G4VDR5_SCHMA Loading...

Tetratricopeptide repeat protein 30

Required for polyglutamylation of axonemal tubulin. Plays a role in anterograde intraflagellar transport (IFT), the process by which cilia precursors are transported from the base of the cilium to the site of their incorporation at the tip.

AlphaFold DB , UniProt , Accession G4VDR5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 676 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
1M49.4Very low79.9Confident236 Ų236112.4 Ų112.4100%1.16361%0.605SS**  0123.40-155.9173.2-171.700107.2I3M1-I3 PolarHBondContact O-N 3.01Å
2K68Low81.1Confident207 Ų207104.1 Ų104.190%0.956%0.56SS**  trans-73.9109.4176.2-80.2-175.1176.3-178.10108.1K4K2-K4 PolarHBondContact O-N 3.43Å
3I75.8Confident82.1Confident43 Ų43106.1 Ų106.122%0.22156%0.556CS.*PPolyproline II helixtrans-62132.6174.1-63.1168.5000107.7M1 E7 F8 A11 I27M1-I3 PolarHBondContact O-N 3.01Å; I3-E7 HydrophobicContact CG2-CB 3.98Å; I3-F8 HydrophobicContact CB-CD1 4.04Å; I3-F8 HydrophobicContact CB-CE1 3.69Å; I3-F8 HydrophobicContact CB-CZ 4.29Å; I3-F8 HydrophobicContact CD1-CD1 4.25Å; I3-F8 HydrophobicContact CD1-CE1 4.34Å; I3-F8 HydrophobicContact CG2-CD1 3.66Å; I3-F8 HydrophobicContact CG2-CE1 3.79Å; I3-F8 HydrophobicContact CG2-CG 4.11Å; I3-F8 HydrophobicContact CG2-CZ 4.33Å; I3-A11 HydrophobicContact CD1-CB 3.97Å; I3-A11 HydrophobicContact CG2-CB 4.42Å; I3-I27 HydrophobicContact CD1-CB 4.26Å; I3-I27 HydrophobicContact CD1-CD1 3.44Å; I3-I27 VanDerWaalsContact CD1-CD1 3.44Å; I3-I27 HydrophobicContact CD1-CG1 3.5Å; I3-I27 HydrophobicContact CD1-CG2 3.72Å
4K80.1Confident83Confident144 Ų144100.5 Ų100.563%0.62654%0.537SS*.PPolyproline II helixtrans-70147179.6-65.8176.8-176.6166.80110.1K2 G6 E7K2-K4 PolarHBondContact O-N 3.43Å; K4-G6 PolarHBondContact O-N 3.27Å; K4-E7 HydrophobicContact CB-CG 4.26Å; K4-E7 PolarHBondContact O-N 3.05Å
5E74.2Confident83.7Confident192 Ų19294.1 Ų94.190%0.89750%0.504SS*.THydrogen-bonded Turntrans-56.6124174.1-145.2172.4-173.900109.7
6G80.3Confident84.3Confident72 Ų7289.6 Ų89.674%0.74248%0.479SS*.THydrogen-bonded Turntrans97.8-15.8-173.800000116K4K4-G6 PolarHBondContact O-N 3.27Å
7E88.4Confident84.8Confident99 Ų9994.5 Ų94.546%0.46350%0.496SS..  trans-93.1-6.1178.3-67.3177.1179.100113.1I3 K4 T9 A10 A11I3-E7 HydrophobicContact CG2-CB 3.98Å; K4-E7 HydrophobicContact CB-CG 4.26Å; K4-E7 PolarHBondContact O-N 3.05Å; E7-T9 PolarHBondContact O-N 3.46Å; E7-A10 PolarHBondContact O-N 3.44Å; E7-A11 WeakPolarHBondContact O-CB 3.43Å; E7-A11 PolarHBondContact O-N 3.46Å
8F87.9Confident85.1Confident43 Ų4394.8 Ų94.819%0.18950%0.497CS..Hα-helixtrans-56.6-45.2-175.8-70.2-69.9000113.7I3 A10 A11 I12 I27 Q31I3-F8 HydrophobicContact CB-CD1 4.04Å; I3-F8 HydrophobicContact CB-CE1 3.69Å; I3-F8 HydrophobicContact CB-CZ 4.29Å; I3-F8 HydrophobicContact CD1-CD1 4.25Å; I3-F8 HydrophobicContact CD1-CE1 4.34Å; I3-F8 HydrophobicContact CG2-CD1 3.66Å; I3-F8 HydrophobicContact CG2-CE1 3.79Å; I3-F8 HydrophobicContact CG2-CG 4.11Å; I3-F8 HydrophobicContact CG2-CZ 4.33Å; F8-A10 PolarHBondContact O-N 3.24Å; F8-A11 PolarHBondContact O-N 3.48Å; F8-I12 HydrophobicContact CB-CD1 4.46Å; F8-I12 WeakPolarHBondContact O-CB 3.49Å; F8-I12 WeakPolarHBondContact O-CD1 3.48Å; F8-I12 VanDerWaalsContact O-CG1 3.24Å; F8-I12 WeakPolarHBondContact O-CG1 3.47Å; F8-I12 PolarHBondContact O-N 3.4Å; F8-I27 HydrophobicContact CD1-CG2 3.89Å; F8-I27 HydrophobicContact CE1-CG2 4.45Å; F8-Q31 VanDerWaalsContact CZ-NE2 3.3Å
9T90.1Very high85.3Confident94 Ų9495.1 Ų95.158%0.57750%0.496SS*.Hα-helixtrans-60.9-47.5179.9-53.60000111E7 A11 I12 Y13E7-T9 PolarHBondContact O-N 3.46Å; T9-A11 VanDerWaalsContact C-N 3.33Å; T9-A11 PolarHBondContact O-N 3Å; T9-I12 PolarHBondContact O-N 3.36Å; T9-Y13 HydrophobicContact CG2-CD2 3.66Å; T9-Y13 HydrophobicContact CG2-CE2 3.87Å; T9-Y13 WeakPolarHBondContact O-CB 3.28Å; T9-Y13 WeakPolarHBondContact O-CD2 3.44Å; T9-Y13 PolarHBondContact O-N 3.46Å
10A91.9Very high85.6Confident77 Ų7795.8 Ų95.864%0.63650%0.495SS*.Hα-helixtrans-63.9-39.9178.700000111.7E7 F8 G14E7-A10 PolarHBondContact O-N 3.44Å; F8-A10 PolarHBondContact O-N 3.24Å; A10-G14 WeakPolarHBondContact O-CA 3.4Å; A10-G14 PolarHBondContact O-N 3.29Å
