A0A096NBH2_PAPAN Loading...

Adenosine receptor A1

Receptor for adenosine. The activity of this receptor is mediated by G proteins which inhibit adenylyl cyclase.

AlphaFold DB , UniProt , Accession A0A096NBH2, Species PAPAN (Papio anubis, Olive baboon), Gene ADORA1, Length 326 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
1M35.6Very low76.5Confident230 Ų23098.5 Ų98.5100%1.13361%0.605SS**  01320-74172.4-171.400107.5
2P51.4Low77.9Confident118 Ų11891.6 Ų91.677%0.76656%0.56SS**  trans-57138.516726-31.2000107.9S4P2-S4 PolarHBondContact O-N 3.27Å
3P59.9Low79.2Confident109 Ų10987.4 Ų87.471%0.70853%0.531SS*.  trans-55.5129.1177.822.7-31.4000108.7I5P3-I5 PolarHBondContact O-N 3.2Å
4S75.9Confident80.4Confident116 Ų11684.1 Ų84.181%0.81152%0.524SS*.  trans-63.4107.117653.10000108.5P2 S6P2-S4 PolarHBondContact O-N 3.27Å; S4-S6 PolarHBondContact O-N 3.18Å
5I79.8Confident81.5Confident103 Ų10383.3 Ų83.353%0.52851%0.513SS..  trans-62.1123.5177.6-61.3175.8000108P3 Q9 A10P3-I5 PolarHBondContact O-N 3.2Å; I5-Q9 HydrophobicContact CG2-CB 3.91Å; I5-Q9 HydrophobicContact CG2-CG 4.06Å; I5-A10 HydrophobicContact CG2-CB 4.24Å
6S89.4Confident82.5Confident61 Ų6178.1 Ų78.143%0.42748%0.481SS..  trans-71.8154.3176.972.70000110.9S4 F8 Q9 A10S4-S6 PolarHBondContact O-N 3.18Å; S6-F8 PolarHBondContact O-N 3.23Å; S6-Q9 WeakPolarHBondContact O-CB 3.27Å; S6-Q9 PolarHBondContact O-N 3.49Å; S6-Q9 WeakPolarHBondContact OG-CB 3.47Å; S6-Q9 PolarHBondContact OG-N 3.26Å; S6-Q9 VanDerWaalsContact OG-N 3.16Å; S6-A10 PolarHBondContact O-N 2.88Å
7A90Very high83.4Confident89 Ų8977.1 Ų77.174%0.73648%0.475SS*.Hα-helixtrans-56.5-34.4175.300000112.4A10 A11A7-A10 PolarHBondContact O-N 3.46Å; A7-A11 WeakPolarHBondContact O-CB 3.28Å; A7-A11 PolarHBondContact O-N 2.98Å
8F87.8Confident84.2Confident109 Ų10978.9 Ų78.948%0.47848%0.481SS..Hα-helixtrans-65.1-42.4175-177.3-95000112.2S6 A11 Y12 Y271S6-F8 PolarHBondContact O-N 3.23Å; F8-A11 PolarHBondContact O-N 2.82Å; F8-Y12 PolarHBondContact O-N 3.31Å; F8-Y271 AromaticContact CE1-CD2 3.95Å; F8-Y271 HydrophobicContact CE1-CD2 3.95Å; F8-Y271 HydrophobicContact CE1-CE1 4.27Å; F8-Y271 AromaticContact CE1-CE2 3.48Å; F8-Y271 HydrophobicContact CE1-CE2 3.48Å; F8-Y271 VanDerWaalsContact CE1-CE2 3.48Å; F8-Y271 AromaticContact CE1-CZ 3.66Å; F8-Y271 AromaticContact CZ-CD2 3.52Å; F8-Y271 HydrophobicContact CZ-CD2 3.52Å; F8-Y271 AromaticContact CZ-CE2 3.55Å; F8-Y271 HydrophobicContact CZ-CE2 3.55Å; F8-Y271 HydrophobicContact CZ-CG 4.07Å
9Q87.6Confident84.9Confident43 Ų4375.9 Ų75.920%0.20146%0.461CS..Hα-helixtrans-67.3-40.3177.1-169.8172.913.800111.5I5 S6 A11 Y12 I13 N70I5-Q9 HydrophobicContact CG2-CB 3.91Å; I5-Q9 HydrophobicContact CG2-CG 4.06Å; S6-Q9 WeakPolarHBondContact O-CB 3.27Å; S6-Q9 PolarHBondContact O-N 3.49Å; S6-Q9 WeakPolarHBondContact OG-CB 3.47Å; S6-Q9 PolarHBondContact OG-N 3.26Å; S6-Q9 VanDerWaalsContact OG-N 3.16Å; Q9-A11 VanDerWaalsContact C-N 3.33Å; Q9-A11 PolarHBondContact O-N 3.05Å; Q9-Y12 PolarHBondContact O-N 3.46Å; Q9-I13 HydrophobicContact CG-CD1 4.19Å; Q9-I13 VanDerWaalsContact O-CG1 3.25Å; Q9-I13 WeakPolarHBondContact O-CG1 3.41Å; Q9-I13 PolarHBondContact O-N 3.4Å; Q9-N70 WeakPolarHBondContact CG-OD1 3.32Å; Q9-N70 PolarHBondContact NE2-O 3.15Å; Q9-N70 PolarHBondContact NE2-OD1 2.92Å
10A91.6Very high85.6Confident53 Ų5373 Ų7344%0.43845%0.445SS..Hα-helixtrans-61.1-41.3172.800000111.8I5 S6 A7 I13 G14I5-A10 HydrophobicContact CG2-CB 4.24Å; S6-A10 PolarHBondContact O-N 2.88Å; A7-A10 PolarHBondContact O-N 3.46Å; A10-I13 PolarHBondContact O-N 3.35Å; A10-G14 PolarHBondContact O-N 3.46Å
11A92.9Very high86.2Confident52 Ų5275 Ų7543%0.4345%0.452SS..Hα-helixtrans-64.2-43.6175.100000112.2A7 F8 Q9 G14 I15A7-A11 WeakPolarHBondContact O-CB 3.28Å; A7-A11 PolarHBondContact O-N 2.98Å; F8-A11 PolarHBondContact O-N 2.82Å; Q9-A11 VanDerWaalsContact C-N 3.33Å; Q9-A11 PolarHBondContact O-N 3.05Å; A11-G14 PolarHBondContact O-N 3.43Å; A11-I15 VanDerWaalsContact O-CG1 3.27Å; A11-I15 WeakPolarHBondContact O-CG1 3.4Å; A11-I15 PolarHBondContact O-N 3.27Å
12Y92.9Very high89.1Confident16 Ų1667 Ų676%0.06342%0.417CS..Hα-helixtrans-55.7-52.5173.9168.3-100.9000111.4F8 Q9 G14 I15 E16 N70 Y271 F275F8-Y12 PolarHBondContact O-N 3.31Å; Q9-Y12 PolarHBondContact O-N 3.46Å; Y12-G14 VanDerWaalsContact C-N 3.34Å; Y12-G14 PolarHBondContact O-N 2.89Å; Y12-I15 PolarHBondContact O-N 3.01Å; Y12-E16 HydrophobicContact CD2-CG 4.15Å; Y12-E16 HydrophobicContact CE1-CG 4.15Å; Y12-E16 HydrophobicContact CE2-CG 3.62Å; Y12-E16 VanDerWaalsContact CE2-OE1 3.28Å; Y12-E16 WeakPolarHBondContact CE2-OE1 3.33Å; Y12-E16 WeakPolarHBondContact O-CB 3.48Å; Y12-E16 VanDerWaalsContact O-CG 3.31Å; Y12-E16 WeakPolarHBondContact O-CG 3.47Å; Y12-E16 PolarHBondContact O-N 2.96Å; Y12-E16 PolarHBondContact OH-OE1 2.96Å; Y12-N70 HydrophobicContact CD1-CB 4.39Å; Y12-N70 HydrophobicContact CE1-CB 3.83Å; Y12-Y271 AromaticContact CD2-CD1 3.74Å; Y12-Y271 HydrophobicContact CD2-CD1 3.74Å; Y12-Y271 AromaticContact CD2-CE1 3.77Å; Y12-Y271 HydrophobicContact CD2-CE1 3.77Å; Y12-Y271 HydrophobicContact CE2-CD1 4.12Å; Y12-Y271 HydrophobicContact CE2-CE1 4.12Å; Y12-Y271 HydrophobicContact CG-CE1 4.37Å; Y12-F275 AromaticContact CD2-CE1 3.48Å; Y12-F275 HydrophobicContact CD2-CE1 3.48Å; Y12-F275 VanDerWaalsContact CD2-CE1 3.48Å; Y12-F275 AromaticContact CD2-CZ 3.62Å; Y12-F275 HydrophobicContact CD2-CZ 3.62Å; Y12-F275 AromaticContact CE2-CE1 3.75Å; Y12-F275 HydrophobicContact CE2-CE1 3.75Å; Y12-F275 HydrophobicContact CE2-CZ 4.32Å
13I94.2Very high91.3Very high37 Ų3761.4 Ų61.419%0.1938%0.38CS..Hα-helixtrans-60.3-45.7179-64.3165.1000110.5Q9 A10 I15 E16 V17 I67 I71Q9-I13 HydrophobicContact CG-CD1 4.19Å; Q9-I13 VanDerWaalsContact O-CG1 3.25Å; Q9-I13 WeakPolarHBondContact O-CG1 3.41Å; Q9-I13 PolarHBondContact O-N 3.4Å; A10-I13 PolarHBondContact O-N 3.35Å; I13-I15 PolarHBondContact O-N 3.29Å; I13-E16 PolarHBondContact O-N 3.47Å; I13-V17 HydrophobicContact CG2-CG2 4.17Å; I13-V17 WeakPolarHBondContact O-CB 3.5Å; I13-V17 VanDerWaalsContact O-CG2 3.24Å; I13-V17 WeakPolarHBondContact O-CG2 3.43Å; I13-V17 PolarHBondContact O-N 3.01Å; I13-I67 HydrophobicContact CG1-CG2 4.2Å; I13-I67 HydrophobicContact CG2-CG2 4.28Å; I13-I71 HydrophobicContact CD1-CG2 3.66Å
14G96.6Very high93.2Very high41 Ų4158.1 Ų58.142%0.42336%0.358SS..Hα-helixtrans-60.4-43.4179.700000113.1A10 A11 Y12 L18A10-G14 PolarHBondContact O-N 3.46Å; A11-G14 PolarHBondContact O-N 3.43Å; Y12-G14 VanDerWaalsContact C-N 3.34Å; Y12-G14 PolarHBondContact O-N 2.89Å; G14-L18 WeakPolarHBondContact O-CB 3.47Å; G14-L18 PolarHBondContact O-N 3.06Å
15I97Very high94.2Very high72 Ų7256.1 Ų56.137%0.36934%0.343SS..Hα-helixtrans-66.1-46.2177.3-67.7167000110.7A11 Y12 I13 L18 I19 F275A11-I15 VanDerWaalsContact O-CG1 3.27Å; A11-I15 WeakPolarHBondContact O-CG1 3.4Å; A11-I15 PolarHBondContact O-N 3.27Å; Y12-I15 PolarHBondContact O-N 3.01Å; I13-I15 PolarHBondContact O-N 3.29Å; I15-L18 WeakPolarHBondContact O-CB 3.23Å; I15-L18 PolarHBondContact O-N 3.12Å; I15-I19 HydrophobicContact CG2-CD1 3.94Å; I15-I19 VanDerWaalsContact O-CG1 3.31Å; I15-I19 WeakPolarHBondContact O-CG1 3.42Å; I15-I19 PolarHBondContact O-N 3.11Å; I15-F275 HydrophobicContact CB-CE1 4.11Å; I15-F275 HydrophobicContact CB-CZ 4.18Å; I15-F275 HydrophobicContact CD1-CE2 3.98Å; I15-F275 HydrophobicContact CD1-CZ 4.03Å; I15-F275 HydrophobicContact CG2-CD1 3.74Å; I15-F275 HydrophobicContact CG2-CD2 4.27Å; I15-F275 HydrophobicContact CG2-CE1 3.78Å; I15-F275 HydrophobicContact CG2-CE2 4.31Å; I15-F275 HydrophobicContact CG2-CG 4Å; I15-F275 HydrophobicContact CG2-CZ 4.06Å
16E97.1Very high95Very high0 Ų052 Ų520%033%0.325CS..Hα-helixtrans-61-46178-73.8-73.3-163.300112Y12 I13 L18 I19 A20 I63 I67 F275 H278Y12-E16 HydrophobicContact CD2-CG 4.15Å; Y12-E16 HydrophobicContact CE1-CG 4.15Å; Y12-E16 HydrophobicContact CE2-CG 3.62Å; Y12-E16 VanDerWaalsContact CE2-OE1 3.28Å; Y12-E16 WeakPolarHBondContact CE2-OE1 3.33Å; Y12-E16 WeakPolarHBondContact O-CB 3.48Å; Y12-E16 VanDerWaalsContact O-CG 3.31Å; Y12-E16 WeakPolarHBondContact O-CG 3.47Å; Y12-E16 PolarHBondContact O-N 2.96Å; Y12-E16 PolarHBondContact OH-OE1 2.96Å; I13-E16 PolarHBondContact O-N 3.47Å; E16-L18 VanDerWaalsContact C-N 3.32Å; E16-L18 PolarHBondContact O-N 3.24Å; E16-I19 WeakPolarHBondContact O-CB 3.34Å; E16-I19 PolarHBondContact O-N 3.25Å; E16-A20 PolarHBondContact O-N 3.46Å; E16-I63 HydrophobicContact CB-CG2 3.79Å; E16-I67 HydrophobicContact CB-CD1 3.88Å; E16-I67 HydrophobicContact CB-CG1 4.06Å; E16-F275 HydrophobicContact CG-CD1 4.48Å; E16-F275 HydrophobicContact CG-CE1 4.04Å; E16-H278 IonicContact OE1-CE1 2.69Å; E16-H278 PolarHBondContact OE1-CE1 3.2Å; E16-H278 VanDerWaalsContact OE1-CE1 3.3Å; E16-H278 IonicContact OE1-ND1 2.72Å; E16-H278 PolarHBondContact OE1-ND1 3.5Å; E16-H278 IonicContact OE2-CE1 3.46Å; E16-H278 IonicContact OE2-CG 3.75Å; E16-H278 IonicContact OE2-ND1 3.97Å; E16-H278 PolarHBondContact OE2-ND1 3.44Å
17V97.7Very high95.4Very high62 Ų6249.1 Ų49.138%0.37631%0.305SS..Hα-helixtrans-61.1-42.9175.8169.30000110.6I13 I19 A20 L21 I67I13-V17 HydrophobicContact CG2-CG2 4.17Å; I13-V17 WeakPolarHBondContact O-CB 3.5Å; I13-V17 VanDerWaalsContact O-CG2 3.24Å; I13-V17 WeakPolarHBondContact O-CG2 3.43Å; I13-V17 PolarHBondContact O-N 3.01Å; V17-I19 VanDerWaalsContact C-N 3.34Å; V17-I19 PolarHBondContact O-N 2.88Å; V17-A20 PolarHBondContact O-N 2.83Å; V17-L21 HydrophobicContact CG1-CD1 3.8Å; V17-L21 HydrophobicContact CG1-CG 4.19Å; V17-L21 WeakPolarHBondContact O-CB 3.48Å; V17-L21 VanDerWaalsContact O-CG 3.25Å; V17-L21 WeakPolarHBondContact O-CG 3.07Å; V17-L21 PolarHBondContact O-N 3.46Å; V17-I67 HydrophobicContact CG2-CD1 3.83Å
18L98.1Very high95.8Very high110 Ų11048.2 Ų48.258%0.57629%0.29SS*.Hα-helixtrans-60.7-43.7175.9-177.865.1000111.5G14 I15 E16 A20 L21 V22G14-L18 WeakPolarHBondContact O-CB 3.47Å; G14-L18 PolarHBondContact O-N 3.06Å; I15-L18 WeakPolarHBondContact O-CB 3.23Å; I15-L18 PolarHBondContact O-N 3.12Å; E16-L18 VanDerWaalsContact C-N 3.32Å; E16-L18 PolarHBondContact O-N 3.24Å; L18-A20 PolarHBondContact O-N 2.95Å; L18-L21 PolarHBondContact O-N 3.34Å; L18-V22 WeakPolarHBondContact O-CG2 3.24Å; L18-V22 PolarHBondContact O-N 3.29Å; L18-V22 VanDerWaalsContact O-N 3.07Å
19I98Very high96.3Very high22 Ų2245 Ų4511%0.11328%0.278CS..Hα-helixtrans-60.1-46.7175.7-68.8166000110.5I15 E16 V17 L21 V22 S23 I63 F275 H278I15-I19 HydrophobicContact CG2-CD1 3.94Å; I15-I19 VanDerWaalsContact O-CG1 3.31Å; I15-I19 WeakPolarHBondContact O-CG1 3.42Å; I15-I19 PolarHBondContact O-N 3.11Å; E16-I19 WeakPolarHBondContact O-CB 3.34Å; E16-I19 PolarHBondContact O-N 3.25Å; V17-I19 VanDerWaalsContact C-N 3.34Å; V17-I19 PolarHBondContact O-N 2.88Å; I19-L21 PolarHBondContact O-N 3.21Å; I19-V22 PolarHBondContact O-N 3.5Å; I19-S23 VanDerWaalsContact O-CB 3.23Å; I19-S23 WeakPolarHBondContact O-CB 3.47Å; I19-S23 PolarHBondContact O-N 2.99Å; I19-I63 HydrophobicContact CB-CD1 4.23Å; I19-I63 HydrophobicContact CG2-CD1 3.68Å; I19-F275 HydrophobicContact CD1-CB 4.39Å; I19-F275 HydrophobicContact CD1-CD1 4.39Å; I19-H278 HydrophobicContact CD1-CB 4.41Å; I19-H278 HydrophobicContact CG2-CB 4.1Å
20A97.9Very high96.7Very high17 Ų1743 Ų4314%0.1427%0.268CS..Hα-helixtrans-61.3-43.4177.900000112.2E16 V17 L18 V22 S23 V24 I63E16-A20 PolarHBondContact O-N 3.46Å; V17-A20 PolarHBondContact O-N 2.83Å; L18-A20 PolarHBondContact O-N 2.95Å; A20-V22 VanDerWaalsContact C-N 3.26Å; A20-V22 PolarHBondContact O-N 3.36Å; A20-S23 PolarHBondContact O-N 2.84Å; A20-V24 PolarHBondContact O-N 3.3Å; A20-I63 HydrophobicContact CB-CB 4.37Å; A20-I63 HydrophobicContact CB-CD1 4.02Å; A20-I63 HydrophobicContact CB-CG2 4.07Å
21L97.8Very high97Very high114 Ų11442.8 Ų42.860%0.59726%0.259SS*.Hα-helixtrans-65.2-26178.6-74.9175.1000113.4V17 L18 I19 P25V17-L21 HydrophobicContact CG1-CD1 3.8Å; V17-L21 HydrophobicContact CG1-CG 4.19Å; V17-L21 WeakPolarHBondContact O-CB 3.48Å; V17-L21 VanDerWaalsContact O-CG 3.25Å; V17-L21 WeakPolarHBondContact O-CG 3.07Å; V17-L21 PolarHBondContact O-N 3.46Å; L18-L21 PolarHBondContact O-N 3.34Å; I19-L21 PolarHBondContact O-N 3.21Å; L21-P25 WeakPolarHBondContact O-CD 3.16Å; L21-P25 WeakPolarHBondContact O-CG 3.31Å
22V97.8Very high97.1Very high64 Ų6444.1 Ų44.139%0.38825%0.253SS..Hα-helixtrans-86.3-42.1171.8-179.80000110.9L18 I19 A20 G26 A282 I286L18-V22 WeakPolarHBondContact O-CG2 3.24Å; L18-V22 PolarHBondContact O-N 3.29Å; L18-V22 VanDerWaalsContact O-N 3.07Å; I19-V22 PolarHBondContact O-N 3.5Å; A20-V22 VanDerWaalsContact C-N 3.26Å; A20-V22 PolarHBondContact O-N 3.36Å; V22-G26 PolarHBondContact O-N 3.31Å; V22-A282 HydrophobicContact CB-CB 4.15Å; V22-A282 HydrophobicContact CG1-CB 3.81Å; V22-I286 HydrophobicContact CG1-CD1 4.46Å
23S97.7Very high97.2Very high0 Ų043.3 Ų43.30%025%0.25CS..Hα-helixtrans-64.1-52.4-174.9-177.80000112.8I19 A20 N27 D55 S281I19-S23 VanDerWaalsContact O-CB 3.23Å; I19-S23 WeakPolarHBondContact O-CB 3.47Å; I19-S23 PolarHBondContact O-N 2.99Å; A20-S23 PolarHBondContact O-N 2.84Å; S23-N27 WeakPolarHBondContact O-CB 3.3Å; S23-N27 PolarHBondContact O-N 3.29Å; S23-N27 PolarHBondContact O-ND2 2.88Å; S23-D55 PolarHBondContact OG-O 3.12Å; S23-S281 WeakPolarHBondContact OG-CB 3.45Å
24V98.4Very high97.2Very high40 Ų4042.3 Ų42.324%0.24225%0.246CC..Hα-helixtrans-64.9-54.2-172.5176.50000111.4A20 G26 N27 V28 A60A20-V24 PolarHBondContact O-N 3.3Å; V24-G26 VanDerWaalsContact C-N 3.33Å; V24-G26 PolarHBondContact O-N 3.47Å; V24-N27 PolarHBondContact O-N 3.48Å; V24-V28 HydrophobicContact CG1-CG2 4.27Å; V24-V28 WeakPolarHBondContact O-CB 3.41Å; V24-V28 VanDerWaalsContact O-CG2 3.24Å; V24-V28 WeakPolarHBondContact O-CG2 3.37Å; V24-V28 PolarHBondContact O-N 2.99Å; V24-A60 HydrophobicContact CG2-CB 4.16Å
25P97.8Very high97.1Very high74 Ų7448.1 Ų48.148%0.48126%0.259SS..Hα-helixtrans-63.8-39.1-179.2-22.236.5000112.3L21 V28 L29L21-P25 WeakPolarHBondContact O-CD 3.16Å; L21-P25 WeakPolarHBondContact O-CG 3.31Å; P25-V28 PolarHBondContact O-N 3.42Å; P25-L29 VanDerWaalsContact O-CB 3.3Å; P25-L29 WeakPolarHBondContact O-CB 3.42Å; P25-L29 PolarHBondContact O-N 2.85Å
26G97.4Very high96.9Very high16 Ų1648.5 Ų48.517%0.16527%0.265CS..Hα-helixtrans-60.4-47.917900000112.4V22 V24 L29 V30 P285V22-G26 PolarHBondContact O-N 3.31Å; V24-G26 VanDerWaalsContact C-N 3.33Å; V24-G26 PolarHBondContact O-N 3.47Å; G26-L29 WeakPolarHBondContact O-CB 3.41Å; G26-L29 PolarHBondContact O-N 3Å; G26-V30 WeakPolarHBondContact O-CG2 3.22Å; G26-V30 PolarHBondContact O-N 3.44Å; G26-P285 WeakPolarHBondContact O-CG 3.18Å
27N98.1Very high96.7Very high1 Ų150.4 Ų50.41%0.00528%0.275CS..Hα-helixtrans-75.9-32.8-179.1-72.6-67.5000112.8S23 V24 L29 V30 I31 A52 D55 V56 S281 P285S23-N27 WeakPolarHBondContact O-CB 3.3Å; S23-N27 PolarHBondContact O-N 3.29Å; S23-N27 PolarHBondContact O-ND2 2.88Å; V24-N27 PolarHBondContact O-N 3.48Å; N27-L29 VanDerWaalsContact C-N 3.27Å; N27-L29 PolarHBondContact O-N 2.88Å; N27-V30 WeakPolarHBondContact O-CB 3.28Å; N27-V30 PolarHBondContact O-N 3.5Å; N27-I31 WeakPolarHBondContact O-CG1 3.43Å; N27-I31 PolarHBondContact O-N 3.32Å; N27-A52 HydrophobicContact CB-CB 4.11Å; N27-D55 HydrophobicContact CB-CB 4.44Å; N27-D55 WeakPolarHBondContact ND2-CB 3.31Å; N27-V56 HydrophobicContact CB-CG2 3.53Å; N27-S281 PolarHBondContact ND2-O 3.02Å; N27-P285 HydrophobicContact CB-CG 4.39Å; N27-P285 WeakPolarHBondContact OD1-CG 3.29Å
28V98.1Very high96.2Very high69 Ų6954.5 Ų54.542%0.41829%0.29SS..Hα-helixtrans-59.1-41.7168.4169.50000110.5V24 P25 V30 I31 W32 V56V24-V28 HydrophobicContact CG1-CG2 4.27Å; V24-V28 WeakPolarHBondContact O-CB 3.41Å; V24-V28 VanDerWaalsContact O-CG2 3.24Å; V24-V28 WeakPolarHBondContact O-CG2 3.37Å; V24-V28 PolarHBondContact O-N 2.99Å; P25-V28 PolarHBondContact O-N 3.42Å; V28-V30 PolarHBondContact O-N 3.26Å; V28-I31 PolarHBondContact O-N 3.27Å; V28-W32 WeakPolarHBondContact O-CB 3.33Å; V28-W32 PolarHBondContact O-N 3.46Å; V28-V56 HydrophobicContact CG2-CG2 3.98Å
29L96.8Very high95.6Very high42 Ų4251.9 Ų51.922%0.2228%0.284CS..Hα-helixtrans-65.3-37.1176.7-169.667.3000112.2P25 G26 N27 W32 A33 F299 I302P25-L29 VanDerWaalsContact O-CB 3.3Å; P25-L29 WeakPolarHBondContact O-CB 3.42Å; P25-L29 PolarHBondContact O-N 2.85Å; G26-L29 WeakPolarHBondContact O-CB 3.41Å; G26-L29 PolarHBondContact O-N 3Å; N27-L29 VanDerWaalsContact C-N 3.27Å; N27-L29 PolarHBondContact O-N 2.88Å; L29-W32 PolarHBondContact O-N 2.83Å; L29-A33 VanDerWaalsContact O-CB 3.29Å; L29-A33 WeakPolarHBondContact O-CB 3.34Å; L29-A33 PolarHBondContact O-N 2.98Å; L29-F299 HydrophobicContact CB-CE1 4.44Å; L29-F299 HydrophobicContact CD1-CD1 4.34Å; L29-F299 HydrophobicContact CD2-CB 4.01Å; L29-F299 HydrophobicContact CD2-CD1 3.67Å; L29-F299 HydrophobicContact CD2-CD2 4.27Å; L29-F299 HydrophobicContact CD2-CE1 4.13Å; L29-F299 HydrophobicContact CD2-CG 3.74Å; L29-F299 HydrophobicContact CG-CD1 3.54Å; L29-F299 HydrophobicContact CG-CE1 3.78Å; L29-F299 HydrophobicContact CG-CG 4.16Å; L29-I302 HydrophobicContact CD1-CB 4.01Å; L29-I302 HydrophobicContact CD1-CD1 3.91Å; L29-I302 HydrophobicContact CD1-CG2 3.56Å
30V96.6Very high94.9Very high0 Ų050.8 Ų50.80%028%0.279CS..Hα-helixtrans-59.1-49.2171.8171.40000110.8G26 N27 V28 W32 A33 V34 I48 A52 P285 Y288 F295 F299G26-V30 WeakPolarHBondContact O-CG2 3.22Å; G26-V30 PolarHBondContact O-N 3.44Å; N27-V30 WeakPolarHBondContact O-CB 3.28Å; N27-V30 PolarHBondContact O-N 3.5Å; V28-V30 PolarHBondContact O-N 3.26Å; V30-W32 PolarHBondContact O-N 3.39Å; V30-A33 PolarHBondContact O-N 3.49Å; V30-V34 WeakPolarHBondContact O-CG2 3.31Å; V30-V34 PolarHBondContact O-N 3.4Å; V30-V34 VanDerWaalsContact O-N 3.15Å; V30-I48 HydrophobicContact CG1-CG2 3.75Å; V30-A52 HydrophobicContact CB-CB 4.26Å; V30-A52 HydrophobicContact CG1-CB 3.97Å; V30-P285 HydrophobicContact CG2-CB 3.96Å; V30-P285 HydrophobicContact CG2-CG 4Å; V30-Y288 HydrophobicContact CG1-CD2 4.34Å; V30-Y288 HydrophobicContact CG1-CE2 4.31Å; V30-Y288 HydrophobicContact CG2-CD2 3.76Å; V30-Y288 HydrophobicContact CG2-CE2 4.27Å; V30-F295 HydrophobicContact CG1-CE1 4.06Å; V30-F295 HydrophobicContact CG1-CZ 4.18Å; V30-F299 HydrophobicContact CG2-CZ 3.88Å
31I97.1Very high94.1Very high49 Ų4957.6 Ų57.625%0.25130%0.301SS..Hα-helixtrans-61.4-45.6179.3-63.9165.2000110.3N27 V28 V34 K35 V49 A52 V53 V56N27-I31 WeakPolarHBondContact O-CG1 3.43Å; N27-I31 PolarHBondContact O-N 3.32Å; V28-I31 PolarHBondContact O-N 3.27Å; I31-V34 PolarHBondContact O-N 3.13Å; I31-K35 PolarHBondContact O-N 2.84Å; I31-V49 HydrophobicContact CG1-CG1 4.41Å; I31-A52 HydrophobicContact CD1-CB 4.19Å; I31-A52 HydrophobicContact CG1-CB 3.81Å; I31-V53 HydrophobicContact CD1-CG2 3.81Å; I31-V56 HydrophobicContact CD1-CG2 4.32Å
32W96.4Very high93.3Very high80 Ų8055.1 Ų55.130%0.30329%0.288SS..Hα-helixtrans-62.2-45178.2-167.7-5.3000111.6V28 L29 V30 V34 K35 V36 I302 H306 F307V28-W32 WeakPolarHBondContact O-CB 3.33Å; V28-W32 PolarHBondContact O-N 3.46Å; L29-W32 PolarHBondContact O-N 2.83Å; V30-W32 PolarHBondContact O-N 3.39Å; W32-V34 VanDerWaalsContact C-N 3.32Å; W32-V34 PolarHBondContact O-N 2.89Å; W32-K35 WeakPolarHBondContact O-CB 3.21Å; W32-K35 PolarHBondContact O-N 2.88Å; W32-K35 VanDerWaalsContact O-N 3.07Å; W32-V36 WeakPolarHBondContact O-CG1 3.39Å; W32-V36 PolarHBondContact O-N 3.43Å; W32-I302 HydrophobicContact CB-CD1 4.24Å; W32-I302 HydrophobicContact CD2-CD1 4.2Å; W32-I302 HydrophobicContact CD2-CG2 4.02Å; W32-I302 HydrophobicContact CE3-CG2 3.77Å; W32-I302 HydrophobicContact CG-CD1 3.94Å; W32-I302 HydrophobicContact CH2-CG2 4.01Å; W32-I302 HydrophobicContact CZ2-CG2 4.23Å; W32-I302 HydrophobicContact CZ3-CG2 3.77Å; W32-H306 HydrophobicContact CH2-CB 3.97Å; W32-H306 AromaticContact CH2-CD2 3.56Å; W32-H306 AromaticContact CH2-CG 3.66Å; W32-H306 AromaticContact CZ2-CD2 3.44Å; W32-H306 VanDerWaalsContact CZ2-CD2 3.44Å; W32-H306 WeakPolarHBondContact CZ2-CD2 3.37Å; W32-H306 AromaticContact CZ2-CG 3.96Å; W32-H306 AromaticContact CZ2-NE2 3.56Å; W32-F307 HydrophobicContact CE3-CE2 4.34Å; W32-F307 HydrophobicContact CH2-CE2 4.27Å; W32-F307 AromaticContact CZ3-CE2 3.57Å; W32-F307 HydrophobicContact CZ3-CE2 3.57Å; W32-F307 AromaticContact CZ3-CZ 3.81Å; W32-F307 HydrophobicContact CZ3-CZ 3.81Å
33A95.3Very high92.4Very high0 Ų052.6 Ų52.60%027%0.274CS..Hα-helixtrans-58.1-42.7178.600000112.5L29 V30 N37 L40 F295 T298 F299 I302L29-A33 VanDerWaalsContact O-CB 3.29Å; L29-A33 WeakPolarHBondContact O-CB 3.34Å; L29-A33 PolarHBondContact O-N 2.98Å; V30-A33 PolarHBondContact O-N 3.49Å; A33-N37 VanDerWaalsContact O-CB 3.27Å; A33-N37 WeakPolarHBondContact O-CB 3.3Å; A33-N37 PolarHBondContact O-N 3.45Å; A33-L40 HydrophobicContact CB-CD1 4.36Å; A33-F295 HydrophobicContact CB-CD1 3.87Å; A33-F295 HydrophobicContact CB-CE1 3.98Å; A33-T298 HydrophobicContact CB-CG2 3.67Å; A33-F299 HydrophobicContact CB-CD1 3.9Å; A33-F299 HydrophobicContact CB-CE1 3.57Å; A33-I302 HydrophobicContact CB-CD1 4.27Å
34V94.4Very high91.8Very high16 Ų1652.8 Ų52.810%0.09728%0.275CS..Hα-helixtrans-67.7-36.5176.5177.60000111.6V30 I31 W32 L40 F45 V49 F295V30-V34 WeakPolarHBondContact O-CG2 3.31Å; V30-V34 PolarHBondContact O-N 3.4Å; V30-V34 VanDerWaalsContact O-N 3.15Å; I31-V34 PolarHBondContact O-N 3.13Å; W32-V34 VanDerWaalsContact C-N 3.32Å; W32-V34 PolarHBondContact O-N 2.89Å; V34-L40 HydrophobicContact CG2-CB 4.39Å; V34-L40 HydrophobicContact CG2-CD1 4.43Å; V34-F45 HydrophobicContact CG1-CB 4.09Å; V34-F45 HydrophobicContact CG2-CB 4.21Å; V34-V49 HydrophobicContact CB-CG2 3.74Å; V34-V49 HydrophobicContact CG1-CG2 3.71Å; V34-V49 HydrophobicContact CG2-CG2 3.91Å; V34-F295 HydrophobicContact CG2-CE1 3.87Å; V34-F295 HydrophobicContact CG2-CZ 3.83Å
35K93.6Very high91.2Very high162 Ų16251.9 Ų51.970%0.70427%0.268SS*.Hα-helixtrans-64.8-45.6178.1-172.4176.9179.1-1790112.1I31 W32 R41I31-K35 PolarHBondContact O-N 2.84Å; W32-K35 WeakPolarHBondContact O-CB 3.21Å; W32-K35 PolarHBondContact O-N 2.88Å; W32-K35 VanDerWaalsContact O-N 3.07Å; K35-R41 PolarHBondContact O-NH2 3.48Å
36V93.4Very high90.8Very high80 Ų8050.9 Ų50.949%0.48526%0.262SS..Hα-helixtrans-80.3-38.3-17574.20000112.9W32 Q38 T298 I302W32-V36 WeakPolarHBondContact O-CG1 3.39Å; W32-V36 PolarHBondContact O-N 3.43Å; V36-Q38 PolarHBondContact O-N 3.26Å; V36-T298 HydrophobicContact CG1-CG2 3.63Å; V36-I302 HydrophobicContact CG1-CD1 4.27Å
37N91.8Very high90.6Very high41 Ų4150.8 Ų50.822%0.21926%0.257CS..  trans-93.9107.9-172.6-169.2-18.7000111.8A33 A39 L40 T298A33-N37 VanDerWaalsContact O-CB 3.27Å; A33-N37 WeakPolarHBondContact O-CB 3.3Å; A33-N37 PolarHBondContact O-N 3.45Å; N37-A39 PolarHBondContact O-N 3.43Å; N37-A39 VanDerWaalsContact O-N 3.16Å; N37-A39 VanDerWaalsContact OD1-CB 3.24Å; N37-A39 WeakPolarHBondContact OD1-CB 2.96Å; N37-A39 PolarHBondContact OD1-N 2.87Å; N37-L40 HydrophobicContact CB-CB 4.41Å; N37-L40 HydrophobicContact CB-CD1 3.94Å; N37-L40 HydrophobicContact CB-CG 4.05Å; N37-L40 WeakPolarHBondContact O-CB 3.49Å; N37-L40 PolarHBondContact O-N 3.38Å; N37-T298 HydrophobicContact CB-CG2 4.07Å; N37-T298 PolarHBondContact ND2-OG1 2.88Å
38Q88.1Confident90.3Very high148 Ų14850.8 Ų50.869%0.69226%0.257SS*.G310 helixtrans-59.6-27.1177.4-62.7-174.62.200113.3V36 L40 R41V36-Q38 PolarHBondContact O-N 3.26Å; Q38-L40 PolarHBondContact O-N 3.48Å; Q38-R41 WeakPolarHBondContact O-CB 3.39Å; Q38-R41 PolarHBondContact O-N 3.31Å; Q38-R41 VanDerWaalsContact O-N 3.07Å
39A84.9Confident90.2Very high54 Ų5449.3 Ų49.345%0.44625%0.248SC..G310 helixtrans-71.7-6.7176.400000113.9N37 K294N37-A39 PolarHBondContact O-N 3.43Å; N37-A39 VanDerWaalsContact O-N 3.16Å; N37-A39 VanDerWaalsContact OD1-CB 3.24Å; N37-A39 WeakPolarHBondContact OD1-CB 2.96Å; N37-A39 PolarHBondContact OD1-N 2.87Å; A39-K294 PolarHBondContact O-NZ 2.87Å
40L84Confident90.2Very high0 Ų047.7 Ų47.70%024%0.24CC..G310 helixtrans-104.76.9172.2-61.5178.3000112.3A33 V34 N37 Q38 D42 F45 K294 F295A33-L40 HydrophobicContact CB-CD1 4.36Å; V34-L40 HydrophobicContact CG2-CB 4.39Å; V34-L40 HydrophobicContact CG2-CD1 4.43Å; N37-L40 HydrophobicContact CB-CB 4.41Å; N37-L40 HydrophobicContact CB-CD1 3.94Å; N37-L40 HydrophobicContact CB-CG 4.05Å; N37-L40 WeakPolarHBondContact O-CB 3.49Å; N37-L40 PolarHBondContact O-N 3.38Å; Q38-L40 PolarHBondContact O-N 3.48Å; L40-D42 VanDerWaalsContact C-N 3.26Å; L40-D42 PolarHBondContact O-N 2.92Å; L40-F45 HydrophobicContact CB-CD1 4.47Å; L40-F45 HydrophobicContact CB-CD2 4.23Å; L40-F45 HydrophobicContact CB-CE2 4.48Å; L40-F45 HydrophobicContact CB-CG 4.24Å; L40-F45 HydrophobicContact CD2-CD1 4.03Å; L40-F45 HydrophobicContact CD2-CD2 4.38Å; L40-F45 HydrophobicContact CD2-CE1 3.53Å; L40-F45 HydrophobicContact CD2-CE2 3.9Å; L40-F45 HydrophobicContact CD2-CG 4.45Å; L40-F45 HydrophobicContact CD2-CZ 3.45Å; L40-F45 VanDerWaalsContact CD2-CZ 3.45Å; L40-F45 WeakPolarHBondContact O-CB 3.43Å; L40-F45 WeakPolarHBondContact O-CD2 3.33Å; L40-F45 WeakPolarHBondContact O-CG 3.42Å; L40-K294 HydrophobicContact CD2-CB 3.64Å; L40-K294 HydrophobicContact CD2-CD 3.79Å; L40-K294 HydrophobicContact CD2-CG 4.4Å; L40-K294 HydrophobicContact CG-CB 4.44Å; L40-F295 HydrophobicContact CD1-CD1 4.06Å; L40-F295 HydrophobicContact CD1-CE1 3.94Å; L40-F295 HydrophobicContact CD1-CZ 4.37Å
41R80.5Confident90.2Very high160 Ų16047.8 Ų47.860%0.60424%0.241SC*.  trans-87.163.7176.9-65.8-178.1-176.6178.8-0.8111.7K35 Q38K35-R41 PolarHBondContact O-NH2 3.48Å; Q38-R41 WeakPolarHBondContact O-CB 3.39Å; Q38-R41 PolarHBondContact O-N 3.31Å; Q38-R41 VanDerWaalsContact O-N 3.07Å
