 3.26Å; A117-A119 PolarHBondContact O-N 3.15Å; A119-L121 HydrophobicContact CB-CD1 4.2Å; A119-L121 HydrophobicContact CB-CG 3.98Å; A119-L121 PolarHBondContact O-N 3.31Å; A119-L121 VanDerWaalsContact O-N 3.08Å
120E96.3Very high96.4Very high177 Ų17770.4 Ų70.483%0.82734%0.343SS*.THydrogen-bonded Turntrans5818.2-178.3-54.6-171.4157.100114.9A116 A117 D118 I122A116-E120 PolarHBondContact O-N 3.42Å; A117-E120 PolarHBondContact O-N 3.25Å; A117-E120 VanDerWaalsContact O-N 3.07Å; D118-E120 PolarHBondContact O-N 2.82Å; E120-I122 VanDerWaalsContact C-N 3.3Å
121L96.5Very high96.4Very high119 Ų11972.6 Ų72.662%0.62335%0.353SS*.SBendtrans-72.8-28.1176.8-59.8177.4000111.6W115 A116 A119W115-L121 HydrophobicContact CH2-CD1 3.92Å; W115-L121 HydrophobicContact CZ3-CD1 3.92Å; A116-L121 HydrophobicContact CB-CB 4.34Å; A116-L121 HydrophobicContact CB-CD1 4.45Å; A116-L121 WeakPolarHBondContact O-CB 3.32Å; A116-L121 PolarHBondContact O-N 3.36Å; A119-L121 HydrophobicContact CB-CD1 4.2Å; A119-L121 HydrophobicContact CB-CG 3.98Å; A119-L121 PolarHBondContact O-N 3.31Å; A119-L121 VanDerWaalsContact O-N 3.08Å
122I96.8Very high96.4Very high69 Ų6977.7 Ų77.735%0.35438%0.375SS..SBendtrans-135.3146.6178.358.1171.2000111.1I113 A116 A117 E120 V124I113-I122 HydrophobicContact CG2-CD1 3.82Å; A116-I122 HydrophobicContact CB-CD1 3.94Å; A116-I122 HydrophobicContact CB-CG1 3.92Å; A116-I122 PolarHBondContact O-N 3.4Å; A117-I122 HydrophobicContact CB-CD1 4.5Å; A117-I122 HydrophobicContact CB-CG1 4.19Å; E120-I122 VanDerWaalsContact C-N 3.3Å; I122-V124 HydrophobicContact CD1-CG2 3.59Å; I122-V124 HydrophobicContact CG1-CG2 3.96Å; I122-V124 PolarHBondContact O-N 3.49Å
123K94.4Very high96.4Very high218 Ų21876.5 Ų76.595%0.94837%0.37SS*.  trans-9267.7-178.5-63.1-176.1-178.2179.80111.8
124V95.4Very high96.4Very high71 Ų7174.9 Ų74.943%0.4336%0.363SS..SBendtrans-130.5163.7172.3-58.20000109.9I113 A117 I122I113-V124 HydrophobicContact CG2-CG2 3.92Å; A117-V124 HydrophobicContact CB-CG2 3.7Å; I122-V124 HydrophobicContact CD1-CG2 3.59Å; I122-V124 HydrophobicContact CG1-CG2 3.96Å; I122-V124 PolarHBondContact O-N 3.49Å
125R93.6Very high96.4Very high144 Ų14477.8 Ų77.854%0.54338%0.38SS..  trans-82.3119.8178.1-56.9-168.5-75.3149.5-29.2110.9D127 K128R125-D127 WeakPolarHBondContact CB-OD1 3.29Å; R125-D127 IonicContact NH1-OD1 3.6Å; R125-D127 IonicContact NH1-OD2 3.61Å; R125-D127 PolarHBondContact NH1-OD2 2.91Å; R125-K128 VanDerWaalsContact CZ-CE 3.5Å
126S95.2Very high96.4Very high28 Ų2877.2 Ų77.220%0.19638%0.38CS..Hα-helixtrans-70.2-32.6-177.458.40000113.5D118 K128 W129 W130D118-S126 WeakPolarHBondContact OD1-CB 3.48Å; D118-S126 PolarHBondContact OD1-OG 3.05Å; S126-K128 VanDerWaalsContact C-N 3.31Å; S126-K128 PolarHBondContact O-N 3.47Å; S126-W129 PolarHBondContact O-N 3.01Å; S126-W130 PolarHBondContact O-N 3.42Å
127D95.1Very high96.5Very high84 Ų8478.4 Ų78.445%0.44938%0.382SS..Hα-helixtrans-46.9-48.9-179.365.9-30000113.5R125 L131R125-D127 WeakPolarHBondContact CB-OD1 3.29Å; R125-D127 IonicContact NH1-OD1 3.6Å; R125-D127 IonicContact NH1-OD2 3.61Å; R125-D127 PolarHBondContact NH1-OD2 2.91Å; D127-L131 PolarHBondContact O-N 2.99Å
128K95.6Very high96.5Very high102 Ų10278.1 Ų78.144%0.44338%0.38SS..Hα-helixtrans-68.8-39.9-179.4-72.8-175.1167-176.40112.4R125 S126 L131 F132R125-K128 VanDerWaalsContact CZ-CE 3.5Å; S126-K128 VanDerWaalsContact C-N 3.31Å; S126-K128 PolarHBondContact O-N 3.47Å; K128-L131 WeakPolarHBondContact O-CB 3.22Å; K128-L131 PolarHBondContact O-N 3.35Å; K128-F132 HydrophobicContact CB-CE2 4.31Å; K128-F132 WeakPolarHBondContact O-CD2 3.37Å; K128-F132 WeakPolarHBondContact O-CG 3.26Å; K128-F132 PolarHBondContact O-N 2.83Å
129W97.6Very high96.6Very high81 Ų8176.7 Ų76.731%0.30738%0.375SS..Hα-helixtrans-71.2-38-178.7-69107.9000111.7C110 I113 A114 S126 L131 F132 S133C110-W129 HydrophobicContact CB-CE3 4.16Å; I113-W129 HydrophobicContact CB-CD2 3.93Å; I113-W129 HydrophobicContact CB-CE3 4.11Å; I113-W129 HydrophobicContact CB-CG 4.14Å; I113-W129 HydrophobicContact CD1-CD2 4.3Å; I113-W129 HydrophobicContact CD1-CE3 3.9Å; I113-W129 HydrophobicContact CD1-CH2 3.57Å; I113-W129 HydrophobicContact CD1-CZ2 4Å; I113-W129 HydrophobicContact CD1-CZ3 3.51Å; I113-W129 HydrophobicContact CG2-CB 4.44Å; I113-W129 HydrophobicContact CG2-CD2 3.53Å; I113-W129 VanDerWaalsContact CG2-CE2 3.43Å; I113-W129 HydrophobicContact CG2-CE3 4.17Å; I113-W129 HydrophobicContact CG2-CG 3.63Å; I113-W129 HydrophobicContact CG2-CZ2 4.01Å; A114-W129 HydrophobicContact CB-CB 3.6Å; S126-W129 PolarHBondContact O-N 3.01Å; W129-L131 VanDerWaalsContact C-N 3.32Å; W129-L131 PolarHBondContact O-N 2.87Å; W129-F132 HydrophobicContact CE3-CD2 4.5Å; W129-F132 PolarHBondContact O-N 3.39Å; W129-S133 PolarHBondContact O-N 2.8Å; W129-S133 PolarHBondContact O-OG 2.85Å
130W97.1Very high96.7Very high72 Ų7275.1 Ų75.127%0.27336%0.361SS..Hα-helixtrans-61.2-39.9168.9-81.1123.6000112.5T65 E111 A114 D118 S126 S133 T134T65-W130 HydrophobicContact CG2-CH2 3.91Å; E111-W130 HydrophobicContact CG-CH2 4.08Å; E111-W130 HydrophobicContact CG-CZ3 3.86Å; A114-W130 HydrophobicContact CB-CB 4.43Å; A114-W130 HydrophobicContact CB-CD2 3.58Å; A114-W130 HydrophobicContact CB-CE3 4.18Å; A114-W130 HydrophobicContact CB-CG 3.7Å; A114-W130 HydrophobicContact CB-CZ2 4.16Å; D118-W130 PolarHBondContact OD2-NE1 2.6Å; S126-W130 PolarHBondContact O-N 3.42Å; W130-S133 PolarHBondContact O-OG 3.43Å; W130-T134 VanDerWaalsContact O-CB 3.3Å; W130-T134 WeakPolarHBondContact O-CB 3.39Å; W130-T134 PolarHBondContact O-N 3.32Å; W130-T134 PolarHBondContact O-OG1 3.15Å
131L96.7Very high96.8Very high65 Ų6567.5 Ų67.534%0.3433%0.326SS..Hα-helixtrans-63.8-47.6174.7178.258.9000111.4D127 K128 W129 T134 V135 P200D127-L131 PolarHBondContact O-N 2.99Å; K128-L131 WeakPolarHBondContact O-CB 3.22Å; K128-L131 PolarHBondContact O-N 3.35Å; W129-L131 VanDerWaalsContact C-N 3.32Å; W129-L131 PolarHBondContact O-N 2.87Å; L131-T134 PolarHBondContact O-N 3.12Å; L131-V135 HydrophobicContact CD1-CG2 4.09Å; L131-V135 WeakPolarHBondContact O-CG2 3.13Å; L131-V135 PolarHBondContact O-N 3.07Å; L131-P200 VanDerWaalsContact CD1-CD 3.48Å; L131-P200 HydrophobicContact CD1-CG 3.67Å; L131-P200 HydrophobicContact CD2-CG 4.09Å
132F97.6Very high96.9Very high114 Ų11466.1 Ų66.150%0.532%0.318SS..Hα-helixtrans-60.8-46178.6-72.4-55.1000112C110 K128 W129 T134 V135 L136C110-F132 HydrophobicContact CB-CB 4.43Å; K128-F132 HydrophobicContact CB-CE2 4.31Å; K128-F132 WeakPolarHBondContact O-CD2 3.37Å; K128-F132 WeakPolarHBondContact O-CG 3.26Å; K128-F132 PolarHBondContact O-N 2.83Å; W129-F132 HydrophobicContact CE3-CD2 4.5Å; W129-F132 PolarHBondContact O-N 3.39Å; F132-T134 VanDerWaalsContact C-N 3.34Å; F132-T134 PolarHBondContact O-N 3.15Å; F132-V135 PolarHBondContact O-N 3.38Å; F132-L136 WeakPolarHBondContact O-CB 3.3Å; F132-L136 VanDerWaalsContact O-CG 3.3Å; F132-L136 WeakPolarHBondContact O-CG 3.28Å; F132-L136 PolarHBondContact O-N 2.53Å
133S97.3Very high96.9Very high2 Ų264 Ų641%0.01431%0.308CS..Hα-helixtrans-62-42.2176.4660000111.2Y107 W129 W130 V135 L136 W137Y107-S133 VanDerWaalsContact CD2-O 3.26Å; Y107-S133 WeakPolarHBondContact CD2-O 3.36Å; W129-S133 PolarHBondContact O-N 2.8Å; W129-S133 PolarHBondContact O-OG 2.85Å; W130-S133 PolarHBondContact O-OG 3.43Å; S133-V135 PolarHBondContact O-N 2.96Å; S133-L136 PolarHBondContact O-N 2.98Å; S133-W137 WeakPolarHBondContact O-CB 3.33Å; S133-W137 PolarHBondContact O-N 3.21Å
134T97.2Very high97.1Very high15 Ų1554.3 Ų54.39%0.09227%0.27CS..Hα-helixtrans-63-40.3177-57.20000112.3W130 L131 F132 G138 A195 W198 M199W130-T134 VanDerWaalsContact O-CB 3.3Å; W130-T134 WeakPolarHBondContact O-CB 3.39Å; W130-T134 PolarHBondContact O-N 3.32Å; W130-T134 PolarHBondContact O-OG1 3.15Å; L131-T134 PolarHBondContact O-N 3.12Å; F132-T134 VanDerWaalsContact C-N 3.34Å; F132-T134 PolarHBondContact O-N 3.15Å; T134-G138 PolarHBondContact O-N 3.39Å; T134-A195 WeakPolarHBondContact CG2-O 3.29Å; T134-W198 HydrophobicContact CG2-CB 4.15Å; T134-M199 HydrophobicContact CG2-CG 4.22Å
135V97.9Very high97.2Very high61 Ų6152.1 Ų52.137%0.3726%0.255SS..Hα-helixtrans-67.3-43.1176.5169.50000111.4L131 F132 S133 G138 T139L131-V135 HydrophobicContact CD1-CG2 4.09Å; L131-V135 WeakPolarHBondContact O-CG2 3.13Å; L131-V135 PolarHBondContact O-N 3.07Å; F132-V135 PolarHBondContact O-N 3.38Å; S133-V135 PolarHBondContact O-N 2.96Å; V135-G138 PolarHBondContact O-N 3.01Å; V135-T139 WeakPolarHBondContact O-CB 3.4Å; V135-T139 PolarHBondContact O-N 3.35Å; V135-T139 PolarHBondContact O-OG1 3.45Å
136L98.3Very high97.4Very high34 Ų3449.4 Ų49.418%0.17825%0.251CS..Hα-helixtrans-63-45.7176.8-73.2165.7000111.1L106 C110 F132 S133 T139 S140L106-L136 HydrophobicContact CB-CD1 3.79Å; L106-L136 HydrophobicContact CB-CD2 4.05Å; L106-L136 HydrophobicContact CD1-CD2 4.38Å; C110-L136 HydrophobicContact CB-CD1 4.37Å; F132-L136 WeakPolarHBondContact O-CB 3.3Å; F132-L136 VanDerWaalsContact O-CG 3.3Å; F132-L136 WeakPolarHBondContact O-CG 3.28Å; F132-L136 PolarHBondContact O-N 2.53Å; S133-L136 PolarHBondContact O-N 2.98Å; L136-T139 PolarHBondContact O-N 2.91Å; L136-S140 WeakPolarHBondContact O-CB 3.49Å; L136-S140 PolarHBondContact O-N 3Å