11A93Very high85.9Confident29 Ų2992 Ų9224%0.2448%0.475CS..Hα-helixtrans-64.6-49177.300000112.3I3 E7 F8 T9 G14 A15 I27I3-A11 HydrophobicContact CD1-CB 3.97Å; I3-A11 HydrophobicContact CG2-CB 4.42Å; E7-A11 WeakPolarHBondContact O-CB 3.43Å; E7-A11 PolarHBondContact O-N 3.46Å; F8-A11 PolarHBondContact O-N 3.48Å; T9-A11 VanDerWaalsContact C-N 3.33Å; T9-A11 PolarHBondContact O-N 3Å; A11-G14 PolarHBondContact O-N 3.25Å; A11-A15 WeakPolarHBondContact O-CB 3.47Å; A11-A15 PolarHBondContact O-N 2.95Å; A11-I27 HydrophobicContact CB-CD1 4.21Å
12I94Very high87.9Confident13 Ų1386.5 Ų86.57%0.06744%0.444CS..Hα-helixtrans-65.7-51.9-178.3-65.4161.8000110.7F8 T9 G14 A15 I16 I27 L28 L44F8-I12 HydrophobicContact CB-CD1 4.46Å; F8-I12 WeakPolarHBondContact O-CB 3.49Å; F8-I12 WeakPolarHBondContact O-CD1 3.48Å; F8-I12 VanDerWaalsContact O-CG1 3.24Å; F8-I12 WeakPolarHBondContact O-CG1 3.47Å; F8-I12 PolarHBondContact O-N 3.4Å; T9-I12 PolarHBondContact O-N 3.36Å; I12-G14 VanDerWaalsContact C-N 3.31Å; I12-G14 PolarHBondContact O-N 3.26Å; I12-A15 PolarHBondContact O-N 2.96Å; I12-I16 HydrophobicContact CG2-CD1 3.83Å; I12-I16 WeakPolarHBondContact O-CG1 3.42Å; I12-I16 PolarHBondContact O-N 3.08Å; I12-I27 HydrophobicContact CD1-CG2 3.94Å; I12-I27 HydrophobicContact CG1-CB 4.15Å; I12-I27 HydrophobicContact CG1-CG2 3.63Å; I12-L28 HydrophobicContact CD1-CD2 3.88Å; I12-L28 HydrophobicContact CD1-CG 4.35Å; I12-L28 HydrophobicContact CG1-CD2 4.47Å; I12-L28 HydrophobicContact CG1-CG 4.49Å; I12-L28 HydrophobicContact CG2-CD1 4.29Å; I12-L28 HydrophobicContact CG2-CD2 4.16Å; I12-L28 HydrophobicContact CG2-CG 4.26Å; I12-L44 HydrophobicContact CG2-CD1 3.94Å
13Y94.3Very high89.1Confident130 Ų13081.3 Ų81.351%0.5142%0.423SS..Hα-helixtrans-68.4-31.7-179.8-79.9-82.3000112.3T9 K17 L44T9-Y13 HydrophobicContact CG2-CD2 3.66Å; T9-Y13 HydrophobicContact CG2-CE2 3.87Å; T9-Y13 WeakPolarHBondContact O-CB 3.28Å; T9-Y13 WeakPolarHBondContact O-CD2 3.44Å; T9-Y13 PolarHBondContact O-N 3.46Å; Y13-K17 WeakPolarHBondContact O-CB 3.3Å; Y13-K17 PolarHBondContact O-N 2.66Å; Y13-L44 HydrophobicContact CE1-CD2 4.27Å; Y13-L44 HydrophobicContact CE2-CD1 4.16Å
14G94.4Very high90Very high28 Ų2879.3 Ų79.329%0.28941%0.412SS..Hα-helixtrans-61.7-50.6171.100000111.5A10 A11 I12 I16 K17 D18A10-G14 WeakPolarHBondContact O-CA 3.4Å; A10-G14 PolarHBondContact O-N 3.29Å; A11-G14 PolarHBondContact O-N 3.25Å; I12-G14 VanDerWaalsContact C-N 3.31Å; I12-G14 PolarHBondContact O-N 3.26Å; G14-I16 PolarHBondContact O-N 3.42Å; G14-K17 PolarHBondContact O-N 2.88Å; G14-D18 WeakPolarHBondContact O-CB 3.34Å; G14-D18 VanDerWaalsContact O-CG 3.31Å; G14-D18 PolarHBondContact O-N 2.86Å
15A93.4Very high90.8Very high5 Ų573 Ų734%0.04139%0.386CS..Hα-helixtrans-60.4-44.2176.900000112.4A11 I12 D18 Q19 K20 E23 A24A11-A15 WeakPolarHBondContact O-CB 3.47Å; A11-A15 PolarHBondContact O-N 2.95Å; I12-A15 PolarHBondContact O-N 2.96Å; A15-D18 CarbonylContact O-C 3.6Å; A15-D18 PolarHBondContact O-N 3.33Å; A15-Q19 PolarHBondContact O-N 3.23Å; A15-K20 HydrophobicContact CB-CB 4.3Å; A15-K20 PolarHBondContact O-N 3.07Å; A15-E23 HydrophobicContact CB-CB 4.41Å; A15-E23 HydrophobicContact CB-CG 4.47Å; A15-A24 HydrophobicContact CB-CB 4.1Å
16I94.2Very high91.8Very high22 Ų2268.8 Ų68.811%0.11337%0.37CS..Hα-helixtrans-63.9-43.6177-70.6172000111.5I12 G14 D18 Q19 Y21 A24 L44 Y47I12-I16 HydrophobicContact CG2-CD1 3.83Å; I12-I16 WeakPolarHBondContact O-CG1 3.42Å; I12-I16 PolarHBondContact O-N 3.08Å; G14-I16 PolarHBondContact O-N 3.42Å; I16-D18 VanDerWaalsContact C-N 3.28Å; I16-D18 PolarHBondContact O-N 3.2Å; I16-Q19 WeakPolarHBondContact O-CA 3.27Å; I16-Q19 PolarHBondContact O-N 3.17Å; I16-Y21 HydrophobicContact CG2-CE1 4.35Å; I16-A24 HydrophobicContact CD1-CB 4.49Å; I16-A24 HydrophobicContact CG1-CB 3.85Å; I16-L44 HydrophobicContact CD1-CB 4.36Å; I16-L44 HydrophobicContact CD1-CD2 3.87Å; I16-Y47 HydrophobicContact CG2-CD1 4.43Å; I16-Y47 HydrophobicContact CG2-CE1 3.84Å
17K92.6Very high92.4Very high173 Ų17365.9 Ų65.975%0.75234%0.337SS*.Hα-helixtrans-61.9-39.2177.5-178.7-172.7173.6-168.50111.5Y13 G14 Q19Y13-K17 WeakPolarHBondContact O-CB 3.3Å; Y13-K17 PolarHBondContact O-N 2.66Å; G14-K17 PolarHBondContact O-N 2.88Å; K17-Q19 PolarHBondContact O-N 3.07Å