42D81Confident90.2Very high62 Ų6245.5 Ų45.533%0.33223%0.229SC..SBendtrans-122.9158175.8-157.9-20.8000109.9L40 T44 F45 C46 R108L40-D42 VanDerWaalsContact C-N 3.26Å; L40-D42 PolarHBondContact O-N 2.92Å; D42-T44 VanDerWaalsContact C-N 3.27Å; D42-T44 PolarHBondContact O-N 3.1Å; D42-T44 VanDerWaalsContact O-N 3.16Å; D42-F45 HydrophobicContact CB-CD2 3.71Å; D42-F45 HydrophobicContact CB-CE2 4.08Å; D42-F45 WeakPolarHBondContact O-CB 3.35Å; D42-F45 PolarHBondContact O-N 3.33Å; D42-C46 PolarHBondContact O-N 2.91Å; D42-R108 VanDerWaalsContact CG-NH1 3.31Å; D42-R108 IonicContact OD1-CZ 2.79Å; D42-R108 IonicContact OD1-NH1 2.91Å; D42-R108 PolarHBondContact OD1-NH1 2.95Å; D42-R108 IonicContact OD1-NH2 3.48Å; D42-R108 PolarHBondContact OD1-NH2 3.21Å; D42-R108 IonicContact OD2-CZ 2.71Å; D42-R108 IonicContact OD2-NH1 3.56Å; D42-R108 PolarHBondContact OD2-NH1 3.35Å; D42-R108 IonicContact OD2-NH2 3.03Å; D42-R108 PolarHBondContact OD2-NH2 3.4Å
43A79.7Confident90.3Very high10 Ų1044.8 Ų44.88%0.08323%0.233CC..Hα-helixtrans-55.4-38-172.600000113.4F45 C46 F47 V119 A124A43-F45 VanDerWaalsContact C-N 3.25Å; A43-F45 PolarHBondContact O-N 3.32Å; A43-C46 WeakPolarHBondContact O-CB 3.34Å; A43-C46 PolarHBondContact O-N 3.43Å; A43-C46 VanDerWaalsContact O-N 3.17Å; A43-F47 VanDerWaalsContact O-CD2 3.22Å; A43-F47 WeakPolarHBondContact O-CD2 3.41Å; A43-F47 PolarHBondContact O-N 3.49Å; A43-V119 HydrophobicContact CB-CG1 3.56Å; A43-A124 HydrophobicContact CB-CB 4.42Å
44T83.6Confident90.4Very high4 Ų444.8 Ų44.83%0.02523%0.233CC..Hα-helixtrans-57.6-39.9174.9-40.30000112.2D42 C46 F47 I48 I101 D104 R105 R108D42-T44 VanDerWaalsContact C-N 3.27Å; D42-T44 PolarHBondContact O-N 3.1Å; D42-T44 VanDerWaalsContact O-N 3.16Å; T44-C46 VanDerWaalsContact C-N 3.31Å; T44-F47 PolarHBondContact O-N 3.19Å; T44-I48 HydrophobicContact CG2-CD1 4.21Å; T44-I48 WeakPolarHBondContact O-CG1 3.32Å; T44-I48 PolarHBondContact O-N 3.39Å; T44-I101 HydrophobicContact CG2-CG2 4.23Å; T44-D104 PolarHBondContact OG1-OD2 3.2Å; T44-R105 PolarHBondContact OG1-NH2 3.06Å; T44-R108 PolarHBondContact OG1-NH2 3.41Å
45F86.2Confident90.5Very high22 Ų2244.1 Ų44.110%0.09623%0.229CC..Hα-helixtrans-74.7-25.1-177.2-62.1-68.9000111.7V34 L40 D42 A43 F47 I48 V49 F295V34-F45 HydrophobicContact CG1-CB 4.09Å; V34-F45 HydrophobicContact CG2-CB 4.21Å; L40-F45 HydrophobicContact CB-CD1 4.47Å; L40-F45 HydrophobicContact CB-CD2 4.23Å; L40-F45 HydrophobicContact CB-CE2 4.48Å; L40-F45 HydrophobicContact CB-CG 4.24Å; L40-F45 HydrophobicContact CD2-CD1 4.03Å; L40-F45 HydrophobicContact CD2-CD2 4.38Å; L40-F45 HydrophobicContact CD2-CE1 3.53Å; L40-F45 HydrophobicContact CD2-CE2 3.9Å; L40-F45 HydrophobicContact CD2-CG 4.45Å; L40-F45 HydrophobicContact CD2-CZ 3.45Å; L40-F45 VanDerWaalsContact CD2-CZ 3.45Å; L40-F45 WeakPolarHBondContact O-CB 3.43Å; L40-F45 WeakPolarHBondContact O-CD2 3.33Å; L40-F45 WeakPolarHBondContact O-CG 3.42Å; D42-F45 HydrophobicContact CB-CD2 3.71Å; D42-F45 HydrophobicContact CB-CE2 4.08Å; D42-F45 WeakPolarHBondContact O-CB 3.35Å; D42-F45 PolarHBondContact O-N 3.33Å; A43-F45 VanDerWaalsContact C-N 3.25Å; A43-F45 PolarHBondContact O-N 3.32Å; F45-F47 VanDerWaalsContact C-N 3.35Å; F45-I48 HydrophobicContact CD1-CD1 3.73Å; F45-I48 HydrophobicContact CE1-CD1 4.13Å; F45-I48 PolarHBondContact O-N 2.99Å; F45-V49 VanDerWaalsContact O-CG2 3.31Å; F45-V49 WeakPolarHBondContact O-CG2 3.29Å; F45-V49 PolarHBondContact O-N 3.26Å; F45-F295 AromaticContact CD1-CE2 3.9Å; F45-F295 HydrophobicContact CD1-CE2 3.9Å; F45-F295 AromaticContact CD1-CZ 3.95Å; F45-F295 HydrophobicContact CD1-CZ 3.95Å; F45-F295 AromaticContact CE1-CE2 3.7Å; F45-F295 HydrophobicContact CE1-CE2 3.7Å; F45-F295 HydrophobicContact CE1-CZ 4.19Å
46C89.4Confident90.8Very high53 Ų5337.9 Ų37.936%0.35821%0.205SC..Hα-helixtrans-62.4-42.5168.4-60.20000111.4D42 A43 T44 V49 S50 I128D42-C46 PolarHBondContact O-N 2.91Å; A43-C46 WeakPolarHBondContact O-CB 3.34Å; A43-C46 PolarHBondContact O-N 3.43Å; A43-C46 VanDerWaalsContact O-N 3.17Å; T44-C46 VanDerWaalsContact C-N 3.31Å; C46-V49 PolarHBondContact O-N 3.41Å; C46-S50 PolarHBondContact O-N 3.22Å; C46-I128 HydrophobicContact CB-CD1 3.95Å
47F92.8Very high91Very high13 Ų1335.2 Ų35.26%0.05719%0.192CC..Hα-helixtrans-68.6-37.2174.4-61.3-64000112.4A43 T44 F45 V49 S50 L51 A100 I101 D104 A124 A127 I128A43-F47 VanDerWaalsContact O-CD2 3.22Å; A43-F47 WeakPolarHBondContact O-CD2 3.41Å; A43-F47 PolarHBondContact O-N 3.49Å; T44-F47 PolarHBondContact O-N 3.19Å; F45-F47 VanDerWaalsContact C-N 3.35Å; F47-V49 VanDerWaalsContact C-N 3.3Å; F47-V49 PolarHBondContact O-N 3.3Å; F47-S50 WeakPolarHBondContact O-CB 3.31Å; F47-S50 PolarHBondContact O-N 2.98Å; F47-L51 PolarHBondContact O-N 3.36Å; F47-A100 HydrophobicContact CD1-CB 3.62Å; F47-A100 HydrophobicContact CD2-CB 4.36Å; F47-A100 HydrophobicContact CE1-CB 3.59Å; F47-A100 HydrophobicContact CE2-CB 4.34Å; F47-A100 HydrophobicContact CG-CB 4.03Å; F47-A100 HydrophobicContact CZ-CB 3.97Å; F47-I101 HydrophobicContact CB-CD1 4.15Å; F47-I101 HydrophobicContact CB-CG1 3.55Å; F47-I101 HydrophobicContact CG-CG1 4.43Å; F47-D104 HydrophobicContact CE2-CB 4.43Å; F47-A124 HydrophobicContact CE2-CB 4.48Å; F47-A124 HydrophobicContact CZ-CB 4.16Å; F47-A127 HydrophobicContact CE1-CB 4.09Å; F47-A127 HydrophobicContact CZ-CB 4.21Å; F47-I128 HydrophobicContact CD1-CD1 4.05Å; F47-I128 HydrophobicContact CD1-CG1 3.55Å; F47-I128 HydrophobicContact CE1-CD1 4.27Å; F47-I128 HydrophobicContact CE1-CG1 3.61Å
48I93.3Very high91.3Very high2 Ų233.7 Ų33.71%0.0118%0.184CC..Hα-helixtrans-61.7-38.6172.9-68.9167.1000111V30 T44 F45 L51 A52 I101 Y288 F295V30-I48 HydrophobicContact CG1-CG2 3.75Å; T44-I48 HydrophobicContact CG2-CD1 4.21Å; T44-I48 WeakPolarHBondContact O-CG1 3.32Å; T44-I48 PolarHBondContact O-N 3.39Å; F45-I48 HydrophobicContact CD1-CD1 3.73Å; F45-I48 HydrophobicContact CE1-CD1 4.13Å; F45-I48 PolarHBondContact O-N 2.99Å; I48-L51 PolarHBondContact O-N 3.3Å; I48-A52 WeakPolarHBondContact O-CB 3.46Å; I48-A52 PolarHBondContact O-N 2.94Å; I48-I101 HydrophobicContact CG1-CD1 3.97Å; I48-Y288 HydrophobicContact CG2-CE2 3.79Å; I48-F295 HydrophobicContact CG2-CZ 4.2Å
49V95.7Very high91.7Very high37 Ų3726.8 Ų26.822%0.22415%0.152CC..Hα-helixtrans-64.2-44.4173.2167.60000110.8I31 V34 F45 C46 F47 L51 A52 V53I31-V49 HydrophobicContact CG1-CG1 4.41Å; V34-V49 HydrophobicContact CB-CG2 3.74Å; V34-V49 HydrophobicContact CG1-CG2 3.71Å; V34-V49 HydrophobicContact CG2-CG2 3.91Å; F45-V49 VanDerWaalsContact O-CG2 3.31Å; F45-V49 WeakPolarHBondContact O-CG2 3.29Å; F45-V49 PolarHBondContact O-N 3.26Å; C46-V49 PolarHBondContact O-N 3.41Å; F47-V49 VanDerWaalsContact C-N 3.3Å; F47-V49 PolarHBondContact O-N 3.3Å; V49-L51 VanDerWaalsContact C-N 3.3Å; V49-L51 PolarHBondContact O-N 3.46Å; V49-A52 PolarHBondContact O-N 2.93Å; V49-V53 HydrophobicContact CG1-CG2 4.49Å; V49-V53 WeakPolarHBondContact O-CG2 3.41Å; V49-V53 PolarHBondContact O-N 3.44Å
50S96.4Very high92.3Very high8 Ų827.1 Ų27.16%0.05616%0.155CC..Hα-helixtrans-58.9-42.4175.7-1710000112.2C46 F47 V53 A54 W132C46-S50 PolarHBondContact O-N 3.22Å; F47-S50 WeakPolarHBondContact O-CB 3.31Å; F47-S50 PolarHBondContact O-N 2.98Å; S50-V53 PolarHBondContact O-N 2.92Å; S50-A54 PolarHBondContact O-N 2.89Å; S50-W132 PolarHBondContact OG-NE1 3.07Å
51L96.3Very high92.9Very high2 Ų231.1 Ų31.11%0.0118%0.176CC..Hα-helixtrans-63.7-46.6175.6179.662.3000111.3F47 I48 V49 V53 A54 D55 S94 A97 L98 I101F47-L51 PolarHBondContact O-N 3.36Å; I48-L51 PolarHBondContact O-N 3.3Å; V49-L51 VanDerWaalsContact C-N 3.3Å; V49-L51 PolarHBondContact O-N 3.46Å; L51-V53 VanDerWaalsContact C-N 3.28Å; L51-V53 PolarHBondContact O-N 3Å; L51-A54 WeakPolarHBondContact O-CB 3.37Å; L51-A54 PolarHBondContact O-N 3.21Å; L51-A54 VanDerWaalsContact O-N 3.09Å; L51-D55 PolarHBondContact O-N 2.9Å; L51-S94 WeakPolarHBondContact CD1-OG 3.28Å; L51-A97 HydrophobicContact CB-CB 4.12Å; L51-A97 HydrophobicContact CD1-CB 4.47Å; L51-L98 HydrophobicContact CD2-CD2 3.93Å; L51-L98 HydrophobicContact CD2-CG 4.37Å; L51-I101 HydrophobicContact CD2-CD1 4.43Å
52A97.4Very high93.7Very high2 Ų224 Ų242%0.01715%0.15CC..Hα-helixtrans-61.3-35.7177.400000112.4N27 V30 I31 I48 V49 D55 V56N27-A52 HydrophobicContact CB-CB 4.11Å; V30-A52 HydrophobicContact CB-CB 4.26Å; V30-A52 HydrophobicContact CG1-CB 3.97Å; I31-A52 HydrophobicContact CD1-CB 4.19Å; I31-A52 HydrophobicContact CG1-CB 3.81Å; I48-A52 WeakPolarHBondContact O-CB 3.46Å; I48-A52 PolarHBondContact O-N 2.94Å; V49-A52 PolarHBondContact O-N 2.93Å; A52-D55 PolarHBondContact O-N 3.4Å; A52-V56 VanDerWaalsContact O-CG2 3.32Å; A52-V56 WeakPolarHBondContact O-CG2 3.38Å; A52-V56 PolarHBondContact O-N 2.84Å
53V98.1Very high94.4Very high64 Ų6421.1 Ų21.139%0.38813%0.134SC..Hα-helixtrans-63.7-42.1173.91690000111.2I31 V49 S50 L51 V56 A57 W132I31-V53 HydrophobicContact CD1-CG2 3.81Å; V49-V53 HydrophobicContact CG1-CG2 4.49Å; V49-V53 WeakPolarHBondContact O-CG2 3.41Å; V49-V53 PolarHBondContact O-N 3.44Å; S50-V53 PolarHBondContact O-N 2.92Å; L51-V53 VanDerWaalsContact C-N 3.28Å; L51-V53 PolarHBondContact O-N 3Å; V53-V56 PolarHBondContact O-N 3.3Å; V53-A57 PolarHBondContact O-N 3.06Å; V53-W132 HydrophobicContact CG1-CH2 4.3Å; V53-W132 HydrophobicContact CG1-CZ2 4.03Å
54A97.4Very high95.2Very high0 Ų023 Ų230%015%0.146CC..Hα-helixtrans-62.7-44.9175.200000111.4S50 L51 V56 A57 V58 L90 W132S50-A54 PolarHBondContact O-N 2.89Å; L51-A54 WeakPolarHBondContact O-CB 3.37Å; L51-A54 PolarHBondContact O-N 3.21Å; L51-A54 VanDerWaalsContact O-N 3.09Å; A54-V56 PolarHBondContact O-N 3.31Å; A54-A57 WeakPolarHBondContact O-CB 3.1Å; A54-A57 PolarHBondContact O-N 3.49Å; A54-A57 VanDerWaalsContact O-N 3.13Å; A54-V58 WeakPolarHBondContact O-CG2 3.13Å; A54-V58 PolarHBondContact O-N 3.27Å; A54-L90 HydrophobicContact CB-CD2 4.29Å; A54-W132 HydrophobicContact CB-CH2 4.24Å; A54-W132 HydrophobicContact CB-CZ2 4.48Å
55D97.8Very high95.7Very high2 Ų224.6 Ų24.61%0.01115%0.154CC..Hα-helixtrans-66.9-35.4179.3-66.8-25.8000112.8S23 N27 L51 A52 A57 V58 G59 N284S23-D55 PolarHBondContact OG-O 3.12Å; N27-D55 HydrophobicContact CB-CB 4.44Å; N27-D55 WeakPolarHBondContact ND2-CB 3.31Å; L51-D55 PolarHBondContact O-N 2.9Å; A52-D55 PolarHBondContact O-N 3.4Å; D55-A57 VanDerWaalsContact C-N 3.35Å; D55-V58 PolarHBondContact O-N 3.3Å; D55-G59 PolarHBondContact O-N 2.99Å; D55-G59 VanDerWaalsContact O-N 3.12Å; D55-N284 PolarHBondContact OD2-ND2 2.99Å
56V98.5Very high96Very high31 Ų3124.7 Ų24.719%0.18816%0.159CC..Hα-helixtrans-60.2-46.2169.51670000110.1N27 V28 I31 A52 V53 A54 V58 G59 A60N27-V56 HydrophobicContact CB-CG2 3.53Å; V28-V56 HydrophobicContact CG2-CG2 3.98Å; I31-V56 HydrophobicContact CD1-CG2 4.32Å; A52-V56 VanDerWaalsContact O-CG2 3.32Å; A52-V56 WeakPolarHBondContact O-CG2 3.38Å; A52-V56 PolarHBondContact O-N 2.84Å; V53-V56 PolarHBondContact O-N 3.3Å; A54-V56 PolarHBondContact O-N 3.31Å; V56-V58 VanDerWaalsContact C-N 3.29Å; V56-V58 PolarHBondContact O-N 2.92Å; V56-G59 PolarHBondContact O-N 3.36Å; V56-A60 VanDerWaalsContact O-CB 3.23Å; V56-A60 WeakPolarHBondContact O-CB 3.4Å; V56-A60 PolarHBondContact O-N 3.26Å
57A98Very high96.1Very high25 Ų2523.3 Ų23.321%0.20715%0.148CC..Hα-helixtrans-65.4-31.9178.800000112.1V53 A54 D55 L61 V62 L90V53-A57 PolarHBondContact O-N 3.06Å; A54-A57 WeakPolarHBondContact O-CB 3.1Å; A54-A57 PolarHBondContact O-N 3.49Å; A54-A57 VanDerWaalsContact O-N 3.13Å; D55-A57 VanDerWaalsContact C-N 3.35Å; A57-L61 WeakPolarHBondContact O-CA 3.46Å; A57-L61 VanDerWaalsContact O-CB 3.23Å; A57-L61 WeakPolarHBondContact O-CB 3.28Å; A57-L61 PolarHBondContact O-N 2.93Å; A57-V62 PolarHBondContact O-N 3.44Å; A57-L90 HydrophobicContact CB-CD1 3.58Å; A57-L90 HydrophobicContact CB-CD2 3.67Å; A57-L90 HydrophobicContact CB-CG 4.29Å
58V97.8Very high96Very high9 Ų927.7 Ų27.76%0.05517%0.171CC..Iπ-helixtrans-61.1-50.2171.3174.90000110.5A54 D55 V56 V62 I63 L90 S281A54-V58 WeakPolarHBondContact O-CG2 3.13Å; A54-V58 PolarHBondContact O-N 3.27Å; D55-V58 PolarHBondContact O-N 3.3Å; V56-V58 VanDerWaalsContact C-N 3.29Å; V56-V58 PolarHBondContact O-N 2.92Å; V58-V62 HydrophobicContact CG1-CB 4.26Å; V58-V62 HydrophobicContact CG2-CG2 4.47Å; V58-V62 WeakPolarHBondContact O-CB 3.47Å; V58-V62 PolarHBondContact O-N 3.03Å; V58-V62 VanDerWaalsContact O-N 3.15Å; V58-I63 HydrophobicContact CG1-CG1 4.37Å; V58-I63 PolarHBondContact O-N 3.05Å; V58-L90 HydrophobicContact CG2-CB 4.08Å; V58-L90 HydrophobicContact CG2-CD1 4.05Å; V58-S281 VanDerWaalsContact CG1-OG 3.28Å; V58-S281 WeakPolarHBondContact CG1-OG 3.23Å
59G97.1Very high95.7Very high3 Ų330.1 Ų30.13%0.03118%0.184CC..Iπ-helixtrans-69-36.6-179.500000114.5D55 V56 P64D55-G59 PolarHBondContact O-N 2.99Å; D55-G59 VanDerWaalsContact O-N 3.12Å; V56-G59 PolarHBondContact O-N 3.36Å; G59-P64 WeakPolarHBondContact O-CD 3.31Å
60A97.9Very high95.1Very high61 Ų6130.8 Ų30.850%0.50419%0.186SC..Iπ-helixtrans-91.9-20-173.500000114.2V24 V56V24-A60 HydrophobicContact CG2-CB 4.16Å; V56-A60 VanDerWaalsContact O-CB 3.23Å; V56-A60 WeakPolarHBondContact O-CB 3.4Å; V56-A60 PolarHBondContact O-N 3.26Å
61L96.7Very high94.6Very high84 Ų8434.1 Ų34.144%0.4420%0.202SC..Iπ-helixtrans-125-56.6-178.1-177.965.1000112.3A57 P64 L65 P86A57-L61 WeakPolarHBondContact O-CA 3.46Å; A57-L61 VanDerWaalsContact O-CB 3.23Å; A57-L61 WeakPolarHBondContact O-CB 3.28Å; A57-L61 PolarHBondContact O-N 2.93Å; L61-P64 WeakPolarHBondContact O-CD 3.42Å; L61-L65 HydrophobicContact CD1-CD1 3.61Å; L61-L65 HydrophobicContact CD1-CG 4.14Å; L61-L65 HydrophobicContact CG-CD1 3.74Å; L61-L65 VanDerWaalsContact O-CB 3.31Å; L61-L65 WeakPolarHBondContact O-CB 3.39Å; L61-L65 WeakPolarHBondContact O-CG 3.22Å; L61-L65 PolarHBondContact O-N 3.3Å; L61-P86 HydrophobicContact CD2-CB 4.36Å
62V96.7Very high93.7Very high10 Ų1035.6 Ų35.66%0.06122%0.219CC..Iπ-helixtrans-64.1-49.1-173175.80000112A57 V58 L65 A66 P86 V87 L90A57-V62 PolarHBondContact O-N 3.44Å; V58-V62 HydrophobicContact CG1-CB 4.26Å; V58-V62 HydrophobicContact CG2-CG2 4.47Å; V58-V62 WeakPolarHBondContact O-CB 3.47Å; V58-V62 PolarHBondContact O-N 3.03Å; V58-V62 VanDerWaalsContact O-N 3.15Å; V62-L65 PolarHBondContact O-N 2.71Å; V62-A66 WeakPolarHBondContact O-CB 3.48Å; V62-A66 PolarHBondContact O-N 3.3Å; V62-P86 HydrophobicContact CG2-CB 4.32Å; V62-V87 HydrophobicContact CG1-CB 3.75Å; V62-V87 HydrophobicContact CG1-CG2 3.91Å; V62-V87 HydrophobicContact CG2-CB 4.2Å; V62-L90 HydrophobicContact CG2-CD1 3.55Å
63I96.4Very high93.1Very high1 Ų141 Ų411%0.00525%0.253CS..Hα-helixtrans-63.4-48.8-178.5-66.9177.7000111.4E16 I19 A20 V58 L65 A66 I67 H278E16-I63 HydrophobicContact CB-CG2 3.79Å; I19-I63 HydrophobicContact CB-CD1 4.23Å; I19-I63 HydrophobicContact CG2-CD1 3.68Å; A20-I63 HydrophobicContact CB-CB 4.37Å; A20-I63 HydrophobicContact CB-CD1 4.02Å; A20-I63 HydrophobicContact CB-CG2 4.07Å; V58-I63 HydrophobicContact CG1-CG1 4.37Å; V58-I63 PolarHBondContact O-N 3.05Å; I63-L65 VanDerWaalsContact C-N 3.3Å; I63-L65 PolarHBondContact O-N 2.86Å; I63-A66 PolarHBondContact O-N 3.49Å; I63-I67 HydrophobicContact CG2-CD1 3.97Å; I63-I67 WeakPolarHBondContact O-CG1 3.47Å; I63-I67 PolarHBondContact O-N 2.74Å; I63-H278 HydrophobicContact CD1-CB 4.06Å; I63-H278 HydrophobicContact CG1-CB 4.28Å
64P96.2Very high92.7Very high50 Ų5043.9 Ų43.933%0.32526%0.263SS..Hα-helixtrans-56-42.4173.3-29.636.5000113.5G59 L61 I67 L68G59-P64 WeakPolarHBondContact O-CD 3.31Å; L61-P64 WeakPolarHBondContact O-CD 3.42Å; P64-I67 PolarHBondContact O-N 2.92Å; P64-L68 WeakPolarHBondContact O-CB 3.35Å; P64-L68 VanDerWaalsContact O-CG 3.27Å; P64-L68 WeakPolarHBondContact O-CG 3.28Å; P64-L68 PolarHBondContact O-N 3.27Å
65L94.1Very high92.5Very high38 Ų3845.6 Ų45.620%0.19927%0.273CS..Hα-helixtrans-64.6-40.2177.1-75.5174.1000112.6L61 V62 I63 L68 I69 V83 P86L61-L65 HydrophobicContact CD1-CD1 3.61Å; L61-L65 HydrophobicContact CD1-CG 4.14Å; L61-L65 HydrophobicContact CG-CD1 3.74Å; L61-L65 VanDerWaalsContact O-CB 3.31Å; L61-L65 WeakPolarHBondContact O-CB 3.39Å; L61-L65 WeakPolarHBondContact O-CG 3.22Å; L61-L65 PolarHBondContact O-N 3.3Å; V62-L65 PolarHBondContact O-N 2.71Å; I63-L65 VanDerWaalsContact C-N 3.3Å; I63-L65 PolarHBondContact O-N 2.86Å; L65-L68 PolarHBondContact O-N 3.38Å; L65-I69 WeakPolarHBondContact O-CG1 3.47Å; L65-I69 PolarHBondContact O-N 3.16Å; L65-V83 HydrophobicContact CB-CG1 3.67Å; L65-V83 HydrophobicContact CD1-CG1 4.07Å; L65-V83 HydrophobicContact CD2-CG1 3.94Å; L65-V83 HydrophobicContact CD2-CG2 4.33Å; L65-V83 HydrophobicContact CG-CG1 4.09Å; L65-P86 HydrophobicContact CD1-CG 4.49Å
66A92.3Very high92.4Very high24 Ų2451.4 Ų51.420%0.19830%0.295CS..Hα-helixtrans-63.1-42.3175.600000111.6V62 I63 I69 N70V62-A66 WeakPolarHBondContact O-CB 3.48Å; V62-A66 PolarHBondContact O-N 3.3Å; I63-A66 PolarHBondContact O-N 3.49Å; A66-I69 PolarHBondContact O-N 3.02Å; A66-N70 WeakPolarHBondContact O-CB 3.26Å; A66-N70 PolarHBondContact O-N 2.95Å
67I92.2Very high92.2Very high24 Ų2449.9 Ų49.912%0.12329%0.286CS..Hα-helixtrans-62.4-48.8173.8-67.5165.3000110.5I13 E16 V17 I63 P64 I69 N70 I71I13-I67 HydrophobicContact CG1-CG2 4.2Å; I13-I67 HydrophobicContact CG2-CG2 4.28Å; E16-I67 HydrophobicContact CB-CD1 3.88Å; E16-I67 HydrophobicContact CB-CG1 4.06Å; V17-I67 HydrophobicContact CG2-CD1 3.83Å; I63-I67 HydrophobicContact CG2-CD1 3.97Å; I63-I67 WeakPolarHBondContact O-CG1 3.47Å; I63-I67 PolarHBondContact O-N 2.74Å; P64-I67 PolarHBondContact O-N 2.92Å; I67-I69 VanDerWaalsContact C-N 3.32Å; I67-I69 PolarHBondContact O-N 3.31Å; I67-N70 WeakPolarHBondContact O-CB 3.48Å; I67-N70 PolarHBondContact O-N 3.49Å; I67-I71 WeakPolarHBondContact O-CG1 3.45Å; I67-I71 PolarHBondContact O-N 3.42Å
68L89Confident92Very high104 Ų10452.7 Ų52.755%0.54530%0.295SS..Hα-helixtrans-59.4-40.5180-76.1171.3000112.2P64 L65 N70 G72P64-L68 WeakPolarHBondContact O-CB 3.35Å; P64-L68 VanDerWaalsContact O-CG 3.27Å; P64-L68 WeakPolarHBondContact O-CG 3.28Å; P64-L68 PolarHBondContact O-N 3.27Å; L65-L68 PolarHBondContact O-N 3.38Å; L68-N70 VanDerWaalsContact C-N 3.34Å; L68-G72 WeakPolarHBondContact O-CA 3.42Å; L68-G72 PolarHBondContact O-N 2.84Å
69I87.3Confident91.8Very high54 Ų5455.5 Ų55.528%0.27731%0.312SS..Hα-helixtrans-65.3-39.4173.4-77.2169.2000111.3L65 A66 I67 V83 C169L65-I69 WeakPolarHBondContact O-CG1 3.47Å; L65-I69 PolarHBondContact O-N 3.16Å; A66-I69 PolarHBondContact O-N 3.02Å; I67-I69 VanDerWaalsContact C-N 3.32Å; I67-I69 PolarHBondContact O-N 3.31Å; I69-V83 HydrophobicContact CD1-CB 3.79Å; I69-V83 HydrophobicContact CD1-CG1 3.16Å; I69-V83 HydrophobicContact CG1-CG1 4.02Å; I69-C169 WeakPolarHBondContact CD1-SG 3.45Å; I69-C169 HydrophobicContact CG1-CB 4.39Å; I69-C169 HydrophobicContact CG2-CB 3.79Å; I69-C169 VanDerWaalsContact CG2-O 3.31Å; I69-C169 WeakPolarHBondContact CG2-O 3.41Å
70N84.7Confident91.7Very high51 Ų5155.4 Ų55.427%0.27331%0.311SS..Hα-helixtrans-67.3-38.3-176.8-173.5-88.1000112.8Q9 Y12 A66 I67 L68Q9-N70 WeakPolarHBondContact CG-OD1 3.32Å; Q9-N70 PolarHBondContact NE2-O 3.15Å; Q9-N70 PolarHBondContact NE2-OD1 2.92Å; Y12-N70 HydrophobicContact CD1-CB 4.39Å; Y12-N70 HydrophobicContact CE1-CB 3.83Å; A66-N70 WeakPolarHBondContact O-CB 3.26Å; A66-N70 PolarHBondContact O-N 2.95Å; I67-N70 WeakPolarHBondContact O-CB 3.48Å; I67-N70 PolarHBondContact O-N 3.49Å; L68-N70 VanDerWaalsContact C-N 3.34Å
71I84.7Confident91.6Very high77 Ų7752.5 Ų52.540%0.39529%0.287SS..Hα-helixtrans-92.5-18.3178.367.3171.1000113.4I13 I67I13-I71 HydrophobicContact CD1-CG2 3.66Å; I67-I71 WeakPolarHBondContact O-CG1 3.45Å; I67-I71 PolarHBondContact O-N 3.42Å
72G78.4Confident91.6Very high34 Ų3454.1 Ų54.135%0.35129%0.294SS..SBendtrans-74164.9-167.900000114L68L68-G72 WeakPolarHBondContact O-CA 3.42Å; L68-G72 PolarHBondContact O-N 2.84Å
73P83.7Confident91.5Very high114 Ų11455.4 Ų55.474%0.7430%0.302SS*.  trans-68.3176.6172.932.6-36.1000111.2
74Q90.4Very high91.4Very high126 Ų12655.8 Ų55.859%0.58931%0.305SS*.  trans-59.7147.2168-60179.96.300110.2V166 I167Q74-V166 HydrophobicContact CB-CG1 3.62Å; Q74-I167 WeakPolarHBondContact CA-O 3.42Å
75T93.8Very high91.4Very high35 Ų3553.5 Ų53.522%0.21529%0.29CS..EExtended strand (participates in β ladder)trans-127.4159.8-176.7610000110.3I167T75-I167 PolarHBondContact N-O 3.01Å; T75-I167 PolarHBondContact O-N 3.29Å; T75-I167 VanDerWaalsContact O-O 3.13Å
76Y94.5Very high91.6Very high124 Ų12452.9 Ų52.949%0.48629%0.289SS..EExtended strand (participates in β ladder)trans-59.4152.3164.8-63.7-68.6000111.5H78 T79 C80 E164 V166Y76-H78 VanDerWaalsContact C-N 3.32Å; Y76-H78 PolarHBondContact O-N 2.85Å; Y76-T79 PolarHBondContact O-N 2.92Å; Y76-C80 PolarHBondContact O-N 2.94Å; Y76-C80 VanDerWaalsContact O-N 3.16Å; Y76-E164 HydrophobicContact CD1-CB 4.07Å; Y76-E164 HydrophobicContact CD1-CG 4.03Å; Y76-E164 HydrophobicContact CE1-CB 4.37Å; Y76-V166 HydrophobicContact CD1-CG2 3.94Å; Y76-V166 HydrophobicContact CE1-CG2 3.76Å
77F94.5Very high91.7Very high0 Ų053.1 Ų53.10%029%0.288CS..Hα-helixtrans-54.9-48178.8-179.5-87.8000111.7T79 C80 L81 N147 L149 V152 P165 I167 V174F77-T79 PolarHBondContact O-N 2.69Å; F77-C80 PolarHBondContact O-N 2.71Å; F77-L81 HydrophobicContact CE1-CB 4.42Å; F77-L81 HydrophobicContact CE1-CD2 3.96Å; F77-L81 WeakPolarHBondContact O-CB 3.31Å; F77-L81 PolarHBondContact O-N 2.72Å; F77-N147 HydrophobicContact CE1-CB 4.38Å; F77-N147 HydrophobicContact CZ-CB 4.07Å; F77-L149 HydrophobicContact CB-CD1 4.27Å; F77-L149 HydrophobicContact CD1-CB 4.12Å; F77-L149 HydrophobicContact CD1-CD1 3.67Å; F77-L149 HydrophobicContact CD1-CG 4.36Å; F77-L149 HydrophobicContact CD2-CD1 4.32Å; F77-L149 HydrophobicContact CE1-CB 3.6Å; F77-L149 HydrophobicContact CE1-CD1 4.07Å; F77-L149 HydrophobicContact CE1-CG 4.31Å; F77-L149 HydrophobicContact CE2-CB 4.33Å; F77-L149 HydrophobicContact CG-CD1 3.82Å; F77-L149 HydrophobicContact CZ-CB 3.73Å; F77-L149 VanDerWaalsContact CZ-N 3.26Å; F77-V152 HydrophobicContact CD2-CB 4.38Å; F77-V152 HydrophobicContact CD2-CG1 4.5Å; F77-V152 HydrophobicContact CD2-CG2 4.21Å; F77-V152 HydrophobicContact CE2-CG2 4.08Å; F77-P165 PolarHBondContact N-O 2.54Å; F77-I167 HydrophobicContact CD2-CD1 4.09Å; F77-V174 HydrophobicContact CD2-CG1 3.85Å; F77-V174 HydrophobicContact CE2-CB 3.99Å; F77-V174 HydrophobicContact CE2-CG1 3.77Å; F77-V174 HydrophobicContact CZ-CB 4.19Å; F77-V174 HydrophobicContact CZ-CG1 4.38Å
78H93.7Very high92Very high84 Ų8452.3 Ų52.339%0.38928%0.283SS..Hα-helixtrans-65.9-37-178-70.7-59.5000113.1Y76 L81 M82 E164Y76-H78 VanDerWaalsContact C-N 3.32Å; Y76-H78 PolarHBondContact O-N 2.85Å; H78-L81 PolarHBondContact O-N 3.02Å; H78-M82 WeakPolarHBondContact O-CB 3.32Å; H78-M82 WeakPolarHBondContact O-CG 3.39Å; H78-M82 PolarHBondContact O-N 3.36Å; H78-E164 IonicContact CD2-OE1 3.91Å; H78-E164 PolarHBondContact CD2-OE1 2.9Å; H78-E164 IonicContact CG-OE1 2.74Å
79T94.1Very high92.4Very high67 Ų6748.4 Ų48.441%0.41126%0.263SS..Hα-helixtrans-60.8-47.9174.4-55.40000111Y76 F77 L81 M82 V83Y76-T79 PolarHBondContact O-N 2.92Å; F77-T79 PolarHBondContact O-N 2.69Å; T79-L81 PolarHBondContact O-N 3.28Å; T79-M82 PolarHBondContact O-N 3.45Å; T79-V83 VanDerWaalsContact O-CG2 3.29Å; T79-V83 WeakPolarHBondContact O-CG2 3.46Å; T79-V83 PolarHBondContact O-N 3.38Å; T79-V83 VanDerWaalsContact O-N 3.11Å
80C94.7Very high92.9Very high1 Ų146.4 Ų46.41%0.00725%0.252CS..Hα-helixtrans-64.3-41.9178.5-177.40000112Y76 F77 M82 V83 A84 C169 V174Y76-C80 PolarHBondContact O-N 2.94Å; Y76-C80 VanDerWaalsContact O-N 3.16Å; F77-C80 PolarHBondContact O-N 2.71Å; C80-M82 PolarHBondContact O-N 2.98Å; C80-V83 PolarHBondContact O-N 3.12Å; C80-A84 WeakPolarHBondContact O-CB 3.32Å; C80-A84 PolarHBondContact O-N 3Å; C80-C169 VanDerWaalsContact CA-SG 3.52Å; C80-C169 HydrophobicContact CB-CB 3.66Å; C80-C169 WeakPolarHBondContact CB-SG 3.08Å; C80-C169 WeakPolarHBondContact SG-CA 3.41Å; C80-C169 WeakPolarHBondContact SG-CB 3.09Å; C80-C169 CovalentContact SG-SG 2.02Å; C80-C169 PolarHBondContact SG-SG 2.87Å; C80-V174 HydrophobicContact CB-CG1 3.9Å; C80-V174 VanDerWaalsContact SG-CG1 3.57Å
81L95.8Very high93.5Very high1 Ų144.4 Ų44.41%0.00524%0.242CC..Hα-helixtrans-61-45.4177-176.464.3000111.8F77 H78 T79 V83 A84 C85 P142 M143 N147 V174 I175F77-L81 HydrophobicContact CE1-CB 4.42Å; F77-L81 HydrophobicContact CE1-CD2 3.96Å; F77-L81 WeakPolarHBondContact O-CB 3.31Å; F77-L81 PolarHBondContact O-N 2.72Å; H78-L81 PolarHBondContact O-N 3.02Å; T79-L81 PolarHBondContact O-N 3.28Å; L81-V83 VanDerWaalsContact C-N 3.3Å; L81-V83 PolarHBondContact O-N 3.06Å; L81-A84 PolarHBondContact O-N 3.35Å; L81-C85 PolarHBondContact O-N 2.96Å; L81-C85 PolarHBondContact O-SG 3.48Å; L81-P142 HydrophobicContact CD1-CB 3.89Å; L81-M143 HydrophobicContact CB-SD 4.4Å; L81-M143 HydrophobicContact CD2-SD 3.77Å; L81-M143 HydrophobicContact CG-SD 3.68Å; L81-N147 HydrophobicContact CD1-CB 4.09Å; L81-N147 HydrophobicContact CD2-CB 4.12Å; L81-V174 HydrophobicContact CB-CB 4.47Å; L81-V174 HydrophobicContact CD1-CB 4.35Å; L81-V174 HydrophobicContact CD1-CG2 4.46Å; L81-I175 HydrophobicContact CD1-CD1 3.54Å
82M95.7Very high94.1Very high117 Ų11740.8 Ų40.858%0.57622%0.223SC*.Hα-helixtrans-60.1-40.1176.5-79.2178.752.200112.1H78 T79 C80 A84 P86 M143H78-M82 WeakPolarHBondContact O-CB 3.32Å; H78-M82 WeakPolarHBondContact O-CG 3.39Å; H78-M82 PolarHBondContact O-N 3.36Å; T79-M82 PolarHBondContact O-N 3.45Å; C80-M82 PolarHBondContact O-N 2.98Å; M82-A84 VanDerWaalsContact C-N 3.34Å; M82-P86 WeakPolarHBondContact O-CD 3.43Å; M82-M143 HydrophobicContact CG-CE 3.59Å; M82-M143 HydrophobicContact CG-SD 3.89Å
83V94.4Very high95Very high37 Ų3739.1 Ų39.122%0.22421%0.207CC..Hα-helixtrans-73-27.6179.3179.20000112.2L65 I69 T79 C80 L81 P86L65-V83 HydrophobicContact CB-CG1 3.67Å; L65-V83 HydrophobicContact CD1-CG1 4.07Å; L65-V83 HydrophobicContact CD2-CG1 3.94Å; L65-V83 HydrophobicContact CD2-CG2 4.33Å; L65-V83 HydrophobicContact CG-CG1 4.09Å; I69-V83 HydrophobicContact CD1-CB 3.79Å; I69-V83 HydrophobicContact CD1-CG1 3.16Å; I69-V83 HydrophobicContact CG1-CG1 4.02Å; T79-V83 VanDerWaalsContact O-CG2 3.29Å; T79-V83 WeakPolarHBondContact O-CG2 3.46Å; T79-V83 PolarHBondContact O-N 3.38Å; T79-V83 VanDerWaalsContact O-N 3.11Å; C80-V83 PolarHBondContact O-N 3.12Å; L81-V83 VanDerWaalsContact C-N 3.3Å; L81-V83 PolarHBondContact O-N 3.06Å; V83-P86 WeakPolarHBondContact O-CD 3.5Å