137W98.1Very high97.5Very high40 Ų4050.9 Ų50.915%0.15225%0.252CS..Hα-helixtrans-61.1-48.1175.2-18049000112Y107 S133 T139 S140 L141 D191 A195 W198Y107-W137 HydrophobicContact CD2-CB 3.79Å; Y107-W137 HydrophobicContact CE2-CB 3.72Å; Y107-W137 HydrophobicContact CE2-CG 4.3Å; S133-W137 WeakPolarHBondContact O-CB 3.33Å; S133-W137 PolarHBondContact O-N 3.21Å; W137-T139 VanDerWaalsContact C-N 3.28Å; W137-T139 PolarHBondContact O-N 3.21Å; W137-S140 PolarHBondContact O-N 2.95Å; W137-L141 HydrophobicContact CD2-CD1 3.93Å; W137-L141 HydrophobicContact CE3-CD1 4.46Å; W137-L141 HydrophobicContact CG-CD1 4.31Å; W137-L141 HydrophobicContact CH2-CD1 4.36Å; W137-L141 HydrophobicContact CZ2-CD1 3.83Å; W137-L141 VanDerWaalsContact O-CG 3.32Å; W137-L141 WeakPolarHBondContact O-CG 3.4Å; W137-L141 PolarHBondContact O-N 3.32Å; W137-D191 HydrophobicContact CH2-CB 4.27Å; W137-D191 HydrophobicContact CZ2-CB 3.83Å; W137-A195 HydrophobicContact CD2-CB 4.4Å; W137-A195 HydrophobicContact CE3-CB 3.55Å; W137-A195 HydrophobicContact CH2-CB 4.24Å; W137-A195 HydrophobicContact CZ3-CB 3.44Å; W137-A195 VanDerWaalsContact CZ3-CB 3.44Å; W137-W198 HydrophobicContact CE3-CE3 4.29Å; W137-W198 HydrophobicContact CE3-CZ3 4.15Å; W137-W198 HydrophobicContact CH2-CE3 4.29Å; W137-W198 HydrophobicContact CH2-CH2 4.3Å; W137-W198 AromaticContact CH2-CZ3 3.61Å; W137-W198 HydrophobicContact CH2-CZ3 3.61Å; W137-W198 AromaticContact CZ3-CE3 3.5Å; W137-W198 HydrophobicContact CZ3-CE3 3.5Å; W137-W198 HydrophobicContact CZ3-CH2 4.29Å; W137-W198 AromaticContact CZ3-CZ3 3.22Å; W137-W198 HydrophobicContact CZ3-CZ3 3.22Å
138G98.3Very high97.6Very high6 Ų647 Ų476%0.06223%0.232CC..Hα-helixtrans-59.2-38.5175.400000113T134 V135 L141 L142 L192T134-G138 PolarHBondContact O-N 3.39Å; V135-G138 PolarHBondContact O-N 3.01Å; G138-L141 PolarHBondContact O-N 2.89Å; G138-L142 PolarHBondContact O-N 2.79Å; G138-L192 WeakPolarHBondContact O-CD1 3.31Å
139T98.2Very high97.7Very high62 Ų6247.5 Ų47.538%0.3823%0.234SC..Hα-helixtrans-66.5-45.9176-58.50000111.2V135 L136 W137 L141 L142 L143V135-T139 WeakPolarHBondContact O-CB 3.4Å; V135-T139 PolarHBondContact O-N 3.35Å; V135-T139 PolarHBondContact O-OG1 3.45Å; L136-T139 PolarHBondContact O-N 2.91Å; W137-T139 VanDerWaalsContact C-N 3.28Å; W137-T139 PolarHBondContact O-N 3.21Å; T139-L141 VanDerWaalsContact C-N 3.33Å; T139-L141 PolarHBondContact O-N 3.02Å; T139-L142 PolarHBondContact O-N 3.03Å; T139-L143 HydrophobicContact CG2-CD1 4.02Å; T139-L143 HydrophobicContact CG2-CG 4.44Å; T139-L143 VanDerWaalsContact O-CG 3.32Å; T139-L143 WeakPolarHBondContact O-CG 3.16Å; T139-L143 PolarHBondContact O-N 2.99Å
140S97.9Very high97.7Very high13 Ų1348.4 Ų48.49%0.09124%0.237CC..Hα-helixtrans-58-44.6175.6176.60000111.7D104 L136 W137 L142 L143 G144D104-S140 WeakPolarHBondContact OD1-CB 3.25Å; D104-S140 PolarHBondContact OD1-OG 2.98Å; D104-S140 PolarHBondContact OD2-OG 3.5Å; L136-S140 WeakPolarHBondContact O-CB 3.49Å; L136-S140 PolarHBondContact O-N 3Å; W137-S140 PolarHBondContact O-N 2.95Å; S140-L142 PolarHBondContact O-N 3.25Å; S140-L143 PolarHBondContact O-N 3.24Å; S140-G144 PolarHBondContact O-N 3.05Å
141L98.3Very high97.7Very high18 Ų1846.2 Ų46.29%0.09423%0.232CC..Hα-helixtrans-60.7-44.9175.4-70.5168.4000112.4W137 G138 T139 G144 I145 D191 L192 A195W137-L141 HydrophobicContact CD2-CD1 3.93Å; W137-L141 HydrophobicContact CE3-CD1 4.46Å; W137-L141 HydrophobicContact CG-CD1 4.31Å; W137-L141 HydrophobicContact CH2-CD1 4.36Å; W137-L141 HydrophobicContact CZ2-CD1 3.83Å; W137-L141 VanDerWaalsContact O-CG 3.32Å; W137-L141 WeakPolarHBondContact O-CG 3.4Å; W137-L141 PolarHBondContact O-N 3.32Å; G138-L141 PolarHBondContact O-N 2.89Å; T139-L141 VanDerWaalsContact C-N 3.33Å; T139-L141 PolarHBondContact O-N 3.02Å; L141-G144 PolarHBondContact O-N 3.31Å; L141-I145 VanDerWaalsContact O-CG1 3.3Å; L141-I145 WeakPolarHBondContact O-CG1 3.42Å; L141-I145 PolarHBondContact O-N 3.47Å; L141-D191 HydrophobicContact CD1-CB 3.84Å; L141-D191 HydrophobicContact CD2-CB 3.82Å; L141-L192 HydrophobicContact CB-CB 4.3Å; L141-L192 HydrophobicContact CB-CD1 4.25Å; L141-L192 HydrophobicContact CD1-CB 4.3Å; L141-A195 HydrophobicContact CD1-CB 4.23Å
142L98.4Very high97.6Very high90 Ų9043.6 Ų43.647%0.47122%0.218SC..Hα-helixtrans-61.8-46.8177.2179.462.5000111.4G138 T139 S140 G144 I145 L146G138-L142 PolarHBondContact O-N 2.79Å; T139-L142 PolarHBondContact O-N 3.03Å; S140-L142 PolarHBondContact O-N 3.25Å; L142-G144 VanDerWaalsContact C-N 3.33Å; L142-G144 PolarHBondContact O-N 2.94Å; L142-I145 PolarHBondContact O-N 3.43Å; L142-L146 HydrophobicContact CG-CD1 4.47Å; L142-L146 WeakPolarHBondContact O-CG 3.15Å; L142-L146 PolarHBondContact O-N 3.38Å
143L98.1Very high97.5Very high25 Ų2541.3 Ų41.313%0.13121%0.211CC..Hα-helixtrans-61.7-41.4175.8-68.1170000111.3I96 L99 T100 T139 S140 I145 L146 R147I96-L143 HydrophobicContact CG2-CB 4Å; I96-L143 HydrophobicContact CG2-CD2 4.25Å; I96-L143 WeakPolarHBondContact CG2-O 3.26Å; L99-L143 HydrophobicContact CB-CD1 3.76Å; L99-L143 HydrophobicContact CB-CD2 4.42Å; T100-L143 WeakPolarHBondContact OG1-CB 3.42Å; T139-L143 HydrophobicContact CG2-CD1 4.02Å; T139-L143 HydrophobicContact CG2-CG 4.44Å; T139-L143 VanDerWaalsContact O-CG 3.32Å; T139-L143 WeakPolarHBondContact O-CG 3.16Å; T139-L143 PolarHBondContact O-N 2.99Å; S140-L143 PolarHBondContact O-N 3.24Å; L143-I145 VanDerWaalsContact C-N 3.35Å; L143-I145 PolarHBondContact O-N 3Å; L143-L146 PolarHBondContact O-N 3.01Å; L143-R147 WeakPolarHBondContact O-CB 3.48Å; L143-R147 PolarHBondContact O-N 3.45Å
144G97.3Very high97.4Very high14 Ų1443.3 Ų43.314%0.14422%0.221CC..Hα-helixtrans-60.2-40.4175.300000113.1S140 L141 L142 S148S140-G144 PolarHBondContact O-N 3.05Å; L141-G144 PolarHBondContact O-N 3.31Å; L142-G144 VanDerWaalsContact C-N 3.33Å; L142-G144 PolarHBondContact O-N 2.94Å; G144-S148 WeakPolarHBondContact O-CB 3.23Å; G144-S148 PolarHBondContact O-N 2.95Å; G144-S148 PolarHBondContact O-OG 3.47Å
145I98.2Very high97.3Very high25 Ų2543 Ų4313%0.12822%0.219CC..Hα-helixtrans-63-47.8172.9-67.7161000110.3L141 L142 L143 R147 S148 F149 I185 M189 L192L141-I145 VanDerWaalsContact O-CG1 3.3Å; L141-I145 WeakPolarHBondContact O-CG1 3.42Å; L141-I145 PolarHBondContact O-N 3.47Å; L142-I145 PolarHBondContact O-N 3.43Å; L143-I145 VanDerWaalsContact C-N 3.35Å; L143-I145 PolarHBondContact O-N 3Å; I145-R147 PolarHBondContact O-N 2.98Å; I145-S148 PolarHBondContact O-N 3.04Å; I145-F149 VanDerWaalsContact O-CB 3.29Å; I145-F149 WeakPolarHBondContact O-CB 3.44Å; I145-F149 PolarHBondContact O-N 3.41Å; I145-I185 HydrophobicContact CG2-CG2 4.38Å; I145-M189 HydrophobicContact CD1-CB 4.48Å; I145-M189 HydrophobicContact CD1-CG 3.69Å; I145-M189 HydrophobicContact CG1-CG 4.23Å; I145-L192 HydrophobicContact CD1-CD2 3.87Å
146L98.1Very high97Very high86 Ų8645.9 Ų45.945%0.4522%0.223SC..Hα-helixtrans-61.5-43.2179.3-67.9173.4000111.8I96 L142 L143 F149 R150I96-L146 HydrophobicContact CD1-CB 4.25Å; L142-L146 HydrophobicContact CG-CD1 4.47Å; L142-L146 WeakPolarHBondContact O-CG 3.15Å; L142-L146 PolarHBondContact O-N 3.38Å; L143-L146 PolarHBondContact O-N 3.01Å; L146-F149 PolarHBondContact O-N 3.5Å; L146-R150 WeakPolarHBondContact O-CB 3.38Å; L146-R150 PolarHBondContact O-N 2.98Å
147R97.3Very high96.7Very high60 Ų6050.8 Ų50.823%0.22624%0.243CC..Hα-helixtrans-58.1-54.4174.9-168.9-15970.280.414.1110.5V93 I96 S97 L143 I145 F149 R150 V151 E181V93-R147 HydrophobicContact CG1-CG 4.01Å; I96-R147 HydrophobicContact CG2-CB 3.74Å; I96-R147 HydrophobicContact CG2-CG 4.45Å; S97-R147 VanDerWaalsContact OG-CD 3.32Å; S97-R147 WeakPolarHBondContact OG-CD 3.32Å; L143-R147 WeakPolarHBondContact O-CB 3.48Å; L143-R147 PolarHBondContact O-N 3.45Å; I145-R147 PolarHBondContact O-N 2.98Å; R147-F149 VanDerWaalsContact C-N 3.29Å; R147-F149 PolarHBondContact O-N 2.82Å; R147-R150 WeakPolarHBondContact O-CB 3.43Å; R147-R150 PolarHBondContact O-N 3.17Å; R147-R150 VanDerWaalsContact O-N 3.12Å; R147-V151 WeakPolarHBondContact O-CG2 3.3Å; R147-V151 PolarHBondContact O-N 3.43Å; R147-E181 IonicContact NH1-OE1 3.6Å; R147-E181 IonicContact NH2-OE1 3.77Å; R147-E181 PolarHBondContact NH2-OE1 3.28Å; R147-E181 IonicContact NH2-OE2 2.8Å; R147-E181 PolarHBondContact NH2-OE2 2.92Å; R147-E181 VanDerWaalsContact NH2-OE2 3.12Å
148S96.9Very high96.3Very high3 Ų353.6 Ų53.62%0.02126%0.256CS..Hα-helixtrans-62.9-38.2-176.8-530000111.3G144 I145 V151 L152 E181G144-S148 WeakPolarHBondContact O-CB 3.23Å; G144-S148 PolarHBondContact O-N 2.95Å; G144-S148 PolarHBondContact O-OG 3.47Å; I145-S148 PolarHBondContact O-N 3.04Å; S148-V151 PolarHBondContact O-N 3.28Å; S148-L152 VanDerWaalsContact O-CB 3.31Å; S148-L152 WeakPolarHBondContact O-CB 3.14Å; S148-L152 PolarHBondContact O-N 3.49Å; S148-E181 VanDerWaalsContact CA-OE2 3.24Å; S148-E181 WeakPolarHBondContact CA-OE2 3.45Å; S148-E181 WeakPolarHBondContact CB-OE2 3.39Å; S148-E181 PolarHBondContact OG-OE2 3.24Å
149F97.5Very high95.9Very high111 Ų11155 Ų5549%0.48726%0.262SS..Hα-helixtrans-65-43.9173.7-171.8-102.6000112.2I145 L146 R147 L152 L153 I185I145-F149 VanDerWaalsContact O-CB 3.29Å; I145-F149 WeakPolarHBondContact O-CB 3.44Å; I145-F149 PolarHBondContact O-N 3.41Å; L146-F149 PolarHBondContact O-N 3.5Å; R147-F149 VanDerWaalsContact C-N 3.29Å; R147-F149 PolarHBondContact O-N 2.82Å; F149-L152 WeakPolarHBondContact O-CB 3.48Å; F149-L152 PolarHBondContact O-N 3.3Å; F149-L153 HydrophobicContact CD1-CD1 4.03Å; F149-L153 HydrophobicContact CD1-CG 4.4Å; F149-L153 HydrophobicContact CE1-CD1 3.66Å; F149-L153 HydrophobicContact CE1-CG 4.15Å; F149-L153 HydrophobicContact CZ-CD1 4.34Å; F149-L153 HydrophobicContact CZ-CD2 4.42Å; F149-L153 HydrophobicContact CZ-CG 4.47Å; F149-L153 WeakPolarHBondContact O-CG 3.32Å; F149-L153 PolarHBondContact O-N 3.02Å; F149-I185 HydrophobicContact CB-CD1 4.34Å
150R97Very high95.3Very high100 Ų10060 Ų6038%0.37728%0.279SS..Hα-helixtrans-60.2-47.1175.5-178.765.2178-166.92.3111.2D90 V93 L146 R147 L152 L153 L154D90-R150 IonicContact OD1-CZ 2.62Å; D90-R150 IonicContact OD1-NE 3.73Å; D90-R150 PolarHBondContact OD1-NE 3.13Å; D90-R150 IonicContact OD1-NH2 2.6Å; D90-R150 IonicContact OD2-CZ 3.66Å; D90-R150 IonicContact OD2-NE 3.29Å; D90-R150 PolarHBondContact OD2-NE 3.2Å; D90-R150 IonicContact OD2-NH2 3.38Å; D90-R150 PolarHBondContact OD2-NH2 3.43Å; V93-R150 HydrophobicContact CG2-CB 4.23Å; V93-R150 HydrophobicContact CG2-CG 3.66Å; L146-R150 WeakPolarHBondContact O-CB 3.38Å; L146-R150 PolarHBondContact O-N 2.98Å; R147-R150 WeakPolarHBondContact O-CB 3.43Å; R147-R150 PolarHBondContact O-N 3.17Å; R147-R150 VanDerWaalsContact O-N 3.12Å; R150-L152 VanDerWaalsContact C-N 3.34Å; R150-L152 PolarHBondContact O-N 3.29Å; R150-L153 PolarHBondContact O-N 2.96Å; R150-L154 HydrophobicContact CG-CD1 4.46Å; R150-L154 WeakPolarHBondContact O-CG 3.47Å; R150-L154 PolarHBondContact O-N 3.41Å