18D90.7Very high92.8Very high99 Ų9961.2 Ų61.253%0.52932%0.315SS..THydrogen-bonded Turntrans-82.57.7176.1-64-9.4000112.4G14 A15 I16 K20G14-D18 WeakPolarHBondContact O-CB 3.34Å; G14-D18 VanDerWaalsContact O-CG 3.31Å; G14-D18 PolarHBondContact O-N 2.86Å; A15-D18 CarbonylContact O-C 3.6Å; A15-D18 PolarHBondContact O-N 3.33Å; I16-D18 VanDerWaalsContact C-N 3.28Å; I16-D18 PolarHBondContact O-N 3.2Å; D18-K20 HydrophobicContact CB-CD 4.36Å; D18-K20 HydrophobicContact CB-CG 4.27Å; D18-K20 PolarHBondContact O-N 3.27Å; D18-K20 VanDerWaalsContact O-N 3.12Å
19Q89.3Confident93.1Very high101 Ų10162.4 Ų62.447%0.47232%0.324SS..THydrogen-bonded Turntrans58.221.2-179.9-52.4-178.917.100115.1A15 I16 K17 Y21A15-Q19 PolarHBondContact O-N 3.23Å; I16-Q19 WeakPolarHBondContact O-CA 3.27Å; I16-Q19 PolarHBondContact O-N 3.17Å; K17-Q19 PolarHBondContact O-N 3.07Å; Q19-Y21 HydrophobicContact CB-CE2 3.8Å; Q19-Y21 HydrophobicContact CG-CE2 4.42Å; Q19-Y21 WeakPolarHBondContact O-CD2 3.3Å; Q19-Y21 PolarHBondContact O-N 3.49Å
20K90.1Very high93.2Very high108 Ų10863.1 Ų63.147%0.4732%0.321SS..  trans-82.963174.1-62.7179.2-176.5168.30110.4A15 D18 K22 E23 A24A15-K20 HydrophobicContact CB-CB 4.3Å; A15-K20 PolarHBondContact O-N 3.07Å; D18-K20 HydrophobicContact CB-CD 4.36Å; D18-K20 HydrophobicContact CB-CG 4.27Å; D18-K20 PolarHBondContact O-N 3.27Å; D18-K20 VanDerWaalsContact O-N 3.12Å; K20-K22 VanDerWaalsContact C-N 3.35Å; K20-K22 PolarHBondContact O-N 3.45Å; K20-E23 HydrophobicContact CB-CB 4.13Å; K20-E23 WeakPolarHBondContact CD-OE2 3.4Å; K20-E23 WeakPolarHBondContact O-CB 3.3Å; K20-E23 PolarHBondContact O-N 2.87Å; K20-E23 VanDerWaalsContact O-N 3.12Å; K20-A24 PolarHBondContact O-N 3.38Å; K20-A24 VanDerWaalsContact O-N 3.12Å
21Y92.6Very high93.2Very high18 Ų1861.7 Ų61.77%0.07130%0.301CS..Hα-helixtrans-62-38-174.2-57.2-67.5000113I16 Q19 E23 A24 V25 Y47 C48 Q51I16-Y21 HydrophobicContact CG2-CE1 4.35Å; Q19-Y21 HydrophobicContact CB-CE2 3.8Å; Q19-Y21 HydrophobicContact CG-CE2 4.42Å; Q19-Y21 WeakPolarHBondContact O-CD2 3.3Å; Q19-Y21 PolarHBondContact O-N 3.49Å; Y21-E23 VanDerWaalsContact C-N 3.27Å; Y21-E23 PolarHBondContact O-N 3.48Å; Y21-A24 PolarHBondContact O-N 2.96Å; Y21-V25 WeakPolarHBondContact O-CB 3.4Å; Y21-V25 VanDerWaalsContact O-CG2 3.26Å; Y21-V25 WeakPolarHBondContact O-CG2 3.28Å; Y21-V25 PolarHBondContact O-N 2.89Å; Y21-Y47 AromaticContact CE1-CE1 3.93Å; Y21-Y47 HydrophobicContact CE1-CE1 3.93Å; Y21-C48 HydrophobicContact CD1-CB 4.34Å; Y21-Q51 HydrophobicContact CD1-CB 3.86Å; Y21-Q51 HydrophobicContact CD1-CG 4.24Å; Y21-Q51 HydrophobicContact CD2-CB 3.73Å; Y21-Q51 HydrophobicContact CE1-CB 3.72Å; Y21-Q51 HydrophobicContact CE1-CG 3.7Å; Y21-Q51 HydrophobicContact CE2-CB 3.59Å; Y21-Q51 HydrophobicContact CE2-CG 4.19Å; Y21-Q51 HydrophobicContact CG-CB 3.86Å
22K91.8Very high93.1Very high120 Ų12061.3 Ų61.352%0.52229%0.294SS..Hα-helixtrans-59-38.1175.4-68.2-172.9179.6179.70111.9K20 N26 L52 E267K20-K22 VanDerWaalsContact C-N 3.35Å; K20-K22 PolarHBondContact O-N 3.45Å; K22-N26 PolarHBondContact O-N 2.94Å; K22-N26 PolarHBondContact O-ND2 3.01Å; K22-L52 HydrophobicContact CG-CD1 4.12Å; K22-L52 HydrophobicContact CG-CD2 3.87Å; K22-E267 IonicContact NZ-OE1 2.74Å
23E92.7Very high93.1Very high98 Ų9867.7 Ų67.746%0.45833%0.328SS..Hα-helixtrans-68.4-45.1175.9-173.2178.3173.400111.2A15 K20 Y21 V25 N26 I27A15-E23 HydrophobicContact CB-CB 4.41Å; A15-E23 HydrophobicContact CB-CG 4.47Å; K20-E23 HydrophobicContact CB-CB 4.13Å; K20-E23 WeakPolarHBondContact CD-OE2 3.4Å; K20-E23 WeakPolarHBondContact O-CB 3.3Å; K20-E23 PolarHBondContact O-N 2.87Å; K20-E23 VanDerWaalsContact O-N 3.12Å; Y21-E23 VanDerWaalsContact C-N 3.27Å; Y21-E23 PolarHBondContact O-N 3.48Å; E23-V25 PolarHBondContact O-N 3.2Å; E23-N26 PolarHBondContact O-N 2.99Å; E23-I27 HydrophobicContact CG-CD1 4.34Å; E23-I27 WeakPolarHBondContact O-CG1 3.49Å; E23-I27 PolarHBondContact O-N 3.36Å
24A95Very high92.9Very high0 Ų066.2 Ų66.20%033%0.332CS..Hα-helixtrans-59.9-44.3175.900000112.1A15 I16 K20 Y21 N26 I27 L28A15-A24 HydrophobicContact CB-CB 4.1Å; I16-A24 HydrophobicContact CD1-CB 4.49Å; I16-A24 HydrophobicContact CG1-CB 3.85Å; K20-A24 PolarHBondContact O-N 3.38Å; K20-A24 VanDerWaalsContact O-N 3.12Å; Y21-A24 PolarHBondContact O-N 2.96Å; A24-N26 VanDerWaalsContact C-N 3.35Å; A24-N26 PolarHBondContact O-N 3.43Å; A24-I27 PolarHBondContact O-N 3.2Å; A24-L28 HydrophobicContact CB-CD1 4.42Å; A24-L28 WeakPolarHBondContact O-CB 3.47Å; A24-L28 WeakPolarHBondContact O-CD1 3.43Å; A24-L28 WeakPolarHBondContact O-CG 3.48Å; A24-L28 PolarHBondContact O-N 3.21Å