84A94.8Very high95.6Very high9 Ų934 Ų347%0.07417%0.173CC..Hα-helixtrans-76.1-22176.800000114C80 L81 M82 V87 F171 V174 I175C80-A84 WeakPolarHBondContact O-CB 3.32Å; C80-A84 PolarHBondContact O-N 3Å; L81-A84 PolarHBondContact O-N 3.35Å; M82-A84 VanDerWaalsContact C-N 3.34Å; A84-V87 VanDerWaalsContact O-CG1 3.3Å; A84-V87 WeakPolarHBondContact O-CG1 3.38Å; A84-F171 HydrophobicContact CB-CD2 4.16Å; A84-F171 HydrophobicContact CB-CE2 4.38Å; A84-V174 HydrophobicContact CB-CG2 4.27Å; A84-I175 HydrophobicContact CB-CD1 4.02Å; A84-I175 HydrophobicContact CB-CG1 4.01Å
85C97.3Very high95.9Very high2 Ų228 Ų281%0.01415%0.145CC..Hα-helixtrans-74.4-37.7-175.4-67.30000115.6L81 V87 L88 I89 L140L81-C85 PolarHBondContact O-N 2.96Å; L81-C85 PolarHBondContact O-SG 3.48Å; C85-V87 VanDerWaalsContact C-N 3.29Å; C85-V87 PolarHBondContact O-N 3.14Å; C85-L88 WeakPolarHBondContact O-CB 3.4Å; C85-L88 PolarHBondContact O-N 3.37Å; C85-I89 PolarHBondContact O-N 3.47Å; C85-I89 VanDerWaalsContact O-N 3.1Å; C85-L140 HydrophobicContact CB-CD2 4.22Å
86P97.4Very high96.1Very high26 Ų2627.1 Ų27.117%0.16914%0.139CC..Hα-helixtrans-51.4-42.1179.4-32.734.7000114.4L61 V62 L65 M82 V83 L88 I89 L90L61-P86 HydrophobicContact CD2-CB 4.36Å; V62-P86 HydrophobicContact CG2-CB 4.32Å; L65-P86 HydrophobicContact CD1-CG 4.49Å; M82-P86 WeakPolarHBondContact O-CD 3.43Å; V83-P86 WeakPolarHBondContact O-CD 3.5Å; P86-L88 VanDerWaalsContact C-N 3.31Å; P86-L88 PolarHBondContact O-N 3.24Å; P86-I89 PolarHBondContact O-N 2.91Å; P86-L90 WeakPolarHBondContact O-CB 3.36Å; P86-L90 VanDerWaalsContact O-CG 3.25Å; P86-L90 WeakPolarHBondContact O-CG 3.38Å; P86-L90 PolarHBondContact O-N 3.48Å
87V95.2Very high96.2Very high29 Ų2921.2 Ų21.218%0.17612%0.116CC..Hα-helixtrans-64.4-37.2178.366.40000111.6V62 A84 C85 T91V62-V87 HydrophobicContact CG1-CB 3.75Å; V62-V87 HydrophobicContact CG1-CG2 3.91Å; V62-V87 HydrophobicContact CG2-CB 4.2Å; A84-V87 VanDerWaalsContact O-CG1 3.3Å; A84-V87 WeakPolarHBondContact O-CG1 3.38Å; C85-V87 VanDerWaalsContact C-N 3.29Å; C85-V87 PolarHBondContact O-N 3.14Å; V87-T91 VanDerWaalsContact O-CB 3.24Å; V87-T91 WeakPolarHBondContact O-CB 3.36Å; V87-T91 PolarHBondContact O-N 2.93Å; V87-T91 PolarHBondContact O-OG1 2.94Å
88L97.5Very high96.2Very high7 Ų721.7 Ų21.74%0.03712%0.119CC..Hα-helixtrans-64.8-44.5177.5-56.6176.7000111.4C85 P86 Q92 P142 F171 I175 Y179 M180C85-L88 WeakPolarHBondContact O-CB 3.4Å; C85-L88 PolarHBondContact O-N 3.37Å; P86-L88 VanDerWaalsContact C-N 3.31Å; P86-L88 PolarHBondContact O-N 3.24Å; L88-Q92 WeakPolarHBondContact O-CB 3.42Å; L88-Q92 PolarHBondContact O-N 3.32Å; L88-P142 HydrophobicContact CD1-CG 4.06Å; L88-F171 HydrophobicContact CD2-CE2 4.41Å; L88-F171 HydrophobicContact CD2-CZ 4.17Å; L88-I175 HydrophobicContact CD1-CD1 4.4Å; L88-Y179 HydrophobicContact CD1-CE1 3.87Å; L88-M180 HydrophobicContact CD2-CE 4.08Å; L88-M180 HydrophobicContact CD2-SD 3.78Å
89I98.4Very high96.4Very high21 Ų2119.2 Ų19.211%0.10811%0.108CC..Hα-helixtrans-62.5-50.7178.5-61.4162.1000110.3C85 P86 T91 Q92 S93 S135 L136 L140C85-I89 PolarHBondContact O-N 3.47Å; C85-I89 VanDerWaalsContact O-N 3.1Å; P86-I89 PolarHBondContact O-N 2.91Å; I89-T91 PolarHBondContact O-N 2.94Å; I89-Q92 PolarHBondContact O-N 2.9Å; I89-S93 PolarHBondContact O-N 3.28Å; I89-S135 WeakPolarHBondContact O-CB 3.45Å; I89-L136 HydrophobicContact CD1-CD2 4.02Å; I89-L136 HydrophobicContact CG1-CD2 4.45Å; I89-L136 HydrophobicContact CG2-CD2 3.91Å; I89-L136 HydrophobicContact CG2-CG 4.34Å; I89-L140 HydrophobicContact CD1-CD2 3.86Å; I89-L140 HydrophobicContact CD1-CG 4.03Å
90L97.9Very high96.5Very high12 Ų1216.8 Ų16.86%0.06310%0.095CC..Hα-helixtrans-67.9-38.9-174.8-66.1172.8000111.7A54 A57 V58 V62 P86 Q92 S93 S94 W132A54-L90 HydrophobicContact CB-CD2 4.29Å; A57-L90 HydrophobicContact CB-CD1 3.58Å; A57-L90 HydrophobicContact CB-CD2 3.67Å; A57-L90 HydrophobicContact CB-CG 4.29Å; V58-L90 HydrophobicContact CG2-CB 4.08Å; V58-L90 HydrophobicContact CG2-CD1 4.05Å; V62-L90 HydrophobicContact CG2-CD1 3.55Å; P86-L90 WeakPolarHBondContact O-CB 3.36Å; P86-L90 VanDerWaalsContact O-CG 3.25Å; P86-L90 WeakPolarHBondContact O-CG 3.38Å; P86-L90 PolarHBondContact O-N 3.48Å; L90-Q92 PolarHBondContact O-N 3.33Å; L90-S93 WeakPolarHBondContact O-CB 3.39Å; L90-S93 PolarHBondContact O-N 2.63Å; L90-S94 PolarHBondContact O-N 2.9Å; L90-S94 PolarHBondContact O-OG 3.37Å; L90-W132 HydrophobicContact CD2-CH2 4.05Å; L90-W132 HydrophobicContact CD2-CZ3 4.06Å
91T95.9Very high96.5Very high9 Ų916.9 Ų16.96%0.05510%0.095CC..Hα-helixtrans-60.2-46.5173.7-55.40000111.2V87 I89 S93 S94 I95 W247V87-T91 VanDerWaalsContact O-CB 3.24Å; V87-T91 WeakPolarHBondContact O-CB 3.36Å; V87-T91 PolarHBondContact O-N 2.93Å; V87-T91 PolarHBondContact O-OG1 2.94Å; I89-T91 PolarHBondContact O-N 2.94Å; T91-S93 VanDerWaalsContact C-N 3.3Å; T91-S93 PolarHBondContact O-N 2.92Å; T91-S94 PolarHBondContact O-N 3.48Å; T91-I95 HydrophobicContact CG2-CD1 4.19Å; T91-I95 WeakPolarHBondContact O-CG1 3.22Å; T91-I95 PolarHBondContact O-N 2.91Å; T91-W247 HydrophobicContact CG2-CD2 4.03Å; T91-W247 HydrophobicContact CG2-CE3 3.77Å; T91-W247 HydrophobicContact CG2-CH2 3.44Å; T91-W247 VanDerWaalsContact CG2-CH2 3.44Å; T91-W247 HydrophobicContact CG2-CZ2 3.66Å; T91-W247 HydrophobicContact CG2-CZ3 3.48Å; T91-W247 VanDerWaalsContact CG2-CZ3 3.48Å; T91-W247 WeakPolarHBondContact OG1-CH2 3.45Å; T91-W247 WeakPolarHBondContact OG1-CZ2 3.44Å
92Q98.1Very high96.5Very high1 Ų116.8 Ų16.81%0.00510%0.095CC..Hα-helixtrans-63.1-39.2178.4-168.26155.500111.9L88 I89 L90 S94 I95 L96 S135 V138 W188L88-Q92 WeakPolarHBondContact O-CB 3.42Å; L88-Q92 PolarHBondContact O-N 3.32Å; I89-Q92 PolarHBondContact O-N 2.9Å; L90-Q92 PolarHBondContact O-N 3.33Å; Q92-S94 VanDerWaalsContact C-N 3.32Å; Q92-S94 PolarHBondContact O-N 2.94Å; Q92-I95 PolarHBondContact O-N 3.21Å; Q92-L96 HydrophobicContact CG-CD1 4.18Å; Q92-L96 WeakPolarHBondContact O-CG 3.47Å; Q92-L96 PolarHBondContact O-N 3.5Å; Q92-S135 VanDerWaalsContact C-OG 3.31Å; Q92-V138 HydrophobicContact CG-CB 4.09Å; Q92-V138 HydrophobicContact CG-CG1 4.21Å; Q92-V138 HydrophobicContact CG-CG2 4.35Å; Q92-W188 PolarHBondContact NE2-O 3.45Å
93S97.9Very high96.5Very high0 Ų014 Ų140%09%0.085CC..Hα-helixtrans-60.7-43.8176.2-170.90000111I89 L90 T91 I95 L96 A97 W132 S135I89-S93 PolarHBondContact O-N 3.28Å; L90-S93 WeakPolarHBondContact O-CB 3.39Å; L90-S93 PolarHBondContact O-N 2.63Å; T91-S93 VanDerWaalsContact C-N 3.3Å; T91-S93 PolarHBondContact O-N 2.92Å; S93-I95 PolarHBondContact O-N 3.1Å; S93-L96 PolarHBondContact O-N 2.84Å; S93-A97 VanDerWaalsContact O-CB 3.28Å; S93-A97 WeakPolarHBondContact O-CB 3.47Å; S93-A97 PolarHBondContact O-N 3.31Å; S93-W132 WeakPolarHBondContact OG-CZ2 3.31Å; S93-S135 WeakPolarHBondContact CA-OG 3.44Å; S93-S135 PolarHBondContact N-OG 3.22Å
94S96.3Very high96.5Very high5 Ų512.5 Ų12.54%0.0358%0.075CC..Hα-helixtrans-62.5-42.4176.3-64.10000112.8L51 L90 T91 Q92 A97 L98L51-S94 WeakPolarHBondContact CD1-OG 3.28Å; L90-S94 PolarHBondContact O-N 2.9Å; L90-S94 PolarHBondContact O-OG 3.37Å; T91-S94 PolarHBondContact O-N 3.48Å; Q92-S94 VanDerWaalsContact C-N 3.32Å; Q92-S94 PolarHBondContact O-N 2.94Å; S94-A97 PolarHBondContact O-N 3.24Å; S94-L98 WeakPolarHBondContact O-CB 3Å; S94-L98 VanDerWaalsContact O-CG 3.3Å; S94-L98 WeakPolarHBondContact O-CG 3.38Å; S94-L98 PolarHBondContact O-N 3.03Å
95I96.9Very high96.3Very high1 Ų112.6 Ų12.61%0.0057%0.074CC..Hα-helixtrans-61.2-48.8176.9-66.6165.9000110.9T91 Q92 S93 L98 L99 V189 P192 F243T91-I95 HydrophobicContact CG2-CD1 4.19Å; T91-I95 WeakPolarHBondContact O-CG1 3.22Å; T91-I95 PolarHBondContact O-N 2.91Å; Q92-I95 PolarHBondContact O-N 3.21Å; S93-I95 PolarHBondContact O-N 3.1Å; I95-L98 PolarHBondContact O-N 2.89Å; I95-L99 PolarHBondContact O-N 3.43Å; I95-V189 HydrophobicContact CD1-CB 4.25Å; I95-V189 HydrophobicContact CD1-CG1 4.31Å; I95-V189 HydrophobicContact CD1-CG2 3.65Å; I95-P192 HydrophobicContact CG2-CB 3.64Å; I95-P192 HydrophobicContact CG2-CG 4.2Å; I95-F243 HydrophobicContact CD1-CE1 4.4Å; I95-F243 HydrophobicContact CD1-CZ 4.12Å; I95-F243 HydrophobicContact CG1-CE1 3.72Å; I95-F243 HydrophobicContact CG1-CE2 4.37Å; I95-F243 HydrophobicContact CG1-CZ 3.37Å
96L97.6Very high96.2Very high16 Ų1615.5 Ų15.58%0.0849%0.085CC..Hα-helixtrans-69-34.7-178.4-65175.1000111.8Q92 S93 L99 A100 C131 L134Q92-L96 HydrophobicContact CG-CD1 4.18Å; Q92-L96 WeakPolarHBondContact O-CG 3.47Å; Q92-L96 PolarHBondContact O-N 3.5Å; S93-L96 PolarHBondContact O-N 2.84Å; L96-L99 PolarHBondContact O-N 3.41Å; L96-A100 WeakPolarHBondContact O-CB 3.43Å; L96-A100 PolarHBondContact O-N 3.27Å; L96-C131 HydrophobicContact CB-CB 3.82Å; L96-C131 HydrophobicContact CD1-CB 4.29Å; L96-C131 WeakPolarHBondContact CD1-O 2.98Å; L96-L134 HydrophobicContact CD1-CB 3.92Å; L96-L134 HydrophobicContact CD1-CD2 3.88Å; L96-L134 HydrophobicContact CD1-CG 4.06Å; L96-L134 HydrophobicContact CD2-CD2 4.36Å
97A96.1Very high96Very high1 Ų116.3 Ų16.31%0.0089%0.087CC..Hα-helixtrans-64.7-43.7172.800000111.9L51 S93 S94 L99 A100 I101L51-A97 HydrophobicContact CB-CB 4.12Å; L51-A97 HydrophobicContact CD1-CB 4.47Å; S93-A97 VanDerWaalsContact O-CB 3.28Å; S93-A97 WeakPolarHBondContact O-CB 3.47Å; S93-A97 PolarHBondContact O-N 3.31Å; S94-A97 PolarHBondContact O-N 3.24Å; A97-L99 VanDerWaalsContact C-N 3.34Å; A97-L99 PolarHBondContact O-N 3.13Å; A97-A100 PolarHBondContact O-N 2.88Å; A97-I101 VanDerWaalsContact O-CG1 3.27Å; A97-I101 WeakPolarHBondContact O-CG1 3.31Å; A97-I101 PolarHBondContact O-N 3.42Å
98L95.1Very high95.8Very high9 Ų915.6 Ų15.65%0.0478%0.081CC..Hα-helixtrans-62.7-40.2174.8-73.1171.2000111.9L51 S94 I95 I101 A102 M196 I239 F243L51-L98 HydrophobicContact CD2-CD2 3.93Å; L51-L98 HydrophobicContact CD2-CG 4.37Å; S94-L98 WeakPolarHBondContact O-CB 3Å; S94-L98 VanDerWaalsContact O-CG 3.3Å; S94-L98 WeakPolarHBondContact O-CG 3.38Å; S94-L98 PolarHBondContact O-N 3.03Å; I95-L98 PolarHBondContact O-N 2.89Å; L98-I101 WeakPolarHBondContact O-CB 3.14Å; L98-I101 PolarHBondContact O-N 3.4Å; L98-A102 PolarHBondContact O-N 2.97Å; L98-M196 HydrophobicContact CB-CE 4.27Å; L98-M196 HydrophobicContact CB-SD 3.59Å; L98-M196 VanDerWaalsContact CB-SD 3.59Å; L98-I239 HydrophobicContact CD2-CG2 3.75Å; L98-F243 HydrophobicContact CD1-CB 3.95Å; L98-F243 HydrophobicContact CD1-CD1 4.19Å; L98-F243 HydrophobicContact CD1-CD2 3.53Å; L98-F243 HydrophobicContact CD1-CE2 4.1Å; L98-F243 HydrophobicContact CD1-CG 3.6Å
99L97.4Very high95.5Very high32 Ų3215.6 Ų15.617%0.1688%0.082CC..Hα-helixtrans-63.8-44.2175.4177.861.6000111.2I95 L96 A97 I101 A102 V103 P192 L195 M196 I199I95-L99 PolarHBondContact O-N 3.43Å; L96-L99 PolarHBondContact O-N 3.41Å; A97-L99 VanDerWaalsContact C-N 3.34Å; A97-L99 PolarHBondContact O-N 3.13Å; L99-I101 VanDerWaalsContact C-N 3.31Å; L99-I101 PolarHBondContact O-N 3.03Å; L99-A102 WeakPolarHBondContact O-CB 3.29Å; L99-A102 PolarHBondContact O-N 3.35Å; L99-A102 VanDerWaalsContact O-N 3.15Å; L99-V103 HydrophobicContact CD1-CG2 4.37Å; L99-V103 WeakPolarHBondContact O-CG2 3.46Å; L99-V103 PolarHBondContact O-N 3.17Å; L99-P192 HydrophobicContact CD2-CB 4.4Å; L99-L195 HydrophobicContact CD1-CB 4.48Å; L99-L195 HydrophobicContact CD1-CD2 3.8Å; L99-L195 HydrophobicContact CD1-CG 3.99Å; L99-L195 HydrophobicContact CD2-CD2 4.36Å; L99-M196 VanDerWaalsContact CA-SD 3.56Å; L99-M196 HydrophobicContact CB-CG 4.1Å; L99-M196 HydrophobicContact CB-SD 4.11Å; L99-M196 HydrophobicContact CD1-CG 3.65Å; L99-M196 HydrophobicContact CG-CG 4.5Å; L99-M196 PolarHBondContact N-SD 3.47Å; L99-I199 HydrophobicContact CD1-CD1 4.11Å
100A96.3Very high95.2Very high17 Ų1719.4 Ų19.414%0.1410%0.098CC..Hα-helixtrans-61.4-39.4175.700000112F47 L96 A97 V103 D104F47-A100 HydrophobicContact CD1-CB 3.62Å; F47-A100 HydrophobicContact CD2-CB 4.36Å; F47-A100 HydrophobicContact CE1-CB 3.59Å; F47-A100 HydrophobicContact CE2-CB 4.34Å; F47-A100 HydrophobicContact CG-CB 4.03Å; F47-A100 HydrophobicContact CZ-CB 3.97Å; L96-A100 WeakPolarHBondContact O-CB 3.43Å; L96-A100 PolarHBondContact O-N 3.27Å; A97-A100 PolarHBondContact O-N 2.88Å; A100-V103 PolarHBondContact O-N 3.41Å; A100-D104 WeakPolarHBondContact O-CB 3.4Å; A100-D104 PolarHBondContact O-N 3.31Å
101I94.6Very high94.9Very high2 Ų221.4 Ų21.41%0.0111%0.108CC..Hα-helixtrans-61.3-45.3172.7-69.9164.8000110.7T44 F47 I48 L51 A97 L98 L99 D104 R105 L236T44-I101 HydrophobicContact CG2-CG2 4.23Å; F47-I101 HydrophobicContact CB-CD1 4.15Å; F47-I101 HydrophobicContact CB-CG1 3.55Å; F47-I101 HydrophobicContact CG-CG1 4.43Å; I48-I101 HydrophobicContact CG1-CD1 3.97Å; L51-I101 HydrophobicContact CD2-CD1 4.43Å; A97-I101 VanDerWaalsContact O-CG1 3.27Å; A97-I101 WeakPolarHBondContact O-CG1 3.31Å; A97-I101 PolarHBondContact O-N 3.42Å; L98-I101 WeakPolarHBondContact O-CB 3.14Å; L98-I101 PolarHBondContact O-N 3.4Å; L99-I101 VanDerWaalsContact C-N 3.31Å; L99-I101 PolarHBondContact O-N 3.03Å; I101-D104 PolarHBondContact O-N 3.33Å; I101-R105 VanDerWaalsContact O-CG 3.31Å; I101-R105 WeakPolarHBondContact O-CG 3.39Å; I101-R105 PolarHBondContact O-N 3.47Å; I101-L236 HydrophobicContact CG2-CD1 3.95Å; I101-L236 HydrophobicContact CG2-CD2 4.09Å; I101-L236 HydrophobicContact CG2-CG 4.46Å
102A95.3Very high94.6Very high0 Ų023.7 Ų23.70%012%0.123CC..Hα-helixtrans-61.7-45.1178.400000111.7L98 L99 R105 Y106 M196 I199 Y200L98-A102 PolarHBondContact O-N 2.97Å; L99-A102 WeakPolarHBondContact O-CB 3.29Å; L99-A102 PolarHBondContact O-N 3.35Å; L99-A102 VanDerWaalsContact O-N 3.15Å; A102-R105 PolarHBondContact O-N 3.37Å; A102-Y106 PolarHBondContact O-N 3.25Å; A102-M196 HydrophobicContact CB-CB 4.43Å; A102-M196 HydrophobicContact CB-CG 4Å; A102-I199 HydrophobicContact CB-CB 4.47Å; A102-I199 HydrophobicContact CB-CD1 4.46Å; A102-I199 HydrophobicContact CB-CG2 4.01Å; A102-I199 WeakPolarHBondContact O-CG2 3.29Å; A102-Y200 HydrophobicContact CB-CD2 4.43Å; A102-Y200 HydrophobicContact CB-CE2 3.81Å
103V96.2Very high94.2Very high59 Ų5931.5 Ų31.536%0.35816%0.164SC..Hα-helixtrans-63.9-44.1176.5173.40000111.6L99 A100 R105 Y106 L107 I199L99-V103 HydrophobicContact CD1-CG2 4.37Å; L99-V103 WeakPolarHBondContact O-CG2 3.46Å; L99-V103 PolarHBondContact O-N 3.17Å; A100-V103 PolarHBondContact O-N 3.41Å; V103-R105 VanDerWaalsContact C-N 3.31Å; V103-R105 PolarHBondContact O-N 2.93Å; V103-Y106 WeakPolarHBondContact O-CB 3.3Å; V103-Y106 PolarHBondContact O-N 3.33Å; V103-L107 HydrophobicContact CG1-CD1 4.07Å; V103-L107 HydrophobicContact CG1-CG 4.33Å; V103-L107 WeakPolarHBondContact O-CG 3.47Å; V103-L107 PolarHBondContact O-N 2.91Å; V103-I199 HydrophobicContact CG2-CD1 3.83Å
104D93.5Very high93.9Very high4 Ų439.8 Ų39.82%0.02120%0.195CC..Hα-helixtrans-57.1-44.7174.9163.790.4000111.5T44 F47 A100 I101 Y106 L107 R108 Y115T44-D104 PolarHBondContact OG1-OD2 3.2Å; F47-D104 HydrophobicContact CE2-CB 4.43Å; A100-D104 WeakPolarHBondContact O-CB 3.4Å; A100-D104 PolarHBondContact O-N 3.31Å; I101-D104 PolarHBondContact O-N 3.33Å; D104-Y106 PolarHBondContact O-N 3.04Å; D104-L107 PolarHBondContact O-N 3.32Å; D104-R108 VanDerWaalsContact CG-NE 3.34Å; D104-R108 WeakPolarHBondContact O-CG 3.44Å; D104-R108 PolarHBondContact O-N 3.45Å; D104-R108 VanDerWaalsContact O-N 3.1Å; D104-R108 IonicContact OD1-CZ 2.73Å; D104-R108 IonicContact OD1-NE 3.76Å; D104-R108 PolarHBondContact OD1-NE 2.89Å; D104-R108 IonicContact OD1-NH2 3.3Å; D104-R108 PolarHBondContact OD1-NH2 3.06Å; D104-R108 IonicContact OD2-CZ 3.68Å; D104-R108 IonicContact OD2-NE 3.21Å; D104-R108 PolarHBondContact OD2-NE 2.9Å; D104-R108 IonicContact OD2-NH2 3.05Å; D104-Y115 PolarHBondContact OD1-OH 3.07Å
105R91.4Very high93.7Very high12 Ų1240.4 Ų40.45%0.04520%0.197CC..Hα-helixtrans-61.9-43.1176.2-72.9-61.299.6-176.120.9112.2T44 I101 A102 V103 R108 V109 E229 L236T44-R105 PolarHBondContact OG1-NH2 3.06Å; I101-R105 VanDerWaalsContact O-CG 3.31Å; I101-R105 WeakPolarHBondContact O-CG 3.39Å; I101-R105 PolarHBondContact O-N 3.47Å; A102-R105 PolarHBondContact O-N 3.37Å; V103-R105 VanDerWaalsContact C-N 3.31Å; V103-R105 PolarHBondContact O-N 2.93Å; R105-R108 PolarHBondContact O-N 3.05Å; R105-V109 PolarHBondContact O-N 2.94Å; R105-E229 IonicContact CZ-OE2 3.38Å; R105-E229 IonicContact NH1-OE1 3.3Å; R105-E229 IonicContact NH1-OE2 3.42Å; R105-E229 PolarHBondContact NH1-OE2 3.26Å; R105-L236 HydrophobicContact CG-CD1 3.5Å
106Y94.6Very high93.4Very high62 Ų6249 Ų4924%0.24323%0.234CC..Hα-helixtrans-58.5-49.6174.7177.1-104.1000112.3A102 V103 D104 R108 V109 K110 I199 E202 V203 L206A102-Y106 PolarHBondContact O-N 3.25Å; V103-Y106 WeakPolarHBondContact O-CB 3.3Å; V103-Y106 PolarHBondContact O-N 3.33Å; D104-Y106 PolarHBondContact O-N 3.04Å; Y106-R108 VanDerWaalsContact C-N 3.3Å; Y106-R108 PolarHBondContact O-N 2.93Å; Y106-V109 PolarHBondContact O-N 2.86Å; Y106-K110 HydrophobicContact CE1-CB 4.15Å; Y106-K110 HydrophobicContact CE1-CG 4.15Å; Y106-K110 HydrophobicContact CE2-CB 4.3Å; Y106-K110 HydrophobicContact CE2-CD 4.46Å; Y106-K110 HydrophobicContact CE2-CG 4.48Å; Y106-K110 VanDerWaalsContact O-CB 3.23Å; Y106-K110 WeakPolarHBondContact O-CB 3.27Å; Y106-K110 PolarHBondContact O-N 3.31Å; Y106-I199 HydrophobicContact CG-CG2 4.45Å; Y106-E202 HydrophobicContact CD2-CG 4.2Å; Y106-E202 HydrophobicContact CE2-CB 4.46Å; Y106-E202 HydrophobicContact CE2-CG 3.57Å; Y106-V203 HydrophobicContact CD2-CG2 4.21Å; Y106-L206 HydrophobicContact CE2-CD1 4.02Å
107L94.4Very high93Very high43 Ų4354.5 Ų54.523%0.22526%0.261CS..Hα-helixtrans-61.4-38.9-178.4-68.2173.7000112V103 D104 V109 K110 I111 Y115 V119V103-L107 HydrophobicContact CG1-CD1 4.07Å; V103-L107 HydrophobicContact CG1-CG 4.33Å; V103-L107 WeakPolarHBondContact O-CG 3.47Å; V103-L107 PolarHBondContact O-N 2.91Å; D104-L107 PolarHBondContact O-N 3.32Å; L107-V109 PolarHBondContact O-N 2.91Å; L107-K110 PolarHBondContact O-N 2.95Å; L107-I111 HydrophobicContact CB-CG1 4.48Å; L107-I111 HydrophobicContact CD2-CD1 4.11Å; L107-I111 HydrophobicContact CD2-CG1 4.46Å; L107-I111 WeakPolarHBondContact O-CG1 3.39Å; L107-I111 PolarHBondContact O-N 3.34Å; L107-Y115 HydrophobicContact CB-CD2 4.24Å; L107-V119 HydrophobicContact CB-CG2 4.45Å; L107-V119 HydrophobicContact CD1-CG2 3.71Å
108R90.8Very high92.9Very high14 Ų1457 Ų575%0.05328%0.276CS..Hα-helixtrans-62-42.3177.4-71.9169-169.6-104.77.7112.9D42 T44 D104 R105 Y106 Y115D42-R108 VanDerWaalsContact CG-NH1 3.31Å; D42-R108 IonicContact OD1-CZ 2.79Å; D42-R108 IonicContact OD1-NH1 2.91Å; D42-R108 PolarHBondContact OD1-NH1 2.95Å; D42-R108 IonicContact OD1-NH2 3.48Å; D42-R108 PolarHBondContact OD1-NH2 3.21Å; D42-R108 IonicContact OD2-CZ 2.71Å; D42-R108 IonicContact OD2-NH1 3.56Å; D42-R108 PolarHBondContact OD2-NH1 3.35Å; D42-R108 IonicContact OD2-NH2 3.03Å; D42-R108 PolarHBondContact OD2-NH2 3.4Å; T44-R108 PolarHBondContact OG1-NH2 3.41Å; D104-R108 VanDerWaalsContact CG-NE 3.34Å; D104-R108 WeakPolarHBondContact O-CG 3.44Å; D104-R108 PolarHBondContact O-N 3.45Å; D104-R108 VanDerWaalsContact O-N 3.1Å; D104-R108 IonicContact OD1-CZ 2.73Å; D104-R108 IonicContact OD1-NE 3.76Å; D104-R108 PolarHBondContact OD1-NE 2.89Å; D104-R108 IonicContact OD1-NH2 3.3Å; D104-R108 PolarHBondContact OD1-NH2 3.06Å; D104-R108 IonicContact OD2-CZ 3.68Å; D104-R108 IonicContact OD2-NE 3.21Å; D104-R108 PolarHBondContact OD2-NE 2.9Å; D104-R108 IonicContact OD2-NH2 3.05Å; R105-R108 PolarHBondContact O-N 3.05Å; Y106-R108 VanDerWaalsContact C-N 3.3Å; Y106-R108 PolarHBondContact O-N 2.93Å; R108-Y115 HydrophobicContact CB-CD2 4.24Å; R108-Y115 HydrophobicContact CB-CE2 4.44Å; R108-Y115 HydrophobicContact CG-CD1 4.14Å; R108-Y115 HydrophobicContact CG-CD2 3.38Å; R108-Y115 HydrophobicContact CG-CE1 4.02Å; R108-Y115 HydrophobicContact CG-CE2 3.22Å; R108-Y115 HydrophobicContact CG-CG 3.87Å; R108-Y115 PolarHBondContact NE-OH 2.95Å; R108-Y115 PolarHBondContact NH2-OH 3.35Å
109V91.1Very high92.8Very high8 Ų857.8 Ų57.85%0.04828%0.281CS..Hα-helixtrans-77.3-37.5-179.7174.50000111.4R105 Y106 L107 V203 L206 I207R105-V109 PolarHBondContact O-N 2.94Å; Y106-V109 PolarHBondContact O-N 2.86Å; L107-V109 PolarHBondContact O-N 2.91Å; V109-V203 HydrophobicContact CG2-CG1 4.31Å; V109-L206 HydrophobicContact CG1-CB 3.66Å; V109-L206 HydrophobicContact CG1-CD1 4.28Å; V109-I207 HydrophobicContact CG1-CG1 3.82Å; V109-I207 HydrophobicContact CG2-CD1 4.07Å; V109-I207 HydrophobicContact CG2-CG1 4.01Å
110K92.4Very high92.6Very high100 Ų10058.2 Ų58.244%0.43529%0.285SS..Hα-helixtrans-76.4-41.7-175.4-173.666.4173.5-168.10113Y106 L107 L206Y106-K110 HydrophobicContact CE1-CB 4.15Å; Y106-K110 HydrophobicContact CE1-CG 4.15Å; Y106-K110 HydrophobicContact CE2-CB 4.3Å; Y106-K110 HydrophobicContact CE2-CD 4.46Å; Y106-K110 HydrophobicContact CE2-CG 4.48Å; Y106-K110 VanDerWaalsContact O-CB 3.23Å; Y106-K110 WeakPolarHBondContact O-CB 3.27Å; Y106-K110 PolarHBondContact O-N 3.31Å; L107-K110 PolarHBondContact O-N 2.95Å; K110-L206 HydrophobicContact CB-CD1 4.41Å; K110-L206 HydrophobicContact CD-CD1 3.85Å
111I91.8Very high92.2Very high55 Ų5562.6 Ų62.628%0.28231%0.312SS..  trans-131.557-173.155.3166.7000112.9L107 L113 R114 Y115 V118L107-I111 HydrophobicContact CB-CG1 4.48Å; L107-I111 HydrophobicContact CD2-CD1 4.11Å; L107-I111 HydrophobicContact CD2-CG1 4.46Å; L107-I111 WeakPolarHBondContact O-CG1 3.39Å; L107-I111 PolarHBondContact O-N 3.34Å; I111-L113 VanDerWaalsContact C-N 3.27Å; I111-L113 PolarHBondContact O-N 2.91Å; I111-L113 VanDerWaalsContact O-N 3.11Å; I111-R114 PolarHBondContact O-N 3.47Å; I111-Y115 WeakPolarHBondContact O-CB 3.24Å; I111-Y115 PolarHBondContact O-N 3.23Å; I111-V118 HydrophobicContact CD1-CB 4.3Å; I111-V118 HydrophobicContact CD1-CG1 4.39Å; I111-V118 HydrophobicContact CD1-CG2 3.97Å
112P88.8Confident92Very high56 Ų5672.6 Ų72.636%0.36435%0.349SS..THydrogen-bonded Turntrans-56.5-36.3-171.322.3-34.3000114.1
113L88.9Confident92Very high166 Ų16679.8 Ų79.887%0.86938%0.377SS*.THydrogen-bonded Turntrans-71.9-32.7-179.1-60.6178.1000113.4I111I111-L113 VanDerWaalsContact C-N 3.27Å; I111-L113 PolarHBondContact O-N 2.91Å; I111-L113 VanDerWaalsContact O-N 3.11Å
114R92.5Very high91.8Very high174 Ų17477.2 Ų77.266%0.65736%0.361SS*.THydrogen-bonded Turntrans-100.6-8.8-177.5-61.3-174.2-178.6-179.8-0.3112.9I111 K116 M117 V118I111-R114 PolarHBondContact O-N 3.47Å; R114-K116 VanDerWaalsContact C-N 3.35Å; R114-K116 PolarHBondContact O-N 2.88Å; R114-M117 HydrophobicContact CB-CE 3.96Å; R114-M117 HydrophobicContact CG-CE 3.79Å; R114-M117 WeakPolarHBondContact O-CB 3.43Å; R114-M117 PolarHBondContact O-N 3.19Å; R114-V118 HydrophobicContact CB-CG2 4.37Å; R114-V118 WeakPolarHBondContact O-CG2 3.1Å; R114-V118 PolarHBondContact O-N 3.18Å
115Y92.1Very high91.8Very high18 Ų1879.7 Ų79.77%0.07138%0.383CS..Hα-helixtrans-49.7-50.6-174.4170.7-97.5000112.8D104 L107 R108 I111 M117 V118 V119D104-Y115 PolarHBondContact OD1-OH 3.07Å; L107-Y115 HydrophobicContact CB-CD2 4.24Å; R108-Y115 HydrophobicContact CB-CD2 4.24Å; R108-Y115 HydrophobicContact CB-CE2 4.44Å; R108-Y115 HydrophobicContact CG-CD1 4.14Å; R108-Y115 HydrophobicContact CG-CD2 3.38Å; R108-Y115 HydrophobicContact CG-CE1 4.02Å; R108-Y115 HydrophobicContact CG-CE2 3.22Å; R108-Y115 HydrophobicContact CG-CG 3.87Å; R108-Y115 PolarHBondContact NE-OH 2.95Å; R108-Y115 PolarHBondContact NH2-OH 3.35Å; I111-Y115 WeakPolarHBondContact O-CB 3.24Å; I111-Y115 PolarHBondContact O-N 3.23Å; Y115-M117 PolarHBondContact O-N 3.39Å; Y115-V118 PolarHBondContact O-N 3.12Å; Y115-V118 VanDerWaalsContact O-N 3.12Å; Y115-V119 HydrophobicContact CD2-CB 4.2Å; Y115-V119 HydrophobicContact CD2-CG2 3.89Å; Y115-V119 HydrophobicContact CE2-CB 3.56Å; Y115-V119 HydrophobicContact CE2-CG1 4.04Å; Y115-V119 HydrophobicContact CE2-CG2 3.46Å; Y115-V119 VanDerWaalsContact CE2-CG2 3.46Å; Y115-V119 PolarHBondContact O-N 3.32Å; Y115-V119 WeakPolarHBondContact OH-CG1 3.43Å
116K89.3Confident92Very high182 Ų18283.8 Ų83.879%0.79141%0.409SS*.Hα-helixtrans-64.7-24.6-179-69.2-171.8176.2-177.30114.1R114R114-K116 VanDerWaalsContact C-N 3.35Å; R114-K116 PolarHBondContact O-N 2.88Å
117M91.2Very high92.1Very high131 Ų13182.8 Ų82.865%0.64541%0.413SS*.Hα-helixtrans-83.8-31.5175.4-61.8-176.2-72.500111.8R114 Y115R114-M117 HydrophobicContact CB-CE 3.96Å; R114-M117 HydrophobicContact CG-CE 3.79Å; R114-M117 WeakPolarHBondContact O-CB 3.43Å; R114-M117 PolarHBondContact O-N 3.19Å; Y115-M117 PolarHBondContact O-N 3.39Å
118V93.4Very high92.2Very high54 Ų5482.3 Ų82.333%0.32741%0.41SS..Hα-helixtrans-82.2-49.8-178.5174.90000111.3I111 R114 Y115 R123I111-V118 HydrophobicContact CD1-CB 4.3Å; I111-V118 HydrophobicContact CD1-CG1 4.39Å; I111-V118 HydrophobicContact CD1-CG2 3.97Å; R114-V118 HydrophobicContact CB-CG2 4.37Å; R114-V118 WeakPolarHBondContact O-CG2 3.1Å; R114-V118 PolarHBondContact O-N 3.18Å; Y115-V118 PolarHBondContact O-N 3.12Å; Y115-V118 VanDerWaalsContact O-N 3.12Å; V118-R123 VanDerWaalsContact O-CD 3.29Å; V118-R123 WeakPolarHBondContact O-CD 3.47Å; V118-R123 PolarHBondContact O-NH1 3.44Å
119V93.8Very high92.6Very high25 Ų2583.9 Ų83.915%0.15243%0.427CS..SBendtrans-99.697.4-176.5-175.30000109A43 L107 Y115A43-V119 HydrophobicContact CB-CG1 3.56Å; L107-V119 HydrophobicContact CB-CG2 4.45Å; L107-V119 HydrophobicContact CD1-CG2 3.71Å; Y115-V119 HydrophobicContact CD2-CB 4.2Å; Y115-V119 HydrophobicContact CD2-CG2 3.89Å; Y115-V119 HydrophobicContact CE2-CB 3.56Å; Y115-V119 HydrophobicContact CE2-CG1 4.04Å; Y115-V119 HydrophobicContact CE2-CG2 3.46Å; Y115-V119 VanDerWaalsContact CE2-CG2 3.46Å; Y115-V119 PolarHBondContact O-N 3.32Å; Y115-V119 WeakPolarHBondContact OH-CG1 3.43Å