151V96.5Very high94.7Very high27 Ų2767.7 Ų67.716%0.16431%0.311CS..Hα-helixtrans-60-44.8176.1175.50000110.7V93 R147 S148 L153 L154 L155 E181V93-V151 HydrophobicContact CG1-CG2 4.24Å; V93-V151 HydrophobicContact CG2-CG2 3.85Å; R147-V151 WeakPolarHBondContact O-CG2 3.3Å; R147-V151 PolarHBondContact O-N 3.43Å; S148-V151 PolarHBondContact O-N 3.28Å; V151-L153 VanDerWaalsContact C-N 3.3Å; V151-L153 PolarHBondContact O-N 3.15Å; V151-L154 WeakPolarHBondContact O-CB 3.39Å; V151-L154 PolarHBondContact O-N 3.46Å; V151-L154 VanDerWaalsContact O-N 3.08Å; V151-L155 HydrophobicContact CG1-CD1 3.92Å; V151-L155 HydrophobicContact CG1-CG 4.18Å; V151-L155 WeakPolarHBondContact O-CG 3.01Å; V151-L155 PolarHBondContact O-N 2.83Å; V151-E181 HydrophobicContact CB-CG 4.32Å; V151-E181 HydrophobicContact CG1-CG 3.86Å
152L96.2Very high93.5Very high9 Ų970.3 Ų70.35%0.04732%0.322CS..Hα-helixtrans-58.3-40.6176.9-175.963.3000112.4S148 F149 R150 R156 M178 M182 I185S148-L152 VanDerWaalsContact O-CB 3.31Å; S148-L152 WeakPolarHBondContact O-CB 3.14Å; S148-L152 PolarHBondContact O-N 3.49Å; F149-L152 WeakPolarHBondContact O-CB 3.48Å; F149-L152 PolarHBondContact O-N 3.3Å; R150-L152 VanDerWaalsContact C-N 3.34Å; R150-L152 PolarHBondContact O-N 3.29Å; L152-R156 WeakPolarHBondContact O-CB 3.4Å; L152-R156 VanDerWaalsContact O-CG 3.31Å; L152-R156 WeakPolarHBondContact O-CG 3.28Å; L152-R156 PolarHBondContact O-N 3.31Å; L152-M178 HydrophobicContact CD1-CB 3.79Å; L152-M178 HydrophobicContact CD1-CE 4.03Å; L152-M178 HydrophobicContact CD1-CG 3.84Å; L152-M182 HydrophobicContact CD1-CG 4.31Å; L152-M182 HydrophobicContact CD2-CG 4.01Å; L152-I185 HydrophobicContact CD2-CD1 4.27Å
153L95.6Very high91.9Very high66 Ų6676.1 Ų76.135%0.34634%0.338SS..Hα-helixtrans-65.5-40.5174.7-67.9179.4000112.3F149 R150 V151 R156 K157F149-L153 HydrophobicContact CD1-CD1 4.03Å; F149-L153 HydrophobicContact CD1-CG 4.4Å; F149-L153 HydrophobicContact CE1-CD1 3.66Å; F149-L153 HydrophobicContact CE1-CG 4.15Å; F149-L153 HydrophobicContact CZ-CD1 4.34Å; F149-L153 HydrophobicContact CZ-CD2 4.42Å; F149-L153 HydrophobicContact CZ-CG 4.47Å; F149-L153 WeakPolarHBondContact O-CG 3.32Å; F149-L153 PolarHBondContact O-N 3.02Å; R150-L153 PolarHBondContact O-N 2.96Å; V151-L153 VanDerWaalsContact C-N 3.3Å; V151-L153 PolarHBondContact O-N 3.15Å; L153-R156 PolarHBondContact O-N 3.03Å; L153-K157 WeakPolarHBondContact O-CG 3.22Å; L153-K157 PolarHBondContact O-N 3.44Å
154L94.9Very high90.2Very high44 Ų4486.7 Ų86.723%0.2338%0.376CS..Hα-helixtrans-65-43.9176.2-66.6173000111.3D90 V93 R150 V151 R156 K157 K158D90-L154 HydrophobicContact CB-CD1 3.7Å; V93-L154 HydrophobicContact CG2-CD1 4.21Å; R150-L154 HydrophobicContact CG-CD1 4.46Å; R150-L154 WeakPolarHBondContact O-CG 3.47Å; R150-L154 PolarHBondContact O-N 3.41Å; V151-L154 WeakPolarHBondContact O-CB 3.39Å; V151-L154 PolarHBondContact O-N 3.46Å; V151-L154 VanDerWaalsContact O-N 3.08Å; L154-R156 PolarHBondContact O-N 2.74Å; L154-K157 WeakPolarHBondContact O-CB 3.22Å; L154-K157 PolarHBondContact O-N 2.95Å; L154-K158 WeakPolarHBondContact O-CG 3.25Å; L154-K158 PolarHBondContact O-N 3.48Å
155L93.9Very high88.3Confident9 Ų988.1 Ų88.15%0.04739%0.391CS..Hα-helixtrans-61.1-43.5175.6-69.8173.4000111.7V151 K157 K158 L159 L174 Q177 M178 E181V151-L155 HydrophobicContact CG1-CD1 3.92Å; V151-L155 HydrophobicContact CG1-CG 4.18Å; V151-L155 WeakPolarHBondContact O-CG 3.01Å; V151-L155 PolarHBondContact O-N 2.83Å; L155-K157 VanDerWaalsContact C-N 3.31Å; L155-K157 PolarHBondContact O-N 3.45Å; L155-K158 PolarHBondContact O-N 3.27Å; L155-L159 WeakPolarHBondContact O-CB 3.39Å; L155-L159 PolarHBondContact O-N 3.01Å; L155-L174 HydrophobicContact CD2-CD2 3.77Å; L155-Q177 HydrophobicContact CD1-CB 3.77Å; L155-Q177 HydrophobicContact CD2-CB 4.32Å; L155-Q177 VanDerWaalsContact CD2-OE1 3.23Å; L155-M178 HydrophobicContact CB-CG 3.68Å; L155-M178 HydrophobicContact CB-SD 4.35Å; L155-M178 HydrophobicContact CD1-CG 3.91Å; L155-M178 HydrophobicContact CG-CG 4.43Å; L155-E181 HydrophobicContact CD1-CG 4.33Å
156R92.3Very high86.2Confident121 Ų12196.3 Ų96.346%0.45743%0.429SS..Hα-helixtrans-60.3-39.2174.2-76.4178.6177.8-169.20.5112.3L152 L153 L154 K160 M178L152-R156 WeakPolarHBondContact O-CB 3.4Å; L152-R156 VanDerWaalsContact O-CG 3.31Å; L152-R156 WeakPolarHBondContact O-CG 3.28Å; L152-R156 PolarHBondContact O-N 3.31Å; L153-R156 PolarHBondContact O-N 3.03Å; L154-R156 PolarHBondContact O-N 2.74Å; R156-K160 WeakPolarHBondContact O-CG 3.3Å; R156-K160 PolarHBondContact O-N 2.78Å; R156-K160 VanDerWaalsContact O-N 3.09Å; R156-M178 HydrophobicContact CG-CE 3.53Å; R156-M178 HydrophobicContact CG-SD 4.21Å
157K92.1Very high84.5Confident137 Ų13794.5 Ų94.560%0.59643%0.43SS*.Hα-helixtrans-65.8-45.8174.5-72.7177.1-178.7-177.90111.5L153 L154 L155 L159 K160 K161L153-K157 WeakPolarHBondContact O-CG 3.22Å; L153-K157 PolarHBondContact O-N 3.44Å; L154-K157 WeakPolarHBondContact O-CB 3.22Å; L154-K157 PolarHBondContact O-N 2.95Å; L155-K157 VanDerWaalsContact C-N 3.31Å; L155-K157 PolarHBondContact O-N 3.45Å; K157-L159 VanDerWaalsContact C-N 3.35Å; K157-L159 PolarHBondContact O-N 3.2Å; K157-K160 PolarHBondContact O-N 3.01Å; K157-K161 PolarHBondContact O-N 3.06Å; K157-K161 VanDerWaalsContact O-N 3.08Å
158K90.3Very high83.1Confident100 Ų10094.7 Ų94.744%0.43545%0.451SS..Hα-helixtrans-58.3-45.6175.9-72.2-177.7179.5-174.60111.1E89 L154 L155 K160 K161 H162E89-K158 IonicContact OE2-NZ 3.85Å; L154-K158 WeakPolarHBondContact O-CG 3.25Å; L154-K158 PolarHBondContact O-N 3.48Å; L155-K158 PolarHBondContact O-N 3.27Å; K158-K160 PolarHBondContact O-N 3.13Å; K158-K161 PolarHBondContact O-N 2.6Å; K158-H162 PolarHBondContact O-CD2 3.04Å; K158-H162 VanDerWaalsContact O-CD2 3.3Å; K158-H162 PolarHBondContact O-N 2.69Å
159L88.6Confident82.1Confident34 Ų3498.6 Ų98.618%0.17848%0.479CS..Hα-helixtrans-60.9-43.7177.5-175.666.4000112.6L155 K157 K161 H162 R163 R171 L174 M178L155-L159 WeakPolarHBondContact O-CB 3.39Å; L155-L159 PolarHBondContact O-N 3.01Å; K157-L159 VanDerWaalsContact C-N 3.35Å; K157-L159 PolarHBondContact O-N 3.2Å; L159-K161 VanDerWaalsContact C-N 3.32Å; L159-K161 PolarHBondContact O-N 3.36Å; L159-H162 PolarHBondContact O-N 3.41Å; L159-R163 PolarHBondContact O-N 3.05Å; L159-R171 HydrophobicContact CD1-CG 3.83Å; L159-L174 HydrophobicContact CB-CD1 4.34Å; L159-L174 HydrophobicContact CD1-CB 4.44Å; L159-L174 HydrophobicContact CD1-CD1 4.12Å; L159-M178 HydrophobicContact CD2-SD 4.15Å
160K86.8Confident81.3Confident169 Ų169100.8 Ų100.874%0.73548%0.483SS*.Hα-helixtrans-62.5-37.9175.9-75.1-179.5-178.7-174.10112.3R156 K157 K158R156-K160 WeakPolarHBondContact O-CG 3.3Å; R156-K160 PolarHBondContact O-N 2.78Å; R156-K160 VanDerWaalsContact O-N 3.09Å; K157-K160 PolarHBondContact O-N 3.01Å; K158-K160 PolarHBondContact O-N 3.13Å
161K84.1Confident80.6Confident174 Ų174102.7 Ų102.776%0.75749%0.491SS*.Hα-helixtrans-67.8-40.8178.1-169.4179.1179-177.30112.2K157 K158 L159 R163K157-K161 PolarHBondContact O-N 3.06Å; K157-K161 VanDerWaalsContact O-N 3.08Å; K158-K161 PolarHBondContact O-N 2.6Å; L159-K161 VanDerWaalsContact C-N 3.32Å; L159-K161 PolarHBondContact O-N 3.36Å; K161-R163 VanDerWaalsContact C-N 3.33Å; K161-R163 PolarHBondContact O-N 3.05Å
162H73.5Confident80.1Confident73 Ų73104.6 Ų104.634%0.33851%0.505SS..Hα-helixtrans-78.2-9.7-179.6-79.1-69.9000114.9K158 L159 R164 G165K158-H162 PolarHBondContact O-CD2 3.04Å; K158-H162 VanDerWaalsContact O-CD2 3.3Å; K158-H162 PolarHBondContact O-N 2.69Å; L159-H162 PolarHBondContact O-N 3.41Å; H162-R164 PolarHBondContact O-N 3.18Å; H162-G165 PolarHBondContact O-N 3.34Å
163R65.4Low79.7Confident212 Ų212106.9 Ų106.980%0.852%0.518SS*.THydrogen-bonded Turntrans-61.5-13.5174.1-163.5177.3179.9-167.21113.5L159 K161L159-R163 PolarHBondContact O-N 3.05Å; K161-R163 VanDerWaalsContact C-N 3.33Å; K161-R163 PolarHBondContact O-N 3.05Å
164R62.2Low79.4Confident246 Ų246104.6 Ų104.693%0.92851%0.505SS*.THydrogen-bonded Turntrans-99.5-3.1-178.1-84.4-178.7169.4177.4-3.9115.6H162H162-R164 PolarHBondContact O-N 3.18Å
165G56.3Low79.2Confident45 Ų45106.3 Ų106.346%0.46451%0.512SS..SBendtrans-166.6106.7179.700000112.5H162H162-G165 PolarHBondContact O-N 3.34Å
166E55.8Low79.1Confident197 Ų197110.9 Ų110.992%0.92153%0.529SS*.  trans39.9140.7161.1-62-174.9158.900122.8
167G60.7Low79.2Confident47 Ų47109.8 Ų109.849%0.48553%0.529SS..  trans120.688.9162.300000115.5S169 R170 R171G167-S169 VanDerWaalsContact C-N 3.34Å; G167-S169 PolarHBondContact O-N 3.49Å; G167-R170 PolarHBondContact O-N 2.87Å; G167-R171 PolarHBondContact O-N 2.68Å
168G69.1Low79.3Confident64 Ų64104.5 Ų104.566%0.6651%0.506SS*.Hα-helixtrans-58.7-38.7177.600000114.3R171 S172G168-R171 PolarHBondContact O-N 3.28Å; G168-S172 PolarHBondContact O-N 3.15Å; G168-S172 PolarHBondContact O-OG 2.94Å
169S74.9Confident79.5Confident86 Ų86105.8 Ų105.860%0.60151%0.514SS*.Hα-helixtrans-66.4-42179163.60000113.1G167 R171 S172 D173G167-S169 VanDerWaalsContact C-N 3.34Å; G167-S169 PolarHBondContact O-N 3.49Å; S169-R171 PolarHBondContact O-N 3.46Å; S169-S172 WeakPolarHBondContact CA-OG 3.18Å; S169-S172 PolarHBondContact O-N 3.07Å; S169-S172 PolarHBondContact O-OG 2.56Å; S169-D173 PolarHBondContact O-N 3.33Å; S169-D173 VanDerWaalsContact O-N 3.12Å