25V96.1Very high92.8Very high13 Ų1369.9 Ų69.98%0.07934%0.341CS..Hα-helixtrans-55.6-47.1175.9166.70000111.2Y21 E23 I27 L28 N29 L45 C48 F49 L52Y21-V25 WeakPolarHBondContact O-CB 3.4Å; Y21-V25 VanDerWaalsContact O-CG2 3.26Å; Y21-V25 WeakPolarHBondContact O-CG2 3.28Å; Y21-V25 PolarHBondContact O-N 2.89Å; E23-V25 PolarHBondContact O-N 3.2Å; V25-I27 VanDerWaalsContact C-N 3.33Å; V25-I27 PolarHBondContact O-N 3.48Å; V25-L28 PolarHBondContact O-N 3.47Å; V25-N29 WeakPolarHBondContact CG1-ND2 3.36Å; V25-N29 WeakPolarHBondContact O-CB 3.47Å; V25-N29 PolarHBondContact O-N 2.97Å; V25-N29 PolarHBondContact O-ND2 3Å; V25-L45 HydrophobicContact CB-CD1 4.17Å; V25-L45 HydrophobicContact CG1-CD1 4Å; V25-L45 HydrophobicContact CG2-CD1 3.98Å; V25-C48 HydrophobicContact CG2-CB 3.65Å; V25-F49 HydrophobicContact CG1-CE1 3.76Å; V25-F49 HydrophobicContact CG1-CZ 3.96Å; V25-F49 HydrophobicContact CG2-CD1 4.2Å; V25-F49 HydrophobicContact CG2-CE1 4.12Å; V25-L52 HydrophobicContact CG2-CD1 3.91Å
26N94.7Very high92.7Very high102 Ų10273.4 Ų73.455%0.54536%0.364SS..Hα-helixtrans-60.5-41.7179.7-74.4-28.4000112.5K22 E23 A24 Q30K22-N26 PolarHBondContact O-N 2.94Å; K22-N26 PolarHBondContact O-ND2 3.01Å; E23-N26 PolarHBondContact O-N 2.99Å; A24-N26 VanDerWaalsContact C-N 3.35Å; A24-N26 PolarHBondContact O-N 3.43Å; N26-Q30 WeakPolarHBondContact O-CG 3.42Å; N26-Q30 PolarHBondContact O-N 3.41Å
27I94Very high92.5Very high12 Ų1276.1 Ų76.16%0.06238%0.382CS..Hα-helixtrans-69.4-44.4178.3-58.6165.8000110.3I3 F8 A11 I12 E23 A24 V25 Q30 Q31I3-I27 HydrophobicContact CD1-CB 4.26Å; I3-I27 HydrophobicContact CD1-CD1 3.44Å; I3-I27 VanDerWaalsContact CD1-CD1 3.44Å; I3-I27 HydrophobicContact CD1-CG1 3.5Å; I3-I27 HydrophobicContact CD1-CG2 3.72Å; F8-I27 HydrophobicContact CD1-CG2 3.89Å; F8-I27 HydrophobicContact CE1-CG2 4.45Å; A11-I27 HydrophobicContact CB-CD1 4.21Å; I12-I27 HydrophobicContact CD1-CG2 3.94Å; I12-I27 HydrophobicContact CG1-CB 4.15Å; I12-I27 HydrophobicContact CG1-CG2 3.63Å; E23-I27 HydrophobicContact CG-CD1 4.34Å; E23-I27 WeakPolarHBondContact O-CG1 3.49Å; E23-I27 PolarHBondContact O-N 3.36Å; A24-I27 PolarHBondContact O-N 3.2Å; V25-I27 VanDerWaalsContact C-N 3.33Å; V25-I27 PolarHBondContact O-N 3.48Å; I27-Q30 WeakPolarHBondContact O-CB 3.26Å; I27-Q30 PolarHBondContact O-N 3.08Å; I27-Q31 WeakPolarHBondContact O-CG 3.34Å; I27-Q31 PolarHBondContact O-N 3.06Å; I27-Q31 VanDerWaalsContact O-N 3.14Å
28L95.5Very high92.6Very high1 Ų170.9 Ų70.91%0.00536%0.362CS..Hα-helixtrans-64.3-42.2-178.9-73.2163.8000112.1I12 A24 V25 Q30 Q31 L32 A41 L44 L45I12-L28 HydrophobicContact CD1-CD2 3.88Å; I12-L28 HydrophobicContact CD1-CG 4.35Å; I12-L28 HydrophobicContact CG1-CD2 4.47Å; I12-L28 HydrophobicContact CG1-CG 4.49Å; I12-L28 HydrophobicContact CG2-CD1 4.29Å; I12-L28 HydrophobicContact CG2-CD2 4.16Å; I12-L28 HydrophobicContact CG2-CG 4.26Å; A24-L28 HydrophobicContact CB-CD1 4.42Å; A24-L28 WeakPolarHBondContact O-CB 3.47Å; A24-L28 WeakPolarHBondContact O-CD1 3.43Å; A24-L28 WeakPolarHBondContact O-CG 3.48Å; A24-L28 PolarHBondContact O-N 3.21Å; V25-L28 PolarHBondContact O-N 3.47Å; L28-Q30 VanDerWaalsContact C-N 3.31Å; L28-Q30 PolarHBondContact O-N 3.19Å; L28-Q31 WeakPolarHBondContact O-CB 3.35Å; L28-Q31 PolarHBondContact O-N 3.32Å; L28-Q31 VanDerWaalsContact O-N 3.07Å; L28-L32 PolarHBondContact O-N 3.49Å; L28-A41 HydrophobicContact CD2-CB 4.18Å; L28-L44 HydrophobicContact CD1-CB 3.87Å; L28-L44 HydrophobicContact CD2-CB 3.94Å; L28-L44 HydrophobicContact CD2-CD1 4.44Å; L28-L45 HydrophobicContact CB-CB 4.26Å; L28-L45 HydrophobicContact CB-CD1 4Å; L28-L45 HydrophobicContact CD1-CB 4.18Å; L28-L45 HydrophobicContact CD1-CD1 4.38Å
29N95.1Very high92.8Very high67 Ų6771 Ų7136%0.35836%0.355SS..Hα-helixtrans-59.5-41174.3-80.6-28.2000111.8V25 Q31 L32 L33 L45V25-N29 WeakPolarHBondContact CG1-ND2 3.36Å; V25-N29 WeakPolarHBondContact O-CB 3.47Å; V25-N29 PolarHBondContact O-N 2.97Å; V25-N29 PolarHBondContact O-ND2 3Å; N29-Q31 VanDerWaalsContact C-N 3.3Å; N29-Q31 PolarHBondContact O-N 3.43Å; N29-L32 PolarHBondContact O-N 2.92Å; N29-L33 WeakPolarHBondContact O-CG 3.45Å; N29-L33 PolarHBondContact O-N 2.89Å; N29-L45 WeakPolarHBondContact OD1-CD2 3.33Å