120T92.1Very high92.9Very high41 Ų4185.1 Ų85.125%0.25244%0.441SS..  trans-108.1156.3179.964.80000111R122 R123 A124T120-R122 VanDerWaalsContact C-N 3.27Å; T120-R122 PolarHBondContact O-N 3.49Å; T120-R123 PolarHBondContact O-N 3.22Å; T120-R123 VanDerWaalsContact O-N 3.12Å; T120-R123 WeakPolarHBondContact OG1-CG 3.36Å; T120-R123 PolarHBondContact OG1-N 2.87Å; T120-A124 PolarHBondContact O-N 3.21Å
121P88Confident93.2Very high108 Ų10881.2 Ų81.270%0.70143%0.426SS*.Hα-helixtrans-55.6-40178.7-27.135.1000113.5A124 A125P121-A124 PolarHBondContact O-N 3.49Å; P121-A125 WeakPolarHBondContact O-CB 3.45Å; P121-A125 PolarHBondContact O-N 2.8Å
122R90.9Very high93.5Very high212 Ų21281.9 Ų81.980%0.843%0.425SS*.Hα-helixtrans-62.5-45177.1-175.2177.6176.9178.10.1111.8T120 A125 V126T120-R122 VanDerWaalsContact C-N 3.27Å; T120-R122 PolarHBondContact O-N 3.49Å; R122-A125 PolarHBondContact O-N 2.99Å; R122-V126 WeakPolarHBondContact O-CG2 3.49Å; R122-V126 PolarHBondContact O-N 3.32Å
123R94.4Very high94Very high152 Ų15284.4 Ų84.457%0.57444%0.435SS*.Hα-helixtrans-66.6-38.2177.3-71.9177.1178.2175.6-1.4111.7V118 T120 V126 A127V118-R123 VanDerWaalsContact O-CD 3.29Å; V118-R123 WeakPolarHBondContact O-CD 3.47Å; V118-R123 PolarHBondContact O-NH1 3.44Å; T120-R123 PolarHBondContact O-N 3.22Å; T120-R123 VanDerWaalsContact O-N 3.12Å; T120-R123 WeakPolarHBondContact OG1-CG 3.36Å; T120-R123 PolarHBondContact OG1-N 2.87Å; R123-V126 PolarHBondContact O-N 3.39Å; R123-A127 WeakPolarHBondContact O-CB 3.44Å; R123-A127 PolarHBondContact O-N 3.26Å
124A92.9Very high94.4Very high4 Ų479.2 Ų79.23%0.03341%0.408CS..Hα-helixtrans-63-43.2174.400000111.6A43 F47 T120 P121 A127 I128A43-A124 HydrophobicContact CB-CB 4.42Å; F47-A124 HydrophobicContact CE2-CB 4.48Å; F47-A124 HydrophobicContact CZ-CB 4.16Å; T120-A124 PolarHBondContact O-N 3.21Å; P121-A124 PolarHBondContact O-N 3.49Å; A124-A127 PolarHBondContact O-N 2.85Å; A124-I128 VanDerWaalsContact O-CG1 3.32Å; A124-I128 WeakPolarHBondContact O-CG1 3.48Å; A124-I128 PolarHBondContact O-N 2.88Å
125A92.8Very high94.7Very high57 Ų5771 Ų7147%0.47138%0.376SS..Hα-helixtrans-62.8-43.3175.500000112.5P121 R122 A127 I128 A129P121-A125 WeakPolarHBondContact O-CB 3.45Å; P121-A125 PolarHBondContact O-N 2.8Å; R122-A125 PolarHBondContact O-N 2.99Å; A125-A127 VanDerWaalsContact C-N 3.33Å; A125-A127 PolarHBondContact O-N 3.33Å; A125-I128 PolarHBondContact O-N 3.21Å; A125-A129 PolarHBondContact O-N 3Å
126V96.4Very high95Very high97 Ų9773.8 Ų73.859%0.58839%0.392SS*.Hα-helixtrans-61.1-42.7173.9171.20000111.1R122 R123 A129 G130R122-V126 WeakPolarHBondContact O-CG2 3.49Å; R122-V126 PolarHBondContact O-N 3.32Å; R123-V126 PolarHBondContact O-N 3.39Å; V126-A129 PolarHBondContact O-N 3.23Å; V126-G130 PolarHBondContact O-N 3.31Å
127A96.3Very high95.4Very high41 Ų4168.9 Ų68.934%0.33938%0.377SS..Hα-helixtrans-62.3-44.6176.600000111.7F47 R123 A124 A125 G130 C131F47-A127 HydrophobicContact CE1-CB 4.09Å; F47-A127 HydrophobicContact CZ-CB 4.21Å; R123-A127 WeakPolarHBondContact O-CB 3.44Å; R123-A127 PolarHBondContact O-N 3.26Å; A124-A127 PolarHBondContact O-N 2.85Å; A125-A127 VanDerWaalsContact C-N 3.33Å; A125-A127 PolarHBondContact O-N 3.33Å; A127-G130 PolarHBondContact O-N 3.21Å; A127-C131 PolarHBondContact O-N 3.27Å; A127-C131 PolarHBondContact O-SG 3.28Å
128I97.1Very high95.8Very high33 Ų3362.7 Ų62.717%0.16935%0.347CS..Hα-helixtrans-59.2-48.9175.3-70.1165.4000110.7C46 F47 A124 A125 G130 C131 W132C46-I128 HydrophobicContact CB-CD1 3.95Å; F47-I128 HydrophobicContact CD1-CD1 4.05Å; F47-I128 HydrophobicContact CD1-CG1 3.55Å; F47-I128 HydrophobicContact CE1-CD1 4.27Å; F47-I128 HydrophobicContact CE1-CG1 3.61Å; A124-I128 VanDerWaalsContact O-CG1 3.32Å; A124-I128 WeakPolarHBondContact O-CG1 3.48Å; A124-I128 PolarHBondContact O-N 2.88Å; A125-I128 PolarHBondContact O-N 3.21Å; I128-G130 VanDerWaalsContact C-N 3.28Å; I128-G130 PolarHBondContact O-N 3.46Å; I128-C131 WeakPolarHBondContact O-CB 3.16Å; I128-C131 PolarHBondContact O-N 3.41Å; I128-C131 VanDerWaalsContact O-N 3.1Å; I128-W132 VanDerWaalsContact O-CD1 3.26Å; I128-W132 PolarHBondContact O-N 2.92Å
129A97.7Very high96Very high48 Ų4860.1 Ų60.140%0.39733%0.331SS..Hα-helixtrans-58.6-42.5177.400000111.5A125 V126 C131 W132 I133A125-A129 PolarHBondContact O-N 3Å; V126-A129 PolarHBondContact O-N 3.23Å; A129-C131 PolarHBondContact O-N 3.02Å; A129-W132 PolarHBondContact O-N 3Å; A129-I133 VanDerWaalsContact O-CG1 3.28Å; A129-I133 WeakPolarHBondContact O-CG1 3.22Å; A129-I133 PolarHBondContact O-N 3.47Å
130G98.2Very high96.2Very high34 Ų3461.5 Ų61.535%0.35134%0.337SS..Hα-helixtrans-59.1-43173.300000112.9V126 A127 I128 W132 I133 L134V126-G130 PolarHBondContact O-N 3.31Å; A127-G130 PolarHBondContact O-N 3.21Å; I128-G130 VanDerWaalsContact C-N 3.28Å; I128-G130 PolarHBondContact O-N 3.46Å; G130-W132 PolarHBondContact O-N 3.06Å; G130-I133 PolarHBondContact O-N 3.49Å; G130-L134 VanDerWaalsContact O-CB 3.32Å; G130-L134 WeakPolarHBondContact O-CB 3.31Å; G130-L134 PolarHBondContact O-N 2.99Å
131C98.1Very high96.5Very high18 Ų1860.6 Ų60.612%0.12233%0.332CS..Hα-helixtrans-59.7-45.8175.3-64.50000111.7L96 A127 I128 A129 L134 S135L96-C131 HydrophobicContact CB-CB 3.82Å; L96-C131 HydrophobicContact CD1-CB 4.29Å; L96-C131 WeakPolarHBondContact CD1-O 2.98Å; A127-C131 PolarHBondContact O-N 3.27Å; A127-C131 PolarHBondContact O-SG 3.28Å; I128-C131 WeakPolarHBondContact O-CB 3.16Å; I128-C131 PolarHBondContact O-N 3.41Å; I128-C131 VanDerWaalsContact O-N 3.1Å; A129-C131 PolarHBondContact O-N 3.02Å; C131-L134 PolarHBondContact O-N 3.23Å; C131-S135 VanDerWaalsContact O-CB 3.31Å; C131-S135 WeakPolarHBondContact O-CB 3.22Å; C131-S135 PolarHBondContact O-N 3.28Å; C131-S135 PolarHBondContact O-OG 3.46Å
132W98.6Very high97Very high68 Ų6855.4 Ų55.426%0.25830%0.298SS..Hα-helixtrans-65.8-44.3178.7-79.999.1000112.6S50 V53 A54 L90 S93 I128 A129 G130 L134 S135 L136S50-W132 PolarHBondContact OG-NE1 3.07Å; V53-W132 HydrophobicContact CG1-CH2 4.3Å; V53-W132 HydrophobicContact CG1-CZ2 4.03Å; A54-W132 HydrophobicContact CB-CH2 4.24Å; A54-W132 HydrophobicContact CB-CZ2 4.48Å; L90-W132 HydrophobicContact CD2-CH2 4.05Å; L90-W132 HydrophobicContact CD2-CZ3 4.06Å; S93-W132 WeakPolarHBondContact OG-CZ2 3.31Å; I128-W132 VanDerWaalsContact O-CD1 3.26Å; I128-W132 PolarHBondContact O-N 2.92Å; A129-W132 PolarHBondContact O-N 3Å; G130-W132 PolarHBondContact O-N 3.06Å; W132-L134 VanDerWaalsContact C-N 3.34Å; W132-L134 PolarHBondContact O-N 3.5Å; W132-S135 WeakPolarHBondContact O-CB 3.37Å; W132-S135 PolarHBondContact O-N 3.41Å; W132-L136 WeakPolarHBondContact O-CG 3.16Å; W132-L136 PolarHBondContact O-N 3.4Å
133I98.6Very high97.3Very high110 Ų11048.9 Ų48.956%0.56428%0.278SS*.Hα-helixtrans-59.5-47.9176.8-69165.5000110.1A129 G130 S135 L136 V137A129-I133 VanDerWaalsContact O-CG1 3.28Å; A129-I133 WeakPolarHBondContact O-CG1 3.22Å; A129-I133 PolarHBondContact O-N 3.47Å; G130-I133 PolarHBondContact O-N 3.49Å; I133-S135 VanDerWaalsContact C-N 3.28Å; I133-S135 PolarHBondContact O-N 3.49Å; I133-L136 WeakPolarHBondContact O-CB 3.17Å; I133-L136 PolarHBondContact O-N 2.95Å; I133-V137 WeakPolarHBondContact O-CG2 3.39Å; I133-V137 PolarHBondContact O-N 3.42Å
134L98.4Very high97.4Very high57 Ų5749.3 Ų49.330%0.29828%0.284SS..Hα-helixtrans-64.6-36.3179.6-169.556.8000111.9L96 G130 C131 W132 V137 V138 W188L96-L134 HydrophobicContact CD1-CB 3.92Å; L96-L134 HydrophobicContact CD1-CD2 3.88Å; L96-L134 HydrophobicContact CD1-CG 4.06Å; L96-L134 HydrophobicContact CD2-CD2 4.36Å; G130-L134 VanDerWaalsContact O-CB 3.32Å; G130-L134 WeakPolarHBondContact O-CB 3.31Å; G130-L134 PolarHBondContact O-N 2.99Å; C131-L134 PolarHBondContact O-N 3.23Å; W132-L134 VanDerWaalsContact C-N 3.34Å; W132-L134 PolarHBondContact O-N 3.5Å; L134-V137 PolarHBondContact O-N 3.19Å; L134-V138 VanDerWaalsContact O-CG2 3.32Å; L134-V138 WeakPolarHBondContact O-CG2 3.47Å; L134-V138 PolarHBondContact O-N 3.27Å; L134-W188 HydrophobicContact CD1-CH2 3.67Å; L134-W188 HydrophobicContact CD1-CZ2 4.25Å; L134-W188 HydrophobicContact CD1-CZ3 4.15Å; L134-W188 HydrophobicContact CD2-CH2 3.91Å; L134-W188 HydrophobicContact CD2-CZ3 3.62Å; L134-W188 HydrophobicContact CG-CH2 4.06Å; L134-W188 HydrophobicContact CG-CZ3 4.01Å
135S98.6Very high97.6Very high0 Ų051.6 Ų51.60%031%0.308CS..Hα-helixtrans-65.6-38175.7-57.70000112.8I89 Q92 S93 C131 W132 I133 G139I89-S135 WeakPolarHBondContact O-CB 3.45Å; Q92-S135 VanDerWaalsContact C-OG 3.31Å; S93-S135 WeakPolarHBondContact CA-OG 3.44Å; S93-S135 PolarHBondContact N-OG 3.22Å; C131-S135 VanDerWaalsContact O-CB 3.31Å; C131-S135 WeakPolarHBondContact O-CB 3.22Å; C131-S135 PolarHBondContact O-N 3.28Å; C131-S135 PolarHBondContact O-OG 3.46Å; W132-S135 WeakPolarHBondContact O-CB 3.37Å; W132-S135 PolarHBondContact O-N 3.41Å; I133-S135 VanDerWaalsContact C-N 3.28Å; I133-S135 PolarHBondContact O-N 3.49Å; S135-G139 PolarHBondContact O-N 3.34Å
136L98.5Very high97.8Very high78 Ų7853.6 Ų53.641%0.40830%0.303SS..Hα-helixtrans-65-45.8172.8-72.6166.8000111.1I89 W132 I133 V138 G139 L140I89-L136 HydrophobicContact CD1-CD2 4.02Å; I89-L136 HydrophobicContact CG1-CD2 4.45Å; I89-L136 HydrophobicContact CG2-CD2 3.91Å; I89-L136 HydrophobicContact CG2-CG 4.34Å; W132-L136 WeakPolarHBondContact O-CG 3.16Å; W132-L136 PolarHBondContact O-N 3.4Å; I133-L136 WeakPolarHBondContact O-CB 3.17Å; I133-L136 PolarHBondContact O-N 2.95Å; L136-V138 PolarHBondContact O-N 3.4Å; L136-G139 PolarHBondContact O-N 2.91Å; L136-L140 HydrophobicContact CB-CD1 4.46Å; L136-L140 HydrophobicContact CD2-CD1 4.28Å; L136-L140 WeakPolarHBondContact O-CB 3.31Å; L136-L140 VanDerWaalsContact O-CG 3.27Å; L136-L140 WeakPolarHBondContact O-CG 3.27Å; L136-L140 PolarHBondContact O-N 3.21Å
137V98.4Very high97.9Very high79 Ų7950.3 Ų50.348%0.47928%0.283SS..Hα-helixtrans-58.8-50.6178170.60000110.8I133 L134 T141I133-V137 WeakPolarHBondContact O-CG2 3.39Å; I133-V137 PolarHBondContact O-N 3.42Å; L134-V137 PolarHBondContact O-N 3.19Å; V137-T141 PolarHBondContact O-N 2.87Å; V137-T141 PolarHBondContact O-OG1 2.89Å
138V98.3Very high97.9Very high0 Ų050.1 Ų50.10%028%0.276CS..Hα-helixtrans-63.4-54.2179.2174.60000110.1Q92 L134 L136 L140 T141 Y179 F183 W188Q92-V138 HydrophobicContact CG-CB 4.09Å; Q92-V138 HydrophobicContact CG-CG1 4.21Å; Q92-V138 HydrophobicContact CG-CG2 4.35Å; L134-V138 VanDerWaalsContact O-CG2 3.32Å; L134-V138 WeakPolarHBondContact O-CG2 3.47Å; L134-V138 PolarHBondContact O-N 3.27Å; L136-V138 PolarHBondContact O-N 3.4Å; V138-L140 VanDerWaalsContact C-N 3.34Å; V138-L140 PolarHBondContact O-N 3.02Å; V138-T141 VanDerWaalsContact O-CB 3.32Å; V138-T141 WeakPolarHBondContact O-CB 3.32Å; V138-T141 PolarHBondContact O-N 2.96Å; V138-T141 PolarHBondContact O-OG1 3.4Å; V138-Y179 PolarHBondContact O-OH 3.44Å; V138-F183 HydrophobicContact CB-CE1 4.48Å; V138-F183 HydrophobicContact CG1-CE1 4.06Å; V138-F183 HydrophobicContact CG2-CE1 4.45Å; V138-W188 HydrophobicContact CG1-CB 4.34Å; V138-W188 HydrophobicContact CG1-CG 4.06Å; V138-W188 HydrophobicContact CG2-CD2 3.62Å; V138-W188 HydrophobicContact CG2-CE3 4.2Å; V138-W188 HydrophobicContact CG2-CG 3.87Å; V138-W188 HydrophobicContact CG2-CZ2 4Å
139G98.1Very high97.8Very high0 Ų050.1 Ų50.10%028%0.276CS..Hα-helixtrans-69.2-24.3-173.500000115.4S135 L136S135-G139 PolarHBondContact O-N 3.34Å; L136-G139 PolarHBondContact O-N 2.91Å
140L98.3Very high97.7Very high54 Ų5451.6 Ų51.628%0.28328%0.283SS..Hα-helixtrans-94.2-1.6175.9-63.8175.2000113.6C85 I89 L136 V138 P142 M143 F144C85-L140 HydrophobicContact CB-CD2 4.22Å; I89-L140 HydrophobicContact CD1-CD2 3.86Å; I89-L140 HydrophobicContact CD1-CG 4.03Å; L136-L140 HydrophobicContact CB-CD1 4.46Å; L136-L140 HydrophobicContact CD2-CD1 4.28Å; L136-L140 WeakPolarHBondContact O-CB 3.31Å; L136-L140 VanDerWaalsContact O-CG 3.27Å; L136-L140 WeakPolarHBondContact O-CG 3.27Å; L136-L140 PolarHBondContact O-N 3.21Å; V138-L140 VanDerWaalsContact C-N 3.34Å; V138-L140 PolarHBondContact O-N 3.02Å; L140-P142 VanDerWaalsContact C-CD 3.41Å; L140-P142 VanDerWaalsContact C-N 3.26Å; L140-M143 HydrophobicContact CD2-CG 4.14Å; L140-M143 WeakPolarHBondContact O-CA 3.11Å; L140-M143 VanDerWaalsContact O-CB 3.3Å; L140-M143 WeakPolarHBondContact O-CB 3.44Å; L140-M143 PolarHBondContact O-N 2.88Å; L140-F144 HydrophobicContact CB-CE2 3.92Å; L140-F144 HydrophobicContact CB-CZ 4.37Å; L140-F144 VanDerWaalsContact O-CD2 3.31Å; L140-F144 WeakPolarHBondContact O-CD2 3.47Å; L140-F144 PolarHBondContact O-N 2.86Å
141T98.3Very high97.5Very high22 Ų2252.2 Ų52.214%0.13529%0.285CS..G310 helixtrans-50.6-39.9175.2-66.30000113.2V137 V138 M143 F144 W146 Y179 F183V137-T141 PolarHBondContact O-N 2.87Å; V137-T141 PolarHBondContact O-OG1 2.89Å; V138-T141 VanDerWaalsContact O-CB 3.32Å; V138-T141 WeakPolarHBondContact O-CB 3.32Å; V138-T141 PolarHBondContact O-N 2.96Å; V138-T141 PolarHBondContact O-OG1 3.4Å; T141-M143 VanDerWaalsContact C-N 3.29Å; T141-M143 PolarHBondContact O-N 3.16Å; T141-F144 PolarHBondContact O-N 3.48Å; T141-F144 VanDerWaalsContact O-N 3.12Å; T141-W146 HydrophobicContact CG2-CB 4.18Å; T141-W146 HydrophobicContact CG2-CE3 3.9Å; T141-Y179 HydrophobicContact CG2-CD2 3.95Å; T141-Y179 HydrophobicContact CG2-CE2 3.77Å; T141-F183 HydrophobicContact CG2-CE1 4.27Å
142P98.2Very high97.4Very high0 Ų052.4 Ų52.40%029%0.286CS..G310 helixtrans-60.9-32.7173.7-2637.2000114.3L81 L88 L140 F144 G145 W146 N147 I175 Y179L81-P142 HydrophobicContact CD1-CB 3.89Å; L88-P142 HydrophobicContact CD1-CG 4.06Å; L140-P142 VanDerWaalsContact C-CD 3.41Å; L140-P142 VanDerWaalsContact C-N 3.26Å; P142-F144 VanDerWaalsContact C-N 3.28Å; P142-F144 PolarHBondContact O-N 2.82Å; P142-G145 PolarHBondContact O-N 2.86Å; P142-W146 WeakPolarHBondContact CA-O 3.44Å; P142-N147 PolarHBondContact O-ND2 3.42Å; P142-I175 HydrophobicContact CB-CD1 3.87Å; P142-I175 HydrophobicContact CG-CD1 4.07Å; P142-Y179 HydrophobicContact CG-CD1 3.97Å; P142-Y179 HydrophobicContact CG-CD2 4.4Å; P142-Y179 HydrophobicContact CG-CE1 3.61Å; P142-Y179 HydrophobicContact CG-CE2 4.07Å; P142-Y179 HydrophobicContact CG-CG 4.36Å
143M97.4Very high97.2Very high74 Ų7453.3 Ų53.337%0.36529%0.293SS..G310 helixtrans-69.7-25.6176.7-67.2-68.2-61.200112.6L81 M82 L140 T141 G145L81-M143 HydrophobicContact CB-SD 4.4Å; L81-M143 HydrophobicContact CD2-SD 3.77Å; L81-M143 HydrophobicContact CG-SD 3.68Å; M82-M143 HydrophobicContact CG-CE 3.59Å; M82-M143 HydrophobicContact CG-SD 3.89Å; L140-M143 HydrophobicContact CD2-CG 4.14Å; L140-M143 WeakPolarHBondContact O-CA 3.11Å; L140-M143 VanDerWaalsContact O-CB 3.3Å; L140-M143 WeakPolarHBondContact O-CB 3.44Å; L140-M143 PolarHBondContact O-N 2.88Å; T141-M143 VanDerWaalsContact C-N 3.29Å; T141-M143 PolarHBondContact O-N 3.16Å; M143-G145 VanDerWaalsContact C-N 3.25Å; M143-G145 PolarHBondContact O-N 3.42Å
144F97.1Very high97Very high161 Ų16156.8 Ų56.871%0.70630%0.299SS*.G310 helixtrans-83.74.1178-60.4-53.7000114L140 T141 P142L140-F144 HydrophobicContact CB-CE2 3.92Å; L140-F144 HydrophobicContact CB-CZ 4.37Å; L140-F144 VanDerWaalsContact O-CD2 3.31Å; L140-F144 WeakPolarHBondContact O-CD2 3.47Å; L140-F144 PolarHBondContact O-N 2.86Å; T141-F144 PolarHBondContact O-N 3.48Å; T141-F144 VanDerWaalsContact O-N 3.12Å; P142-F144 VanDerWaalsContact C-N 3.28Å; P142-F144 PolarHBondContact O-N 2.82Å
145G95.8Very high96.7Very high52 Ų5256.7 Ų56.754%0.53631%0.307SS..THydrogen-bonded Turntrans123.5-8.417100000115.3P142 M143 N147P142-G145 PolarHBondContact O-N 2.86Å; M143-G145 VanDerWaalsContact C-N 3.25Å; M143-G145 PolarHBondContact O-N 3.42Å; G145-N147 PolarHBondContact O-N 3.26Å
146W97.9Very high96.5Very high99 Ų9959.7 Ų59.738%0.37532%0.318SS..  trans-83.767.3175.2-159.6-11.4000111.6T141 P142 Y179 F183T141-W146 HydrophobicContact CG2-CB 4.18Å; T141-W146 HydrophobicContact CG2-CE3 3.9Å; P142-W146 WeakPolarHBondContact CA-O 3.44Å; W146-Y179 HydrophobicContact CD2-CD2 4.2Å; W146-Y179 HydrophobicContact CE3-CD2 4.11Å; W146-F183 HydrophobicContact CH2-CB 3.95Å; W146-F183 HydrophobicContact CZ3-CB 3.91Å; W146-F183 HydrophobicContact CZ3-CD2 4.14Å; W146-F183 HydrophobicContact CZ3-CG 4.06Å
147N97.6Very high96.2Very high29 Ų2959.2 Ų59.216%0.15533%0.325CS..BIsolated β-bridgetrans-141.4177.7-176.863.458.1000110.5F77 L81 P142 G145 L149 V174F77-N147 HydrophobicContact CE1-CB 4.38Å; F77-N147 HydrophobicContact CZ-CB 4.07Å; L81-N147 HydrophobicContact CD1-CB 4.09Å; L81-N147 HydrophobicContact CD2-CB 4.12Å; P142-N147 PolarHBondContact O-ND2 3.42Å; G145-N147 PolarHBondContact O-N 3.26Å; N147-L149 VanDerWaalsContact C-N 3.34Å; N147-L149 PolarHBondContact O-N 2.95Å; N147-L149 WeakPolarHBondContact OD1-CB 3.43Å; N147-L149 PolarHBondContact OD1-N 3.28Å; N147-V174 WeakPolarHBondContact CB-O 3.46Å
148N97Very high96Very high37 Ų3759.4 Ų59.420%0.19834%0.335CS..SBendtrans-92.116.9-173.8-63.6-20.9000114.2S150 A151 V152 E172 K173 V174 I175 S176N148-S150 PolarHBondContact O-N 3.47Å; N148-A151 WeakPolarHBondContact O-CB 3.45Å; N148-A151 PolarHBondContact O-N 3.24Å; N148-V152 WeakPolarHBondContact O-CG2 3.31Å; N148-V152 PolarHBondContact O-N 3.42Å; N148-E172 PolarHBondContact ND2-O 3.21Å; N148-E172 VanDerWaalsContact ND2-O 3.16Å; N148-K173 WeakPolarHBondContact CB-O 3.46Å; N148-K173 PolarHBondContact ND2-O 2.95Å; N148-V174 PolarHBondContact N-O 2.91Å; N148-I175 PolarHBondContact ND2-O 2.69Å; N148-I175 VanDerWaalsContact ND2-O 3.16Å; N148-S176 WeakPolarHBondContact OD1-CA 3.43Å; N148-S176 WeakPolarHBondContact OD1-CB 3.34Å
149L95.9Very high95.7Very high32 Ų3265.6 Ų65.617%0.16837%0.368CS..Hα-helixtrans-53.3-52.2-173.417859.1000111.8F77 N147 A151 V152 E153F77-L149 HydrophobicContact CB-CD1 4.27Å; F77-L149 HydrophobicContact CD1-CB 4.12Å; F77-L149 HydrophobicContact CD1-CD1 3.67Å; F77-L149 HydrophobicContact CD1-CG 4.36Å; F77-L149 HydrophobicContact CD2-CD1 4.32Å; F77-L149 HydrophobicContact CE1-CB 3.6Å; F77-L149 HydrophobicContact CE1-CD1 4.07Å; F77-L149 HydrophobicContact CE1-CG 4.31Å; F77-L149 HydrophobicContact CE2-CB 4.33Å; F77-L149 HydrophobicContact CG-CD1 3.82Å; F77-L149 HydrophobicContact CZ-CB 3.73Å; F77-L149 VanDerWaalsContact CZ-N 3.26Å; N147-L149 VanDerWaalsContact C-N 3.34Å; N147-L149 PolarHBondContact O-N 2.95Å; N147-L149 WeakPolarHBondContact OD1-CB 3.43Å; N147-L149 PolarHBondContact OD1-N 3.28Å; L149-A151 PolarHBondContact O-N 2.99Å; L149-V152 PolarHBondContact O-N 3.25Å; L149-E153 HydrophobicContact CD1-CG 3.89Å; L149-E153 HydrophobicContact CG-CG 4.2Å; L149-E153 WeakPolarHBondContact O-CG 3.46Å; L149-E153 PolarHBondContact O-N 3.37Å
150S94.7Very high95.3Very high79 Ų7968.8 Ų68.855%0.55240%0.401SS*.Hα-helixtrans-65.7-22.3-179-47.50000114.2N148 R154N148-S150 PolarHBondContact O-N 3.47Å; S150-R154 WeakPolarHBondContact O-CG 3.48Å; S150-R154 PolarHBondContact O-N 3.28Å; S150-R154 PolarHBondContact O-NE 3.5Å; S150-R154 VanDerWaalsContact O-NE 3.08Å
151A94.8Very high94.9Very high47 Ų4768.4 Ų68.439%0.38840%0.403SS..Hα-helixtrans-77-42172.600000110.9N148 L149 A155N148-A151 WeakPolarHBondContact O-CB 3.45Å; N148-A151 PolarHBondContact O-N 3.24Å; L149-A151 PolarHBondContact O-N 2.99Å; A151-A155 PolarHBondContact O-N 3.25Å
152V95Very high94.4Very high22 Ų2276 Ų7613%0.13344%0.439CS..Hα-helixtrans-67.7-42.5177.3176.90000111.2F77 N148 L149 R154 A155 W156 P165 I167F77-V152 HydrophobicContact CD2-CB 4.38Å; F77-V152 HydrophobicContact CD2-CG1 4.5Å; F77-V152 HydrophobicContact CD2-CG2 4.21Å; F77-V152 HydrophobicContact CE2-CG2 4.08Å; N148-V152 WeakPolarHBondContact O-CG2 3.31Å; N148-V152 PolarHBondContact O-N 3.42Å; L149-V152 PolarHBondContact O-N 3.25Å; V152-R154 VanDerWaalsContact C-N 3.34Å; V152-R154 PolarHBondContact O-N 3.28Å; V152-A155 PolarHBondContact O-N 3.27Å; V152-W156 WeakPolarHBondContact O-CB 3.27Å; V152-W156 PolarHBondContact O-N 3.23Å; V152-P165 HydrophobicContact CG1-CB 3.57Å; V152-P165 HydrophobicContact CG1-CG 4.04Å; V152-I167 HydrophobicContact CG1-CG2 3.84Å
153E94.6Very high93.8Very high87 Ų8779 Ų7941%0.40747%0.47SS..Hα-helixtrans-59.7-41.8176.9-74.4173.6154.600112.3L149 W156 A157 P165L149-E153 HydrophobicContact CD1-CG 3.89Å; L149-E153 HydrophobicContact CG-CG 4.2Å; L149-E153 WeakPolarHBondContact O-CG 3.46Å; L149-E153 PolarHBondContact O-N 3.37Å; E153-W156 PolarHBondContact O-N 3.39Å; E153-A157 WeakPolarHBondContact O-CB 3.47Å; E153-A157 PolarHBondContact O-N 3.29Å; E153-P165 HydrophobicContact CG-CG 3.99Å
154R94Very high93.2Very high184 Ų18479.5 Ų79.569%0.69447%0.471SS*.Hα-helixtrans-63-43.1175.7-77.2-176.5-68149.5-4.3112S150 V152 W156 A158S150-R154 WeakPolarHBondContact O-CG 3.48Å; S150-R154 PolarHBondContact O-N 3.28Å; S150-R154 PolarHBondContact O-NE 3.5Å; S150-R154 VanDerWaalsContact O-NE 3.08Å; V152-R154 VanDerWaalsContact C-N 3.34Å; V152-R154 PolarHBondContact O-N 3.28Å; R154-W156 VanDerWaalsContact C-N 3.35Å; R154-A158 VanDerWaalsContact O-CB 3.3Å; R154-A158 WeakPolarHBondContact O-CB 3.36Å; R154-A158 PolarHBondContact O-N 3.45Å
155A93.1Very high92.8Very high55 Ų5572 Ų7246%0.45544%0.439SS..Hα-helixtrans-67.3-37.2176.700000112.1A151 V152 A158 N159A151-A155 PolarHBondContact O-N 3.25Å; V152-A155 PolarHBondContact O-N 3.27Å; A155-A158 PolarHBondContact O-N 3Å; A155-N159 PolarHBondContact O-N 3Å
156W93Very high92.7Very high63 Ų6371.6 Ų71.624%0.23943%0.426CS..Hα-helixtrans-65-47.3177-173.4-105.8000112.1V152 E153 R154 N159 S161 G163 P165 V166V152-W156 WeakPolarHBondContact O-CB 3.27Å; V152-W156 PolarHBondContact O-N 3.23Å; E153-W156 PolarHBondContact O-N 3.39Å; R154-W156 VanDerWaalsContact C-N 3.35Å; W156-N159 PolarHBondContact O-N 3.24Å; W156-S161 VanDerWaalsContact CZ2-CB 3.45Å; W156-S161 PolarHBondContact NE1-O 3.39Å; W156-S161 PolarHBondContact O-N 3.14Å; W156-G163 PolarHBondContact NE1-O 2.96Å; W156-P165 HydrophobicContact CB-CB 4.41Å; W156-P165 HydrophobicContact CB-CG 4.31Å; W156-P165 HydrophobicContact CD2-CB 4.25Å; W156-P165 HydrophobicContact CE3-CB 4.49Å; W156-P165 HydrophobicContact CG-CB 4.23Å; W156-P165 HydrophobicContact CG-CG 4.26Å; W156-V166 HydrophobicContact CH2-CB 4.18Å; W156-V166 WeakPolarHBondContact CZ3-O 3.4Å
157A93.2Very high92.4Very high67 Ų6767.8 Ų67.855%0.55441%0.413SS*.Hα-helixtrans-65.2-38.3176.200000112.2E153 N159 G160E153-A157 WeakPolarHBondContact O-CB 3.47Å; E153-A157 PolarHBondContact O-N 3.29Å; A157-N159 PolarHBondContact O-N 2.96Å; A157-G160 PolarHBondContact O-N 2.69Å
158A93.4Very high92.1Very high84 Ų8472.6 Ų72.669%0.69443%0.432SS*.Hα-helixtrans-62.3-29.8174.900000112.7R154 A155 G160R154-A158 VanDerWaalsContact O-CB 3.3Å; R154-A158 WeakPolarHBondContact O-CB 3.36Å; R154-A158 PolarHBondContact O-N 3.45Å; A155-A158 PolarHBondContact O-N 3Å; A158-G160 PolarHBondContact O-N 3.2Å
159N92Very high91.8Very high130 Ų13071.5 Ų71.570%0.69543%0.427SS*.THydrogen-bonded Turntrans-82.77.3173.3-71.9-11.7000113.4A155 W156 A157 S161A155-N159 PolarHBondContact O-N 3Å; W156-N159 PolarHBondContact O-N 3.24Å; A157-N159 PolarHBondContact O-N 2.96Å; N159-S161 PolarHBondContact O-N 2.03Å
160G90.2Very high91.6Very high67 Ų6773.4 Ų73.469%0.69144%0.435SS*.THydrogen-bonded Turntrans6916.4178.400000114.7A157 A158A157-G160 PolarHBondContact O-N 2.69Å; A158-G160 PolarHBondContact O-N 3.2Å
161S90.4Very high91.4Very high45 Ų4572.9 Ų72.932%0.31542%0.423SS..  trans-87.6141.9-179.4-58.30000111W156 N159W156-S161 VanDerWaalsContact CZ2-CB 3.45Å; W156-S161 PolarHBondContact NE1-O 3.39Å; W156-S161 PolarHBondContact O-N 3.14Å; N159-S161 PolarHBondContact O-N 2.03Å
162M87Confident91.3Very high181 Ų18174.4 Ų74.489%0.89242%0.423SS*.  trans-106.5154.7179-65.5-154.5-70.300111.7
163G85.4Confident91.2Very high64 Ų6477.6 Ų77.666%0.6643%0.434SS*.SBendtrans85.4-169.8178.900000114.2W156W156-G163 PolarHBondContact NE1-O 2.96Å
164E84.8Confident91.3Very high84 Ų8473.4 Ų73.439%0.39342%0.415SS..SBendtrans-65.2137.7-178.5-169.8-179.9167.900111.4Y76 H78 V166Y76-E164 HydrophobicContact CD1-CB 4.07Å; Y76-E164 HydrophobicContact CD1-CG 4.03Å; Y76-E164 HydrophobicContact CE1-CB 4.37Å; H78-E164 IonicContact CD2-OE1 3.91Å; H78-E164 PolarHBondContact CD2-OE1 2.9Å; H78-E164 IonicContact CG-OE1 2.74Å; E164-V166 PolarHBondContact O-N 3.14Å
165P89.2Confident91.4Very high4 Ų464.7 Ų64.73%0.02638%0.382CS..PPolyproline II helixtrans-62.2121.6-178.8-22.432.7000113F77 V152 E153 W156 I167F77-P165 PolarHBondContact N-O 2.54Å; V152-P165 HydrophobicContact CG1-CB 3.57Å; V152-P165 HydrophobicContact CG1-CG 4.04Å; E153-P165 HydrophobicContact CG-CG 3.99Å; W156-P165 HydrophobicContact CB-CB 4.41Å; W156-P165 HydrophobicContact CB-CG 4.31Å; W156-P165 HydrophobicContact CD2-CB 4.25Å; W156-P165 HydrophobicContact CE3-CB 4.49Å; W156-P165 HydrophobicContact CG-CB 4.23Å; W156-P165 HydrophobicContact CG-CG 4.26Å; P165-I167 HydrophobicContact CB-CG2 4.43Å
166V92.7Very high91.6Very high44 Ų4462.4 Ų62.427%0.26736%0.363SS..EExtended strand (participates in β ladder)trans-97.3116.9171.1-179.90000108.3Q74 Y76 W156 E164Q74-V166 HydrophobicContact CB-CG1 3.62Å; Y76-V166 HydrophobicContact CD1-CG2 3.94Å; Y76-V166 HydrophobicContact CE1-CG2 3.76Å; W156-V166 HydrophobicContact CH2-CB 4.18Å; W156-V166 WeakPolarHBondContact CZ3-O 3.4Å; E164-V166 PolarHBondContact O-N 3.14Å
167I92.3Very high91.8Very high18 Ų1860.5 Ų60.59%0.09236%0.357CS..EExtended strand (participates in β ladder)trans-129.2152.7-17360.5170.3000111.4Q74 T75 F77 V152 P165 C169 K173 V174Q74-I167 WeakPolarHBondContact CA-O 3.42Å; T75-I167 PolarHBondContact N-O 3.01Å; T75-I167 PolarHBondContact O-N 3.29Å; T75-I167 VanDerWaalsContact O-O 3.13Å; F77-I167 HydrophobicContact CD2-CD1 4.09Å; V152-I167 HydrophobicContact CG1-CG2 3.84Å; P165-I167 HydrophobicContact CB-CG2 4.43Å; I167-C169 PolarHBondContact O-N 3.39Å; I167-K173 HydrophobicContact CD1-CB 4.41Å; I167-V174 HydrophobicContact CD1-CG1 3.63Å