170R80.5Confident79.8Confident156 Ų156106.1 Ų106.159%0.58952%0.522SS*.Hα-helixtrans-65-30.4177.6-164.4172.7-170.8167.54.1112.3G167 L174G167-R170 PolarHBondContact O-N 2.87Å; R170-L174 WeakPolarHBondContact O-CG 3.36Å; R170-L174 PolarHBondContact O-N 3.43Å; R170-L174 VanDerWaalsContact O-N 3.17Å
171R83Confident80.2Confident141 Ų14199.4 Ų99.453%0.53249%0.493SS..Hα-helixtrans-72.6-41.1176.7-179.1169.7179.4-172.6-3.6112.3L159 G167 G168 S169 D173 L174 H175L159-R171 HydrophobicContact CD1-CG 3.83Å; G167-R171 PolarHBondContact O-N 2.68Å; G168-R171 PolarHBondContact O-N 3.28Å; S169-R171 PolarHBondContact O-N 3.46Å; R171-D173 VanDerWaalsContact C-N 3.29Å; R171-D173 PolarHBondContact O-N 2.83Å; R171-L174 PolarHBondContact O-N 3.05Å; R171-H175 PolarHBondContact O-CD2 3.37Å; R171-H175 PolarHBondContact O-N 2.97Å
172S85.4Confident80.8Confident66 Ų6696.1 Ų96.146%0.46248%0.482SS..Hα-helixtrans-62.2-38.8174.145.90000111.6G168 S169 H175 R176G168-S172 PolarHBondContact O-N 3.15Å; G168-S172 PolarHBondContact O-OG 2.94Å; S169-S172 WeakPolarHBondContact CA-OG 3.18Å; S169-S172 PolarHBondContact O-N 3.07Å; S169-S172 PolarHBondContact O-OG 2.56Å; S172-H175 PolarHBondContact O-N 3.04Å; S172-R176 PolarHBondContact O-N 3.21Å
173D88.4Confident81.9Confident58 Ų5895.3 Ų95.331%0.3148%0.48SS..Hα-helixtrans-65.3-43.7177.6-63.1-23.7000112S169 R171 H175 R176 Q177S169-D173 PolarHBondContact O-N 3.33Å; S169-D173 VanDerWaalsContact O-N 3.12Å; R171-D173 VanDerWaalsContact C-N 3.29Å; R171-D173 PolarHBondContact O-N 2.83Å; D173-H175 VanDerWaalsContact C-N 3.32Å; D173-H175 PolarHBondContact O-N 2.81Å; D173-R176 PolarHBondContact O-N 2.97Å; D173-Q177 WeakPolarHBondContact O-CG 3.49Å; D173-Q177 PolarHBondContact O-N 3.15Å
174L90.1Very high83.4Confident17 Ų1786.5 Ų86.59%0.08945%0.451CS..Hα-helixtrans-60.7-42174.3-72.8174.7000111.7L155 L159 R170 R171 R176 Q177 M178L155-L174 HydrophobicContact CD2-CD2 3.77Å; L159-L174 HydrophobicContact CB-CD1 4.34Å; L159-L174 HydrophobicContact CD1-CB 4.44Å; L159-L174 HydrophobicContact CD1-CD1 4.12Å; R170-L174 WeakPolarHBondContact O-CG 3.36Å; R170-L174 PolarHBondContact O-N 3.43Å; R170-L174 VanDerWaalsContact O-N 3.17Å; R171-L174 PolarHBondContact O-N 3.05Å; L174-R176 VanDerWaalsContact C-N 3.35Å; L174-Q177 PolarHBondContact O-N 2.91Å; L174-M178 WeakPolarHBondContact O-CB 3.44Å; L174-M178 WeakPolarHBondContact O-CG 3.41Å; L174-M178 PolarHBondContact O-N 3.14Å
175H90.6Very high85.1Confident81 Ų8176 Ų7638%0.37541%0.412SS..Hα-helixtrans-63-41.2175.2-84.2-149.2000111.8R171 S172 D173 M178 Q179R171-H175 PolarHBondContact O-CD2 3.37Å; R171-H175 PolarHBondContact O-N 2.97Å; S172-H175 PolarHBondContact O-N 3.04Å; D173-H175 VanDerWaalsContact C-N 3.32Å; D173-H175 PolarHBondContact O-N 2.81Å; H175-M178 PolarHBondContact O-N 3.08Å; H175-Q179 WeakPolarHBondContact O-CG 3.42Å; H175-Q179 PolarHBondContact O-N 3.39Å
176R91.6Very high87.1Confident104 Ų10478.2 Ų78.239%0.39241%0.413SS..Hα-helixtrans-62.7-45.2176.5-168.6175.877.4-157.95.6111.6S172 D173 L174 M178 Q179 A180 E235S172-R176 PolarHBondContact O-N 3.21Å; D173-R176 PolarHBondContact O-N 2.97Å; L174-R176 VanDerWaalsContact C-N 3.35Å; R176-M178 VanDerWaalsContact C-N 3.35Å; R176-M178 PolarHBondContact O-N 3.02Å; R176-Q179 PolarHBondContact O-N 2.94Å; R176-A180 PolarHBondContact O-N 3.14Å; R176-E235 IonicContact CZ-OE1 2.88Å; R176-E235 IonicContact CZ-OE2 3.64Å; R176-E235 IonicContact NE-OE1 2.8Å; R176-E235 PolarHBondContact NE-OE1 2.85Å; R176-E235 IonicContact NH1-OE1 3.64Å; R176-E235 IonicContact NH2-OE1 2.96Å; R176-E235 PolarHBondContact NH2-OE1 3.2Å; R176-E235 IonicContact NH2-OE2 2.86Å; R176-E235 PolarHBondContact NH2-OE2 3.04Å
177Q92.9Very high89.1Confident98 Ų9869.7 Ų69.746%0.45838%0.375SS..Hα-helixtrans-61.1-42.7174.6-70174.716.900111.6L155 D173 L174 Q179 A180 E181L155-Q177 HydrophobicContact CD1-CB 3.77Å; L155-Q177 HydrophobicContact CD2-CB 4.32Å; L155-Q177 VanDerWaalsContact CD2-OE1 3.23Å; D173-Q177 WeakPolarHBondContact O-CG 3.49Å; D173-Q177 PolarHBondContact O-N 3.15Å; L174-Q177 PolarHBondContact O-N 2.91Å; Q177-Q179 PolarHBondContact O-N 3.24Å; Q177-A180 PolarHBondContact O-N 2.71Å; Q177-E181 WeakPolarHBondContact O-CG 3.4Å; Q177-E181 PolarHBondContact O-N 3.46Å
178M94.6Very high90.8Very high26 Ų2668.5 Ų68.513%0.12836%0.36CS..Hα-helixtrans-62.5-41.5175.8-71.9177.255.800112.3L152 L155 R156 L159 L174 H175 R176 E181 M182L152-M178 HydrophobicContact CD1-CB 3.79Å; L152-M178 HydrophobicContact CD1-CE 4.03Å; L152-M178 HydrophobicContact CD1-CG 3.84Å; L155-M178 HydrophobicContact CB-CG 3.68Å; L155-M178 HydrophobicContact CB-SD 4.35Å; L155-M178 HydrophobicContact CD1-CG 3.91Å; L155-M178 HydrophobicContact CG-CG 4.43Å; R156-M178 HydrophobicContact CG-CE 3.53Å; R156-M178 HydrophobicContact CG-SD 4.21Å; L159-M178 HydrophobicContact CD2-SD 4.15Å; L174-M178 WeakPolarHBondContact O-CB 3.44Å; L174-M178 WeakPolarHBondContact O-CG 3.41Å; L174-M178 PolarHBondContact O-N 3.14Å; H175-M178 PolarHBondContact O-N 3.08Å; R176-M178 VanDerWaalsContact C-N 3.35Å; R176-M178 PolarHBondContact O-N 3.02Å; M178-E181 PolarHBondContact O-N 3.2Å; M178-M182 WeakPolarHBondContact O-CG 3.46Å; M178-M182 PolarHBondContact O-N 2.91Å
179Q94.4Very high92.2Very high128 Ų12870.1 Ų70.160%0.59835%0.351SS*.Hα-helixtrans-63.5-42.3174.9-75.6-179.9-20.700111.5H175 R176 Q177 E181 M182 L183H175-Q179 WeakPolarHBondContact O-CG 3.42Å; H175-Q179 PolarHBondContact O-N 3.39Å; R176-Q179 PolarHBondContact O-N 2.94Å; Q177-Q179 PolarHBondContact O-N 3.24Å; Q179-E181 PolarHBondContact O-N 2.99Å; Q179-M182 PolarHBondContact O-N 3.12Å; Q179-L183 WeakPolarHBondContact O-CG 3.41Å; Q179-L183 PolarHBondContact O-N 3.17Å
180A94.7Very high93.3Very high41 Ų4166.4 Ų66.434%0.33933%0.326SS..Hα-helixtrans-59.9-46.1176.100000111.7R176 Q177 M182 L183 S184 Q228R176-A180 PolarHBondContact O-N 3.14Å; Q177-A180 PolarHBondContact O-N 2.71Å; A180-M182 PolarHBondContact O-N 3.36Å; A180-L183 PolarHBondContact O-N 2.71Å; A180-S184 PolarHBondContact O-N 3.47Å; A180-S184 PolarHBondContact O-OG 2.92Å; A180-S184 VanDerWaalsContact O-OG 3.09Å; A180-Q228 PolarHBondContact O-NE2 3.04Å
181E96.4Very high94.2Very high28 Ų2859.5 Ų59.513%0.13130%0.3CS..Hα-helixtrans-66.3-36.6177.2-67-63169.400112.4R147 S148 V151 L155 Q177 M178 Q179 S184 I185R147-E181 IonicContact NH1-OE1 3.6Å; R147-E181 IonicContact NH2-OE1 3.77Å; R147-E181 PolarHBondContact NH2-OE1 3.28Å; R147-E181 IonicContact NH2-OE2 2.8Å; R147-E181 PolarHBondContact NH2-OE2 2.92Å; R147-E181 VanDerWaalsContact NH2-OE2 3.12Å; S148-E181 VanDerWaalsContact CA-OE2 3.24Å; S148-E181 WeakPolarHBondContact CA-OE2 3.45Å; S148-E181 WeakPolarHBondContact CB-OE2 3.39Å; S148-E181 PolarHBondContact OG-OE2 3.24Å; V151-E181 HydrophobicContact CB-CG 4.32Å; V151-E181 HydrophobicContact CG1-CG 3.86Å; L155-E181 HydrophobicContact CD1-CG 4.33Å; Q177-E181 WeakPolarHBondContact O-CG 3.4Å; Q177-E181 PolarHBondContact O-N 3.46Å; M178-E181 PolarHBondContact O-N 3.2Å; Q179-E181 PolarHBondContact O-N 2.99Å; E181-S184 PolarHBondContact O-N 3.22Å; E181-I185 VanDerWaalsContact O-CG1 3.3Å; E181-I185 WeakPolarHBondContact O-CG1 3.5Å; E181-I185 PolarHBondContact O-N 3.46Å
182M96.8Very high94.9Very high105 Ų10554.6 Ų54.652%0.51728%0.284SS..Hα-helixtrans-63.4-41.7173.4-76-177.56500112.3L152 M178 Q179 A180 I185 L186L152-M182 HydrophobicContact CD1-CG 4.31Å; L152-M182 HydrophobicContact CD2-CG 4.01Å; M178-M182 WeakPolarHBondContact O-CG 3.46Å; M178-M182 PolarHBondContact O-N 2.91Å; Q179-M182 PolarHBondContact O-N 3.12Å; A180-M182 PolarHBondContact O-N 3.36Å; M182-I185 PolarHBondContact O-N 2.87Å; M182-L186 PolarHBondContact O-N 3.12Å
183L96.5Very high95.5Very high56 Ų5653.2 Ų53.229%0.29327%0.274SS..Hα-helixtrans-64.1-41.4174.6-74.4176.5000111.4Q179 A180 I185 L186 S187 I224 Q228Q179-L183 WeakPolarHBondContact O-CG 3.41Å; Q179-L183 PolarHBondContact O-N 3.17Å; A180-L183 PolarHBondContact O-N 2.71Å; L183-I185 PolarHBondContact O-N 3.35Å; L183-L186 PolarHBondContact O-N 3.23Å; L183-S187 VanDerWaalsContact O-CB 3.32Å; L183-S187 WeakPolarHBondContact O-CB 3.27Å; L183-S187 PolarHBondContact O-N 2.96Å; L183-I224 HydrophobicContact CB-CG2 3.75Å; L183-I224 HydrophobicContact CD2-CG1 4.29Å; L183-I224 HydrophobicContact CD2-CG2 4.2Å; L183-I224 HydrophobicContact CG-CG2 4.43Å; L183-Q228 HydrophobicContact CD1-CG 4.49Å
184S96.5Very high95.9Very high27 Ų2750.4 Ų50.419%0.18926%0.26CS..Hα-helixtrans-61.2-41.9175.1-63.40000112.2A180 E181 S188 Q228A180-S184 PolarHBondContact O-N 3.47Å; A180-S184 PolarHBondContact O-OG 2.92Å; A180-S184 VanDerWaalsContact O-OG 3.09Å; E181-S184 PolarHBondContact O-N 3.22Å; S184-S188 VanDerWaalsContact O-CB 3.28Å; S184-S188 WeakPolarHBondContact O-CB 3.44Å; S184-S188 PolarHBondContact O-N 2.86Å; S184-S188 PolarHBondContact O-OG 2.88Å; S184-Q228 PolarHBondContact OG-NE2 3.45Å
185I97.9Very high96.3Very high24 Ų2449.6 Ų49.612%0.12326%0.255CS..Hα-helixtrans-60.8-51.1174.1-68.8164.9000110.3I145 F149 L152 E181 M182 L183 S187 S188 M189I145-I185 HydrophobicContact CG2-CG2 4.38Å; F149-I185 HydrophobicContact CB-CD1 4.34Å; L152-I185 HydrophobicContact CD2-CD1 4.27Å; E181-I185 VanDerWaalsContact O-CG1 3.3Å; E181-I185 WeakPolarHBondContact O-CG1 3.5Å; E181-I185 PolarHBondContact O-N 3.46Å; M182-I185 PolarHBondContact O-N 2.87Å; L183-I185 PolarHBondContact O-N 3.35Å; I185-S187 PolarHBondContact O-N 3.35Å; I185-S188 PolarHBondContact O-N 3.46Å; I185-M189 HydrophobicContact CG2-CG 4.25Å; I185-M189 HydrophobicContact CG2-SD 3.73Å; I185-M189 WeakPolarHBondContact O-CB 3.39Å; I185-M189 VanDerWaalsContact O-CG 3.26Å; I185-M189 WeakPolarHBondContact O-CG 3.41Å; I185-M189 PolarHBondContact O-N 3.01Å