30Q92.1Very high93Very high110 Ų11068.9 Ų68.951%0.51436%0.355SS..Hα-helixtrans-62.9-36.1174.5-69.9174.514.400112.5N26 I27 L28N26-Q30 WeakPolarHBondContact O-CG 3.42Å; N26-Q30 PolarHBondContact O-N 3.41Å; I27-Q30 WeakPolarHBondContact O-CB 3.26Å; I27-Q30 PolarHBondContact O-N 3.08Å; L28-Q30 VanDerWaalsContact C-N 3.31Å; L28-Q30 PolarHBondContact O-N 3.19Å
31Q90.8Very high93.3Very high46 Ų4664.1 Ų64.122%0.21534%0.336CS..Hα-helixtrans-69.6-39175.9-65.4-56-61.100112.2F8 I27 L28 N29 L33 V34 H35F8-Q31 VanDerWaalsContact CZ-NE2 3.3Å; I27-Q31 WeakPolarHBondContact O-CG 3.34Å; I27-Q31 PolarHBondContact O-N 3.06Å; I27-Q31 VanDerWaalsContact O-N 3.14Å; L28-Q31 WeakPolarHBondContact O-CB 3.35Å; L28-Q31 PolarHBondContact O-N 3.32Å; L28-Q31 VanDerWaalsContact O-N 3.07Å; N29-Q31 VanDerWaalsContact C-N 3.3Å; N29-Q31 PolarHBondContact O-N 3.43Å; Q31-L33 VanDerWaalsContact C-N 3.32Å; Q31-L33 PolarHBondContact O-N 3.34Å; Q31-V34 PolarHBondContact O-N 2.76Å; Q31-H35 PolarHBondContact O-N 3.37Å
32L92.8Very high93.5Very high21 Ų2163.3 Ų63.311%0.1133%0.333CS..Hα-helixtrans-70.1-26.3178.2-70.2174.7000113.1L28 N29 V34 H35 P36 N38 A41 L42 L45L28-L32 PolarHBondContact O-N 3.49Å; N29-L32 PolarHBondContact O-N 2.92Å; L32-V34 PolarHBondContact O-N 3.17Å; L32-H35 CarbonylContact O-C 3.53Å; L32-H35 PolarHBondContact O-N 3.03Å; L32-P36 WeakPolarHBondContact O-CA 3.37Å; L32-P36 WeakPolarHBondContact O-CD 3.36Å; L32-P36 WeakPolarHBondContact O-CG 3.44Å; L32-P36 VanDerWaalsContact O-N 3.1Å; L32-N38 HydrophobicContact CD2-CB 4.41Å; L32-A41 HydrophobicContact CD2-CB 3.65Å; L32-A41 HydrophobicContact CG-CB 3.98Å; L32-L42 HydrophobicContact CD1-CD2 3.88Å; L32-L42 HydrophobicContact CD2-CD2 3.94Å; L32-L42 HydrophobicContact CD2-CG 3.85Å; L32-L45 HydrophobicContact CD1-CD2 3.32Å
33L93Very high93.7Very high148 Ų14859.2 Ų59.278%0.77532%0.319SS*.Hα-helixtrans-60.1-33.4170.1-71.5175.1000112.5N29 Q31N29-L33 WeakPolarHBondContact O-CG 3.45Å; N29-L33 PolarHBondContact O-N 2.89Å; Q31-L33 VanDerWaalsContact C-N 3.32Å; Q31-L33 PolarHBondContact O-N 3.34Å
34V90.7Very high93.9Very high98 Ų9855.9 Ų55.959%0.59430%0.304SS*.Hα-helixtrans-89.1-37.5179.8-173.60000111.1Q31 L32Q31-V34 PolarHBondContact O-N 2.76Å; L32-V34 PolarHBondContact O-N 3.17Å
35H90.8Very high94.1Very high105 Ų10556.1 Ų56.149%0.48631%0.305SS..  trans-133.280.6-177.8-60.8-59.3000111.4Q31 L32 T37 N38Q31-H35 PolarHBondContact O-N 3.37Å; L32-H35 CarbonylContact O-C 3.53Å; L32-H35 PolarHBondContact O-N 3.03Å; H35-T37 VanDerWaalsContact C-N 3.28Å; H35-T37 PolarHBondContact O-N 3.24Å; H35-T37 VanDerWaalsContact O-N 3.16Å; H35-N38 HydrophobicContact CB-CB 3.99Å; H35-N38 VanDerWaalsContact O-CB 3.31Å; H35-N38 WeakPolarHBondContact O-CB 3.27Å; H35-N38 PolarHBondContact O-N 3.45Å; H35-N38 VanDerWaalsContact O-N 3.12Å
36P91.3Very high94.1Very high79 Ų7955.5 Ų55.551%0.51330%0.302SS..THydrogen-bonded Turntrans-59.4-32-170.3-27.535.2000115.3L32L32-P36 WeakPolarHBondContact O-CA 3.37Å; L32-P36 WeakPolarHBondContact O-CD 3.36Å; L32-P36 WeakPolarHBondContact O-CG 3.44Å; L32-P36 VanDerWaalsContact O-N 3.1Å
37T91.2Very high94.2Very high80 Ų8054.9 Ų54.949%0.49129%0.292SS..THydrogen-bonded Turntrans-102.121.5-177.265.20000112.6H35 R39 H68H35-T37 VanDerWaalsContact C-N 3.28Å; H35-T37 PolarHBondContact O-N 3.24Å; H35-T37 VanDerWaalsContact O-N 3.16Å; T37-R39 PolarHBondContact O-N 2.99Å; T37-R39 VanDerWaalsContact O-N 3.13Å; T37-H68 WeakPolarHBondContact CG2-NE2 3.43Å
38N94.2Very high94.3Very high62 Ų6254.3 Ų54.333%0.33229%0.289SS..  trans-68.6110.9179.4-177.1-48.8000110.5L32 H35 A40 A41 L42L32-N38 HydrophobicContact CD2-CB 4.41Å; H35-N38 HydrophobicContact CB-CB 3.99Å; H35-N38 VanDerWaalsContact O-CB 3.31Å; H35-N38 WeakPolarHBondContact O-CB 3.27Å; H35-N38 PolarHBondContact O-N 3.45Å; H35-N38 VanDerWaalsContact O-N 3.12Å; N38-A40 PolarHBondContact O-N 3.47Å; N38-A40 PolarHBondContact OD1-N 3.44Å; N38-A41 HydrophobicContact CB-CB 3.98Å; N38-A41 PolarHBondContact O-N 2.84Å; N38-A41 PolarHBondContact OD1-N 3Å; N38-L42 PolarHBondContact O-N 3.29Å