168K90.6Very high92Very high130 Ų13062.1 Ų62.157%0.56535%0.353SS*.  trans-64.3119.8159.8-175.1-179.7176.8-167.70107.9E170K168-E170 HydrophobicContact CG-CG 4.43Å; K168-E170 IonicContact NZ-OE1 3.72Å; K168-E170 PolarHBondContact O-N 3.33Å; K168-E170 VanDerWaalsContact O-N 3.09Å
169C92.1Very high92.3Very high14 Ų1458.1 Ų58.110%0.09532%0.32CS..  trans-68.7108.6-175.61800000110.6I69 C80 I167I69-C169 WeakPolarHBondContact CD1-SG 3.45Å; I69-C169 HydrophobicContact CG1-CB 4.39Å; I69-C169 HydrophobicContact CG2-CB 3.79Å; I69-C169 VanDerWaalsContact CG2-O 3.31Å; I69-C169 WeakPolarHBondContact CG2-O 3.41Å; C80-C169 VanDerWaalsContact CA-SG 3.52Å; C80-C169 HydrophobicContact CB-CB 3.66Å; C80-C169 WeakPolarHBondContact CB-SG 3.08Å; C80-C169 WeakPolarHBondContact SG-CA 3.41Å; C80-C169 WeakPolarHBondContact SG-CB 3.09Å; C80-C169 CovalentContact SG-SG 2.02Å; C80-C169 PolarHBondContact SG-SG 2.87Å; I167-C169 PolarHBondContact O-N 3.39Å
170E90.7Very high92.6Very high72 Ų7252.3 Ų52.334%0.33629%0.289SS..  trans-130.4133.6178.7-71.1170.4165.500107.4K168 E172 K173 V174K168-E170 HydrophobicContact CG-CG 4.43Å; K168-E170 IonicContact NZ-OE1 3.72Å; K168-E170 PolarHBondContact O-N 3.33Å; K168-E170 VanDerWaalsContact O-N 3.09Å; E170-E172 VanDerWaalsContact C-N 3.29Å; E170-E172 PolarHBondContact O-N 2.92Å; E170-K173 HydrophobicContact CB-CB 4.21Å; E170-K173 HydrophobicContact CB-CD 4.25Å; E170-K173 HydrophobicContact CB-CG 4.13Å; E170-K173 WeakPolarHBondContact O-CB 3.31Å; E170-K173 PolarHBondContact O-N 3.38Å; E170-K173 WeakPolarHBondContact OE2-CD 3.49Å; E170-K173 WeakPolarHBondContact OE2-CE 3.05Å; E170-K173 IonicContact OE2-NZ 2.83Å; E170-K173 PolarHBondContact OE2-NZ 3.32Å; E170-V174 PolarHBondContact O-N 3.34Å
171F91.4Very high93Very high69 Ų6949.1 Ų49.130%0.30326%0.256SS..Hα-helixtrans-54.4-46.6-175.2-176.6-90.5000111.9A84 L88 K173 V174 I175 M177 M180A84-F171 HydrophobicContact CB-CD2 4.16Å; A84-F171 HydrophobicContact CB-CE2 4.38Å; L88-F171 HydrophobicContact CD2-CE2 4.41Å; L88-F171 HydrophobicContact CD2-CZ 4.17Å; F171-K173 PolarHBondContact O-N 3.47Å; F171-V174 PolarHBondContact O-N 2.86Å; F171-I175 HydrophobicContact CD1-CB 4.28Å; F171-I175 HydrophobicContact CD1-CG1 4.46Å; F171-I175 HydrophobicContact CD2-CG1 3.98Å; F171-I175 HydrophobicContact CE1-CB 3.95Å; F171-I175 HydrophobicContact CE1-CG1 4.21Å; F171-I175 HydrophobicContact CE1-CG2 3.99Å; F171-I175 HydrophobicContact CE2-CB 4.36Å; F171-I175 HydrophobicContact CE2-CG1 3.7Å; F171-I175 HydrophobicContact CG-CG1 4.35Å; F171-I175 HydrophobicContact CZ-CB 4Å; F171-I175 HydrophobicContact CZ-CG1 3.83Å; F171-I175 HydrophobicContact CZ-CG2 3.89Å; F171-I175 WeakPolarHBondContact O-CB 3.29Å; F171-I175 PolarHBondContact O-N 3.35Å; F171-M177 HydrophobicContact CD1-CE 4.26Å; F171-M177 HydrophobicContact CE1-CE 4.19Å; F171-M180 HydrophobicContact CE1-CE 4.06Å; F171-M180 HydrophobicContact CE1-CG 3.96Å; F171-M180 HydrophobicContact CE1-SD 4.01Å; F171-M180 HydrophobicContact CZ-CE 3.85Å; F171-M180 HydrophobicContact CZ-CG 4.23Å; F171-M180 HydrophobicContact CZ-SD 3.68Å
172E92.1Very high93.4Very high79 Ų7951.9 Ų51.937%0.36926%0.26SS..Hα-helixtrans-67.8-18.4-179.7-57.8178.3-145.200113.3N148 E170 M177 T257 K265N148-E172 PolarHBondContact ND2-O 3.21Å; N148-E172 VanDerWaalsContact ND2-O 3.16Å; E170-E172 VanDerWaalsContact C-N 3.29Å; E170-E172 PolarHBondContact O-N 2.92Å; E172-M177 HydrophobicContact CB-CE 4.2Å; E172-M177 HydrophobicContact CG-CE 3.94Å; E172-M177 HydrophobicContact CG-SD 4.43Å; E172-T257 WeakPolarHBondContact OE2-CG2 3.22Å; E172-K265 IonicContact OE1-NZ 2.94Å; E172-K265 PolarHBondContact OE1-NZ 3.26Å; E172-K265 IonicContact OE2-NZ 3.67Å; E172-K265 PolarHBondContact OE2-NZ 3.4Å
173K93.2Very high93.9Very high88 Ų8845.6 Ų45.638%0.38323%0.228SC..Hα-helixtrans-81-32.5176.4-81-171.5174.6145.90113.3N148 I167 E170 F171N148-K173 WeakPolarHBondContact CB-O 3.46Å; N148-K173 PolarHBondContact ND2-O 2.95Å; I167-K173 HydrophobicContact CD1-CB 4.41Å; E170-K173 HydrophobicContact CB-CB 4.21Å; E170-K173 HydrophobicContact CB-CD 4.25Å; E170-K173 HydrophobicContact CB-CG 4.13Å; E170-K173 WeakPolarHBondContact O-CB 3.31Å; E170-K173 PolarHBondContact O-N 3.38Å; E170-K173 WeakPolarHBondContact OE2-CD 3.49Å; E170-K173 WeakPolarHBondContact OE2-CE 3.05Å; E170-K173 IonicContact OE2-NZ 2.83Å; E170-K173 PolarHBondContact OE2-NZ 3.32Å; F171-K173 PolarHBondContact O-N 3.47Å
174V95.8Very high94.5Very high0 Ų042.8 Ų42.80%020%0.198CC..Hα-helixtrans-103-34.5-176.7-59.70000112.9F77 C80 L81 A84 N147 N148 I167 E170 F171F77-V174 HydrophobicContact CD2-CG1 3.85Å; F77-V174 HydrophobicContact CE2-CB 3.99Å; F77-V174 HydrophobicContact CE2-CG1 3.77Å; F77-V174 HydrophobicContact CZ-CB 4.19Å; F77-V174 HydrophobicContact CZ-CG1 4.38Å; C80-V174 HydrophobicContact CB-CG1 3.9Å; C80-V174 VanDerWaalsContact SG-CG1 3.57Å; L81-V174 HydrophobicContact CB-CB 4.47Å; L81-V174 HydrophobicContact CD1-CB 4.35Å; L81-V174 HydrophobicContact CD1-CG2 4.46Å; A84-V174 HydrophobicContact CB-CG2 4.27Å; N147-V174 WeakPolarHBondContact CB-O 3.46Å; N148-V174 PolarHBondContact N-O 2.91Å; I167-V174 HydrophobicContact CD1-CG1 3.63Å; E170-V174 PolarHBondContact O-N 3.34Å; F171-V174 PolarHBondContact O-N 2.86Å
175I97.2Very high95.2Very high0 Ų039.6 Ų39.60%018%0.183CC..BIsolated β-bridgetrans-93.2129.2178.4-55.9-58.3000110.1L81 A84 L88 P142 N148 F171 Y179 M180L81-I175 HydrophobicContact CD1-CD1 3.54Å; A84-I175 HydrophobicContact CB-CD1 4.02Å; A84-I175 HydrophobicContact CB-CG1 4.01Å; L88-I175 HydrophobicContact CD1-CD1 4.4Å; P142-I175 HydrophobicContact CB-CD1 3.87Å; P142-I175 HydrophobicContact CG-CD1 4.07Å; N148-I175 PolarHBondContact ND2-O 2.69Å; N148-I175 VanDerWaalsContact ND2-O 3.16Å; F171-I175 HydrophobicContact CD1-CB 4.28Å; F171-I175 HydrophobicContact CD1-CG1 4.46Å; F171-I175 HydrophobicContact CD2-CG1 3.98Å; F171-I175 HydrophobicContact CE1-CB 3.95Å; F171-I175 HydrophobicContact CE1-CG1 4.21Å; F171-I175 HydrophobicContact CE1-CG2 3.99Å; F171-I175 HydrophobicContact CE2-CB 4.36Å; F171-I175 HydrophobicContact CE2-CG1 3.7Å; F171-I175 HydrophobicContact CG-CG1 4.35Å; F171-I175 HydrophobicContact CZ-CB 4Å; F171-I175 HydrophobicContact CZ-CG1 3.83Å; F171-I175 HydrophobicContact CZ-CG2 3.89Å; F171-I175 WeakPolarHBondContact O-CB 3.29Å; F171-I175 PolarHBondContact O-N 3.35Å; I175-Y179 HydrophobicContact CG2-CD1 3.81Å; I175-Y179 HydrophobicContact CG2-CE1 4.28Å; I175-M180 HydrophobicContact CG2-CG 3.58Å; I175-M180 HydrophobicContact CG2-SD 3.88Å
176S97.9Very high95.6Very high8 Ų843.2 Ų43.26%0.05620%0.198CC..  trans-67.9132.1174.7170.30000111.4N148 E178 Y179 M180N148-S176 WeakPolarHBondContact OD1-CA 3.43Å; N148-S176 WeakPolarHBondContact OD1-CB 3.34Å; S176-E178 VanDerWaalsContact C-N 3.27Å; S176-E178 PolarHBondContact O-N 3.5Å; S176-E178 PolarHBondContact OG-N 3.49Å; S176-Y179 WeakPolarHBondContact O-CB 3.34Å; S176-Y179 PolarHBondContact O-N 2.89Å; S176-Y179 PolarHBondContact OG-N 3.15Å; S176-M180 PolarHBondContact O-N 2.88Å
177M96.5Very high95.9Very high23 Ų2344.7 Ų44.711%0.11321%0.207CC..Hα-helixtrans-67.7-28.4173.8-70.3-59.6103.800112.2F171 E172 M180 V181 N254 T257 L258F171-M177 HydrophobicContact CD1-CE 4.26Å; F171-M177 HydrophobicContact CE1-CE 4.19Å; E172-M177 HydrophobicContact CB-CE 4.2Å; E172-M177 HydrophobicContact CG-CE 3.94Å; E172-M177 HydrophobicContact CG-SD 4.43Å; M177-M180 HydrophobicContact CE-CG 4.18Å; M177-M180 PolarHBondContact O-N 3.31Å; M177-V181 WeakPolarHBondContact O-CB 3.45Å; M177-V181 WeakPolarHBondContact O-CG2 3.35Å; M177-V181 PolarHBondContact O-N 3.46Å; M177-N254 HydrophobicContact SD-CB 4.36Å; M177-T257 HydrophobicContact CG-CG2 4.14Å; M177-T257 HydrophobicContact SD-CG2 4.27Å; M177-L258 HydrophobicContact CB-CB 4.15Å; M177-L258 HydrophobicContact CB-CD1 3.98Å
178E98Very high96.2Very high101 Ų10146.7 Ų46.747%0.47221%0.214SC..Hα-helixtrans-64.6-42.9173.6-61.4-179.4134.500111S176 V181 Y182 L258S176-E178 VanDerWaalsContact C-N 3.27Å; S176-E178 PolarHBondContact O-N 3.5Å; S176-E178 PolarHBondContact OG-N 3.49Å; E178-V181 PolarHBondContact O-N 2.97Å; E178-Y182 HydrophobicContact CB-CD2 3.89Å; E178-Y182 HydrophobicContact CB-CE2 4.05Å; E178-Y182 HydrophobicContact CG-CD2 4.46Å; E178-Y182 HydrophobicContact CG-CE2 4.11Å; E178-Y182 WeakPolarHBondContact O-CB 3.17Å; E178-Y182 WeakPolarHBondContact O-CD2 3.25Å; E178-Y182 PolarHBondContact O-N 3.42Å; E178-L258 HydrophobicContact CG-CD1 3.89Å
179Y98.4Very high96.5Very high0 Ų040.6 Ų40.60%019%0.187CC..Iπ-helixtrans-59.4-48171.6163.2-94.4000110.7L88 V138 T141 P142 W146 I175 S176 V181 F183 N184L88-Y179 HydrophobicContact CD1-CE1 3.87Å; V138-Y179 PolarHBondContact O-OH 3.44Å; T141-Y179 HydrophobicContact CG2-CD2 3.95Å; T141-Y179 HydrophobicContact CG2-CE2 3.77Å; P142-Y179 HydrophobicContact CG-CD1 3.97Å; P142-Y179 HydrophobicContact CG-CD2 4.4Å; P142-Y179 HydrophobicContact CG-CE1 3.61Å; P142-Y179 HydrophobicContact CG-CE2 4.07Å; P142-Y179 HydrophobicContact CG-CG 4.36Å; W146-Y179 HydrophobicContact CD2-CD2 4.2Å; W146-Y179 HydrophobicContact CE3-CD2 4.11Å; I175-Y179 HydrophobicContact CG2-CD1 3.81Å; I175-Y179 HydrophobicContact CG2-CE1 4.28Å; S176-Y179 WeakPolarHBondContact O-CB 3.34Å; S176-Y179 PolarHBondContact O-N 2.89Å; S176-Y179 PolarHBondContact OG-N 3.15Å; Y179-V181 VanDerWaalsContact C-N 3.35Å; Y179-V181 PolarHBondContact O-N 2.92Å; Y179-F183 HydrophobicContact CD2-CB 4.18Å; Y179-F183 AromaticContact CD2-CD1 3.78Å; Y179-F183 HydrophobicContact CD2-CD1 3.78Å; Y179-F183 HydrophobicContact CD2-CG 4.33Å; Y179-F183 AromaticContact CE2-CD1 3.39Å; Y179-F183 HydrophobicContact CE2-CD1 3.39Å; Y179-F183 AromaticContact CE2-CE1 3.92Å; Y179-F183 HydrophobicContact CE2-CE1 3.92Å; Y179-F183 HydrophobicContact CE2-CG 4.35Å; Y179-F183 WeakPolarHBondContact O-CB 3.37Å; Y179-F183 PolarHBondContact O-N 3.02Å; Y179-N184 HydrophobicContact CE1-CB 4.34Å; Y179-N184 PolarHBondContact O-N 3.35Å
180M98.3Very high96.8Very high8 Ų842.7 Ų42.74%0.03920%0.197CC..Iπ-helixtrans-64.2-37.1-178-73.6-59.5-65.200113.4L88 F171 I175 S176 M177 N184 F185L88-M180 HydrophobicContact CD2-CE 4.08Å; L88-M180 HydrophobicContact CD2-SD 3.78Å; F171-M180 HydrophobicContact CE1-CE 4.06Å; F171-M180 HydrophobicContact CE1-CG 3.96Å; F171-M180 HydrophobicContact CE1-SD 4.01Å; F171-M180 HydrophobicContact CZ-CE 3.85Å; F171-M180 HydrophobicContact CZ-CG 4.23Å; F171-M180 HydrophobicContact CZ-SD 3.68Å; I175-M180 HydrophobicContact CG2-CG 3.58Å; I175-M180 HydrophobicContact CG2-SD 3.88Å; S176-M180 PolarHBondContact O-N 2.88Å; M177-M180 HydrophobicContact CE-CG 4.18Å; M177-M180 PolarHBondContact O-N 3.31Å; M180-N184 WeakPolarHBondContact O-CB 3.36Å; M180-N184 HydrophobicContact SD-CB 4.46Å; M180-F185 VanDerWaalsContact O-CB 3.31Å; M180-F185 WeakPolarHBondContact O-CB 3.47Å; M180-F185 PolarHBondContact O-N 3.43Å
181V98.5Very high97.1Very high0 Ų042 Ų420%020%0.199CC..Iπ-helixtrans-87.7-57.3-176174.80000111.4M177 E178 Y179 F185 F186 N254 L258 F259M177-V181 WeakPolarHBondContact O-CB 3.45Å; M177-V181 WeakPolarHBondContact O-CG2 3.35Å; M177-V181 PolarHBondContact O-N 3.46Å; E178-V181 PolarHBondContact O-N 2.97Å; Y179-V181 VanDerWaalsContact C-N 3.35Å; Y179-V181 PolarHBondContact O-N 2.92Å; V181-F185 WeakPolarHBondContact O-CB 3.42Å; V181-F185 PolarHBondContact O-N 3.35Å; V181-F186 HydrophobicContact CG1-CD2 4.2Å; V181-F186 HydrophobicContact CG1-CE1 4.29Å; V181-F186 HydrophobicContact CG1-CE2 3.63Å; V181-F186 HydrophobicContact CG1-CZ 3.68Å; V181-F186 WeakPolarHBondContact O-CG 3.41Å; V181-F186 PolarHBondContact O-N 3.44Å; V181-N254 HydrophobicContact CG2-CB 4.2Å; V181-L258 HydrophobicContact CB-CD2 3.58Å; V181-L258 HydrophobicContact CG1-CD2 3.9Å; V181-L258 HydrophobicContact CG2-CB 4.05Å; V181-L258 HydrophobicContact CG2-CD2 3.71Å; V181-F259 HydrophobicContact CG1-CE2 3.76Å; V181-F259 HydrophobicContact CG1-CZ 3.77Å
182Y98.5Very high97.5Very high102 Ų10239.4 Ų39.440%0.419%0.189SC..Iπ-helixtrans-75.9-48.4-172.1-56.8-52.4000112E178 F186 V187 L258 F259E178-Y182 HydrophobicContact CB-CD2 3.89Å; E178-Y182 HydrophobicContact CB-CE2 4.05Å; E178-Y182 HydrophobicContact CG-CD2 4.46Å; E178-Y182 HydrophobicContact CG-CE2 4.11Å; E178-Y182 WeakPolarHBondContact O-CB 3.17Å; E178-Y182 WeakPolarHBondContact O-CD2 3.25Å; E178-Y182 PolarHBondContact O-N 3.42Å; Y182-F186 AromaticContact CD1-CD2 3.93Å; Y182-F186 HydrophobicContact CD1-CD2 3.93Å; Y182-F186 AromaticContact CD1-CE2 4Å; Y182-F186 HydrophobicContact CD1-CE2 4Å; Y182-F186 HydrophobicContact CE1-CE2 4.32Å; Y182-F186 WeakPolarHBondContact O-CB 3.38Å; Y182-V187 WeakPolarHBondContact O-CG2 3.33Å; Y182-V187 PolarHBondContact O-N 3.09Å; Y182-L258 HydrophobicContact CD2-CD2 4.5Å; Y182-L258 HydrophobicContact CE1-CD2 4.39Å; Y182-L258 HydrophobicContact CE2-CD2 3.88Å; Y182-F259 AromaticContact CE1-CE1 3.98Å; Y182-F259 HydrophobicContact CE1-CE1 3.98Å; Y182-F259 AromaticContact CE1-CZ 3.81Å; Y182-F259 HydrophobicContact CE1-CZ 3.81Å; Y182-F259 WeakPolarHBondContact OH-CE1 3.37Å
183F98.5Very high97.7Very high49 Ų4936.3 Ų36.322%0.21518%0.175CC..Iπ-helixtrans-83.9-59.2-175.9-173.7-101.5000111.1V138 T141 W146 Y179 V187 W188V138-F183 HydrophobicContact CB-CE1 4.48Å; V138-F183 HydrophobicContact CG1-CE1 4.06Å; V138-F183 HydrophobicContact CG2-CE1 4.45Å; T141-F183 HydrophobicContact CG2-CE1 4.27Å; W146-F183 HydrophobicContact CH2-CB 3.95Å; W146-F183 HydrophobicContact CZ3-CB 3.91Å; W146-F183 HydrophobicContact CZ3-CD2 4.14Å; W146-F183 HydrophobicContact CZ3-CG 4.06Å; Y179-F183 HydrophobicContact CD2-CB 4.18Å; Y179-F183 AromaticContact CD2-CD1 3.78Å; Y179-F183 HydrophobicContact CD2-CD1 3.78Å; Y179-F183 HydrophobicContact CD2-CG 4.33Å; Y179-F183 AromaticContact CE2-CD1 3.39Å; Y179-F183 HydrophobicContact CE2-CD1 3.39Å; Y179-F183 AromaticContact CE2-CE1 3.92Å; Y179-F183 HydrophobicContact CE2-CE1 3.92Å; Y179-F183 HydrophobicContact CE2-CG 4.35Å; Y179-F183 WeakPolarHBondContact O-CB 3.37Å; Y179-F183 PolarHBondContact O-N 3.02Å; F183-V187 WeakPolarHBondContact O-CB 3.46Å; F183-V187 PolarHBondContact O-N 2.83Å; F183-W188 AromaticContact CD1-CD1 3.82Å; F183-W188 AromaticContact CE1-CD1 3.67Å; F183-W188 AromaticContact CE1-NE1 3.53Å; F183-W188 AromaticContact CE2-NE1 3.44Å; F183-W188 AromaticContact CZ-CD1 3.82Å; F183-W188 AromaticContact CZ-NE1 3.19Å; F183-W188 PolarHBondContact O-N 2.97Å
184N98.5Very high97.9Very high5 Ų536.9 Ų36.93%0.02718%0.181CC..Iπ-helixtrans-67.2-56.4-176.1-177.2-96.4000111.7Y179 M180 W188 V189 H251Y179-N184 HydrophobicContact CE1-CB 4.34Å; Y179-N184 PolarHBondContact O-N 3.35Å; M180-N184 WeakPolarHBondContact O-CB 3.36Å; M180-N184 HydrophobicContact SD-CB 4.46Å; N184-W188 CarbonylContact O-C 3.23Å; N184-W188 WeakPolarHBondContact O-CA 3.38Å; N184-W188 WeakPolarHBondContact O-CB 3.37Å; N184-W188 PolarHBondContact O-N 3.08Å; N184-W188 VanDerWaalsContact O-N 3.13Å; N184-V189 VanDerWaalsContact O-CG2 3.29Å; N184-V189 WeakPolarHBondContact O-CG2 3.49Å; N184-V189 PolarHBondContact O-N 3.2Å; N184-H251 PolarHBondContact OD1-CE1 3.05Å
185F98.5Very high98Very high18 Ų1840.8 Ų40.88%0.07920%0.202CC..Iπ-helixtrans-74.4-57.3-174.6-177.3-137000113.4M180 V181 V187 V189 L190 L248 H251M180-F185 VanDerWaalsContact O-CB 3.31Å; M180-F185 WeakPolarHBondContact O-CB 3.47Å; M180-F185 PolarHBondContact O-N 3.43Å; V181-F185 WeakPolarHBondContact O-CB 3.42Å; V181-F185 PolarHBondContact O-N 3.35Å; F185-V187 PolarHBondContact O-N 2.87Å; F185-V189 HydrophobicContact CD2-CB 3.88Å; F185-V189 HydrophobicContact CD2-CG1 3.83Å; F185-V189 HydrophobicContact CE2-CG1 4.12Å; F185-V189 WeakPolarHBondContact O-CB 3.25Å; F185-V189 PolarHBondContact O-N 3.02Å; F185-L190 HydrophobicContact CE2-CB 4.32Å; F185-L190 WeakPolarHBondContact O-CB 3.3Å; F185-L190 PolarHBondContact O-N 2.81Å; F185-L248 HydrophobicContact CE2-CD2 3.95Å; F185-L248 HydrophobicContact CZ-CD2 4.06Å; F185-H251 HydrophobicContact CD1-CB 4.03Å; F185-H251 HydrophobicContact CD2-CB 3.63Å; F185-H251 AromaticContact CD2-CD2 3.86Å; F185-H251 AromaticContact CD2-CG 3.43Å; F185-H251 VanDerWaalsContact CD2-CG 3.43Å; F185-H251 AromaticContact CD2-ND1 3.64Å; F185-H251 HydrophobicContact CE1-CB 4.06Å; F185-H251 HydrophobicContact CE2-CB 3.69Å; F185-H251 AromaticContact CE2-CG 3.86Å; F185-H251 HydrophobicContact CG-CB 3.84Å; F185-H251 AromaticContact CG-CG 3.84Å; F185-H251 AromaticContact CG-ND1 3.75Å; F185-H251 HydrophobicContact CZ-CB 3.91Å
186F98.5Very high98Very high80 Ų8040.8 Ų40.835%0.35120%0.202SC..Iπ-helixtrans-74.1-26.6-172.4-64.5-20.2000115V181 Y182 L190 P191 F259V181-F186 HydrophobicContact CG1-CD2 4.2Å; V181-F186 HydrophobicContact CG1-CE1 4.29Å; V181-F186 HydrophobicContact CG1-CE2 3.63Å; V181-F186 HydrophobicContact CG1-CZ 3.68Å; V181-F186 WeakPolarHBondContact O-CG 3.41Å; V181-F186 PolarHBondContact O-N 3.44Å; Y182-F186 AromaticContact CD1-CD2 3.93Å; Y182-F186 HydrophobicContact CD1-CD2 3.93Å; Y182-F186 AromaticContact CD1-CE2 4Å; Y182-F186 HydrophobicContact CD1-CE2 4Å; Y182-F186 HydrophobicContact CE1-CE2 4.32Å; Y182-F186 WeakPolarHBondContact O-CB 3.38Å; F186-L190 HydrophobicContact CD1-CD2 4.44Å; F186-P191 WeakPolarHBondContact O-CD 3.12Å; F186-P191 WeakPolarHBondContact O-CG 3.45Å; F186-F259 HydrophobicContact CE2-CZ 4.23Å; F186-F259 HydrophobicContact CZ-CE2 4.25Å; F186-F259 HydrophobicContact CZ-CZ 4.37Å
187V98.4Very high97.9Very high75 Ų7543.8 Ų43.846%0.45522%0.22SC..Iπ-helixtrans-97.6-45.1177.2177.60000111.7Y182 F183 F185 P191Y182-V187 WeakPolarHBondContact O-CG2 3.33Å; Y182-V187 PolarHBondContact O-N 3.09Å; F183-V187 WeakPolarHBondContact O-CB 3.46Å; F183-V187 PolarHBondContact O-N 2.83Å; F185-V187 PolarHBondContact O-N 2.87Å; V187-P191 VanDerWaalsContact O-CD 3.29Å; V187-P191 WeakPolarHBondContact O-CD 3.46Å; V187-P191 VanDerWaalsContact O-CG 3.31Å; V187-P191 WeakPolarHBondContact O-CG 3.47Å
188W98.4Very high98Very high60 Ų6048.1 Ų48.123%0.22724%0.243CC..Iπ-helixtrans-104-11.8-166.6-68.9112.6000116.2Q92 L134 V138 F183 N184 P192Q92-W188 PolarHBondContact NE2-O 3.45Å; L134-W188 HydrophobicContact CD1-CH2 3.67Å; L134-W188 HydrophobicContact CD1-CZ2 4.25Å; L134-W188 HydrophobicContact CD1-CZ3 4.15Å; L134-W188 HydrophobicContact CD2-CH2 3.91Å; L134-W188 HydrophobicContact CD2-CZ3 3.62Å; L134-W188 HydrophobicContact CG-CH2 4.06Å; L134-W188 HydrophobicContact CG-CZ3 4.01Å; V138-W188 HydrophobicContact CG1-CB 4.34Å; V138-W188 HydrophobicContact CG1-CG 4.06Å; V138-W188 HydrophobicContact CG2-CD2 3.62Å; V138-W188 HydrophobicContact CG2-CE3 4.2Å; V138-W188 HydrophobicContact CG2-CG 3.87Å; V138-W188 HydrophobicContact CG2-CZ2 4Å; F183-W188 AromaticContact CD1-CD1 3.82Å; F183-W188 AromaticContact CE1-CD1 3.67Å; F183-W188 AromaticContact CE1-NE1 3.53Å; F183-W188 AromaticContact CE2-NE1 3.44Å; F183-W188 AromaticContact CZ-CD1 3.82Å; F183-W188 AromaticContact CZ-NE1 3.19Å; F183-W188 PolarHBondContact O-N 2.97Å; N184-W188 CarbonylContact O-C 3.23Å; N184-W188 WeakPolarHBondContact O-CA 3.38Å; N184-W188 WeakPolarHBondContact O-CB 3.37Å; N184-W188 PolarHBondContact O-N 3.08Å; N184-W188 VanDerWaalsContact O-N 3.13Å; W188-P192 WeakPolarHBondContact O-CG 3.24Å
189V97.6Very high98Very high1 Ų144.3 Ų44.31%0.00623%0.225CC..Iπ-helixtrans-112.2-56.9178175.20000111I95 N184 F185 P192 L193I95-V189 HydrophobicContact CD1-CB 4.25Å; I95-V189 HydrophobicContact CD1-CG1 4.31Å; I95-V189 HydrophobicContact CD1-CG2 3.65Å; N184-V189 VanDerWaalsContact O-CG2 3.29Å; N184-V189 WeakPolarHBondContact O-CG2 3.49Å; N184-V189 PolarHBondContact O-N 3.2Å; F185-V189 HydrophobicContact CD2-CB 3.88Å; F185-V189 HydrophobicContact CD2-CG1 3.83Å; F185-V189 HydrophobicContact CE2-CG1 4.12Å; F185-V189 WeakPolarHBondContact O-CB 3.25Å; F185-V189 PolarHBondContact O-N 3.02Å; V189-P192 WeakPolarHBondContact O-CD 3.45Å; V189-L193 HydrophobicContact CG1-CD1 3.62Å; V189-L193 HydrophobicContact CG1-CG 4.34Å; V189-L193 WeakPolarHBondContact O-CB 3.47Å; V189-L193 VanDerWaalsContact O-CG 3.23Å; V189-L193 WeakPolarHBondContact O-CG 3.46Å; V189-L193 PolarHBondContact O-N 2.99Å
190L97.6Very high97.8Very high59 Ų5944.8 Ų44.831%0.30923%0.227SC..Hα-helixtrans-64.9-47.2-172-175.566.2000112.9F185 F186 L193 L194F185-L190 HydrophobicContact CE2-CB 4.32Å; F185-L190 WeakPolarHBondContact O-CB 3.3Å; F185-L190 PolarHBondContact O-N 2.81Å; F186-L190 HydrophobicContact CD1-CD2 4.44Å; L190-L193 PolarHBondContact O-N 3.17Å; L190-L194 HydrophobicContact CD1-CD1 4.28Å; L190-L194 HydrophobicContact CD1-CG 4.22Å; L190-L194 HydrophobicContact CG-CD1 4.04Å; L190-L194 HydrophobicContact CG-CG 4.39Å; L190-L194 VanDerWaalsContact O-CG 3.31Å; L190-L194 WeakPolarHBondContact O-CG 3.44Å; L190-L194 PolarHBondContact O-N 3.26Å
191P98.4Very high97.7Very high58 Ų5849.4 Ų49.438%0.37725%0.251SS..Hα-helixtrans-64.9-44.3179.3-1932.6000113.1F186 V187 L193 L194 L195F186-P191 WeakPolarHBondContact O-CD 3.12Å; F186-P191 WeakPolarHBondContact O-CG 3.45Å; V187-P191 VanDerWaalsContact O-CD 3.29Å; V187-P191 WeakPolarHBondContact O-CD 3.46Å; V187-P191 VanDerWaalsContact O-CG 3.31Å; V187-P191 WeakPolarHBondContact O-CG 3.47Å; P191-L193 VanDerWaalsContact C-N 3.34Å; P191-L193 PolarHBondContact O-N 3.16Å; P191-L194 PolarHBondContact O-N 3.16Å; P191-L195 VanDerWaalsContact O-CB 3.28Å; P191-L195 WeakPolarHBondContact O-CB 3.49Å; P191-L195 PolarHBondContact O-N 3.1Å
192P97.8Very high97.6Very high14 Ų1452.6 Ų52.69%0.09127%0.266CS..Hα-helixtrans-58.4-41.1171.1-30.339.7000113.8I95 L99 W188 V189 L195 M196I95-P192 HydrophobicContact CG2-CB 3.64Å; I95-P192 HydrophobicContact CG2-CG 4.2Å; L99-P192 HydrophobicContact CD2-CB 4.4Å; W188-P192 WeakPolarHBondContact O-CG 3.24Å; V189-P192 WeakPolarHBondContact O-CD 3.45Å; P192-L195 PolarHBondContact O-N 2.97Å; P192-M196 WeakPolarHBondContact O-CB 3.34Å; P192-M196 VanDerWaalsContact O-CG 3.28Å; P192-M196 WeakPolarHBondContact O-CG 3.35Å; P192-M196 PolarHBondContact O-N 3.13Å
193L96.8Very high97.4Very high13 Ų1347.8 Ų47.87%0.06825%0.248CC..Hα-helixtrans-61.4-49.7176.3-75.1173.7000111.9V189 L190 P191 L195 M196 V197 L240 F243 A244V189-L193 HydrophobicContact CG1-CD1 3.62Å; V189-L193 HydrophobicContact CG1-CG 4.34Å; V189-L193 WeakPolarHBondContact O-CB 3.47Å; V189-L193 VanDerWaalsContact O-CG 3.23Å; V189-L193 WeakPolarHBondContact O-CG 3.46Å; V189-L193 PolarHBondContact O-N 2.99Å; L190-L193 PolarHBondContact O-N 3.17Å; P191-L193 VanDerWaalsContact C-N 3.34Å; P191-L193 PolarHBondContact O-N 3.16Å; L193-L195 VanDerWaalsContact C-N 3.33Å; L193-L195 PolarHBondContact O-N 2.98Å; L193-M196 HydrophobicContact CD2-CE 3.84Å; L193-M196 HydrophobicContact CG-CE 4.46Å; L193-M196 PolarHBondContact O-N 3.49Å; L193-V197 WeakPolarHBondContact O-CG2 3.48Å; L193-V197 PolarHBondContact O-N 3.33Å; L193-L240 HydrophobicContact CD2-CD1 3.91Å; L193-F243 HydrophobicContact CD2-CD1 3.95Å; L193-F243 HydrophobicContact CD2-CE1 4.2Å; L193-A244 HydrophobicContact CD2-CB 4.5Å
194L97.8Very high97.2Very high100 Ų10047.5 Ų47.552%0.52425%0.246SC..Hα-helixtrans-61.2-43.1177.8-68.1174.9000111.3L190 P191 M196 V197 L198L190-L194 HydrophobicContact CD1-CD1 4.28Å; L190-L194 HydrophobicContact CD1-CG 4.22Å; L190-L194 HydrophobicContact CG-CD1 4.04Å; L190-L194 HydrophobicContact CG-CG 4.39Å; L190-L194 VanDerWaalsContact O-CG 3.31Å; L190-L194 WeakPolarHBondContact O-CG 3.44Å; L190-L194 PolarHBondContact O-N 3.26Å; P191-L194 PolarHBondContact O-N 3.16Å; L194-M196 PolarHBondContact O-N 3.09Å; L194-V197 PolarHBondContact O-N 3.41Å; L194-L198 WeakPolarHBondContact O-CG 3.32Å; L194-L198 PolarHBondContact O-N 3.22Å
195L98Very high97.1Very high82 Ų8253 Ų5343%0.42927%0.268SS..Hα-helixtrans-61.3-44.1176.3179.458.6000111.7L99 P191 P192 L193 V197 L198 I199L99-L195 HydrophobicContact CD1-CB 4.48Å; L99-L195 HydrophobicContact CD1-CD2 3.8Å; L99-L195 HydrophobicContact CD1-CG 3.99Å; L99-L195 HydrophobicContact CD2-CD2 4.36Å; P191-L195 VanDerWaalsContact O-CB 3.28Å; P191-L195 WeakPolarHBondContact O-CB 3.49Å; P191-L195 PolarHBondContact O-N 3.1Å; P192-L195 PolarHBondContact O-N 2.97Å; L193-L195 VanDerWaalsContact C-N 3.33Å; L193-L195 PolarHBondContact O-N 2.98Å; L195-V197 VanDerWaalsContact C-N 3.35Å; L195-V197 PolarHBondContact O-N 3.33Å; L195-L198 PolarHBondContact O-N 2.61Å; L195-I199 HydrophobicContact CD1-CD1 4.03Å; L195-I199 HydrophobicContact CD1-CG1 4.21Å; L195-I199 HydrophobicContact CG-CD1 3.84Å; L195-I199 HydrophobicContact CG-CG1 4.46Å; L195-I199 WeakPolarHBondContact O-CB 3.43Å; L195-I199 VanDerWaalsContact O-CG1 3.22Å; L195-I199 WeakPolarHBondContact O-CG1 3.39Å; L195-I199 PolarHBondContact O-N 2.94Å
196M97.2Very high96.7Very high1 Ų153 Ų531%0.00527%0.269CS..Hα-helixtrans-61.4-43175.7-75.3-171.9-77.500112L98 L99 A102 P192 L193 L194 I199 Y200 L240L98-M196 HydrophobicContact CB-CE 4.27Å; L98-M196 HydrophobicContact CB-SD 3.59Å; L98-M196 VanDerWaalsContact CB-SD 3.59Å; L99-M196 VanDerWaalsContact CA-SD 3.56Å; L99-M196 HydrophobicContact CB-CG 4.1Å; L99-M196 HydrophobicContact CB-SD 4.11Å; L99-M196 HydrophobicContact CD1-CG 3.65Å; L99-M196 HydrophobicContact CG-CG 4.5Å; L99-M196 PolarHBondContact N-SD 3.47Å; A102-M196 HydrophobicContact CB-CB 4.43Å; A102-M196 HydrophobicContact CB-CG 4Å; P192-M196 WeakPolarHBondContact O-CB 3.34Å; P192-M196 VanDerWaalsContact O-CG 3.28Å; P192-M196 WeakPolarHBondContact O-CG 3.35Å; P192-M196 PolarHBondContact O-N 3.13Å; L193-M196 HydrophobicContact CD2-CE 3.84Å; L193-M196 HydrophobicContact CG-CE 4.46Å; L193-M196 PolarHBondContact O-N 3.49Å; L194-M196 PolarHBondContact O-N 3.09Å; M196-I199 PolarHBondContact O-N 3.37Å; M196-Y200 WeakPolarHBondContact O-CD2 2.9Å; M196-Y200 PolarHBondContact O-N 3.07Å; M196-L240 HydrophobicContact CB-CD1 4.05Å; M196-L240 HydrophobicContact CB-CD2 3.71Å; M196-L240 HydrophobicContact CE-CD1 3.61Å; M196-L240 HydrophobicContact SD-CD1 3.79Å