186L97.9Very high96.6Very high93 Ų9346.1 Ų46.149%0.48724%0.24SC..Hα-helixtrans-61.7-44.1-177.6-178.261.2000112M182 L183 M189 A190 I224M182-L186 PolarHBondContact O-N 3.12Å; L183-L186 PolarHBondContact O-N 3.23Å; L186-M189 PolarHBondContact O-N 3.3Å; L186-A190 PolarHBondContact O-N 3.17Å; L186-I224 HydrophobicContact CB-CD1 4.16Å; L186-I224 HydrophobicContact CD2-CD1 3.85Å; L186-I224 HydrophobicContact CG-CD1 3.87Å
187S97.3Very high96.9Very high18 Ų1842.7 Ų42.713%0.12623%0.228CC..Hα-helixtrans-61.4-47.9176.7-172.80000111.5L183 I185 M189 A190 D191 S221L183-S187 VanDerWaalsContact O-CB 3.32Å; L183-S187 WeakPolarHBondContact O-CB 3.27Å; L183-S187 PolarHBondContact O-N 2.96Å; I185-S187 PolarHBondContact O-N 3.35Å; S187-M189 PolarHBondContact O-N 2.95Å; S187-A190 PolarHBondContact O-N 3.39Å; S187-D191 PolarHBondContact O-N 3.48Å; S187-S221 WeakPolarHBondContact OG-CA 3.36Å; S187-S221 VanDerWaalsContact OG-CB 3.25Å; S187-S221 WeakPolarHBondContact OG-CB 3.37Å; S187-S221 PolarHBondContact OG-O 2.71Å
188S97.8Very high97Very high22 Ų2243.2 Ų43.215%0.15423%0.226CC..Hα-helixtrans-67-35.8-179.5-55.20000112.2S184 I185 D191 L192S184-S188 VanDerWaalsContact O-CB 3.28Å; S184-S188 WeakPolarHBondContact O-CB 3.44Å; S184-S188 PolarHBondContact O-N 2.86Å; S184-S188 PolarHBondContact O-OG 2.88Å; I185-S188 PolarHBondContact O-N 3.46Å; S188-D191 PolarHBondContact O-N 3.44Å; S188-L192 VanDerWaalsContact O-CB 3.23Å; S188-L192 WeakPolarHBondContact O-CB 3.26Å; S188-L192 PolarHBondContact O-N 2.94Å
189M98.3Very high97Very high98 Ų9843.1 Ų43.148%0.48323%0.226SC..Hα-helixtrans-65.7-42.2174.3-75179.470.900111.9I145 I185 L186 S187 D191 L192 C193I145-M189 HydrophobicContact CD1-CB 4.48Å; I145-M189 HydrophobicContact CD1-CG 3.69Å; I145-M189 HydrophobicContact CG1-CG 4.23Å; I185-M189 HydrophobicContact CG2-CG 4.25Å; I185-M189 HydrophobicContact CG2-SD 3.73Å; I185-M189 WeakPolarHBondContact O-CB 3.39Å; I185-M189 VanDerWaalsContact O-CG 3.26Å; I185-M189 WeakPolarHBondContact O-CG 3.41Å; I185-M189 PolarHBondContact O-N 3.01Å; L186-M189 PolarHBondContact O-N 3.3Å; S187-M189 PolarHBondContact O-N 2.95Å; M189-D191 VanDerWaalsContact C-N 3.33Å; M189-D191 PolarHBondContact O-N 3.04Å; M189-L192 PolarHBondContact O-N 3.49Å; M189-C193 PolarHBondContact O-N 3.42Å; M189-C193 PolarHBondContact O-SG 3.3Å
190A98.1Very high96.9Very high8 Ų840 Ų407%0.06622%0.216CC..Hα-helixtrans-61.6-43.7176.800000111.3L186 S187 C193 N194 L217L186-A190 PolarHBondContact O-N 3.17Å; S187-A190 PolarHBondContact O-N 3.39Å; A190-C193 WeakPolarHBondContact O-CB 3.4Å; A190-C193 PolarHBondContact O-N 3.21Å; A190-N194 PolarHBondContact O-N 3.12Å; A190-L217 HydrophobicContact CB-CB 4.25Å; A190-L217 HydrophobicContact CB-CD2 4.14Å
191D98.2Very high96.7Very high10 Ų1044 Ų445%0.05324%0.238CC..Hα-helixtrans-67.3-37.6175.3-82.57.4000112.5R23 W137 L141 S187 S188 M189 C193 N194 A195 S221R23-D191 IonicContact CZ-OD1 3.91Å; R23-D191 IonicContact CZ-OD2 3.35Å; R23-D191 IonicContact NH1-OD2 3.12Å; R23-D191 PolarHBondContact NH1-OD2 3.04Å; R23-D191 IonicContact NH2-OD1 3.49Å; R23-D191 PolarHBondContact NH2-OD1 3.09Å; R23-D191 IonicContact NH2-OD2 3.91Å; R23-D191 PolarHBondContact NH2-OD2 3.37Å; W137-D191 HydrophobicContact CH2-CB 4.27Å; W137-D191 HydrophobicContact CZ2-CB 3.83Å; L141-D191 HydrophobicContact CD1-CB 3.84Å; L141-D191 HydrophobicContact CD2-CB 3.82Å; S187-D191 PolarHBondContact O-N 3.48Å; S188-D191 PolarHBondContact O-N 3.44Å; M189-D191 VanDerWaalsContact C-N 3.33Å; M189-D191 PolarHBondContact O-N 3.04Å; D191-C193 VanDerWaalsContact C-N 3.31Å; D191-C193 PolarHBondContact O-N 2.98Å; D191-N194 CarbonylContact O-C 3.58Å; D191-N194 WeakPolarHBondContact O-CB 3.24Å; D191-N194 PolarHBondContact O-N 3Å; D191-N194 VanDerWaalsContact O-N 3.11Å; D191-A195 PolarHBondContact O-N 3.27Å; D191-S221 WeakPolarHBondContact OD1-CB 3.29Å; D191-S221 PolarHBondContact OD1-OG 2.92Å
192L98.2Very high96.4Very high38 Ų3846.8 Ų46.820%0.19928%0.275CS..Hα-helixtrans-64.4-38.3177.2-177.862.7000111.3G138 L141 I145 S188 M189 N194 A195 V196G138-L192 WeakPolarHBondContact O-CD1 3.31Å; L141-L192 HydrophobicContact CB-CB 4.3Å; L141-L192 HydrophobicContact CB-CD1 4.25Å; L141-L192 HydrophobicContact CD1-CB 4.3Å; I145-L192 HydrophobicContact CD1-CD2 3.87Å; S188-L192 VanDerWaalsContact O-CB 3.23Å; S188-L192 WeakPolarHBondContact O-CB 3.26Å; S188-L192 PolarHBondContact O-N 2.94Å; M189-L192 PolarHBondContact O-N 3.49Å; L192-N194 VanDerWaalsContact C-N 3.28Å; L192-N194 PolarHBondContact O-N 3.49Å; L192-A195 WeakPolarHBondContact O-CB 3.32Å; L192-A195 PolarHBondContact O-N 3.1Å; L192-V196 WeakPolarHBondContact O-CG2 3.45Å; L192-V196 PolarHBondContact O-N 3.03Å
193C98Very high96.2Very high37 Ų3746.4 Ų46.425%0.2527%0.271CS..Hα-helixtrans-58.8-40.7173-72.90000112.1M189 A190 D191 H197 W205 F209 L217M189-C193 PolarHBondContact O-N 3.42Å; M189-C193 PolarHBondContact O-SG 3.3Å; A190-C193 WeakPolarHBondContact O-CB 3.4Å; A190-C193 PolarHBondContact O-N 3.21Å; D191-C193 VanDerWaalsContact C-N 3.31Å; D191-C193 PolarHBondContact O-N 2.98Å; C193-H197 PolarHBondContact O-N 3.12Å; C193-H197 VanDerWaalsContact O-N 3.14Å; C193-W205 HydrophobicContact CB-CZ2 4.48Å; C193-W205 PolarHBondContact O-NE1 3.05Å; C193-F209 HydrophobicContact CB-CE2 3.96Å; C193-F209 HydrophobicContact CB-CZ 4.31Å; C193-F209 WeakPolarHBondContact O-CE2 3.47Å; C193-L217 HydrophobicContact CB-CD1 3.67Å
194N97.8Very high96.2Very high0 Ų049.6 Ų49.60%029%0.288CS..Hα-helixtrans-69.9-40.7173.8-78.3-12.5000112.5A190 D191 L192 V196 H197 W198 V214 L217 G218A190-N194 PolarHBondContact O-N 3.12Å; D191-N194 CarbonylContact O-C 3.58Å; D191-N194 WeakPolarHBondContact O-CB 3.24Å; D191-N194 PolarHBondContact O-N 3Å; D191-N194 VanDerWaalsContact O-N 3.11Å; L192-N194 VanDerWaalsContact C-N 3.28Å; L192-N194 PolarHBondContact O-N 3.49Å; N194-V196 VanDerWaalsContact C-N 3.35Å; N194-V196 PolarHBondContact O-N 3.24Å; N194-H197 WeakPolarHBondContact O-CB 3.1Å; N194-H197 PolarHBondContact O-N 3.39Å; N194-H197 VanDerWaalsContact O-N 3.12Å; N194-W198 PolarHBondContact O-N 3.33Å; N194-W198 VanDerWaalsContact O-N 3.09Å; N194-V214 PolarHBondContact ND2-O 2.89Å; N194-V214 WeakPolarHBondContact OD1-CA 3.36Å; N194-L217 WeakPolarHBondContact OD1-CD1 3.33Å; N194-G218 PolarHBondContact ND2-N 2.76Å
195A97.4Very high96.2Very high0 Ų052.5 Ų52.50%029%0.294CS..Hα-helixtrans-57.6-47.317600000111.6T134 W137 L141 D191 L192 H197 W198 M199T134-A195 WeakPolarHBondContact CG2-O 3.29Å; W137-A195 HydrophobicContact CD2-CB 4.4Å; W137-A195 HydrophobicContact CE3-CB 3.55Å; W137-A195 HydrophobicContact CH2-CB 4.24Å; W137-A195 HydrophobicContact CZ3-CB 3.44Å; W137-A195 VanDerWaalsContact CZ3-CB 3.44Å; L141-A195 HydrophobicContact CD1-CB 4.23Å; D191-A195 PolarHBondContact O-N 3.27Å; L192-A195 WeakPolarHBondContact O-CB 3.32Å; L192-A195 PolarHBondContact O-N 3.1Å; A195-H197 VanDerWaalsContact C-N 3.31Å; A195-H197 PolarHBondContact O-N 3.47Å; A195-W198 PolarHBondContact O-N 3.5Å; A195-M199 WeakPolarHBondContact O-CG 3.39Å; A195-M199 PolarHBondContact O-N 3.25Å
196V97.4Very high96.1Very high8 Ų851.7 Ų51.75%0.04829%0.291CS..Hα-helixtrans-63.2-38.2175.9174.40000111.3L192 N194 W198 M199 F203 L204 W205 A206L192-V196 WeakPolarHBondContact O-CG2 3.45Å; L192-V196 PolarHBondContact O-N 3.03Å; N194-V196 VanDerWaalsContact C-N 3.35Å; N194-V196 PolarHBondContact O-N 3.24Å; V196-W198 VanDerWaalsContact C-N 3.25Å; V196-W198 PolarHBondContact O-N 3.06Å; V196-M199 WeakPolarHBondContact O-CB 3.48Å; V196-M199 PolarHBondContact O-N 3.45Å; V196-M199 VanDerWaalsContact O-N 3.16Å; V196-F203 HydrophobicContact CG1-CD1 4.05Å; V196-F203 HydrophobicContact CG1-CE1 4.09Å; V196-F203 HydrophobicContact CG2-CE1 4.27Å; V196-L204 HydrophobicContact CG1-CB 3.73Å; V196-L204 HydrophobicContact CG1-CD1 3.91Å; V196-L204 HydrophobicContact CG1-CG 4.41Å; V196-L204 HydrophobicContact CG2-CD1 4.36Å; V196-W205 HydrophobicContact CB-CD2 4.46Å; V196-W205 HydrophobicContact CB-CH2 4.48Å; V196-W205 HydrophobicContact CB-CZ2 3.63Å; V196-W205 HydrophobicContact CG1-CD2 3.71Å; V196-W205 HydrophobicContact CG1-CE3 4.28Å; V196-W205 HydrophobicContact CG1-CG 4.07Å; V196-W205 HydrophobicContact CG1-CH2 4.24Å; V196-W205 HydrophobicContact CG1-CZ2 3.66Å; V196-W205 HydrophobicContact CG2-CH2 4.36Å; V196-W205 HydrophobicContact CG2-CZ2 3.84Å; V196-A206 WeakPolarHBondContact O-CA 3.31Å
197H96.8Very high95.9Very high31 Ų3149.8 Ų49.814%0.14430%0.295CS..Hα-helixtrans-60.1-35.5175.9169.162.3000112.5C193 N194 A195 M199 G207 F209 V214C193-H197 PolarHBondContact O-N 3.12Å; C193-H197 VanDerWaalsContact O-N 3.14Å; N194-H197 WeakPolarHBondContact O-CB 3.1Å; N194-H197 PolarHBondContact O-N 3.39Å; N194-H197 VanDerWaalsContact O-N 3.12Å; A195-H197 VanDerWaalsContact C-N 3.31Å; A195-H197 PolarHBondContact O-N 3.47Å; H197-M199 VanDerWaalsContact C-N 3.3Å; H197-M199 PolarHBondContact O-N 3.07Å; H197-G207 PolarHBondContact ND1-N 3.27Å; H197-G207 PolarHBondContact O-N 2.78Å; H197-F209 HydrophobicContact CB-CB 4.4Å; H197-F209 HydrophobicContact CB-CD2 3.79Å; H197-F209 HydrophobicContact CB-CE2 4.35Å; H197-F209 HydrophobicContact CB-CG 4.18Å; H197-F209 PolarHBondContact CE1-O 2.8Å; H197-F209 VanDerWaalsContact CE1-O 3.24Å; H197-F209 PolarHBondContact ND1-N 3.47Å; H197-V214 VanDerWaalsContact CD2-CG2 3.42Å; H197-V214 WeakPolarHBondContact CD2-CG2 3.34Å
198W95.9Very high95.8Very high109 Ų10958.6 Ų58.641%0.41333%0.325SS..THydrogen-bonded Turntrans-82.3-1.6178.5-61.4-29.7000114.7Y27 T134 W137 N194 A195 V196 V214Y27-W198 WeakPolarHBondContact OH-CH2 3.49Å; T134-W198 HydrophobicContact CG2-CB 4.15Å; W137-W198 HydrophobicContact CE3-CE3 4.29Å; W137-W198 HydrophobicContact CE3-CZ3 4.15Å; W137-W198 HydrophobicContact CH2-CE3 4.29Å; W137-W198 HydrophobicContact CH2-CH2 4.3Å; W137-W198 AromaticContact CH2-CZ3 3.61Å; W137-W198 HydrophobicContact CH2-CZ3 3.61Å; W137-W198 AromaticContact CZ3-CE3 3.5Å; W137-W198 HydrophobicContact CZ3-CE3 3.5Å; W137-W198 HydrophobicContact CZ3-CH2 4.29Å; W137-W198 AromaticContact CZ3-CZ3 3.22Å; W137-W198 HydrophobicContact CZ3-CZ3 3.22Å; N194-W198 PolarHBondContact O-N 3.33Å; N194-W198 VanDerWaalsContact O-N 3.09Å; A195-W198 PolarHBondContact O-N 3.5Å; V196-W198 VanDerWaalsContact C-N 3.25Å; V196-W198 PolarHBondContact O-N 3.06Å; W198-V214 HydrophobicContact CZ2-CG1 4.19Å