39R95.5Very high94.4Very high101 Ų10155.6 Ų55.638%0.38130%0.295SS..Hα-helixtrans-52.1-48.6-178.4-174.8177.7166.8174.2-2.2113.8T37 S43 L65 F69 Y75T37-R39 PolarHBondContact O-N 2.99Å; T37-R39 VanDerWaalsContact O-N 3.13Å; R39-S43 VanDerWaalsContact O-CB 3.24Å; R39-S43 WeakPolarHBondContact O-CB 3.41Å; R39-S43 PolarHBondContact O-N 2.95Å; R39-L65 HydrophobicContact CG-CD2 4.07Å; R39-F69 HydrophobicContact CB-CD2 4.27Å; R39-F69 HydrophobicContact CB-CE1 4.28Å; R39-F69 HydrophobicContact CB-CE2 3.6Å; R39-F69 HydrophobicContact CB-CZ 3.61Å; R39-F69 HydrophobicContact CG-CD2 4.02Å; R39-F69 HydrophobicContact CG-CE2 3.87Å; R39-F69 HydrophobicContact CG-CG 4.43Å; R39-F69 HydrophobicContact CG-CZ 4.15Å; R39-Y75 HydrophobicContact CG-CE2 4.43Å; R39-Y75 PolarHBondContact NE-OH 3.38Å; R39-Y75 PolarHBondContact NH2-OH 3.12Å
40A93.6Very high94.5Very high58 Ų5853.9 Ų53.948%0.47928%0.284SS..Hα-helixtrans-68.2-41.2-175.900000111N38 S43 L44N38-A40 PolarHBondContact O-N 3.47Å; N38-A40 PolarHBondContact OD1-N 3.44Å; A40-S43 PolarHBondContact O-N 3.44Å; A40-L44 WeakPolarHBondContact O-CB 3.25Å; A40-L44 VanDerWaalsContact O-CG 3.27Å; A40-L44 WeakPolarHBondContact O-CG 3.37Å; A40-L44 PolarHBondContact O-N 2.95Å
41A94.9Very high94.6Very high7 Ų750.4 Ų50.46%0.05827%0.267CS..Hα-helixtrans-65-47.9177.400000111.5L28 L32 N38 S43 L44 L45L28-A41 HydrophobicContact CD2-CB 4.18Å; L32-A41 HydrophobicContact CD2-CB 3.65Å; L32-A41 HydrophobicContact CG-CB 3.98Å; N38-A41 HydrophobicContact CB-CB 3.98Å; N38-A41 PolarHBondContact O-N 2.84Å; N38-A41 PolarHBondContact OD1-N 3Å; A41-S43 PolarHBondContact O-N 2.59Å; A41-L44 PolarHBondContact O-N 2.89Å; A41-L45 WeakPolarHBondContact O-CB 2.98Å; A41-L45 PolarHBondContact O-N 3.37Å
42L97.1Very high94.7Very high2 Ų249.9 Ų49.91%0.0127%0.266CS..Hα-helixtrans-60.2-43.5176.3-74.6172.5000112.2L32 N38 L45 G46 Q64 L65L32-L42 HydrophobicContact CD1-CD2 3.88Å; L32-L42 HydrophobicContact CD2-CD2 3.94Å; L32-L42 HydrophobicContact CD2-CG 3.85Å; N38-L42 PolarHBondContact O-N 3.29Å; L42-L45 PolarHBondContact O-N 3.36Å; L42-G46 PolarHBondContact O-N 2.91Å; L42-Q64 HydrophobicContact CD1-CB 4.13Å; L42-L65 HydrophobicContact CB-CD1 4.19Å; L42-L65 HydrophobicContact CB-CD2 3.79Å; L42-L65 HydrophobicContact CB-CG 3.87Å; L42-L65 HydrophobicContact CD1-CD2 4.3Å; L42-L65 HydrophobicContact CD1-CG 4.47Å
43S97.2Very high94.7Very high33 Ų3351.3 Ų51.323%0.23127%0.272CS..Hα-helixtrans-66.9-42.1-178.8-175.30000112.5R39 A40 A41 L45 Y47R39-S43 VanDerWaalsContact O-CB 3.24Å; R39-S43 WeakPolarHBondContact O-CB 3.41Å; R39-S43 PolarHBondContact O-N 2.95Å; A40-S43 PolarHBondContact O-N 3.44Å; A41-S43 PolarHBondContact O-N 2.59Å; S43-L45 VanDerWaalsContact C-N 3.34Å; S43-Y47 WeakPolarHBondContact O-CB 3.33Å; S43-Y47 PolarHBondContact O-N 3.14Å; S43-Y47 VanDerWaalsContact O-N 3.14Å
44L97.1Very high94.8Very high28 Ų2847.2 Ų47.215%0.14725%0.251CS..Hα-helixtrans-71-33.9176.1-68.3172.2000111.1I12 Y13 I16 L28 A40 A41 Y47 C48I12-L44 HydrophobicContact CG2-CD1 3.94Å; Y13-L44 HydrophobicContact CE1-CD2 4.27Å; Y13-L44 HydrophobicContact CE2-CD1 4.16Å; I16-L44 HydrophobicContact CD1-CB 4.36Å; I16-L44 HydrophobicContact CD1-CD2 3.87Å; L28-L44 HydrophobicContact CD1-CB 3.87Å; L28-L44 HydrophobicContact CD2-CB 3.94Å; L28-L44 HydrophobicContact CD2-CD1 4.44Å; A40-L44 WeakPolarHBondContact O-CB 3.25Å; A40-L44 VanDerWaalsContact O-CG 3.27Å; A40-L44 WeakPolarHBondContact O-CG 3.37Å; A40-L44 PolarHBondContact O-N 2.95Å; A41-L44 PolarHBondContact O-N 2.89Å; L44-Y47 PolarHBondContact O-N 3.38Å; L44-C48 WeakPolarHBondContact O-CB 3.38Å; L44-C48 PolarHBondContact O-N 3.45Å; L44-C48 PolarHBondContact O-SG 2.86Å