197V96.8Very high96.3Very high71 Ų7149.2 Ų49.243%0.4325%0.252SS..Hα-helixtrans-58.9-49.3175.5170.70000110.4L193 L194 L195 I199 Y200 L201 L240L193-V197 WeakPolarHBondContact O-CG2 3.48Å; L193-V197 PolarHBondContact O-N 3.33Å; L194-V197 PolarHBondContact O-N 3.41Å; L195-V197 VanDerWaalsContact C-N 3.35Å; L195-V197 PolarHBondContact O-N 3.33Å; V197-I199 VanDerWaalsContact C-N 3.33Å; V197-I199 PolarHBondContact O-N 3.06Å; V197-Y200 PolarHBondContact O-N 2.91Å; V197-L201 HydrophobicContact CG1-CD1 4.05Å; V197-L201 HydrophobicContact CG1-CG 4.42Å; V197-L201 VanDerWaalsContact O-CG 3.31Å; V197-L201 WeakPolarHBondContact O-CG 3.41Å; V197-L201 PolarHBondContact O-N 3.24Å; V197-L240 HydrophobicContact CG2-CD2 4.17Å
198L97.8Very high95.9Very high113 Ų11353.4 Ų53.459%0.59226%0.259SS*.Hα-helixtrans-59.4-43.1177.4-69.5174000112.1L194 L195 Y200 L201 E202L194-L198 WeakPolarHBondContact O-CG 3.32Å; L194-L198 PolarHBondContact O-N 3.22Å; L195-L198 PolarHBondContact O-N 2.61Å; L198-Y200 PolarHBondContact O-N 2.89Å; L198-L201 PolarHBondContact O-N 3.48Å; L198-E202 PolarHBondContact O-N 3.43Å
199I97.5Very high95.4Very high21 Ų2154.7 Ų54.711%0.10827%0.267CS..Hα-helixtrans-60.4-46.7176.5-72.7166.7000110.9L99 A102 V103 Y106 L195 M196 V197 E202 V203L99-I199 HydrophobicContact CD1-CD1 4.11Å; A102-I199 HydrophobicContact CB-CB 4.47Å; A102-I199 HydrophobicContact CB-CD1 4.46Å; A102-I199 HydrophobicContact CB-CG2 4.01Å; A102-I199 WeakPolarHBondContact O-CG2 3.29Å; V103-I199 HydrophobicContact CG2-CD1 3.83Å; Y106-I199 HydrophobicContact CG-CG2 4.45Å; L195-I199 HydrophobicContact CD1-CD1 4.03Å; L195-I199 HydrophobicContact CD1-CG1 4.21Å; L195-I199 HydrophobicContact CG-CD1 3.84Å; L195-I199 HydrophobicContact CG-CG1 4.46Å; L195-I199 WeakPolarHBondContact O-CB 3.43Å; L195-I199 VanDerWaalsContact O-CG1 3.22Å; L195-I199 WeakPolarHBondContact O-CG1 3.39Å; L195-I199 PolarHBondContact O-N 2.94Å; M196-I199 PolarHBondContact O-N 3.37Å; V197-I199 VanDerWaalsContact C-N 3.33Å; V197-I199 PolarHBondContact O-N 3.06Å; I199-E202 PolarHBondContact O-N 2.96Å; I199-V203 HydrophobicContact CG2-CG2 4.35Å; I199-V203 WeakPolarHBondContact O-CB 3.41Å; I199-V203 VanDerWaalsContact O-CG2 3.3Å; I199-V203 WeakPolarHBondContact O-CG2 3.44Å; I199-V203 PolarHBondContact O-N 3.38Å
200Y95.5Very high94.8Very high10 Ų1057.7 Ų57.74%0.03928%0.281CS..Hα-helixtrans-66.7-38.2179.3-83.1-67.2000112.4A102 M196 V197 L198 E202 V203 F204 L236 A237 L240A102-Y200 HydrophobicContact CB-CD2 4.43Å; A102-Y200 HydrophobicContact CB-CE2 3.81Å; M196-Y200 WeakPolarHBondContact O-CD2 2.9Å; M196-Y200 PolarHBondContact O-N 3.07Å; V197-Y200 PolarHBondContact O-N 2.91Å; L198-Y200 PolarHBondContact O-N 2.89Å; Y200-E202 VanDerWaalsContact C-N 3.33Å; Y200-E202 PolarHBondContact O-N 3.07Å; Y200-V203 PolarHBondContact O-N 2.98Å; Y200-F204 WeakPolarHBondContact O-CD2 3.47Å; Y200-F204 WeakPolarHBondContact O-CG 3.2Å; Y200-F204 PolarHBondContact O-N 2.87Å; Y200-L236 HydrophobicContact CE1-CB 4.12Å; Y200-L236 VanDerWaalsContact OH-CB 3.22Å; Y200-L236 WeakPolarHBondContact OH-CB 3.4Å; Y200-A237 HydrophobicContact CD1-CB 4.06Å; Y200-A237 HydrophobicContact CE1-CB 4.34Å; Y200-A237 HydrophobicContact CG-CB 4.24Å; Y200-L240 HydrophobicContact CD2-CD2 3.6Å; Y200-L240 HydrophobicContact CE2-CB 4.37Å; Y200-L240 HydrophobicContact CE2-CD2 3.85Å
201L96.1Very high94.1Very high105 Ų10556.5 Ų56.555%0.5527%0.274SS..Hα-helixtrans-58.4-46.5173.3-70.6173.5000111.1V197 L198 F204 Y205V197-L201 HydrophobicContact CG1-CD1 4.05Å; V197-L201 HydrophobicContact CG1-CG 4.42Å; V197-L201 VanDerWaalsContact O-CG 3.31Å; V197-L201 WeakPolarHBondContact O-CG 3.41Å; V197-L201 PolarHBondContact O-N 3.24Å; L198-L201 PolarHBondContact O-N 3.48Å; L201-F204 PolarHBondContact O-N 2.88Å; L201-Y205 WeakPolarHBondContact O-CB 3.19Å; L201-Y205 PolarHBondContact O-N 2.79Å
202E96.2Very high93.4Very high67 Ų6759.3 Ų59.331%0.31329%0.286SS..Hα-helixtrans-65.6-40.3176.7-17964-171.300111.9Y106 L198 I199 Y200 F204 Y205 L206Y106-E202 HydrophobicContact CD2-CG 4.2Å; Y106-E202 HydrophobicContact CE2-CB 4.46Å; Y106-E202 HydrophobicContact CE2-CG 3.57Å; L198-E202 PolarHBondContact O-N 3.43Å; I199-E202 PolarHBondContact O-N 2.96Å; Y200-E202 VanDerWaalsContact C-N 3.33Å; Y200-E202 PolarHBondContact O-N 3.07Å; E202-F204 PolarHBondContact O-N 3.33Å; E202-Y205 PolarHBondContact O-N 3Å; E202-L206 HydrophobicContact CG-CD1 4.05Å; E202-L206 HydrophobicContact CG-CG 4.35Å; E202-L206 WeakPolarHBondContact O-CB 3.47Å; E202-L206 VanDerWaalsContact O-CG 3.27Å; E202-L206 WeakPolarHBondContact O-CG 3.49Å; E202-L206 PolarHBondContact O-N 2.76Å
203V94.4Very high92.3Very high1 Ų165.6 Ų65.61%0.00631%0.312CS..Hα-helixtrans-57.9-48.6173.2165.20000110.8Y106 V109 I199 Y200 Y205 L206 I207 A233Y106-V203 HydrophobicContact CD2-CG2 4.21Å; V109-V203 HydrophobicContact CG2-CG1 4.31Å; I199-V203 HydrophobicContact CG2-CG2 4.35Å; I199-V203 WeakPolarHBondContact O-CB 3.41Å; I199-V203 VanDerWaalsContact O-CG2 3.3Å; I199-V203 WeakPolarHBondContact O-CG2 3.44Å; I199-V203 PolarHBondContact O-N 3.38Å; Y200-V203 PolarHBondContact O-N 2.98Å; V203-Y205 PolarHBondContact O-N 3.42Å; V203-L206 PolarHBondContact O-N 3.15Å; V203-I207 HydrophobicContact CG1-CD1 3.75Å; V203-I207 WeakPolarHBondContact O-CB 3.33Å; V203-I207 VanDerWaalsContact O-CG1 3.24Å; V203-I207 WeakPolarHBondContact O-CG1 3.5Å; V203-I207 PolarHBondContact O-N 3.48Å; V203-A233 HydrophobicContact CG1-CB 4.01Å
204F94.4Very high90.8Very high43 Ų4368.8 Ų68.819%0.18933%0.326CS..Hα-helixtrans-64.7-40.2178.4-70.8-54.5000112.1Y200 L201 E202 R208 L230 A233 K234 A237Y200-F204 WeakPolarHBondContact O-CD2 3.47Å; Y200-F204 WeakPolarHBondContact O-CG 3.2Å; Y200-F204 PolarHBondContact O-N 2.87Å; L201-F204 PolarHBondContact O-N 2.88Å; E202-F204 PolarHBondContact O-N 3.33Å; F204-R208 WeakPolarHBondContact O-CB 3.36Å; F204-R208 VanDerWaalsContact O-CG 3.3Å; F204-R208 WeakPolarHBondContact O-CG 3.29Å; F204-R208 PolarHBondContact O-N 3.05Å; F204-L230 HydrophobicContact CD1-CD1 3.67Å; F204-L230 HydrophobicContact CE1-CD1 3.9Å; F204-A233 HydrophobicContact CE1-CB 3.89Å; F204-A233 HydrophobicContact CZ-CB 4.31Å; F204-K234 HydrophobicContact CE1-CG 3.9Å; F204-K234 HydrophobicContact CZ-CG 4.28Å; F204-A237 HydrophobicContact CE2-CB 4.03Å; F204-A237 HydrophobicContact CZ-CB 3.89Å
205Y94.5Very high88.9Confident121 Ų12169 Ų6948%0.47533%0.331SS..Hα-helixtrans-59.7-51.2175170.7-101.5000111.5L201 E202 V203 I207 R208 K209L201-Y205 WeakPolarHBondContact O-CB 3.19Å; L201-Y205 PolarHBondContact O-N 2.79Å; E202-Y205 PolarHBondContact O-N 3Å; V203-Y205 PolarHBondContact O-N 3.42Å; Y205-I207 PolarHBondContact O-N 3.02Å; Y205-R208 PolarHBondContact O-N 3.2Å; Y205-K209 HydrophobicContact CE1-CD 4Å; Y205-K209 WeakPolarHBondContact O-CB 3.32Å; Y205-K209 PolarHBondContact O-N 2.86Å; Y205-K209 PolarHBondContact OH-NZ 3.26Å
206L91.9Very high86.8Confident19 Ų1970.5 Ų70.510%0.09935%0.348CS..Hα-helixtrans-62-43.7-179.4-70.8173.1000112.1Y106 V109 K110 E202 V203 K209 Q210Y106-L206 HydrophobicContact CE2-CD1 4.02Å; V109-L206 HydrophobicContact CG1-CB 3.66Å; V109-L206 HydrophobicContact CG1-CD1 4.28Å; K110-L206 HydrophobicContact CB-CD1 4.41Å; K110-L206 HydrophobicContact CD-CD1 3.85Å; E202-L206 HydrophobicContact CG-CD1 4.05Å; E202-L206 HydrophobicContact CG-CG 4.35Å; E202-L206 WeakPolarHBondContact O-CB 3.47Å; E202-L206 VanDerWaalsContact O-CG 3.27Å; E202-L206 WeakPolarHBondContact O-CG 3.49Å; E202-L206 PolarHBondContact O-N 2.76Å; V203-L206 PolarHBondContact O-N 3.15Å; L206-K209 PolarHBondContact O-N 2.81Å; L206-Q210 WeakPolarHBondContact O-CB 3.45Å; L206-Q210 VanDerWaalsContact O-CG 3.28Å; L206-Q210 WeakPolarHBondContact O-CG 3.43Å; L206-Q210 PolarHBondContact O-N 3.34Å
207I90.2Very high84.9Confident0 Ų073 Ų730%037%0.369CS..Hα-helixtrans-61.2-48.5177.1-69.2170.5000110.5V109 V203 Y205 K209 Q210 L211 E229 L230 A233V109-I207 HydrophobicContact CG1-CG1 3.82Å; V109-I207 HydrophobicContact CG2-CD1 4.07Å; V109-I207 HydrophobicContact CG2-CG1 4.01Å; V203-I207 HydrophobicContact CG1-CD1 3.75Å; V203-I207 WeakPolarHBondContact O-CB 3.33Å; V203-I207 VanDerWaalsContact O-CG1 3.24Å; V203-I207 WeakPolarHBondContact O-CG1 3.5Å; V203-I207 PolarHBondContact O-N 3.48Å; Y205-I207 PolarHBondContact O-N 3.02Å; I207-K209 VanDerWaalsContact C-N 3.35Å; I207-K209 PolarHBondContact O-N 2.83Å; I207-Q210 PolarHBondContact O-N 2.68Å; I207-L211 HydrophobicContact CG2-CD1 3.87Å; I207-L211 HydrophobicContact CG2-CG 4.42Å; I207-L211 VanDerWaalsContact O-CG 3.31Å; I207-L211 WeakPolarHBondContact O-CG 3.49Å; I207-L211 PolarHBondContact O-N 3.05Å; I207-E229 HydrophobicContact CD1-CB 4.39Å; I207-L230 HydrophobicContact CD1-CD1 4.49Å; I207-L230 HydrophobicContact CG2-CB 4Å; I207-L230 HydrophobicContact CG2-CD1 4.12Å; I207-L230 HydrophobicContact CG2-CG 4.46Å; I207-A233 HydrophobicContact CD1-CB 4.38Å
208R88.8Confident82.8Confident162 Ų16276 Ų7661%0.61139%0.393SS*.Hα-helixtrans-62.9-41.2179.2-73.6178.5-178.1-170.92.6111.9F204 Y205 Q210 L211 N212F204-R208 WeakPolarHBondContact O-CB 3.36Å; F204-R208 VanDerWaalsContact O-CG 3.3Å; F204-R208 WeakPolarHBondContact O-CG 3.29Å; F204-R208 PolarHBondContact O-N 3.05Å; Y205-R208 PolarHBondContact O-N 3.2Å; R208-Q210 PolarHBondContact O-N 3.44Å; R208-L211 PolarHBondContact O-N 3.04Å; R208-N212 WeakPolarHBondContact O-CB 3.41Å; R208-N212 VanDerWaalsContact O-CG 3.27Å; R208-N212 PolarHBondContact O-N 3.09Å; R208-N212 PolarHBondContact O-OD1 3.21Å
209K88.8Confident80.9Confident88 Ų8873.2 Ų73.238%0.38338%0.383SS..Hα-helixtrans-60.8-43176.3-174.8175.8-172.1165.80112.1Y205 L206 I207 K213Y205-K209 HydrophobicContact CE1-CD 4Å; Y205-K209 WeakPolarHBondContact O-CB 3.32Å; Y205-K209 PolarHBondContact O-N 2.86Å; Y205-K209 PolarHBondContact OH-NZ 3.26Å; L206-K209 PolarHBondContact O-N 2.81Å; I207-K209 VanDerWaalsContact C-N 3.35Å; I207-K209 PolarHBondContact O-N 2.83Å; K209-K213 WeakPolarHBondContact O-CB 3.47Å; K209-K213 PolarHBondContact O-N 2.73Å
210Q84.8Confident79.3Confident63 Ų6375.2 Ų75.229%0.29441%0.408SS..Hα-helixtrans-69.7-37178.2-70.5-68.9-10.200112.5L206 I207 R208 Y226L206-Q210 WeakPolarHBondContact O-CB 3.45Å; L206-Q210 VanDerWaalsContact O-CG 3.28Å; L206-Q210 WeakPolarHBondContact O-CG 3.43Å; L206-Q210 PolarHBondContact O-N 3.34Å; I207-Q210 PolarHBondContact O-N 2.68Å; R208-Q210 PolarHBondContact O-N 3.44Å; Q210-Y226 HydrophobicContact CB-CD1 4.27Å; Q210-Y226 HydrophobicContact CB-CD2 4.1Å; Q210-Y226 HydrophobicContact CB-CE1 4.05Å; Q210-Y226 HydrophobicContact CB-CE2 3.89Å; Q210-Y226 HydrophobicContact CB-CG 4.3Å; Q210-Y226 HydrophobicContact CG-CE1 4.04Å; Q210-Y226 HydrophobicContact CG-CE2 4.32Å
211L83.1Confident78Confident34 Ų3481 Ų8118%0.17844%0.44CS..Hα-helixtrans-63.9-49172.9-71170.4000110.6I207 R208 K213 K214 V215 Q223I207-L211 HydrophobicContact CG2-CD1 3.87Å; I207-L211 HydrophobicContact CG2-CG 4.42Å; I207-L211 VanDerWaalsContact O-CG 3.31Å; I207-L211 WeakPolarHBondContact O-CG 3.49Å; I207-L211 PolarHBondContact O-N 3.05Å; R208-L211 PolarHBondContact O-N 3.04Å; L211-K213 PolarHBondContact O-N 3.09Å; L211-K214 PolarHBondContact O-N 3.25Å; L211-V215 WeakPolarHBondContact O-CG2 3.06Å; L211-V215 PolarHBondContact O-N 3.02Å; L211-Q223 HydrophobicContact CD2-CG 4.04Å
212N82.3Confident76.8Confident118 Ų11877.7 Ų77.763%0.63143%0.425SS*.Hα-helixtrans-66.1-39.7-177.7-70.80.8000113.3R208 K214R208-N212 WeakPolarHBondContact O-CB 3.41Å; R208-N212 VanDerWaalsContact O-CG 3.27Å; R208-N212 PolarHBondContact O-N 3.09Å; R208-N212 PolarHBondContact O-OD1 3.21Å; N212-K214 PolarHBondContact O-N 3.22Å
213K76.4Confident75.9Confident146 Ų14679.3 Ų79.364%0.63543%0.432SS*.Hα-helixtrans-62.5-21.7177.9-88.5-167.2171.4-166.10114K209 L211K209-K213 WeakPolarHBondContact O-CB 3.47Å; K209-K213 PolarHBondContact O-N 2.73Å; L211-K213 PolarHBondContact O-N 3.09Å
214K64.4Low75.2Confident80 Ų8085.6 Ų85.635%0.34846%0.46SS..Hα-helixtrans-113.9-4.6-170.5-65.6-169.2176.3-163.40114.5L211 N212 S216 A217 P222L211-K214 PolarHBondContact O-N 3.25Å; N212-K214 PolarHBondContact O-N 3.22Å; K214-S216 PolarHBondContact O-N 2.97Å; K214-A217 CarbonylContact O-C 3.47Å; K214-A217 PolarHBondContact O-N 3.09Å; K214-P222 HydrophobicContact CD-CB 4.19Å
215V57.3Low74.6Confident104 Ų10487.7 Ų87.763%0.6347%0.467SS*.Hα-helixtrans-59-26.7161.7176.80000110.6L211L211-V215 WeakPolarHBondContact O-CG2 3.06Å; L211-V215 PolarHBondContact O-N 3.02Å
216S54.8Low74.1Confident114 Ų11482.9 Ų82.980%0.79745%0.448SS*.THydrogen-bonded Turntrans-82.8-4.7174.8-510000115K214K214-S216 PolarHBondContact O-N 2.97Å
217A57.3Low73.6Confident54 Ų5483.2 Ų83.245%0.44646%0.456SS..SBendtrans-137.998.1-178.100000110.6K214 S219K214-A217 CarbonylContact O-C 3.47Å; K214-A217 PolarHBondContact O-N 3.09Å; A217-S219 PolarHBondContact O-N 2.79Å; A217-S219 PolarHBondContact O-OG 3.4Å
218S53.3Low73.3Confident132 Ų13289.1 Ų89.192%0.92348%0.482SS*.  trans-57.288.3-170.564.90000114.2
219S56.7Low73.1Confident56 Ų5682.4 Ų82.439%0.39246%0.457SS..  trans-142.4111.817246.90000109.8A217 D221 P222A217-S219 PolarHBondContact O-N 2.79Å; A217-S219 PolarHBondContact O-OG 3.4Å; S219-D221 PolarHBondContact O-N 2.91Å; S219-P222 WeakPolarHBondContact O-CD 3.27Å
220G63.5Low73.1Confident62 Ų6279.8 Ų79.864%0.63945%0.448SS*.Hα-helixtrans-73.5-21.2-171.100000115.6K224G220-K224 PolarHBondContact O-N 3.45Å
221D68.7Low73.2Confident133 Ų13384.2 Ų84.271%0.71147%0.466SS*.Hα-helixtrans-75.1-44-172.6-153.917.7000113.6S219 Q223 K224 Y225S219-D221 PolarHBondContact O-N 2.91Å; D221-Q223 PolarHBondContact O-N 3.31Å; D221-K224 PolarHBondContact O-N 3.4Å; D221-Y225 PolarHBondContact O-N 3.28Å; D221-Y225 VanDerWaalsContact O-N 3.13Å
222P71.1Confident73.3Confident34 Ų3485.5 Ų85.522%0.22147%0.472CS..Hα-helixtrans-64.5-37.6174.5-22.334.4000113.5K214 S219 K224 Y225 Y226K214-P222 HydrophobicContact CD-CB 4.19Å; S219-P222 WeakPolarHBondContact O-CD 3.27Å; P222-K224 VanDerWaalsContact C-N 3.34Å; P222-K224 PolarHBondContact O-N 3.07Å; P222-Y225 PolarHBondContact O-N 3.45Å; P222-Y226 WeakPolarHBondContact O-CD2 3.38Å; P222-Y226 PolarHBondContact O-N 3.49Å
223Q77.3Confident73.5Confident101 Ų10180 Ų8047%0.47244%0.443SS..Hα-helixtrans-66.8-37.9-179.9-172159.1-7.700111.5L211 D221 G227L211-Q223 HydrophobicContact CD2-CG 4.04Å; D221-Q223 PolarHBondContact O-N 3.31Å; Q223-G227 PolarHBondContact O-N 3.04Å
224K80.5Confident74.2Confident134 Ų13478.2 Ų78.258%0.58344%0.435SS*.Hα-helixtrans-64.9-39.3173.2-167.7176.5-175177.20112G220 D221 P222 K228G220-K224 PolarHBondContact O-N 3.45Å; D221-K224 PolarHBondContact O-N 3.4Å; P222-K224 VanDerWaalsContact C-N 3.34Å; P222-K224 PolarHBondContact O-N 3.07Å; K224-K228 WeakPolarHBondContact O-CG 3.47Å; K224-K228 PolarHBondContact O-N 3.44Å
225Y82.2Confident75.3Confident87 Ų8774.6 Ų74.634%0.34142%0.42SS..Hα-helixtrans-64.2-57.2175.8176.1-100.4000112.2D221 P222 G227 K228 E229D221-Y225 PolarHBondContact O-N 3.28Å; D221-Y225 VanDerWaalsContact O-N 3.13Å; P222-Y225 PolarHBondContact O-N 3.45Å; Y225-G227 VanDerWaalsContact C-N 3.28Å; Y225-G227 PolarHBondContact O-N 2.94Å; Y225-K228 WeakPolarHBondContact O-CB 3.45Å; Y225-K228 PolarHBondContact O-N 3.32Å; Y225-E229 HydrophobicContact CD1-CG 4.4Å; Y225-E229 HydrophobicContact CE1-CG 3.91Å; Y225-E229 HydrophobicContact CE2-CG 4.11Å; Y225-E229 PolarHBondContact O-N 2.91Å
226Y82.3Confident76.7Confident20 Ų2069.9 Ų69.98%0.07839%0.391CS..Hα-helixtrans-65.1-31.1-178.4-72.6-68.6000112.9Q210 P222 E229 L230Q210-Y226 HydrophobicContact CB-CD1 4.27Å; Q210-Y226 HydrophobicContact CB-CD2 4.1Å; Q210-Y226 HydrophobicContact CB-CE1 4.05Å; Q210-Y226 HydrophobicContact CB-CE2 3.89Å; Q210-Y226 HydrophobicContact CB-CG 4.3Å; Q210-Y226 HydrophobicContact CG-CE1 4.04Å; Q210-Y226 HydrophobicContact CG-CE2 4.32Å; P222-Y226 WeakPolarHBondContact O-CD2 3.38Å; P222-Y226 PolarHBondContact O-N 3.49Å; Y226-E229 PolarHBondContact O-N 3.38Å; Y226-L230 WeakPolarHBondContact O-CB 3.34Å; Y226-L230 PolarHBondContact O-N 3.42Å
227G83.1Confident78.4Confident26 Ų2665.5 Ų65.527%0.26836%0.362SS..Hα-helixtrans-64.1-38171.700000113.3Q223 Y225 K231Q223-G227 PolarHBondContact O-N 3.04Å; Y225-G227 VanDerWaalsContact C-N 3.28Å; Y225-G227 PolarHBondContact O-N 2.94Å; G227-K231 PolarHBondContact O-N 3.32Å
228K83.6Confident80.1Confident123 Ų12366 Ų6654%0.53536%0.357SS..Hα-helixtrans-67.8-46.8173.1-74.5174.3178.1-179.10111.4K224 Y225 L230 K231 I232K224-K228 WeakPolarHBondContact O-CG 3.47Å; K224-K228 PolarHBondContact O-N 3.44Å; Y225-K228 WeakPolarHBondContact O-CB 3.45Å; Y225-K228 PolarHBondContact O-N 3.32Å; K228-L230 VanDerWaalsContact C-N 3.27Å; K228-L230 PolarHBondContact O-N 3.06Å; K228-K231 PolarHBondContact O-N 3.01Å; K228-K231 VanDerWaalsContact O-N 3.14Å; K228-I232 WeakPolarHBondContact O-CG1 3.42Å; K228-I232 PolarHBondContact O-N 3.03Å; K228-I232 VanDerWaalsContact O-N 3.12Å
229E84.8Confident81.9Confident21 Ų2159.9 Ų59.910%0.09831%0.313CS..Hα-helixtrans-59.6-38.1177.2-70.7-59.5138.900111.8R105 I207 Y225 Y226 K231 I232 A233R105-E229 IonicContact CZ-OE2 3.38Å; R105-E229 IonicContact NH1-OE1 3.3Å; R105-E229 IonicContact NH1-OE2 3.42Å; R105-E229 PolarHBondContact NH1-OE2 3.26Å; I207-E229 HydrophobicContact CD1-CB 4.39Å; Y225-E229 HydrophobicContact CD1-CG 4.4Å; Y225-E229 HydrophobicContact CE1-CG 3.91Å; Y225-E229 HydrophobicContact CE2-CG 4.11Å; Y225-E229 PolarHBondContact O-N 2.91Å; Y226-E229 PolarHBondContact O-N 3.38Å; E229-K231 PolarHBondContact O-N 2.93Å; E229-I232 PolarHBondContact O-N 3.23Å; E229-A233 WeakPolarHBondContact O-CB 3.02Å; E229-A233 PolarHBondContact O-N 3.48Å
230L87.8Confident83.6Confident34 Ų3457.8 Ų57.818%0.17830%0.298CS..Hα-helixtrans-60.9-43.8174.7-174.458.7000112.6F204 I207 Y226 K228 I232 A233 K234F204-L230 HydrophobicContact CD1-CD1 3.67Å; F204-L230 HydrophobicContact CE1-CD1 3.9Å; I207-L230 HydrophobicContact CD1-CD1 4.49Å; I207-L230 HydrophobicContact CG2-CB 4Å; I207-L230 HydrophobicContact CG2-CD1 4.12Å; I207-L230 HydrophobicContact CG2-CG 4.46Å; Y226-L230 WeakPolarHBondContact O-CB 3.34Å; Y226-L230 PolarHBondContact O-N 3.42Å; K228-L230 VanDerWaalsContact C-N 3.27Å; K228-L230 PolarHBondContact O-N 3.06Å; L230-I232 VanDerWaalsContact C-N 3.32Å; L230-A233 PolarHBondContact O-N 2.82Å; L230-K234 WeakPolarHBondContact O-CG 3.48Å; L230-K234 PolarHBondContact O-N 2.89Å
231K86.9Confident85.1Confident156 Ų15660.6 Ų60.668%0.67829%0.293SS*.Hα-helixtrans-63.4-41.2178.5-72.6-179.1-177.3-177.10111G227 K228 E229 S235G227-K231 PolarHBondContact O-N 3.32Å; K228-K231 PolarHBondContact O-N 3.01Å; K228-K231 VanDerWaalsContact O-N 3.14Å; E229-K231 PolarHBondContact O-N 2.93Å; K231-S235 PolarHBondContact O-N 3.27Å; K231-S235 PolarHBondContact O-OG 3.19Å
232I84.3Confident86.3Confident61 Ų6156 Ų5631%0.31327%0.268SS..Hα-helixtrans-66.7-48.4177.3-63.1169.4000110.2K228 E229 L230 K234 S235 L236K228-I232 WeakPolarHBondContact O-CG1 3.42Å; K228-I232 PolarHBondContact O-N 3.03Å; K228-I232 VanDerWaalsContact O-N 3.12Å; E229-I232 PolarHBondContact O-N 3.23Å; L230-I232 VanDerWaalsContact C-N 3.32Å; I232-K234 VanDerWaalsContact C-N 3.32Å; I232-K234 PolarHBondContact O-N 3.5Å; I232-S235 WeakPolarHBondContact O-CB 3.46Å; I232-S235 PolarHBondContact O-N 3.2Å; I232-L236 HydrophobicContact CG2-CD1 3.83Å; I232-L236 HydrophobicContact CG2-CG 4.33Å; I232-L236 WeakPolarHBondContact O-CG 3.43Å; I232-L236 PolarHBondContact O-N 3.32Å
233A87.3Confident87.4Confident2 Ų254.5 Ų54.52%0.01726%0.258CS..Hα-helixtrans-58.2-41.7178.500000112.3V203 F204 I207 E229 L230 S235 L236 A237V203-A233 HydrophobicContact CG1-CB 4.01Å; F204-A233 HydrophobicContact CE1-CB 3.89Å; F204-A233 HydrophobicContact CZ-CB 4.31Å; I207-A233 HydrophobicContact CD1-CB 4.38Å; E229-A233 WeakPolarHBondContact O-CB 3.02Å; E229-A233 PolarHBondContact O-N 3.48Å; L230-A233 PolarHBondContact O-N 2.82Å; A233-S235 VanDerWaalsContact C-N 3.29Å; A233-S235 PolarHBondContact O-N 2.9Å; A233-L236 PolarHBondContact O-N 3.41Å; A233-A237 VanDerWaalsContact O-CB 3.26Å; A233-A237 WeakPolarHBondContact O-CB 3.49Å; A233-A237 PolarHBondContact O-N 2.99Å
234K90.4Very high88.2Confident109 Ų10950.7 Ų50.747%0.47424%0.244SC..Hα-helixtrans-59.7-38.8173.9-76.6-178.5177.7-1740112.7F204 L230 I232 L238F204-K234 HydrophobicContact CE1-CG 3.9Å; F204-K234 HydrophobicContact CZ-CG 4.28Å; L230-K234 WeakPolarHBondContact O-CG 3.48Å; L230-K234 PolarHBondContact O-N 2.89Å; I232-K234 VanDerWaalsContact C-N 3.32Å; I232-K234 PolarHBondContact O-N 3.5Å; K234-L238 WeakPolarHBondContact O-CB 3.41Å; K234-L238 PolarHBondContact O-N 3.4Å
235S88.8Confident89Confident3 Ų348.9 Ų48.92%0.02124%0.24CC..Hα-helixtrans-72.1-39.4179.9-56.40000112.1K231 I232 A233 L238 I239 R291K231-S235 PolarHBondContact O-N 3.27Å; K231-S235 PolarHBondContact O-OG 3.19Å; I232-S235 WeakPolarHBondContact O-CB 3.46Å; I232-S235 PolarHBondContact O-N 3.2Å; A233-S235 VanDerWaalsContact C-N 3.29Å; A233-S235 PolarHBondContact O-N 2.9Å; S235-L238 WeakPolarHBondContact O-CB 3.3Å; S235-L238 PolarHBondContact O-N 3.3Å; S235-I239 WeakPolarHBondContact O-CG1 3.44Å; S235-I239 PolarHBondContact O-N 3.41Å; S235-R291 WeakPolarHBondContact OG-CB 3.19Å; S235-R291 PolarHBondContact OG-NE 3.3Å
236L86.2Confident89.7Confident6 Ų644.9 Ų44.93%0.03123%0.225CC..Hα-helixtrans-73.6-34176.7-59.8169.9000112.1I101 R105 Y200 I232 A233 L238 I239 L240I101-L236 HydrophobicContact CG2-CD1 3.95Å; I101-L236 HydrophobicContact CG2-CD2 4.09Å; I101-L236 HydrophobicContact CG2-CG 4.46Å; R105-L236 HydrophobicContact CG-CD1 3.5Å; Y200-L236 HydrophobicContact CE1-CB 4.12Å; Y200-L236 VanDerWaalsContact OH-CB 3.22Å; Y200-L236 WeakPolarHBondContact OH-CB 3.4Å; I232-L236 HydrophobicContact CG2-CD1 3.83Å; I232-L236 HydrophobicContact CG2-CG 4.33Å; I232-L236 WeakPolarHBondContact O-CG 3.43Å; I232-L236 PolarHBondContact O-N 3.32Å; A233-L236 PolarHBondContact O-N 3.41Å; L236-L238 VanDerWaalsContact C-N 3.32Å; L236-I239 HydrophobicContact CD2-CD1 4.23Å; L236-I239 WeakPolarHBondContact O-CB 3.41Å; L236-I239 PolarHBondContact O-N 3.38Å; L236-L240 PolarHBondContact O-N 3.2Å
237A90.6Very high90.4Very high22 Ų2245 Ų4518%0.18223%0.225CC..Hα-helixtrans-65.3-3517100000112.2Y200 F204 A233 I239 L240 F241Y200-A237 HydrophobicContact CD1-CB 4.06Å; Y200-A237 HydrophobicContact CE1-CB 4.34Å; Y200-A237 HydrophobicContact CG-CB 4.24Å; F204-A237 HydrophobicContact CE2-CB 4.03Å; F204-A237 HydrophobicContact CZ-CB 3.89Å; A233-A237 VanDerWaalsContact O-CB 3.26Å; A233-A237 WeakPolarHBondContact O-CB 3.49Å; A233-A237 PolarHBondContact O-N 2.99Å; A237-I239 VanDerWaalsContact C-N 3.33Å; A237-L240 PolarHBondContact O-N 3.24Å; A237-F241 PolarHBondContact O-N 3.27Å
238L92.8Very high91Very high65 Ų6546.5 Ų46.534%0.3423%0.227SC..Hα-helixtrans-62.4-41171.5176.363.3000111.3K234 S235 L236 L240 F241 L242 V287K234-L238 WeakPolarHBondContact O-CB 3.41Å; K234-L238 PolarHBondContact O-N 3.4Å; S235-L238 WeakPolarHBondContact O-CB 3.3Å; S235-L238 PolarHBondContact O-N 3.3Å; L236-L238 VanDerWaalsContact C-N 3.32Å; L238-L240 VanDerWaalsContact C-N 3.35Å; L238-F241 HydrophobicContact CD1-CD1 4.41Å; L238-F241 PolarHBondContact O-N 3.12Å; L238-L242 HydrophobicContact CD1-CD1 4.32Å; L238-L242 HydrophobicContact CD1-CG 4.23Å; L238-L242 HydrophobicContact CG-CD1 4.11Å; L238-L242 HydrophobicContact CG-CG 4.45Å; L238-L242 VanDerWaalsContact O-CG 3.31Å; L238-L242 WeakPolarHBondContact O-CG 3.23Å; L238-L242 PolarHBondContact O-N 2.96Å; L238-V287 HydrophobicContact CD2-CG1 4.29Å
239I91.5Very high91.7Very high2 Ų242.7 Ų42.71%0.0121%0.214CC..Hα-helixtrans-62-43.8176.1-68.4165.6000110.8L98 S235 L236 A237 F241 L242 F243 N284 V287 Y288L98-I239 HydrophobicContact CD2-CG2 3.75Å; S235-I239 WeakPolarHBondContact O-CG1 3.44Å; S235-I239 PolarHBondContact O-N 3.41Å; L236-I239 HydrophobicContact CD2-CD1 4.23Å; L236-I239 WeakPolarHBondContact O-CB 3.41Å; L236-I239 PolarHBondContact O-N 3.38Å; A237-I239 VanDerWaalsContact C-N 3.33Å; I239-F241 VanDerWaalsContact C-N 3.33Å; I239-F241 PolarHBondContact O-N 2.88Å; I239-L242 PolarHBondContact O-N 3.21Å; I239-F243 WeakPolarHBondContact O-CB 3.23Å; I239-F243 PolarHBondContact O-N 2.81Å; I239-N284 WeakPolarHBondContact CG2-OD1 3.4Å; I239-V287 HydrophobicContact CD1-CG1 4.02Å; I239-V287 HydrophobicContact CG1-CB 4.21Å; I239-V287 HydrophobicContact CG1-CG1 3.71Å; I239-Y288 HydrophobicContact CD1-CD1 3.92Å; I239-Y288 HydrophobicContact CD1-CE1 3.23Å
240L92.1Very high92.3Very high13 Ų1343.4 Ų43.47%0.06822%0.219CC..Hα-helixtrans-59.5-44174174.463.4000112.1L193 M196 V197 Y200 L236 A237 L238 F243 A244L193-L240 HydrophobicContact CD2-CD1 3.91Å; M196-L240 HydrophobicContact CB-CD1 4.05Å; M196-L240 HydrophobicContact CB-CD2 3.71Å; M196-L240 HydrophobicContact CE-CD1 3.61Å; M196-L240 HydrophobicContact SD-CD1 3.79Å; V197-L240 HydrophobicContact CG2-CD2 4.17Å; Y200-L240 HydrophobicContact CD2-CD2 3.6Å; Y200-L240 HydrophobicContact CE2-CB 4.37Å; Y200-L240 HydrophobicContact CE2-CD2 3.85Å; L236-L240 PolarHBondContact O-N 3.2Å; A237-L240 PolarHBondContact O-N 3.24Å; L238-L240 VanDerWaalsContact C-N 3.35Å; L240-F243 PolarHBondContact O-N 2.96Å; L240-A244 PolarHBondContact O-N 2.91Å
241F94.5Very high92.8Very high121 Ų12142 Ų4253%0.53121%0.211SC..Hα-helixtrans-61.8-46178172.3-99.2000111.7A237 L238 I239 F243 A244 L245A237-F241 PolarHBondContact O-N 3.27Å; L238-F241 HydrophobicContact CD1-CD1 4.41Å; L238-F241 PolarHBondContact O-N 3.12Å; I239-F241 VanDerWaalsContact C-N 3.33Å; I239-F241 PolarHBondContact O-N 2.88Å; F241-F243 VanDerWaalsContact C-N 3.32Å; F241-F243 PolarHBondContact O-N 2.93Å; F241-A244 PolarHBondContact O-N 3.38Å; F241-L245 HydrophobicContact CE1-CD2 4.02Å; F241-L245 HydrophobicContact CZ-CD2 4.22Å; F241-L245 VanDerWaalsContact O-CB 3.31Å; F241-L245 WeakPolarHBondContact O-CB 3.28Å; F241-L245 PolarHBondContact O-N 3.25Å