199M94.8Very high95.7Very high25 Ų2559.6 Ų59.612%0.12333%0.327CS..SBendtrans-73.8167.6173.6-65.2-165.5-171.700112.1T134 A195 V196 H197 F203 A206T134-M199 HydrophobicContact CG2-CG 4.22Å; A195-M199 WeakPolarHBondContact O-CG 3.39Å; A195-M199 PolarHBondContact O-N 3.25Å; V196-M199 WeakPolarHBondContact O-CB 3.48Å; V196-M199 PolarHBondContact O-N 3.45Å; V196-M199 VanDerWaalsContact O-N 3.16Å; H197-M199 VanDerWaalsContact C-N 3.3Å; H197-M199 PolarHBondContact O-N 3.07Å; M199-F203 HydrophobicContact CB-CB 4.37Å; M199-F203 HydrophobicContact CB-CD1 3.95Å; M199-F203 HydrophobicContact CB-CG 4.44Å; M199-F203 HydrophobicContact CE-CE1 4.16Å; M199-F203 HydrophobicContact CG-CD1 4.17Å; M199-F203 HydrophobicContact SD-CD1 3.26Å; M199-F203 WeakPolarHBondContact SD-CD1 3.41Å; M199-F203 HydrophobicContact SD-CE1 3.15Å; M199-F203 WeakPolarHBondContact SD-CE1 3.46Å; M199-F203 HydrophobicContact SD-CG 4.06Å; M199-F203 HydrophobicContact SD-CZ 3.87Å; M199-A206 HydrophobicContact CB-CB 4.33Å; M199-A206 VanDerWaalsContact O-CB 3.27Å; M199-A206 WeakPolarHBondContact O-CB 3.36Å
200P92.8Very high95.6Very high62 Ų6257.2 Ų57.240%0.40332%0.318SS..PPolyproline II helixtrans-64.3148.7179.4-2335.6000112.5L131 G202 F203 A206L131-P200 VanDerWaalsContact CD1-CD 3.48Å; L131-P200 HydrophobicContact CD1-CG 3.67Å; L131-P200 HydrophobicContact CD2-CG 4.09Å; P200-G202 PolarHBondContact O-N 3.1Å; P200-F203 PolarHBondContact O-N 2.78Å; P200-A206 WeakPolarHBondContact O-CB 3.39Å
201P90.8Very high95.5Very high124 Ų12459.5 Ų59.581%0.80533%0.334SS*.THydrogen-bonded Turntrans-53.8139.6176.4-24.933.8000112.3
202G89.9Confident95.4Very high88 Ų8862.7 Ų62.791%0.90735%0.345SS*.THydrogen-bonded Turntrans99.1-12.6-175.700000114.1P200P200-G202 PolarHBondContact O-N 3.1Å
203F92.7Very high95.4Very high96 Ų9662.8 Ų62.842%0.42135%0.346SS..SBendtrans-93.7108.3170-172.6-95.6000111.2V196 M199 P200 W205 A206V196-F203 HydrophobicContact CG1-CD1 4.05Å; V196-F203 HydrophobicContact CG1-CE1 4.09Å; V196-F203 HydrophobicContact CG2-CE1 4.27Å; M199-F203 HydrophobicContact CB-CB 4.37Å; M199-F203 HydrophobicContact CB-CD1 3.95Å; M199-F203 HydrophobicContact CB-CG 4.44Å; M199-F203 HydrophobicContact CE-CE1 4.16Å; M199-F203 HydrophobicContact CG-CD1 4.17Å; M199-F203 HydrophobicContact SD-CD1 3.26Å; M199-F203 WeakPolarHBondContact SD-CD1 3.41Å; M199-F203 HydrophobicContact SD-CE1 3.15Å; M199-F203 WeakPolarHBondContact SD-CE1 3.46Å; M199-F203 HydrophobicContact SD-CG 4.06Å; M199-F203 HydrophobicContact SD-CZ 3.87Å; P200-F203 PolarHBondContact O-N 2.78Å; F203-W205 PolarHBondContact O-N 3.47Å; F203-W205 VanDerWaalsContact O-N 3.14Å; F203-A206 HydrophobicContact CB-CB 4.4Å; F203-A206 WeakPolarHBondContact O-CB 3.47Å; F203-A206 PolarHBondContact O-N 3.13Å
204L95.6Very high95.4Very high124 Ų12461 Ų6165%0.64933%0.334SS*.THydrogen-bonded Turntrans48.9-116.8178.2-59.4176.6000112.9V196V196-L204 HydrophobicContact CG1-CB 3.73Å; V196-L204 HydrophobicContact CG1-CD1 3.91Å; V196-L204 HydrophobicContact CG1-CG 4.41Å; V196-L204 HydrophobicContact CG2-CD1 4.36Å
205W96.4Very high95.4Very high87 Ų8761 Ų6133%0.3333%0.334SS..THydrogen-bonded Turntrans-103.921.8177.760.683.4000113.6C193 V196 F203 G207 R208 F209C193-W205 HydrophobicContact CB-CZ2 4.48Å; C193-W205 PolarHBondContact O-NE1 3.05Å; V196-W205 HydrophobicContact CB-CD2 4.46Å; V196-W205 HydrophobicContact CB-CH2 4.48Å; V196-W205 HydrophobicContact CB-CZ2 3.63Å; V196-W205 HydrophobicContact CG1-CD2 3.71Å; V196-W205 HydrophobicContact CG1-CE3 4.28Å; V196-W205 HydrophobicContact CG1-CG 4.07Å; V196-W205 HydrophobicContact CG1-CH2 4.24Å; V196-W205 HydrophobicContact CG1-CZ2 3.66Å; V196-W205 HydrophobicContact CG2-CH2 4.36Å; V196-W205 HydrophobicContact CG2-CZ2 3.84Å; F203-W205 PolarHBondContact O-N 3.47Å; F203-W205 VanDerWaalsContact O-N 3.14Å; W205-G207 PolarHBondContact O-N 3.17Å; W205-R208 HydrophobicContact CB-CB 4.3Å; W205-R208 HydrophobicContact CB-CG 4.38Å; W205-R208 VanDerWaalsContact O-CB 3.27Å; W205-R208 WeakPolarHBondContact O-CB 3.49Å; W205-R208 WeakPolarHBondContact O-CG 3.44Å; W205-R208 PolarHBondContact O-N 2.83Å; W205-F209 HydrophobicContact CB-CE1 4.42Å; W205-F209 AromaticContact CD1-CD1 3.99Å; W205-F209 AromaticContact CD1-CE1 3.39Å; W205-F209 AromaticContact CD1-CE2 3.89Å; W205-F209 AromaticContact CD1-CZ 3.33Å; W205-F209 AromaticContact CG-CE1 3.94Å; W205-F209 HydrophobicContact CG-CE1 3.94Å; W205-F209 HydrophobicContact CG-CZ 4.12Å; W205-F209 AromaticContact NE1-CE1 3.89Å; W205-F209 AromaticContact NE1-CE2 3.7Å; W205-F209 AromaticContact NE1-CZ 3.31Å; W205-F209 VanDerWaalsContact NE1-CZ 3.31Å
206A95.9Very high95.5Very high7 Ų764.3 Ų64.36%0.05835%0.351CS..THydrogen-bonded Turntrans-45.3129.7173.300000112.2V196 M199 P200 F203 R208V196-A206 WeakPolarHBondContact O-CA 3.31Å; M199-A206 HydrophobicContact CB-CB 4.33Å; M199-A206 VanDerWaalsContact O-CB 3.27Å; M199-A206 WeakPolarHBondContact O-CB 3.36Å; P200-A206 WeakPolarHBondContact O-CB 3.39Å; F203-A206 HydrophobicContact CB-CB 4.4Å; F203-A206 WeakPolarHBondContact O-CB 3.47Å; F203-A206 PolarHBondContact O-N 3.13Å; A206-R208 PolarHBondContact O-N 3.12Å; A206-R208 VanDerWaalsContact O-N 3.14Å
207G94.4Very high95.5Very high54 Ų5465.5 Ų65.556%0.55736%0.357SS*.THydrogen-bonded Turntrans68.61.7-179.600000116.2H197 W205H197-G207 PolarHBondContact ND1-N 3.27Å; H197-G207 PolarHBondContact O-N 2.78Å; W205-G207 PolarHBondContact O-N 3.17Å
208R95.4Very high95.5Very high203 Ų20364 Ų6477%0.76635%0.35SS*.  trans-88-19.5-174.8-60.2-63.1-173.2159.30.5115.1W205 A206W205-R208 HydrophobicContact CB-CB 4.3Å; W205-R208 HydrophobicContact CB-CG 4.38Å; W205-R208 VanDerWaalsContact O-CB 3.27Å; W205-R208 WeakPolarHBondContact O-CB 3.49Å; W205-R208 WeakPolarHBondContact O-CG 3.44Å; W205-R208 PolarHBondContact O-N 2.83Å; A206-R208 PolarHBondContact O-N 3.12Å; A206-R208 VanDerWaalsContact O-N 3.14Å
209F96Very high95.6Very high42 Ų4260 Ų6018%0.18434%0.338CS..SBendtrans-77.7132.2-177-69.3-5.1000111.6C193 H197 W205 L213 V214 L217C193-F209 HydrophobicContact CB-CE2 3.96Å; C193-F209 HydrophobicContact CB-CZ 4.31Å; C193-F209 WeakPolarHBondContact O-CE2 3.47Å; H197-F209 HydrophobicContact CB-CB 4.4Å; H197-F209 HydrophobicContact CB-CD2 3.79Å; H197-F209 HydrophobicContact CB-CE2 4.35Å; H197-F209 HydrophobicContact CB-CG 4.18Å; H197-F209 PolarHBondContact CE1-O 2.8Å; H197-F209 VanDerWaalsContact CE1-O 3.24Å; H197-F209 PolarHBondContact ND1-N 3.47Å; W205-F209 HydrophobicContact CB-CE1 4.42Å; W205-F209 AromaticContact CD1-CD1 3.99Å; W205-F209 AromaticContact CD1-CE1 3.39Å; W205-F209 AromaticContact CD1-CE2 3.89Å; W205-F209 AromaticContact CD1-CZ 3.33Å; W205-F209 AromaticContact CG-CE1 3.94Å; W205-F209 HydrophobicContact CG-CE1 3.94Å; W205-F209 HydrophobicContact CG-CZ 4.12Å; W205-F209 AromaticContact NE1-CE1 3.89Å; W205-F209 AromaticContact NE1-CE2 3.7Å; W205-F209 AromaticContact NE1-CZ 3.31Å; W205-F209 VanDerWaalsContact NE1-CZ 3.31Å; F209-L213 HydrophobicContact CB-CB 4.45Å; F209-L213 HydrophobicContact CB-CD2 4.18Å; F209-L213 HydrophobicContact CB-CG 4.45Å; F209-L213 HydrophobicContact CD1-CD2 3.6Å; F209-L213 HydrophobicContact CD2-CD2 4.14Å; F209-L213 HydrophobicContact CD2-CG 4.21Å; F209-L213 HydrophobicContact CE1-CD2 3.91Å; F209-L213 HydrophobicContact CE2-CD2 4.42Å; F209-L213 HydrophobicContact CG-CD2 3.72Å; F209-L213 HydrophobicContact CG-CG 4.17Å; F209-L213 HydrophobicContact CZ-CD2 4.31Å; F209-V214 HydrophobicContact CB-CG2 3.73Å; F209-V214 HydrophobicContact CD2-CG2 4.36Å; F209-L217 HydrophobicContact CD2-CD1 3.99Å; F209-L217 HydrophobicContact CE2-CD1 3.48Å; F209-L217 VanDerWaalsContact CE2-CD1 3.48Å; F209-L217 HydrophobicContact CZ-CD1 4.34Å
210P95.8Very high95.8Very high48 Ų4861.1 Ų61.131%0.31235%0.347SS..  trans-69.6155.6166.930.8-35.3000110.5W212 L213 V214P210-W212 HydrophobicContact CG-CD2 4.38Å; P210-W212 HydrophobicContact CG-CG 4.38Å; P210-W212 HydrophobicContact CG-CZ2 4.1Å; P210-W212 PolarHBondContact O-N 3.29Å; P210-W212 VanDerWaalsContact O-N 3.1Å; P210-L213 HydrophobicContact CG-CB 3.92Å; P210-L213 WeakPolarHBondContact O-CB 3.3Å; P210-L213 PolarHBondContact O-N 3.47Å; P210-V214 PolarHBondContact O-N 3.22Å
211S95.4Very high96Very high56 Ų5658.3 Ų58.339%0.39233%0.329SS..Hα-helixtrans-54.3-35.9-175.9-53.90000113.9L213 V214 G215S211-L213 VanDerWaalsContact C-N 3.32Å; S211-L213 PolarHBondContact O-N 3.47Å; S211-V214 PolarHBondContact O-N 3.04Å; S211-G215 PolarHBondContact O-N 3.5Å
212W96.9Very high96.3Very high77 Ų7752.6 Ų52.629%0.29229%0.292SS..Hα-helixtrans-66.1-34.7178.271.1-97.4000112.3L31 A35 P210 G215 L216L31-W212 HydrophobicContact CD1-CB 4.27Å; L31-W212 HydrophobicContact CD1-CE3 4.49Å; L31-W212 WeakPolarHBondContact CD1-O 3.38Å; A35-W212 HydrophobicContact CB-CB 4.27Å; P210-W212 HydrophobicContact CG-CD2 4.38Å; P210-W212 HydrophobicContact CG-CG 4.38Å; P210-W212 HydrophobicContact CG-CZ2 4.1Å; P210-W212 PolarHBondContact O-N 3.29Å; P210-W212 VanDerWaalsContact O-N 3.1Å; W212-G215 CarbonylContact O-C 3.58Å; W212-G215 PolarHBondContact O-N 3.29Å; W212-L216 HydrophobicContact CZ3-CD2 3.99Å; W212-L216 WeakPolarHBondContact O-CB 3.41Å; W212-L216 PolarHBondContact O-N 3.01Å