45L97.5Very high95Very high5 Ų543.7 Ų43.73%0.02623%0.228CC..Hα-helixtrans-68-48.2178.1-176.563.2000111.2V25 L28 N29 L32 A41 L42 S43 Y47 C48 F49V25-L45 HydrophobicContact CB-CD1 4.17Å; V25-L45 HydrophobicContact CG1-CD1 4Å; V25-L45 HydrophobicContact CG2-CD1 3.98Å; L28-L45 HydrophobicContact CB-CB 4.26Å; L28-L45 HydrophobicContact CB-CD1 4Å; L28-L45 HydrophobicContact CD1-CB 4.18Å; L28-L45 HydrophobicContact CD1-CD1 4.38Å; N29-L45 WeakPolarHBondContact OD1-CD2 3.33Å; L32-L45 HydrophobicContact CD1-CD2 3.32Å; A41-L45 WeakPolarHBondContact O-CB 2.98Å; A41-L45 PolarHBondContact O-N 3.37Å; L42-L45 PolarHBondContact O-N 3.36Å; S43-L45 VanDerWaalsContact C-N 3.34Å; L45-Y47 VanDerWaalsContact C-N 3.29Å; L45-Y47 PolarHBondContact O-N 2.93Å; L45-C48 PolarHBondContact O-N 3.46Å; L45-C48 VanDerWaalsContact O-N 3.1Å; L45-F49 HydrophobicContact CD1-CD2 3.96Å; L45-F49 HydrophobicContact CD1-CE2 3.49Å; L45-F49 VanDerWaalsContact CD1-CE2 3.49Å; L45-F49 HydrophobicContact CD1-CZ 3.79Å; L45-F49 HydrophobicContact CD2-CD2 4.48Å; L45-F49 HydrophobicContact CD2-CE2 3.74Å; L45-F49 HydrophobicContact CD2-CZ 4.46Å; L45-F49 HydrophobicContact CG-CD2 3.72Å; L45-F49 HydrophobicContact CG-CE2 3.37Å; L45-F49 HydrophobicContact CG-CZ 4.17Å; L45-F49 WeakPolarHBondContact O-CD2 3.43Å; L45-F49 PolarHBondContact O-N 3.29Å
46G97.1Very high95.3Very high0 Ų042.4 Ų42.40%023%0.227CC..Hα-helixtrans-57.5-41.7173.700000112.3L42 F49 Y50L42-G46 PolarHBondContact O-N 2.91Å; G46-F49 PolarHBondContact O-N 3.3Å; G46-Y50 WeakPolarHBondContact O-CB 3.47Å; G46-Y50 PolarHBondContact O-N 2.75Å
47Y96.8Very high95.6Very high90 Ų9040.2 Ų40.235%0.35321%0.213SC..Hα-helixtrans-61.6-45.9173.2175.7-98.5000112.2I16 Y21 S43 L44 L45 Y50 Q51 Y62I16-Y47 HydrophobicContact CG2-CD1 4.43Å; I16-Y47 HydrophobicContact CG2-CE1 3.84Å; Y21-Y47 AromaticContact CE1-CE1 3.93Å; Y21-Y47 HydrophobicContact CE1-CE1 3.93Å; S43-Y47 WeakPolarHBondContact O-CB 3.33Å; S43-Y47 PolarHBondContact O-N 3.14Å; S43-Y47 VanDerWaalsContact O-N 3.14Å; L44-Y47 PolarHBondContact O-N 3.38Å; L45-Y47 VanDerWaalsContact C-N 3.29Å; L45-Y47 PolarHBondContact O-N 2.93Å; Y47-Y50 PolarHBondContact O-N 3.48Å; Y47-Q51 HydrophobicContact CD1-CG 4.33Å; Y47-Q51 HydrophobicContact CE1-CG 3.91Å; Y47-Q51 HydrophobicContact CE2-CG 4.09Å; Y47-Q51 VanDerWaalsContact O-CG 3.31Å; Y47-Q51 WeakPolarHBondContact O-CG 3.35Å; Y47-Q51 PolarHBondContact O-N 3.15Å; Y47-Y62 PolarHBondContact N-OH 2.93Å
48C96.8Very high95.9Very high0 Ų036.4 Ų36.40%019%0.19CC..Hα-helixtrans-64.8-42.9179.1-66.70000112.1Y21 V25 L44 L45 Y50 Q51 L52Y21-C48 HydrophobicContact CD1-CB 4.34Å; V25-C48 HydrophobicContact CG2-CB 3.65Å; L44-C48 WeakPolarHBondContact O-CB 3.38Å; L44-C48 PolarHBondContact O-N 3.45Å; L44-C48 PolarHBondContact O-SG 2.86Å; L45-C48 PolarHBondContact O-N 3.46Å; L45-C48 VanDerWaalsContact O-N 3.1Å; C48-Y50 VanDerWaalsContact C-N 3.32Å; C48-Y50 PolarHBondContact O-N 2.85Å; C48-Q51 PolarHBondContact O-N 3.02Å; C48-L52 WeakPolarHBondContact O-CG 3.44Å; C48-L52 PolarHBondContact O-N 2.84Å
49F97.1Very high96.1Very high27 Ų2733.6 Ų33.612%0.11818%0.175CC..Hα-helixtrans-61.4-42175.1-76.4-47.2000111.7V25 L45 G46 Q51 L52 Q53 D54 A58V25-F49 HydrophobicContact CG1-CE1 3.76Å; V25-F49 HydrophobicContact CG1-CZ 3.96Å; V25-F49 HydrophobicContact CG2-CD1 4.2Å; V25-F49 HydrophobicContact CG2-CE1 4.12Å; L45-F49 HydrophobicContact CD1-CD2 3.96Å; L45-F49 HydrophobicContact CD1-CE2 3.49Å; L45-F49 VanDerWaalsContact CD1-CE2 3.49Å; L45-F49 HydrophobicContact CD1-CZ 3.79Å; L45-F49 HydrophobicContact CD2-CD2 4.48Å; L45-F49 HydrophobicContact CD2-CE2 3.74Å; L45-F49 HydrophobicContact CD2-CZ 4.46Å; L45-F49 HydrophobicContact CG-CD2 3.72Å; L45-F49 HydrophobicContact CG-CE2 3.37Å; L45-F49 HydrophobicContact CG-CZ 4.17Å; L45-F49 WeakPolarHBondContact O-CD2 3.43Å; L45-F49 PolarHBondContact O-N 3.29Å; G46-F49 PolarHBondContact O-N 3.3Å; F49-Q51 VanDerWaalsContact C-N 3.33Å; F49-Q51 PolarHBondContact O-N 3.28Å; F49-L52 CarbonylContact O-C 3.55Å; F49-L52 WeakPolarHBondContact O-CA 3.47Å; F49-L52 PolarHBondContact O-N 3.36Å; F49-L52 VanDerWaalsContact O-N 3.09Å; F49-Q53 PolarHBondContact O-N 3.32Å; F49-Q53 VanDerWaalsContact O-N 3.12Å; F49-D54 HydrophobicContact CB-CB 4.32Å; F49-D54 HydrophobicContact CD1-CB 4.13Å; F49-D54 PolarHBondContact O-N 3.35Å; F49-A58 HydrophobicContact CB-CB 3.85Å