242L94.9Very high93.3Very high35 Ų3539 Ų3918%0.18320%0.201CC..Hα-helixtrans-62.4-40.5177-69.5172.2000111.6L238 I239 L245 S246 M283 V287L238-L242 HydrophobicContact CD1-CD1 4.32Å; L238-L242 HydrophobicContact CD1-CG 4.23Å; L238-L242 HydrophobicContact CG-CD1 4.11Å; L238-L242 HydrophobicContact CG-CG 4.45Å; L238-L242 VanDerWaalsContact O-CG 3.31Å; L238-L242 WeakPolarHBondContact O-CG 3.23Å; L238-L242 PolarHBondContact O-N 2.96Å; I239-L242 PolarHBondContact O-N 3.21Å; L242-L245 PolarHBondContact O-N 2.91Å; L242-S246 WeakPolarHBondContact O-CB 3.48Å; L242-S246 PolarHBondContact O-N 2.99Å; L242-S246 PolarHBondContact O-OG 3.03Å; L242-M283 HydrophobicContact CB-CE 3.95Å; L242-M283 HydrophobicContact CB-SD 4.16Å; L242-M283 HydrophobicContact CD1-SD 4.22Å; L242-M283 HydrophobicContact CD2-SD 4.02Å; L242-M283 HydrophobicContact CG-SD 4.36Å; L242-V287 HydrophobicContact CD1-CG2 3.67Å
243F93.3Very high93.9Very high4 Ų437 Ų372%0.01819%0.191CC..Hα-helixtrans-59.1-52.1173.7-175.9-84.5000111.4I95 L98 L193 I239 L240 F241 L245 S246 W247 N280I95-F243 HydrophobicContact CD1-CE1 4.4Å; I95-F243 HydrophobicContact CD1-CZ 4.12Å; I95-F243 HydrophobicContact CG1-CE1 3.72Å; I95-F243 HydrophobicContact CG1-CE2 4.37Å; I95-F243 HydrophobicContact CG1-CZ 3.37Å; L98-F243 HydrophobicContact CD1-CB 3.95Å; L98-F243 HydrophobicContact CD1-CD1 4.19Å; L98-F243 HydrophobicContact CD1-CD2 3.53Å; L98-F243 HydrophobicContact CD1-CE2 4.1Å; L98-F243 HydrophobicContact CD1-CG 3.6Å; L193-F243 HydrophobicContact CD2-CD1 3.95Å; L193-F243 HydrophobicContact CD2-CE1 4.2Å; I239-F243 WeakPolarHBondContact O-CB 3.23Å; I239-F243 PolarHBondContact O-N 2.81Å; L240-F243 PolarHBondContact O-N 2.96Å; F241-F243 VanDerWaalsContact C-N 3.32Å; F241-F243 PolarHBondContact O-N 2.93Å; F243-L245 VanDerWaalsContact C-N 3.32Å; F243-L245 PolarHBondContact O-N 3.48Å; F243-S246 PolarHBondContact O-N 2.95Å; F243-W247 AromaticContact CD1-CD1 3.92Å; F243-W247 AromaticContact CD2-CD1 3.61Å; F243-W247 AromaticContact CD2-NE1 3.72Å; F243-W247 HydrophobicContact CE1-CB 4.35Å; F243-W247 AromaticContact CE1-CD1 3.7Å; F243-W247 HydrophobicContact CE1-CG 4.05Å; F243-W247 AromaticContact CE2-CD1 3.39Å; F243-W247 HydrophobicContact CE2-CG 4.29Å; F243-W247 AromaticContact CE2-NE1 3.26Å; F243-W247 VanDerWaalsContact CE2-NE1 3.26Å; F243-W247 AromaticContact CG-CD1 3.86Å; F243-W247 AromaticContact CZ-CD1 3.41Å; F243-W247 VanDerWaalsContact CZ-CD1 3.41Å; F243-W247 HydrophobicContact CZ-CD2 4.35Å; F243-W247 AromaticContact CZ-CG 3.9Å; F243-W247 HydrophobicContact CZ-CG 3.9Å; F243-W247 AromaticContact CZ-NE1 3.6Å; F243-W247 WeakPolarHBondContact O-CB 3.3Å; F243-W247 VanDerWaalsContact O-CD1 3.22Å; F243-W247 PolarHBondContact O-N 3.4Å; F243-N280 WeakPolarHBondContact CA-OD1 3.42Å
244A94.9Very high94.3Very high21 Ų2137.3 Ų37.317%0.17419%0.193CC..Hα-helixtrans-60.6-42.7178.900000111.9L193 L240 F241 S246 W247 L248L193-A244 HydrophobicContact CD2-CB 4.5Å; L240-A244 PolarHBondContact O-N 2.91Å; F241-A244 PolarHBondContact O-N 3.38Å; A244-S246 VanDerWaalsContact C-N 3.3Å; A244-S246 PolarHBondContact O-N 3.33Å; A244-W247 PolarHBondContact O-N 3.3Å; A244-L248 HydrophobicContact CB-CD1 4.18Å; A244-L248 VanDerWaalsContact O-CB 3.22Å; A244-L248 WeakPolarHBondContact O-CB 3.34Å; A244-L248 WeakPolarHBondContact O-CG 3.27Å; A244-L248 PolarHBondContact O-N 2.79Å
245L96.6Very high94.7Very high96 Ų9633 Ų3350%0.50318%0.176SC..Hα-helixtrans-63.5-36.2178.9-173.664.4000112.4F241 L242 F243 P249F241-L245 HydrophobicContact CE1-CD2 4.02Å; F241-L245 HydrophobicContact CZ-CD2 4.22Å; F241-L245 VanDerWaalsContact O-CB 3.31Å; F241-L245 WeakPolarHBondContact O-CB 3.28Å; F241-L245 PolarHBondContact O-N 3.25Å; L242-L245 PolarHBondContact O-N 2.91Å; F243-L245 VanDerWaalsContact C-N 3.32Å; F243-L245 PolarHBondContact O-N 3.48Å; L245-P249 WeakPolarHBondContact O-CD 3.43Å; L245-P249 WeakPolarHBondContact O-CG 3.28Å
246S97Very high95Very high3 Ų336 Ų362%0.02119%0.191CC..Hα-helixtrans-74.8-36.9177.6-86.30000113.9L242 F243 A244 L276 T277 M283L242-S246 WeakPolarHBondContact O-CB 3.48Å; L242-S246 PolarHBondContact O-N 2.99Å; L242-S246 PolarHBondContact O-OG 3.03Å; F243-S246 PolarHBondContact O-N 2.95Å; A244-S246 VanDerWaalsContact C-N 3.3Å; A244-S246 PolarHBondContact O-N 3.33Å; S246-L276 VanDerWaalsContact CB-O 3.25Å; S246-L276 WeakPolarHBondContact CB-O 3.24Å; S246-L276 PolarHBondContact OG-O 2.87Å; S246-T277 WeakPolarHBondContact O-CG2 3.31Å; S246-M283 WeakPolarHBondContact OG-CE 3.41Å
247W96.8Very high95.4Very high23 Ų2337 Ų379%0.08720%0.198CC..Hα-helixtrans-95.3-34.4-170.7-7795.3000114.4T91 F243 A244 P249 L250 H251 T277T91-W247 HydrophobicContact CG2-CD2 4.03Å; T91-W247 HydrophobicContact CG2-CE3 3.77Å; T91-W247 HydrophobicContact CG2-CH2 3.44Å; T91-W247 VanDerWaalsContact CG2-CH2 3.44Å; T91-W247 HydrophobicContact CG2-CZ2 3.66Å; T91-W247 HydrophobicContact CG2-CZ3 3.48Å; T91-W247 VanDerWaalsContact CG2-CZ3 3.48Å; T91-W247 WeakPolarHBondContact OG1-CH2 3.45Å; T91-W247 WeakPolarHBondContact OG1-CZ2 3.44Å; F243-W247 AromaticContact CD1-CD1 3.92Å; F243-W247 AromaticContact CD2-CD1 3.61Å; F243-W247 AromaticContact CD2-NE1 3.72Å; F243-W247 HydrophobicContact CE1-CB 4.35Å; F243-W247 AromaticContact CE1-CD1 3.7Å; F243-W247 HydrophobicContact CE1-CG 4.05Å; F243-W247 AromaticContact CE2-CD1 3.39Å; F243-W247 HydrophobicContact CE2-CG 4.29Å; F243-W247 AromaticContact CE2-NE1 3.26Å; F243-W247 VanDerWaalsContact CE2-NE1 3.26Å; F243-W247 AromaticContact CG-CD1 3.86Å; F243-W247 AromaticContact CZ-CD1 3.41Å; F243-W247 VanDerWaalsContact CZ-CD1 3.41Å; F243-W247 HydrophobicContact CZ-CD2 4.35Å; F243-W247 AromaticContact CZ-CG 3.9Å; F243-W247 HydrophobicContact CZ-CG 3.9Å; F243-W247 AromaticContact CZ-NE1 3.6Å; F243-W247 WeakPolarHBondContact O-CB 3.3Å; F243-W247 VanDerWaalsContact O-CD1 3.22Å; F243-W247 PolarHBondContact O-N 3.4Å; A244-W247 PolarHBondContact O-N 3.3Å; W247-P249 VanDerWaalsContact C-CD 3.44Å; W247-L250 PolarHBondContact O-N 3.28Å; W247-H251 PolarHBondContact O-CD2 3.29Å; W247-H251 VanDerWaalsContact O-CD2 3.25Å; W247-H251 PolarHBondContact O-N 3.27Å; W247-T277 HydrophobicContact CD2-CG2 3.78Å; W247-T277 HydrophobicContact CE3-CG2 3.54Å; W247-T277 HydrophobicContact CG-CG2 4.37Å; W247-T277 HydrophobicContact CH2-CG2 4.12Å; W247-T277 HydrophobicContact CZ2-CG2 4.38Å; W247-T277 HydrophobicContact CZ3-CG2 3.72Å
248L96.9Very high95.7Very high57 Ų5737.9 Ų37.930%0.29820%0.199SC..Hα-helixtrans-58.6-38.8-178.3-73174.4000114F185 A244 L250 H251 I252F185-L248 HydrophobicContact CE2-CD2 3.95Å; F185-L248 HydrophobicContact CZ-CD2 4.06Å; A244-L248 HydrophobicContact CB-CD1 4.18Å; A244-L248 VanDerWaalsContact O-CB 3.22Å; A244-L248 WeakPolarHBondContact O-CB 3.34Å; A244-L248 WeakPolarHBondContact O-CG 3.27Å; A244-L248 PolarHBondContact O-N 2.79Å; L248-L250 VanDerWaalsContact C-N 3.32Å; L248-L250 PolarHBondContact O-N 2.79Å; L248-H251 PolarHBondContact O-N 2.87Å; L248-I252 HydrophobicContact CB-CD1 4.46Å; L248-I252 WeakPolarHBondContact O-CB 3.23Å; L248-I252 WeakPolarHBondContact O-CD1 3.45Å; L248-I252 VanDerWaalsContact O-CG1 3.22Å; L248-I252 WeakPolarHBondContact O-CG1 3.32Å; L248-I252 PolarHBondContact O-N 3.38Å
249P97.9Very high96Very high43 Ų4340.3 Ų40.328%0.27921%0.207SC..Hα-helixtrans-55.8-44.4177.6-27.636.4000113L245 W247 I252 L253 A273 L276L245-P249 WeakPolarHBondContact O-CD 3.43Å; L245-P249 WeakPolarHBondContact O-CG 3.28Å; W247-P249 VanDerWaalsContact C-CD 3.44Å; P249-I252 PolarHBondContact O-N 3.43Å; P249-L253 WeakPolarHBondContact O-CG 3.26Å; P249-L253 PolarHBondContact O-N 2.93Å; P249-A273 HydrophobicContact CB-CB 4.09Å; P249-L276 HydrophobicContact CG-CD1 4.23Å
250L96.8Very high96.2Very high35 Ų3542.3 Ų42.318%0.18322%0.221CC..Hα-helixtrans-68.5-40.6179.9-171.264.2000111.8W247 L248 I252 L253 N254 A273 I274 T277W247-L250 PolarHBondContact O-N 3.28Å; L248-L250 VanDerWaalsContact C-N 3.32Å; L248-L250 PolarHBondContact O-N 2.79Å; L250-I252 PolarHBondContact O-N 3.26Å; L250-L253 PolarHBondContact O-N 2.83Å; L250-N254 PolarHBondContact O-N 3.01Å; L250-N254 PolarHBondContact O-ND2 3.13Å; L250-A273 HydrophobicContact CB-CB 4.16Å; L250-A273 HydrophobicContact CD1-CB 4.19Å; L250-I274 HydrophobicContact CD1-CG1 4.34Å; L250-T277 HydrophobicContact CB-CG2 4.07Å; L250-T277 HydrophobicContact CD2-CG2 3.84Å
251H97.8Very high96.2Very high6 Ų646.9 Ų46.93%0.02825%0.251CS..Hα-helixtrans-64.6-38.7175-72.5-63.9000112.6N184 F185 W247 L248 L253 N254 C255N184-H251 PolarHBondContact OD1-CE1 3.05Å; F185-H251 HydrophobicContact CD1-CB 4.03Å; F185-H251 HydrophobicContact CD2-CB 3.63Å; F185-H251 AromaticContact CD2-CD2 3.86Å; F185-H251 AromaticContact CD2-CG 3.43Å; F185-H251 VanDerWaalsContact CD2-CG 3.43Å; F185-H251 AromaticContact CD2-ND1 3.64Å; F185-H251 HydrophobicContact CE1-CB 4.06Å; F185-H251 HydrophobicContact CE2-CB 3.69Å; F185-H251 AromaticContact CE2-CG 3.86Å; F185-H251 HydrophobicContact CG-CB 3.84Å; F185-H251 AromaticContact CG-CG 3.84Å; F185-H251 AromaticContact CG-ND1 3.75Å; F185-H251 HydrophobicContact CZ-CB 3.91Å; W247-H251 PolarHBondContact O-CD2 3.29Å; W247-H251 VanDerWaalsContact O-CD2 3.25Å; W247-H251 PolarHBondContact O-N 3.27Å; L248-H251 PolarHBondContact O-N 2.87Å; H251-L253 VanDerWaalsContact C-N 3.34Å; H251-N254 PolarHBondContact O-N 3.01Å; H251-C255 PolarHBondContact O-N 3.31Å; H251-C255 PolarHBondContact O-SG 3.25Å; H251-C255 VanDerWaalsContact O-SG 3.32Å
252I97.3Very high96.2Very high91 Ų9146.9 Ų46.947%0.46727%0.266SS..Hα-helixtrans-62.3-43.5174.4-69.5164000110.2L248 P249 L250 N254 C255 I256L248-I252 HydrophobicContact CB-CD1 4.46Å; L248-I252 WeakPolarHBondContact O-CB 3.23Å; L248-I252 WeakPolarHBondContact O-CD1 3.45Å; L248-I252 VanDerWaalsContact O-CG1 3.22Å; L248-I252 WeakPolarHBondContact O-CG1 3.32Å; L248-I252 PolarHBondContact O-N 3.38Å; P249-I252 PolarHBondContact O-N 3.43Å; L250-I252 PolarHBondContact O-N 3.26Å; I252-N254 VanDerWaalsContact C-N 3.31Å; I252-N254 PolarHBondContact O-N 3.42Å; I252-C255 WeakPolarHBondContact O-CB 3.15Å; I252-C255 PolarHBondContact O-N 3.49Å; I252-I256 HydrophobicContact CG2-CD1 3.87Å; I252-I256 HydrophobicContact CG2-CG1 4.44Å; I252-I256 WeakPolarHBondContact O-CG1 3.16Å; I252-I256 PolarHBondContact O-N 2.93Å
253L96.7Very high96.2Very high20 Ų2048.2 Ų48.211%0.10528%0.278CS..Hα-helixtrans-60.8-39.8175.2-71.2173.1000112.1P249 L250 H251 I256 T257 A273P249-L253 WeakPolarHBondContact O-CG 3.26Å; P249-L253 PolarHBondContact O-N 2.93Å; L250-L253 PolarHBondContact O-N 2.83Å; H251-L253 VanDerWaalsContact C-N 3.34Å; L253-I256 PolarHBondContact O-N 3.19Å; L253-T257 WeakPolarHBondContact O-CB 3.41Å; L253-T257 PolarHBondContact O-N 2.9Å; L253-T257 PolarHBondContact O-OG1 2.99Å; L253-A273 HydrophobicContact CD1-CB 3.72Å
254N96.8Very high96Very high9 Ų956 Ų565%0.04831%0.314CS..Hα-helixtrans-64.1-42174.8-67-20.9000111.7M177 V181 L250 H251 I252 T257 L258M177-N254 HydrophobicContact SD-CB 4.36Å; V181-N254 HydrophobicContact CG2-CB 4.2Å; L250-N254 PolarHBondContact O-N 3.01Å; L250-N254 PolarHBondContact O-ND2 3.13Å; H251-N254 PolarHBondContact O-N 3.01Å; I252-N254 VanDerWaalsContact C-N 3.31Å; I252-N254 PolarHBondContact O-N 3.42Å; N254-T257 PolarHBondContact O-N 3.36Å; N254-L258 PolarHBondContact O-N 2.87Å
255C97.8Very high95.8Very high18 Ų1857.4 Ų57.412%0.12232%0.316CS..Hα-helixtrans-60.5-46.3174-69.20000111.9H251 I252 T257 L258 F259H251-C255 PolarHBondContact O-N 3.31Å; H251-C255 PolarHBondContact O-SG 3.25Å; H251-C255 VanDerWaalsContact O-SG 3.32Å; I252-C255 WeakPolarHBondContact O-CB 3.15Å; I252-C255 PolarHBondContact O-N 3.49Å; C255-T257 VanDerWaalsContact C-N 3.28Å; C255-T257 PolarHBondContact O-N 2.94Å; C255-L258 PolarHBondContact O-N 3.35Å; C255-F259 HydrophobicContact CB-CD2 4.03Å; C255-F259 HydrophobicContact CB-CE2 4.1Å; C255-F259 WeakPolarHBondContact O-CB 3.38Å; C255-F259 WeakPolarHBondContact O-CD2 3.31Å; C255-F259 PolarHBondContact O-N 3.08Å
256I96.6Very high95.5Very high67 Ų6755.6 Ų55.634%0.34431%0.31SS..Hα-helixtrans-61.1-42.5177.3-66.2165.1000110I252 L253 L258 C260 C263I252-I256 HydrophobicContact CG2-CD1 3.87Å; I252-I256 HydrophobicContact CG2-CG1 4.44Å; I252-I256 WeakPolarHBondContact O-CG1 3.16Å; I252-I256 PolarHBondContact O-N 2.93Å; L253-I256 PolarHBondContact O-N 3.19Å; I256-L258 VanDerWaalsContact C-N 3.32Å; I256-L258 PolarHBondContact O-N 2.94Å; I256-C260 CarbonylContact O-C 3.44Å; I256-C260 VanDerWaalsContact O-C 3.23Å; I256-C260 VanDerWaalsContact O-CA 3.29Å; I256-C260 WeakPolarHBondContact O-CA 3.24Å; I256-C260 WeakPolarHBondContact O-CB 3.47Å; I256-C260 PolarHBondContact O-N 3.21Å; I256-C260 VanDerWaalsContact O-O 3.1Å; I256-C263 HydrophobicContact CG2-CB 3.96Å
257T94.6Very high95.1Very high27 Ų2759.3 Ų59.317%0.16634%0.336CS..Hα-helixtrans-62.2-39.2178.9-53.90000111.8E172 M177 L253 N254 C255 K265E172-T257 WeakPolarHBondContact OE2-CG2 3.22Å; M177-T257 HydrophobicContact CG-CG2 4.14Å; M177-T257 HydrophobicContact SD-CG2 4.27Å; L253-T257 WeakPolarHBondContact O-CB 3.41Å; L253-T257 PolarHBondContact O-N 2.9Å; L253-T257 PolarHBondContact O-OG1 2.99Å; N254-T257 PolarHBondContact O-N 3.36Å; C255-T257 VanDerWaalsContact C-N 3.28Å; C255-T257 PolarHBondContact O-N 2.94Å; T257-K265 PolarHBondContact OG1-NZ 2.92Å
258L96.5Very high94.8Very high40 Ų4062.9 Ų62.921%0.20936%0.356CS..Hα-helixtrans-75.3-50.4178.5-177.661.8000112.8M177 E178 V181 Y182 N254 C255 I256M177-L258 HydrophobicContact CB-CB 4.15Å; M177-L258 HydrophobicContact CB-CD1 3.98Å; E178-L258 HydrophobicContact CG-CD1 3.89Å; V181-L258 HydrophobicContact CB-CD2 3.58Å; V181-L258 HydrophobicContact CG1-CD2 3.9Å; V181-L258 HydrophobicContact CG2-CB 4.05Å; V181-L258 HydrophobicContact CG2-CD2 3.71Å; Y182-L258 HydrophobicContact CD2-CD2 4.5Å; Y182-L258 HydrophobicContact CE1-CD2 4.39Å; Y182-L258 HydrophobicContact CE2-CD2 3.88Å; N254-L258 PolarHBondContact O-N 2.87Å; C255-L258 PolarHBondContact O-N 3.35Å; I256-L258 VanDerWaalsContact C-N 3.32Å; I256-L258 PolarHBondContact O-N 2.94Å
259F97.8Very high94.6Very high115 Ų11564.3 Ų64.350%0.50436%0.363SS..Hα-helixtrans-86.9-20.2-170.9-60.7-57.2000113.5V181 Y182 F186 C255V181-F259 HydrophobicContact CG1-CE2 3.76Å; V181-F259 HydrophobicContact CG1-CZ 3.77Å; Y182-F259 AromaticContact CE1-CE1 3.98Å; Y182-F259 HydrophobicContact CE1-CE1 3.98Å; Y182-F259 AromaticContact CE1-CZ 3.81Å; Y182-F259 HydrophobicContact CE1-CZ 3.81Å; Y182-F259 WeakPolarHBondContact OH-CE1 3.37Å; F186-F259 HydrophobicContact CE2-CZ 4.23Å; F186-F259 HydrophobicContact CZ-CE2 4.25Å; F186-F259 HydrophobicContact CZ-CZ 4.37Å; C255-F259 HydrophobicContact CB-CD2 4.03Å; C255-F259 HydrophobicContact CB-CE2 4.1Å; C255-F259 WeakPolarHBondContact O-CB 3.38Å; C255-F259 WeakPolarHBondContact O-CD2 3.31Å; C255-F259 PolarHBondContact O-N 3.08Å
260C96.2Very high94.3Very high44 Ų4463.7 Ų63.730%0.29736%0.359SS..  trans-135.773.6176.4-170.80000110.7I256 S262 C263I256-C260 CarbonylContact O-C 3.44Å; I256-C260 VanDerWaalsContact O-C 3.23Å; I256-C260 VanDerWaalsContact O-CA 3.29Å; I256-C260 WeakPolarHBondContact O-CA 3.24Å; I256-C260 WeakPolarHBondContact O-CB 3.47Å; I256-C260 PolarHBondContact O-N 3.21Å; I256-C260 VanDerWaalsContact O-O 3.1Å; C260-S262 PolarHBondContact O-N 2.99Å; C260-S262 VanDerWaalsContact O-N 3.14Å; C260-C263 HydrophobicContact CB-CB 3.75Å; C260-C263 WeakPolarHBondContact CB-SG 3.36Å; C260-C263 VanDerWaalsContact O-CB 3.31Å; C260-C263 WeakPolarHBondContact O-CB 3.33Å; C260-C263 PolarHBondContact O-N 3.49Å; C260-C263 WeakPolarHBondContact SG-CB 3.37Å; C260-C263 PolarHBondContact SG-N 2.89Å; C260-C263 VanDerWaalsContact SG-N 3.39Å; C260-C263 CovalentContact SG-SG 2.03Å; C260-C263 PolarHBondContact SG-SG 3.32Å
261P92.3Very high94.2Very high110 Ų11064.8 Ų64.871%0.71436%0.361SS*.THydrogen-bonded Turntrans-62.8-22.4179.426-35000112.9C263P261-C263 VanDerWaalsContact C-N 3.35Å
262S94.4Very high94Very high120 Ų12068.3 Ų68.384%0.83938%0.379SS*.THydrogen-bonded Turntrans-80.9-11.2175-51.10000113.8C260 H264C260-S262 PolarHBondContact O-N 2.99Å; C260-S262 VanDerWaalsContact O-N 3.14Å; S262-H264 PolarHBondContact O-N 2.84Å
263C94.4Very high94Very high63 Ų6364 Ų6443%0.42636%0.358SS..SBendtrans-74.2124.6-179.6-75.90000110.7I256 C260 P261 K265I256-C263 HydrophobicContact CG2-CB 3.96Å; C260-C263 HydrophobicContact CB-CB 3.75Å; C260-C263 WeakPolarHBondContact CB-SG 3.36Å; C260-C263 VanDerWaalsContact O-CB 3.31Å; C260-C263 WeakPolarHBondContact O-CB 3.33Å; C260-C263 PolarHBondContact O-N 3.49Å; C260-C263 WeakPolarHBondContact SG-CB 3.37Å; C260-C263 PolarHBondContact SG-N 2.89Å; C260-C263 VanDerWaalsContact SG-N 3.39Å; C260-C263 CovalentContact SG-SG 2.03Å; C260-C263 PolarHBondContact SG-SG 3.32Å; P261-C263 VanDerWaalsContact C-N 3.35Å; C263-K265 PolarHBondContact O-N 3.21Å
264H90.6Very high93.9Very high167 Ų16765.1 Ų65.177%0.77336%0.363SS*.PPolyproline II helixtrans-75121172.9-174.275.5000110.6S262S262-H264 PolarHBondContact O-N 2.84Å
265K89.8Confident93.9Very high52 Ų5266.5 Ų66.523%0.22637%0.369CS..PPolyproline II helixtrans-103.6119.8171.762.9-171.9173.4-173.30109.7E172 T257 C263 S267E172-K265 IonicContact OE1-NZ 2.94Å; E172-K265 PolarHBondContact OE1-NZ 3.26Å; E172-K265 IonicContact OE2-NZ 3.67Å; E172-K265 PolarHBondContact OE2-NZ 3.4Å; T257-K265 PolarHBondContact OG1-NZ 2.92Å; C263-K265 PolarHBondContact O-N 3.21Å; K265-S267 PolarHBondContact O-N 3.27Å
266P90.8Very high93.9Very high57 Ų5768.9 Ų68.937%0.3738%0.38SS..PPolyproline II helixtrans-59.4129.2174.2-24.432.4000111.3I268 L269P266-I268 HydrophobicContact CB-CG2 3.94Å; P266-I268 PolarHBondContact O-N 3.28Å; P266-I268 VanDerWaalsContact O-N 3.08Å; P266-L269 HydrophobicContact CB-CG 4.32Å; P266-L269 HydrophobicContact CG-CD1 4.21Å; P266-L269 WeakPolarHBondContact O-CB 3.42Å; P266-L269 PolarHBondContact O-N 3.45Å
267S88.1Confident94Very high82 Ų8265.8 Ų65.857%0.57336%0.364SS*.Hα-helixtrans-55.5-32.2-178.5-51.30000113K265 L269 T270 Y271K265-S267 PolarHBondContact O-N 3.27Å; S267-L269 VanDerWaalsContact C-N 3.25Å; S267-L269 PolarHBondContact O-N 3.16Å; S267-T270 WeakPolarHBondContact O-CB 3.01Å; S267-T270 PolarHBondContact O-N 3.38Å; S267-T270 VanDerWaalsContact O-N 3.13Å; S267-Y271 WeakPolarHBondContact O-CD2 3.3Å; S267-Y271 PolarHBondContact O-N 3.11Å
268I91Very high94.1Very high97 Ų9765.1 Ų65.150%0.49736%0.359SS..Hα-helixtrans-58.2-36.8176.8-170.260.7000112.4P266 Y271 I272P266-I268 HydrophobicContact CB-CG2 3.94Å; P266-I268 PolarHBondContact O-N 3.28Å; P266-I268 VanDerWaalsContact O-N 3.08Å; I268-Y271 PolarHBondContact O-N 3.26Å; I268-I272 HydrophobicContact CD1-CD1 4.37Å; I268-I272 HydrophobicContact CD1-CG1 4.49Å; I268-I272 HydrophobicContact CG1-CD1 3.93Å; I268-I272 HydrophobicContact CG1-CG1 4.47Å; I268-I272 WeakPolarHBondContact O-CB 3.32Å; I268-I272 VanDerWaalsContact O-CG1 3.24Å; I268-I272 WeakPolarHBondContact O-CG1 3.29Å; I268-I272 PolarHBondContact O-N 2.02Å
269L93.4Very high94.1Very high88 Ų8864 Ų6446%0.46136%0.357SS..Hα-helixtrans-68.5-38.6177.7-64.4-177.6000111.3P266 S267 I272 A273P266-L269 HydrophobicContact CB-CG 4.32Å; P266-L269 HydrophobicContact CG-CD1 4.21Å; P266-L269 WeakPolarHBondContact O-CB 3.42Å; P266-L269 PolarHBondContact O-N 3.45Å; S267-L269 VanDerWaalsContact C-N 3.25Å; S267-L269 PolarHBondContact O-N 3.16Å; L269-I272 PolarHBondContact O-N 3.3Å; L269-A273 WeakPolarHBondContact O-CB 3.31Å; L269-A273 PolarHBondContact O-N 3.5Å
270T91.6Very high94Very high30 Ų3058.7 Ų58.718%0.18433%0.334CS..Hα-helixtrans-62.1-47.2174.4-54.10000111.1S267 A273 I274S267-T270 WeakPolarHBondContact O-CB 3.01Å; S267-T270 PolarHBondContact O-N 3.38Å; S267-T270 VanDerWaalsContact O-N 3.13Å; T270-A273 PolarHBondContact O-N 3.29Å; T270-I274 HydrophobicContact CG2-CD1 3.91Å; T270-I274 VanDerWaalsContact O-CG1 3.28Å; T270-I274 WeakPolarHBondContact O-CG1 3.19Å; T270-I274 PolarHBondContact O-N 3.09Å
271Y92.9Very high94Very high58 Ų5856.7 Ų56.723%0.22732%0.321CS..Hα-helixtrans-64.4-43.4178.2-77-71.3000112.5F8 Y12 S267 I268 A273 I274 F275F8-Y271 AromaticContact CE1-CD2 3.95Å; F8-Y271 HydrophobicContact CE1-CD2 3.95Å; F8-Y271 HydrophobicContact CE1-CE1 4.27Å; F8-Y271 AromaticContact CE1-CE2 3.48Å; F8-Y271 HydrophobicContact CE1-CE2 3.48Å; F8-Y271 VanDerWaalsContact CE1-CE2 3.48Å; F8-Y271 AromaticContact CE1-CZ 3.66Å; F8-Y271 AromaticContact CZ-CD2 3.52Å; F8-Y271 HydrophobicContact CZ-CD2 3.52Å; F8-Y271 AromaticContact CZ-CE2 3.55Å; F8-Y271 HydrophobicContact CZ-CE2 3.55Å; F8-Y271 HydrophobicContact CZ-CG 4.07Å; Y12-Y271 AromaticContact CD2-CD1 3.74Å; Y12-Y271 HydrophobicContact CD2-CD1 3.74Å; Y12-Y271 AromaticContact CD2-CE1 3.77Å; Y12-Y271 HydrophobicContact CD2-CE1 3.77Å; Y12-Y271 HydrophobicContact CE2-CD1 4.12Å; Y12-Y271 HydrophobicContact CE2-CE1 4.12Å; Y12-Y271 HydrophobicContact CG-CE1 4.37Å; S267-Y271 WeakPolarHBondContact O-CD2 3.3Å; S267-Y271 PolarHBondContact O-N 3.11Å; I268-Y271 PolarHBondContact O-N 3.26Å; Y271-A273 VanDerWaalsContact C-N 3.32Å; Y271-A273 PolarHBondContact O-N 3.15Å; Y271-I274 PolarHBondContact O-N 2.93Å; Y271-F275 WeakPolarHBondContact O-CD2 3.02Å; Y271-F275 VanDerWaalsContact O-CG 3.22Å; Y271-F275 WeakPolarHBondContact O-CG 3.47Å; Y271-F275 PolarHBondContact O-N 3.17Å
272I95.5Very high94.1Very high79 Ų7952 Ų5241%0.40529%0.291SS..Hα-helixtrans-60.1-44.4175.5-69.8167.5000110.6I268 L269 I274 F275 L276I268-I272 HydrophobicContact CD1-CD1 4.37Å; I268-I272 HydrophobicContact CD1-CG1 4.49Å; I268-I272 HydrophobicContact CG1-CD1 3.93Å; I268-I272 HydrophobicContact CG1-CG1 4.47Å; I268-I272 WeakPolarHBondContact O-CB 3.32Å; I268-I272 VanDerWaalsContact O-CG1 3.24Å; I268-I272 WeakPolarHBondContact O-CG1 3.29Å; I268-I272 PolarHBondContact O-N 2.02Å; L269-I272 PolarHBondContact O-N 3.3Å; I272-I274 PolarHBondContact O-N 3.34Å; I272-F275 PolarHBondContact O-N 3.03Å; I272-L276 HydrophobicContact CG2-CD1 4.09Å; I272-L276 HydrophobicContact CG2-CG 4.43Å; I272-L276 WeakPolarHBondContact O-CB 3.44Å; I272-L276 WeakPolarHBondContact O-CG 3.1Å; I272-L276 PolarHBondContact O-N 3.35Å
273A96.8Very high94.2Very high2 Ų248.5 Ų48.52%0.01726%0.262CS..Hα-helixtrans-62.1-42.8177.300000111.9P249 L250 L253 L269 T270 Y271 L276 T277P249-A273 HydrophobicContact CB-CB 4.09Å; L250-A273 HydrophobicContact CB-CB 4.16Å; L250-A273 HydrophobicContact CD1-CB 4.19Å; L253-A273 HydrophobicContact CD1-CB 3.72Å; L269-A273 WeakPolarHBondContact O-CB 3.31Å; L269-A273 PolarHBondContact O-N 3.5Å; T270-A273 PolarHBondContact O-N 3.29Å; Y271-A273 VanDerWaalsContact C-N 3.32Å; Y271-A273 PolarHBondContact O-N 3.15Å; A273-L276 WeakPolarHBondContact O-CB 3.5Å; A273-L276 PolarHBondContact O-N 2.74Å; A273-T277 WeakPolarHBondContact O-CG2 3.45Å; A273-T277 PolarHBondContact O-N 2.98Å
274I94.3Very high94.1Very high42 Ų4245.8 Ų45.822%0.21524%0.243CC..Hα-helixtrans-61.6-49.7175.3-68.6165.1000110.6L250 T270 Y271 I272 L276 T277 H278L250-I274 HydrophobicContact CD1-CG1 4.34Å; T270-I274 HydrophobicContact CG2-CD1 3.91Å; T270-I274 VanDerWaalsContact O-CG1 3.28Å; T270-I274 WeakPolarHBondContact O-CG1 3.19Å; T270-I274 PolarHBondContact O-N 3.09Å; Y271-I274 PolarHBondContact O-N 2.93Å; I272-I274 PolarHBondContact O-N 3.34Å; I274-L276 VanDerWaalsContact C-N 3.26Å; I274-L276 PolarHBondContact O-N 3.19Å; I274-T277 PolarHBondContact O-N 3Å; I274-T277 PolarHBondContact O-OG1 2.89Å; I274-H278 PolarHBondContact O-N 3.26Å
275F97.4Very high94.3Very high39 Ų3938.4 Ų38.417%0.17121%0.21CC..Hα-helixtrans-59.3-37.5177.5-63.4-37.6000112.5Y12 I15 E16 I19 Y271 I272 G279Y12-F275 AromaticContact CD2-CE1 3.48Å; Y12-F275 HydrophobicContact CD2-CE1 3.48Å; Y12-F275 VanDerWaalsContact CD2-CE1 3.48Å; Y12-F275 AromaticContact CD2-CZ 3.62Å; Y12-F275 HydrophobicContact CD2-CZ 3.62Å; Y12-F275 AromaticContact CE2-CE1 3.75Å; Y12-F275 HydrophobicContact CE2-CE1 3.75Å; Y12-F275 HydrophobicContact CE2-CZ 4.32Å; I15-F275 HydrophobicContact CB-CE1 4.11Å; I15-F275 HydrophobicContact CB-CZ 4.18Å; I15-F275 HydrophobicContact CD1-CE2 3.98Å; I15-F275 HydrophobicContact CD1-CZ 4.03Å; I15-F275 HydrophobicContact CG2-CD1 3.74Å; I15-F275 HydrophobicContact CG2-CD2 4.27Å; I15-F275 HydrophobicContact CG2-CE1 3.78Å; I15-F275 HydrophobicContact CG2-CE2 4.31Å; I15-F275 HydrophobicContact CG2-CG 4Å; I15-F275 HydrophobicContact CG2-CZ 4.06Å; E16-F275 HydrophobicContact CG-CD1 4.48Å; E16-F275 HydrophobicContact CG-CE1 4.04Å; I19-F275 HydrophobicContact CD1-CB 4.39Å; I19-F275 HydrophobicContact CD1-CD1 4.39Å; Y271-F275 WeakPolarHBondContact O-CD2 3.02Å; Y271-F275 VanDerWaalsContact O-CG 3.22Å; Y271-F275 WeakPolarHBondContact O-CG 3.47Å; Y271-F275 PolarHBondContact O-N 3.17Å; I272-F275 PolarHBondContact O-N 3.03Å; F275-G279 WeakPolarHBondContact O-CA 3.31Å; F275-G279 PolarHBondContact O-N 3.34Å
276L97.7Very high94.5Very high67 Ų6739.8 Ų39.835%0.35122%0.219SC..Hα-helixtrans-63.3-41.4174.7-78.7173000112.1S246 P249 I272 A273 I274 N280S246-L276 VanDerWaalsContact CB-O 3.25Å; S246-L276 WeakPolarHBondContact CB-O 3.24Å; S246-L276 PolarHBondContact OG-O 2.87Å; P249-L276 HydrophobicContact CG-CD1 4.23Å; I272-L276 HydrophobicContact CG2-CD1 4.09Å; I272-L276 HydrophobicContact CG2-CG 4.43Å; I272-L276 WeakPolarHBondContact O-CB 3.44Å; I272-L276 WeakPolarHBondContact O-CG 3.1Å; I272-L276 PolarHBondContact O-N 3.35Å; A273-L276 WeakPolarHBondContact O-CB 3.5Å; A273-L276 PolarHBondContact O-N 2.74Å; I274-L276 VanDerWaalsContact C-N 3.26Å; I274-L276 PolarHBondContact O-N 3.19Å; L276-N280 PolarHBondContact O-N 3.07Å; L276-N280 VanDerWaalsContact O-N 3.09Å