213L97.8Very high96.6Very high40 Ų4053.3 Ų53.321%0.20927%0.274CS..Hα-helixtrans-73.1-40.4-179.1178.658.4000110.3F209 P210 S211 G215 L216 L217F209-L213 HydrophobicContact CB-CB 4.45Å; F209-L213 HydrophobicContact CB-CD2 4.18Å; F209-L213 HydrophobicContact CB-CG 4.45Å; F209-L213 HydrophobicContact CD1-CD2 3.6Å; F209-L213 HydrophobicContact CD2-CD2 4.14Å; F209-L213 HydrophobicContact CD2-CG 4.21Å; F209-L213 HydrophobicContact CE1-CD2 3.91Å; F209-L213 HydrophobicContact CE2-CD2 4.42Å; F209-L213 HydrophobicContact CG-CD2 3.72Å; F209-L213 HydrophobicContact CG-CG 4.17Å; F209-L213 HydrophobicContact CZ-CD2 4.31Å; P210-L213 HydrophobicContact CG-CB 3.92Å; P210-L213 WeakPolarHBondContact O-CB 3.3Å; P210-L213 PolarHBondContact O-N 3.47Å; S211-L213 VanDerWaalsContact C-N 3.32Å; S211-L213 PolarHBondContact O-N 3.47Å; L213-G215 VanDerWaalsContact C-N 3.3Å; L213-G215 PolarHBondContact O-N 3.32Å; L213-L216 HydrophobicContact CD1-CD2 4.31Å; L213-L216 WeakPolarHBondContact O-CB 3.4Å; L213-L216 PolarHBondContact O-N 3.29Å; L213-L217 HydrophobicContact CD1-CD1 4.38Å; L213-L217 HydrophobicContact CD1-CG 4.33Å; L213-L217 HydrophobicContact CG-CD1 4.33Å; L213-L217 WeakPolarHBondContact O-CG 3.39Å; L213-L217 PolarHBondContact O-N 2.97Å
214V97.8Very high96.7Very high1 Ų149.2 Ų49.21%0.00626%0.257CS..Hα-helixtrans-58-46.8171.3-179.50000110.4N194 H197 W198 F209 P210 S211 L216 G218N194-V214 PolarHBondContact ND2-O 2.89Å; N194-V214 WeakPolarHBondContact OD1-CA 3.36Å; H197-V214 VanDerWaalsContact CD2-CG2 3.42Å; H197-V214 WeakPolarHBondContact CD2-CG2 3.34Å; W198-V214 HydrophobicContact CZ2-CG1 4.19Å; F209-V214 HydrophobicContact CB-CG2 3.73Å; F209-V214 HydrophobicContact CD2-CG2 4.36Å; P210-V214 PolarHBondContact O-N 3.22Å; S211-V214 PolarHBondContact O-N 3.04Å; V214-L216 PolarHBondContact O-N 2.84Å; V214-G218 PolarHBondContact O-N 2.98Å
215G97.9Very high96.5Very high0 Ų043.9 Ų43.90%023%0.231CC..Hα-helixtrans-61.7-39.1174.900000113.5Y27 S211 W212 L213 S219Y27-G215 WeakPolarHBondContact O-CA 3.41Å; S211-G215 PolarHBondContact O-N 3.5Å; W212-G215 CarbonylContact O-C 3.58Å; W212-G215 PolarHBondContact O-N 3.29Å; L213-G215 VanDerWaalsContact C-N 3.3Å; L213-G215 PolarHBondContact O-N 3.32Å; G215-S219 WeakPolarHBondContact O-CB 3.21Å; G215-S219 PolarHBondContact O-N 3.44Å; G215-S219 PolarHBondContact O-OG 2.86Å
216L98.4Very high96.3Very high69 Ų6941.1 Ų41.136%0.36122%0.223SC..Hα-helixtrans-62.2-54.7177.6178.862.1000110.6L31 W212 L213 V214 G218 S219 T220L31-L216 HydrophobicContact CD1-CB 3.92Å; L31-L216 HydrophobicContact CD1-CD1 4.48Å; L31-L216 HydrophobicContact CD2-CD1 4.24Å; W212-L216 HydrophobicContact CZ3-CD2 3.99Å; W212-L216 WeakPolarHBondContact O-CB 3.41Å; W212-L216 PolarHBondContact O-N 3.01Å; L213-L216 HydrophobicContact CD1-CD2 4.31Å; L213-L216 WeakPolarHBondContact O-CB 3.4Å; L213-L216 PolarHBondContact O-N 3.29Å; V214-L216 PolarHBondContact O-N 2.84Å; L216-G218 VanDerWaalsContact C-N 3.33Å; L216-G218 PolarHBondContact O-N 3.27Å; L216-S219 PolarHBondContact O-N 3.29Å; L216-S219 VanDerWaalsContact O-N 3.15Å; L216-T220 PolarHBondContact O-N 2.96Å; L216-T220 PolarHBondContact O-OG1 3.47Å; L216-T220 VanDerWaalsContact O-OG1 3.05Å
217L98.3Very high96Very high33 Ų3344.5 Ų44.517%0.17324%0.239CC..Hα-helixtrans-59.7-45.6-179-67.8169.5000111.1A190 C193 N194 F209 L213 S219 T220 S221A190-L217 HydrophobicContact CB-CB 4.25Å; A190-L217 HydrophobicContact CB-CD2 4.14Å; C193-L217 HydrophobicContact CB-CD1 3.67Å; N194-L217 WeakPolarHBondContact OD1-CD1 3.33Å; F209-L217 HydrophobicContact CD2-CD1 3.99Å; F209-L217 HydrophobicContact CE2-CD1 3.48Å; F209-L217 VanDerWaalsContact CE2-CD1 3.48Å; F209-L217 HydrophobicContact CZ-CD1 4.34Å; L213-L217 HydrophobicContact CD1-CD1 4.38Å; L213-L217 HydrophobicContact CD1-CG 4.33Å; L213-L217 HydrophobicContact CG-CD1 4.33Å; L213-L217 WeakPolarHBondContact O-CG 3.39Å; L213-L217 PolarHBondContact O-N 2.97Å; L217-S219 VanDerWaalsContact C-N 3.35Å; L217-S219 PolarHBondContact O-N 2.9Å; L217-T220 PolarHBondContact O-N 2.8Å; L217-S221 PolarHBondContact O-N 2.78Å; L217-S221 VanDerWaalsContact O-N 3.07Å; L217-S221 PolarHBondContact O-OG 3Å
218G97.8Very high95.8Very high0 Ų044.1 Ų44.10%022%0.223CC..Hα-helixtrans-65.9-34.8176.800000113.1Y27 N194 V214 L216 S221 S222Y27-G218 VanDerWaalsContact CG-CA 3.49Å; N194-G218 PolarHBondContact ND2-N 2.76Å; V214-G218 PolarHBondContact O-N 2.98Å; L216-G218 VanDerWaalsContact C-N 3.33Å; L216-G218 PolarHBondContact O-N 3.27Å; G218-S221 PolarHBondContact O-OG 2.73Å; G218-S221 VanDerWaalsContact O-OG 3.05Å; G218-S222 VanDerWaalsContact O-CB 3.3Å; G218-S222 WeakPolarHBondContact O-CB 3.47Å; G218-S222 PolarHBondContact O-N 3.44Å; G218-S222 PolarHBondContact O-OG 3.49Å
219S98.1Very high95.3Very high23 Ų2336.1 Ų36.116%0.16120%0.195CC..Hα-helixtrans-69.1-41.3175.3-63.10000111.3Y27 G28 G215 L216 L217 S222 L223Y27-S219 PolarHBondContact O-OG 3.32Å; G28-S219 PolarHBondContact N-OG 2.94Å; G215-S219 WeakPolarHBondContact O-CB 3.21Å; G215-S219 PolarHBondContact O-N 3.44Å; G215-S219 PolarHBondContact O-OG 2.86Å; L216-S219 PolarHBondContact O-N 3.29Å; L216-S219 VanDerWaalsContact O-N 3.15Å; L217-S219 VanDerWaalsContact C-N 3.35Å; L217-S219 PolarHBondContact O-N 2.9Å; S219-S222 PolarHBondContact O-N 3.29Å; S219-L223 WeakPolarHBondContact O-CB 3.31Å; S219-L223 PolarHBondContact O-N 3.49Å
220T97.6Very high94.6Very high50 Ų5038.4 Ų38.431%0.30721%0.209SC..Hα-helixtrans-59.2-51.9176.2-60.80000111.2L216 L217 S222 L223 I224L216-T220 PolarHBondContact O-N 2.96Å; L216-T220 PolarHBondContact O-OG1 3.47Å; L216-T220 VanDerWaalsContact O-OG1 3.05Å; L217-T220 PolarHBondContact O-N 2.8Å; T220-S222 VanDerWaalsContact C-N 3.31Å; T220-S222 PolarHBondContact O-N 3.08Å; T220-L223 PolarHBondContact O-N 3.34Å; T220-I224 HydrophobicContact CG2-CD1 3.99Å; T220-I224 VanDerWaalsContact O-CG1 3.29Å; T220-I224 WeakPolarHBondContact O-CG1 3.48Å; T220-I224 PolarHBondContact O-N 3.13Å
221S97.5Very high93.9Very high2 Ų239.1 Ų39.11%0.01421%0.212CC..Hα-helixtrans-64.1-35.9178.553.60000112.5R23 S187 D191 L217 G218 I224 G225R23-S221 PolarHBondContact NH2-OG 3.16Å; S187-S221 WeakPolarHBondContact OG-CA 3.36Å; S187-S221 VanDerWaalsContact OG-CB 3.25Å; S187-S221 WeakPolarHBondContact OG-CB 3.37Å; S187-S221 PolarHBondContact OG-O 2.71Å; D191-S221 WeakPolarHBondContact OD1-CB 3.29Å; D191-S221 PolarHBondContact OD1-OG 2.92Å; L217-S221 PolarHBondContact O-N 2.78Å; L217-S221 VanDerWaalsContact O-N 3.07Å; L217-S221 PolarHBondContact O-OG 3Å; G218-S221 PolarHBondContact O-OG 2.73Å; G218-S221 VanDerWaalsContact O-OG 3.05Å; S221-I224 PolarHBondContact O-N 3.01Å; S221-G225 PolarHBondContact O-N 3.49Å
222S96.6Very high92.8Very high5 Ų540 Ų404%0.03522%0.218CC..Hα-helixtrans-66.2-43.5176.7-54.90000112.7R23 G218 S219 T220 G225 L226R23-S222 VanDerWaalsContact CG-OG 3.29Å; R23-S222 WeakPolarHBondContact CG-OG 3.3Å; R23-S222 PolarHBondContact NE-OG 3.39Å; G218-S222 VanDerWaalsContact O-CB 3.3Å; G218-S222 WeakPolarHBondContact O-CB 3.47Å; G218-S222 PolarHBondContact O-N 3.44Å; G218-S222 PolarHBondContact O-OG 3.49Å; S219-S222 PolarHBondContact O-N 3.29Å; T220-S222 VanDerWaalsContact C-N 3.31Å; T220-S222 PolarHBondContact O-N 3.08Å; S222-G225 PolarHBondContact O-N 3.47Å; S222-L226 PolarHBondContact O-N 3.07Å
223L95.6Very high91.3Very high102 Ų10239 Ų3953%0.53422%0.224SC..Hα-helixtrans-64.6-43.8177.1-179.460000111.3S219 T220 G225 L226 I227S219-L223 WeakPolarHBondContact O-CB 3.31Å; S219-L223 PolarHBondContact O-N 3.49Å; T220-L223 PolarHBondContact O-N 3.34Å; L223-G225 VanDerWaalsContact C-N 3.29Å; L223-G225 PolarHBondContact O-N 3.14Å; L223-L226 PolarHBondContact O-N 3.38Å; L223-I227 HydrophobicContact CD1-CD1 4.44Å; L223-I227 HydrophobicContact CG-CD1 4.14Å; L223-I227 WeakPolarHBondContact O-CG1 3.34Å; L223-I227 PolarHBondContact O-N 3.09Å
224I95.4Very high89.6Confident11 Ų1141.1 Ų41.16%0.05624%0.241CC..Hα-helixtrans-57.8-45.7173.7-67.4167.7000110.3L183 L186 T220 S221 L226 I227 Q228L183-I224 HydrophobicContact CB-CG2 3.75Å; L183-I224 HydrophobicContact CD2-CG1 4.29Å; L183-I224 HydrophobicContact CD2-CG2 4.2Å; L183-I224 HydrophobicContact CG-CG2 4.43Å; L186-I224 HydrophobicContact CB-CD1 4.16Å; L186-I224 HydrophobicContact CD2-CD1 3.85Å; L186-I224 HydrophobicContact CG-CD1 3.87Å; T220-I224 HydrophobicContact CG2-CD1 3.99Å; T220-I224 VanDerWaalsContact O-CG1 3.29Å; T220-I224 WeakPolarHBondContact O-CG1 3.48Å; T220-I224 PolarHBondContact O-N 3.13Å; S221-I224 PolarHBondContact O-N 3.01Å; I224-L226 VanDerWaalsContact C-N 3.31Å; I224-L226 PolarHBondContact O-N 3.29Å; I224-I227 PolarHBondContact O-N 3.41Å; I224-Q228 HydrophobicContact CG2-CG 4.37Å; I224-Q228 WeakPolarHBondContact O-CG 3.46Å; I224-Q228 PolarHBondContact O-N 2.78Å
225G92.5Very high87.8Confident11 Ų1144.5 Ų44.511%0.11326%0.257CS..Hα-helixtrans-61.8-34.3178.100000113.8K20 S221 S222 L223 M229K20-G225 PolarHBondContact NZ-O 3.06Å; S221-G225 PolarHBondContact O-N 3.49Å; S222-G225 PolarHBondContact O-N 3.47Å; L223-G225 VanDerWaalsContact C-N 3.29Å; L223-G225 PolarHBondContact O-N 3.14Å; G225-M229 WeakPolarHBondContact O-CB 3.41Å; G225-M229 PolarHBondContact O-N 3.24Å; G225-M229 VanDerWaalsContact O-N 3.15Å
226L90.9Very high85.8Confident30 Ų3050.5 Ų50.516%0.15729%0.289CS..Hα-helixtrans-70.2-43.6173.3-76.1172.4000111.8K20 T24 S222 L223 I224 Q228 M229 N230K20-L226 HydrophobicContact CB-CD2 3.92Å; K20-L226 HydrophobicContact CD-CD2 4.37Å; T24-L226 HydrophobicContact CG2-CD1 4.21Å; T24-L226 WeakPolarHBondContact OG1-CD1 3.46Å; S222-L226 PolarHBondContact O-N 3.07Å; L223-L226 PolarHBondContact O-N 3.38Å; I224-L226 VanDerWaalsContact C-N 3.31Å; I224-L226 PolarHBondContact O-N 3.29Å; L226-Q228 PolarHBondContact O-N 3.08Å; L226-M229 PolarHBondContact O-N 3.32Å; L226-N230 PolarHBondContact O-N 2.98Å; L226-N230 PolarHBondContact O-ND2 3.3Å