277T97.1Very high94.7Very high3 Ų337.8 Ų37.82%0.01821%0.205CC..Hα-helixtrans-66.7-45.5177.3590000112.5S246 W247 L250 A273 I274 N280S246-T277 WeakPolarHBondContact O-CG2 3.31Å; W247-T277 HydrophobicContact CD2-CG2 3.78Å; W247-T277 HydrophobicContact CE3-CG2 3.54Å; W247-T277 HydrophobicContact CG-CG2 4.37Å; W247-T277 HydrophobicContact CH2-CG2 4.12Å; W247-T277 HydrophobicContact CZ2-CG2 4.38Å; W247-T277 HydrophobicContact CZ3-CG2 3.72Å; L250-T277 HydrophobicContact CB-CG2 4.07Å; L250-T277 HydrophobicContact CD2-CG2 3.84Å; A273-T277 WeakPolarHBondContact O-CG2 3.45Å; A273-T277 PolarHBondContact O-N 2.98Å; I274-T277 PolarHBondContact O-N 3Å; I274-T277 PolarHBondContact O-OG1 2.89Å; T277-N280 WeakPolarHBondContact O-CB 3.35Å; T277-N280 PolarHBondContact O-N 3Å
278H96.6Very high94.8Very high13 Ų1334 Ų346%0.0618%0.178CC..Hα-helixtrans-68.4-43.4177.3-65.3171.3000111.5E16 I19 I63 I274 N280 S281E16-H278 IonicContact OE1-CE1 2.69Å; E16-H278 PolarHBondContact OE1-CE1 3.2Å; E16-H278 VanDerWaalsContact OE1-CE1 3.3Å; E16-H278 IonicContact OE1-ND1 2.72Å; E16-H278 PolarHBondContact OE1-ND1 3.5Å; E16-H278 IonicContact OE2-CE1 3.46Å; E16-H278 IonicContact OE2-CG 3.75Å; E16-H278 IonicContact OE2-ND1 3.97Å; E16-H278 PolarHBondContact OE2-ND1 3.44Å; I19-H278 HydrophobicContact CD1-CB 4.41Å; I19-H278 HydrophobicContact CG2-CB 4.1Å; I63-H278 HydrophobicContact CD1-CB 4.06Å; I63-H278 HydrophobicContact CG1-CB 4.28Å; I274-H278 PolarHBondContact O-N 3.26Å; H278-N280 PolarHBondContact O-N 3.48Å; H278-S281 VanDerWaalsContact O-CB 3.29Å; H278-S281 WeakPolarHBondContact O-CB 3.39Å; H278-S281 PolarHBondContact O-N 2.92Å; H278-S281 VanDerWaalsContact O-N 3.09Å; H278-S281 PolarHBondContact O-OG 3.44Å
279G97.1Very high94.9Very high16 Ų1630.6 Ų30.617%0.16517%0.165CC..Hα-helixtrans-60.3-26.517800000113.7F275 S281 A282 M283F275-G279 WeakPolarHBondContact O-CA 3.31Å; F275-G279 PolarHBondContact O-N 3.34Å; G279-S281 PolarHBondContact O-N 3.46Å; G279-A282 WeakPolarHBondContact O-CB 3.28Å; G279-A282 PolarHBondContact O-N 2.84Å; G279-M283 PolarHBondContact O-N 3.27Å
280N96.2Very high94.9Very high3 Ų333.2 Ų33.22%0.01617%0.173CC..Hα-helixtrans-54.8-36.5173.5-177.976.4000113.1F243 L276 T277 H278 A282 M283F243-N280 WeakPolarHBondContact CA-OD1 3.42Å; L276-N280 PolarHBondContact O-N 3.07Å; L276-N280 VanDerWaalsContact O-N 3.09Å; T277-N280 WeakPolarHBondContact O-CB 3.35Å; T277-N280 PolarHBondContact O-N 3Å; H278-N280 PolarHBondContact O-N 3.48Å; N280-A282 PolarHBondContact O-N 3.34Å; N280-M283 VanDerWaalsContact CA-CE 3.49Å; N280-M283 HydrophobicContact CB-CE 3.9Å; N280-M283 PolarHBondContact O-N 2.86Å; N280-M283 VanDerWaalsContact O-N 3.09Å; N280-M283 WeakPolarHBondContact OD1-CE 3.35Å
281S95.9Very high94.8Very high3 Ų337.7 Ų37.72%0.02119%0.187CC..Hα-helixtrans-61.1-30.2177.6-43.20000112.3S23 N27 V58 H278 G279S23-S281 WeakPolarHBondContact OG-CB 3.45Å; N27-S281 PolarHBondContact ND2-O 3.02Å; V58-S281 VanDerWaalsContact CG1-OG 3.28Å; V58-S281 WeakPolarHBondContact CG1-OG 3.23Å; H278-S281 VanDerWaalsContact O-CB 3.29Å; H278-S281 WeakPolarHBondContact O-CB 3.39Å; H278-S281 PolarHBondContact O-N 2.92Å; H278-S281 VanDerWaalsContact O-N 3.09Å; H278-S281 PolarHBondContact O-OG 3.44Å; G279-S281 PolarHBondContact O-N 3.46Å
282A95.7Very high94.5Very high11 Ų1136 Ų369%0.09118%0.181CC..Hα-helixtrans-83.1-20.3177.600000113.7V22 G279 N280 I286V22-A282 HydrophobicContact CB-CB 4.15Å; V22-A282 HydrophobicContact CG1-CB 3.81Å; G279-A282 WeakPolarHBondContact O-CB 3.28Å; G279-A282 PolarHBondContact O-N 2.84Å; N280-A282 PolarHBondContact O-N 3.34Å; A282-I286 WeakPolarHBondContact O-CD1 3.47Å; A282-I286 WeakPolarHBondContact O-CG1 3.31Å
283M94.9Very high94.2Very high47 Ų4739.7 Ų39.723%0.23220%0.197CC..Hα-helixtrans-72.6-35.3-174.5-67.6-162.4-81.900113.1L242 S246 G279 N280 I286 V287L242-M283 HydrophobicContact CB-CE 3.95Å; L242-M283 HydrophobicContact CB-SD 4.16Å; L242-M283 HydrophobicContact CD1-SD 4.22Å; L242-M283 HydrophobicContact CD2-SD 4.02Å; L242-M283 HydrophobicContact CG-SD 4.36Å; S246-M283 WeakPolarHBondContact OG-CE 3.41Å; G279-M283 PolarHBondContact O-N 3.27Å; N280-M283 VanDerWaalsContact CA-CE 3.49Å; N280-M283 HydrophobicContact CB-CE 3.9Å; N280-M283 PolarHBondContact O-N 2.86Å; N280-M283 VanDerWaalsContact O-N 3.09Å; N280-M283 WeakPolarHBondContact OD1-CE 3.35Å; M283-I286 WeakPolarHBondContact O-CB 3.5Å; M283-I286 PolarHBondContact O-N 2.99Å; M283-V287 WeakPolarHBondContact O-CG2 3.48Å; M283-V287 PolarHBondContact O-N 2.91Å
284N92.9Very high93.9Very high6 Ų644.3 Ų44.33%0.03222%0.217CC..Hα-helixtrans-57.3-55.1-173.8-74.2-25.3000113D55 I239 I286 V287 Y288D55-N284 PolarHBondContact OD2-ND2 2.99Å; I239-N284 WeakPolarHBondContact CG2-OD1 3.4Å; N284-I286 VanDerWaalsContact C-N 3.28Å; N284-I286 PolarHBondContact O-N 3.25Å; N284-V287 PolarHBondContact O-N 3.08Å; N284-Y288 HydrophobicContact CB-CE2 3.91Å; N284-Y288 WeakPolarHBondContact O-CD2 3.34Å; N284-Y288 PolarHBondContact O-N 3.22Å
285P94.6Very high93.8Very high11 Ų1142.3 Ų42.37%0.07121%0.207CC..Hα-helixtrans-56.1-40.1176.6-25.534.3000113.8G26 N27 V30 Y288 A289G26-P285 WeakPolarHBondContact O-CG 3.18Å; N27-P285 HydrophobicContact CB-CG 4.39Å; N27-P285 WeakPolarHBondContact OD1-CG 3.29Å; V30-P285 HydrophobicContact CG2-CB 3.96Å; V30-P285 HydrophobicContact CG2-CG 4Å; P285-Y288 PolarHBondContact O-N 3.26Å; P285-A289 WeakPolarHBondContact O-CB 3.03Å; P285-A289 PolarHBondContact O-N 3.42Å
286I94.8Very high93.6Very high82 Ų8245.9 Ų45.942%0.42122%0.219SC..Hα-helixtrans-62.8-51.5179.3-61.5172.3000109.3V22 A282 M283 N284 Y288 A289 F290V22-I286 HydrophobicContact CG1-CD1 4.46Å; A282-I286 WeakPolarHBondContact O-CD1 3.47Å; A282-I286 WeakPolarHBondContact O-CG1 3.31Å; M283-I286 WeakPolarHBondContact O-CB 3.5Å; M283-I286 PolarHBondContact O-N 2.99Å; N284-I286 VanDerWaalsContact C-N 3.28Å; N284-I286 PolarHBondContact O-N 3.25Å; I286-Y288 VanDerWaalsContact C-N 3.29Å; I286-Y288 PolarHBondContact O-N 2.95Å; I286-A289 PolarHBondContact O-N 3.32Å; I286-A289 VanDerWaalsContact O-N 3.15Å; I286-F290 HydrophobicContact CG2-CD2 3.75Å; I286-F290 HydrophobicContact CG2-CE2 3.87Å; I286-F290 VanDerWaalsContact O-CD2 3.27Å; I286-F290 WeakPolarHBondContact O-CD2 3.46Å; I286-F290 PolarHBondContact O-N 3.24Å
287V93.3Very high93.4Very high14 Ų1446.9 Ų46.99%0.08523%0.227CC..Hα-helixtrans-59.2-41.9178.2176.80000111L238 I239 L242 M283 N284 A289 F290 R291L238-V287 HydrophobicContact CD2-CG1 4.29Å; I239-V287 HydrophobicContact CD1-CG1 4.02Å; I239-V287 HydrophobicContact CG1-CB 4.21Å; I239-V287 HydrophobicContact CG1-CG1 3.71Å; L242-V287 HydrophobicContact CD1-CG2 3.67Å; M283-V287 WeakPolarHBondContact O-CG2 3.48Å; M283-V287 PolarHBondContact O-N 2.91Å; N284-V287 PolarHBondContact O-N 3.08Å; V287-A289 PolarHBondContact O-N 3.47Å; V287-F290 PolarHBondContact O-N 3.22Å; V287-R291 HydrophobicContact CG1-CB 4.46Å; V287-R291 HydrophobicContact CG1-CG 4.03Å; V287-R291 WeakPolarHBondContact O-CB 3.38Å; V287-R291 WeakPolarHBondContact O-CG 3.42Å; V287-R291 PolarHBondContact O-N 3.28Å
288Y91.7Very high93.3Very high2 Ų247 Ų471%0.00823%0.228CC..Hα-helixtrans-61.3-44.6176.2-60.2-35.9000112.5V30 I48 I239 N284 P285 I286 F290 R291 I292 F295V30-Y288 HydrophobicContact CG1-CD2 4.34Å; V30-Y288 HydrophobicContact CG1-CE2 4.31Å; V30-Y288 HydrophobicContact CG2-CD2 3.76Å; V30-Y288 HydrophobicContact CG2-CE2 4.27Å; I48-Y288 HydrophobicContact CG2-CE2 3.79Å; I239-Y288 HydrophobicContact CD1-CD1 3.92Å; I239-Y288 HydrophobicContact CD1-CE1 3.23Å; N284-Y288 HydrophobicContact CB-CE2 3.91Å; N284-Y288 WeakPolarHBondContact O-CD2 3.34Å; N284-Y288 PolarHBondContact O-N 3.22Å; P285-Y288 PolarHBondContact O-N 3.26Å; I286-Y288 VanDerWaalsContact C-N 3.29Å; I286-Y288 PolarHBondContact O-N 2.95Å; Y288-F290 PolarHBondContact O-N 2.89Å; Y288-R291 PolarHBondContact O-N 3.03Å; Y288-I292 HydrophobicContact CD1-CD1 3.55Å; Y288-I292 HydrophobicContact CD1-CG1 4.42Å; Y288-I292 HydrophobicContact CE1-CD1 4.19Å; Y288-I292 HydrophobicContact CG-CD1 4.4Å; Y288-I292 WeakPolarHBondContact O-CA 3.4Å; Y288-I292 WeakPolarHBondContact O-CB 3.42Å; Y288-I292 PolarHBondContact O-N 3.02Å; Y288-F295 HydrophobicContact CG-CD2 4.22Å; Y288-F295 HydrophobicContact CG-CE2 4.3Å
289A92.8Very high93.2Very high27 Ų2747.4 Ų47.422%0.22323%0.23CC..Hα-helixtrans-62.2-40.8177.300000112.3P285 I286 V287 R296 F299P285-A289 WeakPolarHBondContact O-CB 3.03Å; P285-A289 PolarHBondContact O-N 3.42Å; I286-A289 PolarHBondContact O-N 3.32Å; I286-A289 VanDerWaalsContact O-N 3.15Å; V287-A289 PolarHBondContact O-N 3.47Å; A289-R296 WeakPolarHBondContact O-CB 3.39Å; A289-R296 PolarHBondContact O-NE 3.2Å; A289-R296 PolarHBondContact O-NH2 2.92Å; A289-F299 HydrophobicContact CB-CD2 3.86Å; A289-F299 HydrophobicContact CB-CE2 3.93Å
290F92.4Very high93.1Very high143 Ų14351.4 Ų51.463%0.62725%0.247SC*.Hα-helixtrans-78.3-32.1-178.8-81.9-80000113.3I286 V287 Y288 R296I286-F290 HydrophobicContact CG2-CD2 3.75Å; I286-F290 HydrophobicContact CG2-CE2 3.87Å; I286-F290 VanDerWaalsContact O-CD2 3.27Å; I286-F290 WeakPolarHBondContact O-CD2 3.46Å; I286-F290 PolarHBondContact O-N 3.24Å; V287-F290 PolarHBondContact O-N 3.22Å; Y288-F290 PolarHBondContact O-N 2.89Å; F290-R296 PolarHBondContact O-NH2 2.87Å
291R89.4Confident93Very high124 Ų12457.5 Ų57.547%0.46827%0.273SS..Hα-helixtrans-113-22.7-166.7-60.6-72.6-69.7179.8-11.3114.9S235 V287 Y288S235-R291 WeakPolarHBondContact OG-CB 3.19Å; S235-R291 PolarHBondContact OG-NE 3.3Å; V287-R291 HydrophobicContact CG1-CB 4.46Å; V287-R291 HydrophobicContact CG1-CG 4.03Å; V287-R291 WeakPolarHBondContact O-CB 3.38Å; V287-R291 WeakPolarHBondContact O-CG 3.42Å; V287-R291 PolarHBondContact O-N 3.28Å; Y288-R291 PolarHBondContact O-N 3.03Å
292I87Confident92.9Very high22 Ų2257.7 Ų57.711%0.11327%0.274CS..  trans-114102.1-176.2-52.3-176.1000109.5Y288 K294 F295 R296Y288-I292 HydrophobicContact CD1-CD1 3.55Å; Y288-I292 HydrophobicContact CD1-CG1 4.42Å; Y288-I292 HydrophobicContact CE1-CD1 4.19Å; Y288-I292 HydrophobicContact CG-CD1 4.4Å; Y288-I292 WeakPolarHBondContact O-CA 3.4Å; Y288-I292 WeakPolarHBondContact O-CB 3.42Å; Y288-I292 PolarHBondContact O-N 3.02Å; I292-K294 VanDerWaalsContact C-N 3.25Å; I292-K294 PolarHBondContact O-N 3.38Å; I292-K294 VanDerWaalsContact O-N 3.14Å; I292-F295 HydrophobicContact CB-CB 4.36Å; I292-F295 HydrophobicContact CB-CD2 3.89Å; I292-F295 HydrophobicContact CD1-CD2 4.01Å; I292-F295 HydrophobicContact CD1-CE2 4.27Å; I292-F295 HydrophobicContact CG2-CD2 3.72Å; I292-F295 PolarHBondContact O-N 3.36Å; I292-R296 PolarHBondContact O-N 3.45Å; I292-R296 VanDerWaalsContact O-N 3.09Å
293Q89Confident92.8Very high157 Ų15764.4 Ų64.473%0.73430%0.297SS*.Hα-helixtrans-52.9-40.1-175.7-174.9179.6-2.700113.5F295 R296 V297Q293-F295 VanDerWaalsContact C-N 3.34Å; Q293-F295 PolarHBondContact O-N 3.2Å; Q293-R296 PolarHBondContact O-N 3.36Å; Q293-V297 HydrophobicContact CG-CG2 4.47Å; Q293-V297 WeakPolarHBondContact O-CG2 3.27Å; Q293-V297 PolarHBondContact O-N 3.02Å
294K90.4Very high92.7Very high99 Ų9965.1 Ų65.143%0.4330%0.302SS..Hα-helixtrans-61.9-40.9178.9-65.8-177.4176.9-178.10112.3A39 L40 I292 T298A39-K294 PolarHBondContact O-NZ 2.87Å; L40-K294 HydrophobicContact CD2-CB 3.64Å; L40-K294 HydrophobicContact CD2-CD 3.79Å; L40-K294 HydrophobicContact CD2-CG 4.4Å; L40-K294 HydrophobicContact CG-CB 4.44Å; I292-K294 VanDerWaalsContact C-N 3.25Å; I292-K294 PolarHBondContact O-N 3.38Å; I292-K294 VanDerWaalsContact O-N 3.14Å; K294-T298 WeakPolarHBondContact O-CB 3.16Å; K294-T298 PolarHBondContact O-N 3.49Å; K294-T298 PolarHBondContact O-OG1 2.82Å
295F92.1Very high92.6Very high0 Ų069.4 Ų69.40%033%0.325CS..Hα-helixtrans-66.4-48.4174.9-85.5-65.1000110.7V30 A33 V34 L40 F45 I48 Y288 I292 Q293 V297 T298 F299V30-F295 HydrophobicContact CG1-CE1 4.06Å; V30-F295 HydrophobicContact CG1-CZ 4.18Å; A33-F295 HydrophobicContact CB-CD1 3.87Å; A33-F295 HydrophobicContact CB-CE1 3.98Å; V34-F295 HydrophobicContact CG2-CE1 3.87Å; V34-F295 HydrophobicContact CG2-CZ 3.83Å; L40-F295 HydrophobicContact CD1-CD1 4.06Å; L40-F295 HydrophobicContact CD1-CE1 3.94Å; L40-F295 HydrophobicContact CD1-CZ 4.37Å; F45-F295 AromaticContact CD1-CE2 3.9Å; F45-F295 HydrophobicContact CD1-CE2 3.9Å; F45-F295 AromaticContact CD1-CZ 3.95Å; F45-F295 HydrophobicContact CD1-CZ 3.95Å; F45-F295 AromaticContact CE1-CE2 3.7Å; F45-F295 HydrophobicContact CE1-CE2 3.7Å; F45-F295 HydrophobicContact CE1-CZ 4.19Å; I48-F295 HydrophobicContact CG2-CZ 4.2Å; Y288-F295 HydrophobicContact CG-CD2 4.22Å; Y288-F295 HydrophobicContact CG-CE2 4.3Å; I292-F295 HydrophobicContact CB-CB 4.36Å; I292-F295 HydrophobicContact CB-CD2 3.89Å; I292-F295 HydrophobicContact CD1-CD2 4.01Å; I292-F295 HydrophobicContact CD1-CE2 4.27Å; I292-F295 HydrophobicContact CG2-CD2 3.72Å; I292-F295 PolarHBondContact O-N 3.36Å; Q293-F295 VanDerWaalsContact C-N 3.34Å; Q293-F295 PolarHBondContact O-N 3.2Å; F295-V297 PolarHBondContact O-N 2.98Å; F295-T298 PolarHBondContact O-N 3.27Å; F295-F299 HydrophobicContact CB-CD2 4.45Å; F295-F299 HydrophobicContact CB-CE1 4.43Å; F295-F299 HydrophobicContact CB-CE2 3.99Å; F295-F299 HydrophobicContact CB-CZ 3.99Å; F295-F299 AromaticContact CD1-CE1 3.67Å; F295-F299 HydrophobicContact CD1-CE1 3.67Å; F295-F299 HydrophobicContact CD1-CE2 4.43Å; F295-F299 AromaticContact CD1-CZ 3.59Å; F295-F299 HydrophobicContact CD1-CZ 3.59Å; F295-F299 HydrophobicContact CE1-CE1 4.43Å; F295-F299 HydrophobicContact CE1-CZ 4.4Å; F295-F299 HydrophobicContact CG-CE1 4.49Å; F295-F299 HydrophobicContact CG-CZ 4.09Å; F295-F299 WeakPolarHBondContact O-CB 3.43Å; F295-F299 WeakPolarHBondContact O-CG 3.42Å; F295-F299 PolarHBondContact O-N 2.98Å
296R93.6Very high92.5Very high114 Ų11474.7 Ų74.743%0.4335%0.348SS..Hα-helixtrans-51.8-51.1178.3-172.8-176.8-67-172.2-3.3113A289 F290 I292 Q293 T298 F299 L300A289-R296 WeakPolarHBondContact O-CB 3.39Å; A289-R296 PolarHBondContact O-NE 3.2Å; A289-R296 PolarHBondContact O-NH2 2.92Å; F290-R296 PolarHBondContact O-NH2 2.87Å; I292-R296 PolarHBondContact O-N 3.45Å; I292-R296 VanDerWaalsContact O-N 3.09Å; Q293-R296 PolarHBondContact O-N 3.36Å; R296-T298 VanDerWaalsContact C-N 3.31Å; R296-T298 PolarHBondContact O-N 2.84Å; R296-F299 PolarHBondContact O-N 3.47Å; R296-L300 HydrophobicContact CG-CD1 4.2Å; R296-L300 WeakPolarHBondContact O-CG 3.33Å; R296-L300 PolarHBondContact O-N 3.31Å
297V94.7Very high92.3Very high87 Ų8775.8 Ų75.853%0.52735%0.35SS..Hα-helixtrans-62.5-41.4179.8173.10000111Q293 F295 K301Q293-V297 HydrophobicContact CG-CG2 4.47Å; Q293-V297 WeakPolarHBondContact O-CG2 3.27Å; Q293-V297 PolarHBondContact O-N 3.02Å; F295-V297 PolarHBondContact O-N 2.98Å; V297-K301 WeakPolarHBondContact O-CB 3.25Å; V297-K301 PolarHBondContact O-N 3.46Å
298T94.1Very high92.1Very high7 Ų782.1 Ų82.14%0.04337%0.372CS..Hα-helixtrans-69.7-39.3-179.5-48.40000111.7A33 V36 N37 K294 F295 R296 K301 I302A33-T298 HydrophobicContact CB-CG2 3.67Å; V36-T298 HydrophobicContact CG1-CG2 3.63Å; N37-T298 HydrophobicContact CB-CG2 4.07Å; N37-T298 PolarHBondContact ND2-OG1 2.88Å; K294-T298 WeakPolarHBondContact O-CB 3.16Å; K294-T298 PolarHBondContact O-N 3.49Å; K294-T298 PolarHBondContact O-OG1 2.82Å; F295-T298 PolarHBondContact O-N 3.27Å; R296-T298 VanDerWaalsContact C-N 3.31Å; R296-T298 PolarHBondContact O-N 2.84Å; T298-K301 PolarHBondContact O-N 3.31Å; T298-I302 HydrophobicContact CG2-CD1 4.04Å; T298-I302 WeakPolarHBondContact O-CG1 3.24Å; T298-I302 PolarHBondContact O-N 2.92Å
299F95.4Very high91.6Very high21 Ų2188.2 Ų88.29%0.09241%0.414CS..Hα-helixtrans-62.6-45.2175.7-66.2-14.8000111.7L29 V30 A33 A289 F295 R296 K301 I302 W303L29-F299 HydrophobicContact CB-CE1 4.44Å; L29-F299 HydrophobicContact CD1-CD1 4.34Å; L29-F299 HydrophobicContact CD2-CB 4.01Å; L29-F299 HydrophobicContact CD2-CD1 3.67Å; L29-F299 HydrophobicContact CD2-CD2 4.27Å; L29-F299 HydrophobicContact CD2-CE1 4.13Å; L29-F299 HydrophobicContact CD2-CG 3.74Å; L29-F299 HydrophobicContact CG-CD1 3.54Å; L29-F299 HydrophobicContact CG-CE1 3.78Å; L29-F299 HydrophobicContact CG-CG 4.16Å; V30-F299 HydrophobicContact CG2-CZ 3.88Å; A33-F299 HydrophobicContact CB-CD1 3.9Å; A33-F299 HydrophobicContact CB-CE1 3.57Å; A289-F299 HydrophobicContact CB-CD2 3.86Å; A289-F299 HydrophobicContact CB-CE2 3.93Å; F295-F299 HydrophobicContact CB-CD2 4.45Å; F295-F299 HydrophobicContact CB-CE1 4.43Å; F295-F299 HydrophobicContact CB-CE2 3.99Å; F295-F299 HydrophobicContact CB-CZ 3.99Å; F295-F299 AromaticContact CD1-CE1 3.67Å; F295-F299 HydrophobicContact CD1-CE1 3.67Å; F295-F299 HydrophobicContact CD1-CE2 4.43Å; F295-F299 AromaticContact CD1-CZ 3.59Å; F295-F299 HydrophobicContact CD1-CZ 3.59Å; F295-F299 HydrophobicContact CE1-CE1 4.43Å; F295-F299 HydrophobicContact CE1-CZ 4.4Å; F295-F299 HydrophobicContact CG-CE1 4.49Å; F295-F299 HydrophobicContact CG-CZ 4.09Å; F295-F299 WeakPolarHBondContact O-CB 3.43Å; F295-F299 WeakPolarHBondContact O-CG 3.42Å; F295-F299 PolarHBondContact O-N 2.98Å; R296-F299 PolarHBondContact O-N 3.47Å; F299-K301 VanDerWaalsContact C-N 3.3Å; F299-K301 PolarHBondContact O-N 3.01Å; F299-I302 PolarHBondContact O-N 3.16Å; F299-W303 WeakPolarHBondContact O-CB 3.37Å; F299-W303 PolarHBondContact O-N 3.46Å
300L94.3Very high90.9Very high100 Ų10093.7 Ų93.752%0.52444%0.435SS..Hα-helixtrans-62.9-37.9175.7-71.1167.7000111.9R296 N304R296-L300 HydrophobicContact CG-CD1 4.2Å; R296-L300 WeakPolarHBondContact O-CG 3.33Å; R296-L300 PolarHBondContact O-N 3.31Å; L300-N304 WeakPolarHBondContact O-CB 3.38Å; L300-N304 PolarHBondContact O-N 3.34Å; L300-N304 PolarHBondContact O-ND2 2.94Å
301K94.3Very high90Very high131 Ų13192.5 Ų92.557%0.5744%0.441SS*.Hα-helixtrans-63-53.7174.7-174.8175.5-178.4-1790111.3V297 T298 F299 W303 N304 D305V297-K301 WeakPolarHBondContact O-CB 3.25Å; V297-K301 PolarHBondContact O-N 3.46Å; T298-K301 PolarHBondContact O-N 3.31Å; F299-K301 VanDerWaalsContact C-N 3.3Å; F299-K301 PolarHBondContact O-N 3.01Å; K301-W303 VanDerWaalsContact C-N 3.25Å; K301-W303 PolarHBondContact O-N 2.95Å; K301-N304 PolarHBondContact O-N 3.43Å; K301-D305 VanDerWaalsContact CE-OD2 3.26Å; K301-D305 WeakPolarHBondContact CE-OD2 3.27Å; K301-D305 VanDerWaalsContact CG-OD2 3.27Å; K301-D305 WeakPolarHBondContact CG-OD2 3.37Å; K301-D305 WeakPolarHBondContact O-CB 3.25Å; K301-D305 PolarHBondContact O-N 3.33Å
302I94.2Very high89Confident6 Ų690.7 Ų90.73%0.03145%0.453CS..Hα-helixtrans-57.4-41.5178.1-66.8166.3000110.9L29 W32 A33 V36 T298 F299 D305 H306 F307L29-I302 HydrophobicContact CD1-CB 4.01Å; L29-I302 HydrophobicContact CD1-CD1 3.91Å; L29-I302 HydrophobicContact CD1-CG2 3.56Å; W32-I302 HydrophobicContact CB-CD1 4.24Å; W32-I302 HydrophobicContact CD2-CD1 4.2Å; W32-I302 HydrophobicContact CD2-CG2 4.02Å; W32-I302 HydrophobicContact CE3-CG2 3.77Å; W32-I302 HydrophobicContact CG-CD1 3.94Å; W32-I302 HydrophobicContact CH2-CG2 4.01Å; W32-I302 HydrophobicContact CZ2-CG2 4.23Å; W32-I302 HydrophobicContact CZ3-CG2 3.77Å; A33-I302 HydrophobicContact CB-CD1 4.27Å; V36-I302 HydrophobicContact CG1-CD1 4.27Å; T298-I302 HydrophobicContact CG2-CD1 4.04Å; T298-I302 WeakPolarHBondContact O-CG1 3.24Å; T298-I302 PolarHBondContact O-N 2.92Å; F299-I302 PolarHBondContact O-N 3.16Å; I302-D305 PolarHBondContact O-N 2.88Å; I302-H306 WeakPolarHBondContact O-CB 3.44Å; I302-H306 PolarHBondContact O-N 2.93Å; I302-F307 HydrophobicContact CG2-CD2 4.1Å; I302-F307 HydrophobicContact CG2-CE2 3.82Å
303W93.6Very high88.1Confident153 Ų15394.9 Ų94.958%0.5848%0.482SS*.Iπ-helixtrans-60.1-51.2176.9-178-90.8000112F299 K301 D305 F307 R308F299-W303 WeakPolarHBondContact O-CB 3.37Å; F299-W303 PolarHBondContact O-N 3.46Å; K301-W303 VanDerWaalsContact C-N 3.25Å; K301-W303 PolarHBondContact O-N 2.95Å; W303-D305 VanDerWaalsContact C-N 3.33Å; W303-D305 PolarHBondContact O-N 3.28Å; W303-F307 HydrophobicContact CD2-CB 3.99Å; W303-F307 HydrophobicContact CE3-CB 3.68Å; W303-F307 HydrophobicContact CE3-CG 4.3Å; W303-F307 HydrophobicContact CZ3-CB 3.99Å; W303-F307 CarbonylContact O-C 3.45Å; W303-F307 WeakPolarHBondContact O-CA 3.41Å; W303-F307 PolarHBondContact O-N 3.46Å; W303-R308 PolarHBondContact O-N 2.96Å
304N92.3Very high87Confident61 Ų6192.9 Ų92.933%0.32648%0.483SS..Iπ-helixtrans-64-37.5-180-76.9-46000113L300 K301 R308L300-N304 WeakPolarHBondContact O-CB 3.38Å; L300-N304 PolarHBondContact O-N 3.34Å; L300-N304 PolarHBondContact O-ND2 2.94Å; K301-N304 PolarHBondContact O-N 3.43Å; N304-R308 WeakPolarHBondContact OD1-CD 3.46Å; N304-R308 PolarHBondContact OD1-NH1 3.41Å; N304-R308 VanDerWaalsContact OD1-NH1 3.08Å
305D91.5Very high85.9Confident97 Ų9795.2 Ų95.252%0.51950%0.498SS..Iπ-helixtrans-80.9-28.2-173.7-63.4-6.7000112.4K301 I302 W303K301-D305 VanDerWaalsContact CE-OD2 3.26Å; K301-D305 WeakPolarHBondContact CE-OD2 3.27Å; K301-D305 VanDerWaalsContact CG-OD2 3.27Å; K301-D305 WeakPolarHBondContact CG-OD2 3.37Å; K301-D305 WeakPolarHBondContact O-CB 3.25Å; K301-D305 PolarHBondContact O-N 3.33Å; I302-D305 PolarHBondContact O-N 2.88Å; W303-D305 VanDerWaalsContact C-N 3.33Å; W303-D305 PolarHBondContact O-N 3.28Å
306H92.3Very high84.4Confident121 Ų121102.5 Ų102.556%0.5654%0.537SS*.Iπ-helixtrans-130.7-26.4-170-62.6-70.5000116.3W32 I302W32-H306 HydrophobicContact CH2-CB 3.97Å; W32-H306 AromaticContact CH2-CD2 3.56Å; W32-H306 AromaticContact CH2-CG 3.66Å; W32-H306 AromaticContact CZ2-CD2 3.44Å; W32-H306 VanDerWaalsContact CZ2-CD2 3.44Å; W32-H306 WeakPolarHBondContact CZ2-CD2 3.37Å; W32-H306 AromaticContact CZ2-CG 3.96Å; W32-H306 AromaticContact CZ2-NE2 3.56Å; I302-H306 WeakPolarHBondContact O-CB 3.44Å; I302-H306 PolarHBondContact O-N 2.93Å
307F89.7Confident82.7Confident106 Ų106105.5 Ų105.547%0.46556%0.556SS.*Iπ-helixtrans-115.8-8.8-172.8-65.7-77.3000113.8W32 I302 W303 C309W32-F307 HydrophobicContact CE3-CE2 4.34Å; W32-F307 HydrophobicContact CH2-CE2 4.27Å; W32-F307 AromaticContact CZ3-CE2 3.57Å; W32-F307 HydrophobicContact CZ3-CE2 3.57Å; W32-F307 AromaticContact CZ3-CZ 3.81Å; W32-F307 HydrophobicContact CZ3-CZ 3.81Å; I302-F307 HydrophobicContact CG2-CD2 4.1Å; I302-F307 HydrophobicContact CG2-CE2 3.82Å; W303-F307 HydrophobicContact CD2-CB 3.99Å; W303-F307 HydrophobicContact CE3-CB 3.68Å; W303-F307 HydrophobicContact CE3-CG 4.3Å; W303-F307 HydrophobicContact CZ3-CB 3.99Å; W303-F307 CarbonylContact O-C 3.45Å; W303-F307 WeakPolarHBondContact O-CA 3.41Å; W303-F307 PolarHBondContact O-N 3.46Å; F307-C309 PolarHBondContact O-N 3.19Å
308R88.9Confident80.9Confident146 Ų146108.7 Ų108.755%0.55157%0.57SS**  trans-76112.4176.8-172.8171180175.2-5.1108.5W303 N304 Q310W303-R308 PolarHBondContact O-N 2.96Å; N304-R308 WeakPolarHBondContact OD1-CD 3.46Å; N304-R308 PolarHBondContact OD1-NH1 3.41Å; N304-R308 VanDerWaalsContact OD1-NH1 3.08Å; R308-Q310 VanDerWaalsContact C-N 3.29Å; R308-Q310 HydrophobicContact CG-CG 4.42Å; R308-Q310 PolarHBondContact O-N 3.23Å
309C81.4Confident79.1Confident130 Ų130116.1 Ų116.188%0.87861%0.609SS**  trans-62.293.8166.8-65.50000108.6F307F307-C309 PolarHBondContact O-N 3.19Å
310Q77.7Confident77Confident142 Ų142120.8 Ų120.866%0.66464%0.641SS**PPolyproline II helixtrans-78.1141.3166.1-65.5-172.35.400107.8R308 A312R308-Q310 VanDerWaalsContact C-N 3.29Å; R308-Q310 HydrophobicContact CG-CG 4.42Å; R308-Q310 PolarHBondContact O-N 3.23Å; Q310-A312 PolarHBondContact O-N 2.99Å
311P73.8Confident74.9Confident118 Ų118125.2 Ų125.277%0.76666%0.659SS**PPolyproline II helixtrans-53.5138.3168.6-16.828.8000108.5
312A68.2Low73Confident86 Ų86128 Ų12871%0.71167%0.674SS**PPolyproline II helixtrans-52.6138.3170.600000108.4Q310Q310-A312 PolarHBondContact O-N 2.99Å
313P68.1Low71.1Confident111 Ų111138.2 Ų138.272%0.72171%0.712SS**PPolyproline II helixtrans-54.8141.1172.323.5-31.2000108.5I315P313-I315 PolarHBondContact O-N 3.25Å
314P65.8Low69.5Low115 Ų115136.4 Ų136.475%0.74772%0.72SS**PPolyproline II helixtrans-54133.9175.222.3-30.8000108.8D316P314-D316 PolarHBondContact O-N 3.3Å
315I67.9Low68Low148 Ų148140.9 Ų140.976%0.75974%0.744SS**PPolyproline II helixtrans-66.5116.7167.8-58.9174.4000104.5P313 E317P313-I315 PolarHBondContact O-N 3.25Å; I315-E317 VanDerWaalsContact C-N 3.31Å; I315-E317 PolarHBondContact O-N 3.45Å
316D60.8Low65.9Low153 Ų153147.6 Ų147.682%0.81878%0.78SS**  trans-62.797.2170.1-81.9-33.2000107.4P314 D318P314-D316 PolarHBondContact O-N 3.3Å; D316-D318 PolarHBondContact O-N 2.89Å
317E58.1Low64.6Low176 Ų176149 Ų14982%0.82279%0.791SS**  trans-87.919.8177.7-120.5-179.8-167.500112.4I315I315-E317 VanDerWaalsContact C-N 3.31Å; I315-E317 PolarHBondContact O-N 3.45Å
318D57.1Low63.3Low155 Ų155151.2 Ų151.283%0.82981%0.808SS**  trans-124.276.2178.4-76-39.3000111.2D316D316-D318 PolarHBondContact O-N 2.89Å
319L54.8Low61.9Low163 Ų163151.5 Ų151.585%0.85382%0.823SS**  trans-103.8119.6150.2-84.1164.3000107E321L319-E321 PolarHBondContact O-N 3.39Å
320P53Low60.7Low119 Ų119152.8 Ų152.877%0.77382%0.819SS**  trans-61.2132.7172.6-11.924.1000109.3E322P320-E322 PolarHBondContact O-N 3.02Å
321E49.9Very low59.7Low193 Ų193153.4 Ų153.490%0.90283%0.829SS**  trans-51.1111.4162.8-84.1179.2146.200108.7L319 R323L319-E321 PolarHBondContact O-N 3.39Å; E321-R323 PolarHBondContact O-N 3.24Å
322E53.1Low58.7Low190 Ų190155.8 Ų155.889%0.88883%0.833SS**  trans-59.6106.2158.7-86.7-176.4161.600107P320P320-E322 PolarHBondContact O-N 3.02Å
323R55.3Low58Low220 Ų220160.8 Ų160.883%0.8384%0.842SS**  trans-61.6123.5168.7-158.3-174.4-60.1-179.32106.9E321 D325E321-R323 PolarHBondContact O-N 3.24Å; R323-D325 PolarHBondContact O-N 2.99Å
324P60.3Low57.3Low114 Ų114164.6 Ų164.674%0.7485%0.851SS**  trans-67.5121.4172.3-822.4000107.9D326P324-D326 PolarHBondContact O-N 3.16Å; P324-D326 VanDerWaalsContact O-N 3.16Å
325D59.7Low56.5Low155 Ų155168.8 Ų168.883%0.82986%0.86SS**  trans-66.6101.9155.2-76.4-35.1000106.7R323R323-D325 PolarHBondContact O-N 2.99Å
326D48.6Very low55.5Low239 Ų239170.6 Ų170.6100%1.27887%0.869SS**  trans177.50142.4-85.2-22.6000110.8P324P324-D326 PolarHBondContact O-N 3.16Å; P324-D326 VanDerWaalsContact O-N 3.16Å

Retrieved 326 of 326 residues in 149.2 ms (Link to these results)

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