227I90.1Very high83.7Confident78 Ų7851 Ų5140%0.430%0.298SS..Hα-helixtrans-58.2-50.7176.2-68.1165.6000109.9L223 I224 M229 N230 T231L223-I227 HydrophobicContact CD1-CD1 4.44Å; L223-I227 HydrophobicContact CG-CD1 4.14Å; L223-I227 WeakPolarHBondContact O-CG1 3.34Å; L223-I227 PolarHBondContact O-N 3.09Å; I224-I227 PolarHBondContact O-N 3.41Å; I227-M229 VanDerWaalsContact C-N 3.29Å; I227-M229 PolarHBondContact O-N 2.9Å; I227-N230 PolarHBondContact O-N 2.94Å; I227-T231 PolarHBondContact O-N 3.44Å; I227-T231 PolarHBondContact O-OG1 3.47Å; I227-T231 VanDerWaalsContact O-OG1 3.07Å
228Q89.6Confident81.3Confident45 Ų4551.1 Ų51.121%0.2131%0.307CS..Hα-helixtrans-61.7-34.8179.3-72.1178.4-35.900112.7A180 L183 S184 I224 L226 S232A180-Q228 PolarHBondContact O-NE2 3.04Å; L183-Q228 HydrophobicContact CD1-CG 4.49Å; S184-Q228 PolarHBondContact OG-NE2 3.45Å; I224-Q228 HydrophobicContact CG2-CG 4.37Å; I224-Q228 WeakPolarHBondContact O-CG 3.46Å; I224-Q228 PolarHBondContact O-N 2.78Å; L226-Q228 PolarHBondContact O-N 3.08Å; Q228-S232 WeakPolarHBondContact O-CB 3.47Å; Q228-S232 PolarHBondContact O-N 3.19Å; Q228-S232 VanDerWaalsContact O-N 3.1Å; Q228-S232 PolarHBondContact O-OG 3.31Å
229M85.6Confident79Confident35 Ų3554.7 Ų54.717%0.17233%0.332CS..Hα-helixtrans-65.5-47176-168.5167.4173.900111.8L11 K20 G225 L226 I227 T231 S232 S233L11-M229 HydrophobicContact CD1-CE 3.44Å; L11-M229 VanDerWaalsContact CD1-CE 3.44Å; L11-M229 HydrophobicContact CD1-SD 3.72Å; K20-M229 HydrophobicContact CD-CB 4.47Å; K20-M229 HydrophobicContact CD-SD 3.73Å; G225-M229 WeakPolarHBondContact O-CB 3.41Å; G225-M229 PolarHBondContact O-N 3.24Å; G225-M229 VanDerWaalsContact O-N 3.15Å; L226-M229 PolarHBondContact O-N 3.32Å; I227-M229 VanDerWaalsContact C-N 3.29Å; I227-M229 PolarHBondContact O-N 2.9Å; M229-T231 VanDerWaalsContact C-N 3.35Å; M229-T231 PolarHBondContact O-N 2.89Å; M229-S232 PolarHBondContact O-N 2.89Å; M229-S233 PolarHBondContact O-N 3.48Å; M229-S233 PolarHBondContact O-OG 3.48Å; M229-S233 VanDerWaalsContact O-OG 3.12Å
230N81.4Confident76.6Confident91 Ų9157.6 Ų57.649%0.48735%0.349SS..Hα-helixtrans-65.5-40.6-178.8-70.6-23.6000111.3L226 I227 S232 S233 S234L226-N230 PolarHBondContact O-N 2.98Å; L226-N230 PolarHBondContact O-ND2 3.3Å; I227-N230 PolarHBondContact O-N 2.94Å; N230-S232 VanDerWaalsContact C-N 3.35Å; N230-S232 PolarHBondContact O-N 3.42Å; N230-S233 PolarHBondContact O-N 3.39Å; N230-S234 PolarHBondContact O-N 3.29Å; N230-S234 PolarHBondContact O-OG 3.47Å; N230-S234 VanDerWaalsContact O-OG 3.12Å
231T80.2Confident74Confident62 Ų6257.7 Ų57.738%0.3836%0.355SS..Hα-helixtrans-60.1-44.6174.2-53.60000111.6I227 M229 S233 S234 E235I227-T231 PolarHBondContact O-N 3.44Å; I227-T231 PolarHBondContact O-OG1 3.47Å; I227-T231 VanDerWaalsContact O-OG1 3.07Å; M229-T231 VanDerWaalsContact C-N 3.35Å; M229-T231 PolarHBondContact O-N 2.89Å; T231-S233 PolarHBondContact O-N 3.17Å; T231-S234 PolarHBondContact O-N 2.91Å; T231-E235 WeakPolarHBondContact O-CG 3.36Å; T231-E235 PolarHBondContact O-N 3.25Å; T231-E235 VanDerWaalsContact O-N 3.13Å
232S72.5Confident71.5Confident74 Ų7463.4 Ų63.452%0.51738%0.384SS..Hα-helixtrans-64.2-41.3179.2-53.80000112.4Q228 M229 N230 E235 L236Q228-S232 WeakPolarHBondContact O-CB 3.47Å; Q228-S232 PolarHBondContact O-N 3.19Å; Q228-S232 VanDerWaalsContact O-N 3.1Å; Q228-S232 PolarHBondContact O-OG 3.31Å; M229-S232 PolarHBondContact O-N 2.89Å; N230-S232 VanDerWaalsContact C-N 3.35Å; N230-S232 PolarHBondContact O-N 3.42Å; S232-E235 PolarHBondContact O-N 3.17Å; S232-L236 PolarHBondContact O-N 3.19Å; S232-L236 VanDerWaalsContact O-N 3.12Å
233S66.1Low69Low58 Ų5866.8 Ų66.841%0.40641%0.408SS..Hα-helixtrans-65.5-37.2177.2-61.40000112.8M229 N230 T231 S237M229-S233 PolarHBondContact O-N 3.48Å; M229-S233 PolarHBondContact O-OG 3.48Å; M229-S233 VanDerWaalsContact O-OG 3.12Å; N230-S233 PolarHBondContact O-N 3.39Å; T231-S233 PolarHBondContact O-N 3.17Å; S233-S237 WeakPolarHBondContact O-CB 3.39Å; S233-S237 PolarHBondContact O-N 3.08Å; S233-S237 VanDerWaalsContact O-N 3.13Å; S233-S237 PolarHBondContact O-OG 3.46Å
234S61.6Low66.5Low83 Ų8366 Ų6658%0.5841%0.411SS*.Hα-helixtrans-66.2-37.2174.9-630000112.1N230 T231 S237 G238N230-S234 PolarHBondContact O-N 3.29Å; N230-S234 PolarHBondContact O-OG 3.47Å; N230-S234 VanDerWaalsContact O-OG 3.12Å; T231-S234 PolarHBondContact O-N 2.91Å; S234-S237 PolarHBondContact O-N 3.48Å; S234-G238 PolarHBondContact O-N 3.09Å
235E59.8Low64Low73 Ų7372.5 Ų72.534%0.34144%0.441SS..Hα-helixtrans-67.8-40.9177.4-71.7179.7-159.600112.7R176 T231 S232 G238 S239R176-E235 IonicContact CZ-OE1 2.88Å; R176-E235 IonicContact CZ-OE2 3.64Å; R176-E235 IonicContact NE-OE1 2.8Å; R176-E235 PolarHBondContact NE-OE1 2.85Å; R176-E235 IonicContact NH1-OE1 3.64Å; R176-E235 IonicContact NH2-OE1 2.96Å; R176-E235 PolarHBondContact NH2-OE1 3.2Å; R176-E235 IonicContact NH2-OE2 2.86Å; R176-E235 PolarHBondContact NH2-OE2 3.04Å; T231-E235 WeakPolarHBondContact O-CG 3.36Å; T231-E235 PolarHBondContact O-N 3.25Å; T231-E235 VanDerWaalsContact O-N 3.13Å; S232-E235 PolarHBondContact O-N 3.17Å; E235-G238 PolarHBondContact O-N 3.46Å; E235-S239 WeakPolarHBondContact O-CB 3.45Å; E235-S239 PolarHBondContact O-N 3.27Å; E235-S239 PolarHBondContact O-OG 3.02Å
236L56.3Low61.7Low126 Ų12677.1 Ų77.166%0.6647%0.472SS*.Hα-helixtrans-65-40.3175.8-169.371.7000111.7S232 T240S232-L236 PolarHBondContact O-N 3.19Å; S232-L236 VanDerWaalsContact O-N 3.12Å; L236-T240 PolarHBondContact O-N 3.3Å; L236-T240 VanDerWaalsContact O-N 3.1Å; L236-T240 PolarHBondContact O-OG1 3.23Å
237S54.8Low59.4Low80 Ų8078.9 Ų78.956%0.55950%0.497SS*.Hα-helixtrans-68-40.8178.7-55.70000112.1S233 S234 A241S233-S237 WeakPolarHBondContact O-CB 3.39Å; S233-S237 PolarHBondContact O-N 3.08Å; S233-S237 VanDerWaalsContact O-N 3.13Å; S233-S237 PolarHBondContact O-OG 3.46Å; S234-S237 PolarHBondContact O-N 3.48Å; S237-A241 PolarHBondContact O-N 3.36Å; S237-A241 VanDerWaalsContact O-N 3.14Å
238G48.3Very low57.2Low35 Ų3577.8 Ų77.836%0.36151%0.505SS..Hα-helixtrans-67.8-38.2175.900000113.3S234 E235 A241 L242S234-G238 PolarHBondContact O-N 3.09Å; E235-G238 PolarHBondContact O-N 3.46Å; G238-A241 PolarHBondContact O-N 3.41Å; G238-L242 PolarHBondContact O-N 3.4Å; G238-L242 VanDerWaalsContact O-N 3.09Å
239S49.1Very low54.9Low75 Ų7583.5 Ų83.552%0.52454%0.537SS..Hα-helixtrans-66.9-38.8177.6-56.20000112E235 L242 S243E235-S239 WeakPolarHBondContact O-CB 3.45Å; E235-S239 PolarHBondContact O-N 3.27Å; E235-S239 PolarHBondContact O-OG 3.02Å; S239-L242 PolarHBondContact O-N 2.72Å; S239-S243 PolarHBondContact O-N 3.41Å; S239-S243 VanDerWaalsContact O-N 3.08Å; S239-S243 PolarHBondContact O-OG 3.24Å
240T47.3Very low52.9Low83 Ų8385.9 Ų85.951%0.50956%0.563SS.*Hα-helixtrans-66.2-42.4176.3-500000111L236 L242 S243 S244L236-T240 PolarHBondContact O-N 3.3Å; L236-T240 VanDerWaalsContact O-N 3.1Å; L236-T240 PolarHBondContact O-OG1 3.23Å; T240-L242 PolarHBondContact O-N 3.12Å; T240-S243 PolarHBondContact O-N 3.46Å; T240-S243 PolarHBondContact O-OG 3.45Å; T240-S244 PolarHBondContact O-N 3.43Å; T240-S244 VanDerWaalsContact O-N 3.07Å; T240-S244 PolarHBondContact O-OG 3.26Å
241A43.9Very low50.9Low52 Ų5293.1 Ų93.143%0.4360%0.601SS.*Hα-helixtrans-64-38.4177.500000113.4S237 G238 S244 Q245S237-A241 PolarHBondContact O-N 3.36Å; S237-A241 VanDerWaalsContact O-N 3.14Å; G238-A241 PolarHBondContact O-N 3.41Å; A241-S244 WeakPolarHBondContact CA-OG 3.39Å; A241-S244 PolarHBondContact O-N 3.31Å; A241-S244 PolarHBondContact O-OG 3.48Å; A241-Q245 PolarHBondContact O-N 3.38Å
242L43.3Very low49.4Very low122 Ų12294.7 Ų94.764%0.63961%0.612SS**Hα-helixtrans-68.4-38.4175-78.4158.5000112.1G238 S239 T240 S244 Q245 S246G238-L242 PolarHBondContact O-N 3.4Å; G238-L242 VanDerWaalsContact O-N 3.09Å; S239-L242 PolarHBondContact O-N 2.72Å; T240-L242 PolarHBondContact O-N 3.12Å; L242-S244 VanDerWaalsContact C-N 3.34Å; L242-S244 PolarHBondContact O-N 3.24Å; L242-Q245 PolarHBondContact O-N 3.49Å; L242-S246 PolarHBondContact O-N 3.2Å
243S44.4Very low48.2Very low76 Ų7695.7 Ų95.753%0.53162%0.617SS.*Hα-helixtrans-66.8-33.2175.968.50000113.1S239 T240S239-S243 PolarHBondContact O-N 3.41Å; S239-S243 VanDerWaalsContact O-N 3.08Å; S239-S243 PolarHBondContact O-OG 3.24Å; T240-S243 PolarHBondContact O-N 3.46Å; T240-S243 PolarHBondContact O-OG 3.45Å
244S43.3Very low47.2Very low85 Ų8597.8 Ų97.859%0.59463%0.629SS**Hα-helixtrans-74-22.4175.252.10000114.2T240 A241 L242T240-S244 PolarHBondContact O-N 3.43Å; T240-S244 VanDerWaalsContact O-N 3.07Å; T240-S244 PolarHBondContact O-OG 3.26Å; A241-S244 WeakPolarHBondContact CA-OG 3.39Å; A241-S244 PolarHBondContact O-N 3.31Å; A241-S244 PolarHBondContact O-OG 3.48Å; L242-S244 VanDerWaalsContact C-N 3.34Å; L242-S244 PolarHBondContact O-N 3.24Å
245Q43.6Very low46.3Very low148 Ų14898.7 Ų98.769%0.69263%0.632SS**Hα-helixtrans-82.9-31.2173.8-81.1-179.6-9.500112.5A241 L242 G247A241-Q245 PolarHBondContact O-N 3.38Å; L242-Q245 PolarHBondContact O-N 3.49Å; Q245-G247 VanDerWaalsContact C-N 3.27Å; Q245-G247 PolarHBondContact O-N 3.04Å
246S44.5Very low45.5Very low109 Ų109100.3 Ų100.376%0.76265%0.65SS**THydrogen-bonded Turntrans-75.6-11.4178.5-173.80000114.3L242L242-S246 PolarHBondContact O-N 3.2Å
247G42.6Very low44.8Very low66 Ų6698.6 Ų98.668%0.6865%0.649SS**THydrogen-bonded Turntrans-96.14178.300000114.9Q245Q245-G247 VanDerWaalsContact C-N 3.27Å; Q245-G247 PolarHBondContact O-N 3.04Å
248G42.3Very low44.1Very low56 Ų5699.9 Ų99.958%0.57766%0.656SS**SBendtrans-94.1-15.3-173.400000116.4
249D42.1Very low43.7Very low164 Ų164104.9 Ų104.988%0.87768%0.679SS**SBendtrans-107.942.6-172.8-67.5-20.1000112.8
250A43.7Very low43.3Very low86 Ų86107.4 Ų107.471%0.71169%0.691SS**  trans-13875.816800000109.9
251N38.5Very low42.9Very low242 Ų242109.6 Ų109.6100%1.29471%0.708SS**  trans-152.70152.4-104.5-9.3000109.5

Retrieved 251 of 251 residues in 288.3 ms (Link to these results)

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