50Y96.2Very high96.2Very high32 Ų3232.5 Ų32.513%0.12518%0.177CC..Hα-helixtrans-60.5-41.9175.1-168.4-81.3000112G46 Y47 C48 L52 Q53 F55 Q81 K85G46-Y50 WeakPolarHBondContact O-CB 3.47Å; G46-Y50 PolarHBondContact O-N 2.75Å; Y47-Y50 PolarHBondContact O-N 3.48Å; C48-Y50 VanDerWaalsContact C-N 3.32Å; C48-Y50 PolarHBondContact O-N 2.85Å; Y50-L52 PolarHBondContact O-N 3.19Å; Y50-Q53 PolarHBondContact O-N 3.21Å; Y50-F55 HydrophobicContact CD1-CE1 4.47Å; Y50-F55 AromaticContact CD2-CD1 3.87Å; Y50-F55 HydrophobicContact CD2-CD1 3.87Å; Y50-F55 AromaticContact CD2-CE1 3.99Å; Y50-F55 HydrophobicContact CD2-CE1 3.99Å; Y50-F55 HydrophobicContact CE1-CE1 4.38Å; Y50-F55 AromaticContact CE2-CD1 3.98Å; Y50-F55 HydrophobicContact CE2-CD1 3.98Å; Y50-F55 AromaticContact CE2-CE1 3.89Å; Y50-F55 HydrophobicContact CE2-CE1 3.89Å; Y50-F55 HydrophobicContact CG-CD1 4.44Å; Y50-F55 HydrophobicContact CG-CE1 4.28Å; Y50-Q81 HydrophobicContact CE2-CG 4.29Å; Y50-K85 HydrophobicContact CE2-CG 4.36Å
51Q94.6Very high96.4Very high36 Ų3630 Ų3017%0.16816%0.156CC..Hα-helixtrans-69.4-21.8176.7-65.8-61.4-31.300113.8Y21 Y47 C48 F49 Q53 M226Y21-Q51 HydrophobicContact CD1-CB 3.86Å; Y21-Q51 HydrophobicContact CD1-CG 4.24Å; Y21-Q51 HydrophobicContact CD2-CB 3.73Å; Y21-Q51 HydrophobicContact CE1-CB 3.72Å; Y21-Q51 HydrophobicContact CE1-CG 3.7Å; Y21-Q51 HydrophobicContact CE2-CB 3.59Å; Y21-Q51 HydrophobicContact CE2-CG 4.19Å; Y21-Q51 HydrophobicContact CG-CB 3.86Å; Y47-Q51 HydrophobicContact CD1-CG 4.33Å; Y47-Q51 HydrophobicContact CE1-CG 3.91Å; Y47-Q51 HydrophobicContact CE2-CG 4.09Å; Y47-Q51 VanDerWaalsContact O-CG 3.31Å; Y47-Q51 WeakPolarHBondContact O-CG 3.35Å; Y47-Q51 PolarHBondContact O-N 3.15Å; C48-Q51 PolarHBondContact O-N 3.02Å; F49-Q51 VanDerWaalsContact C-N 3.33Å; F49-Q51 PolarHBondContact O-N 3.28Å; Q51-Q53 VanDerWaalsContact C-N 3.32Å; Q51-M226 WeakPolarHBondContact O-CG 3.47Å; Q51-M226 PolarHBondContact O-N 3.44Å; Q51-M226 VanDerWaalsContact O-N 3.1Å
52L92.4Very high96.5Very high36 Ų3630.3 Ų30.319%0.18816%0.156CC..THydrogen-bonded Turntrans-88.72.9171.7-69.1170.7000113K22 V25 C48 F49 Y50 D54K22-L52 HydrophobicContact CG-CD1 4.12Å; K22-L52 HydrophobicContact CG-CD2 3.87Å; V25-L52 HydrophobicContact CG2-CD1 3.91Å; C48-L52 WeakPolarHBondContact O-CG 3.44Å; C48-L52 PolarHBondContact O-N 2.84Å; F49-L52 CarbonylContact O-C 3.55Å; F49-L52 WeakPolarHBondContact O-CA 3.47Å; F49-L52 PolarHBondContact O-N 3.36Å; F49-L52 VanDerWaalsContact O-N 3.09Å; Y50-L52 PolarHBondContact O-N 3.19Å; L52-D54 PolarHBondContact O-N 2.94Å; L52-D54 VanDerWaalsContact O-N 3.15Å
53Q94.1Very high96.6Very high51 Ų5134 Ų3424%0.23817%0.173CC..THydrogen-bonded Turntrans59.116.3-173.7-58.2-174.676.700114.8F49 Y50 Q51 F55 N224 T225 M226F49-Q53 PolarHBondContact O-N 3.32Å; F49-Q53 VanDerWaalsContact O-N 3.12Å; Y50-Q53 PolarHBondContact O-N 3.21Å; Q51-Q53 VanDerWaalsContact C-N 3.32Å; Q53-F55 HydrophobicContact CB-CE2 3.83Å; Q53-F55 HydrophobicContact CB-CZ 3.8Å; Q53-F55 HydrophobicContact CG-CE2 4.29Å; Q53-F55 HydrophobicContact CG-CZ 3.87Å; Q53-F55 VanDerWaalsContact O-CD2 3.27Å; Q53-F55 WeakPolarHBondContact O-CD2 3.49Å; Q53-F55 PolarHBondContact O-N 2.69Å; Q53-N224 PolarHBondContact NE2-O 3.38Å; Q53-T225 PolarHBondContact NE2-O 2.94Å; Q53-T225 VanDerWaalsContact NE2-O 3.16Å; Q53-M226 HydrophobicContact CG-CG 4.38Å; Q53-M226 HydrophobicContact CG-SD 3.75Å
54D94.1Very high96.6Very high61 Ų6135.8 Ų35.833%0.32618%0.178SC..  trans-81.574169.4-174.5-7.8000109F49 L52 V56 S57 A58F49-D54 HydrophobicContact CB-CB 4.32Å; F49-D54 HydrophobicContact CD1-CB 4.13Å; F49-D54 PolarHBondContact O-N 3.35Å; L52-D54 PolarHBondContact O-N 2.94Å; L52-D54 VanDerWaalsContact O-N 3.15Å; D54-V56 VanDerWaalsContact C-N 3.29Å; D54-V56 PolarHBondContact O-N 3.17Å; D54-S57 PolarHBondContact O-N 2.85Å; D54-S57 VanDerWaalsContact OD1-CB 3.3Å; D54-S57 WeakPolarHBondContact OD1-CB 3.43Å; D54-S57 PolarHBondContact OD1-N 3.42Å; D54-S57 PolarHBondContact OD1-OG 3.4Å; D54-S57 WeakPolarHBondContact OD2-CB 3.28Å; D54-S57 PolarHBondContact OD2-OG 3.06Å; D54-A58 WeakPolarHBondContact O-CB 3.12Å; D54-A58 PolarHBondContact O-N 2.91Å
55F96.3Very high96.6Very high25 Ų2534.4 Ų34.411%0.1117%0.171CC..Hα-helixtrans-70.2-26.7-172.3-58.8-59.1000113.2Y50 Q53 S59 K85 A86Y50-F55 HydrophobicContact CD1-CE1 4.47Å; Y50-F55 AromaticContact CD2-CD1 3.87Å; Y50-F55 HydrophobicContact CD2-CD1 3.87Å; Y50-F55 AromaticContact CD2-CE1 3.99Å; Y50-F55 HydrophobicContact CD2-CE1 3.99Å; Y50-F55 HydrophobicContact CE1-CE1 4.38Å; Y50-F55 AromaticContact CE2-CD1 3.98Å; Y50-F55 HydrophobicContact CE2-CD1 3.98Å; Y50-F55 AromaticContact CE2-CE1 3.89Å; Y50-F55 HydrophobicContact CE2-CE1 3.89Å; Y50-F55 HydrophobicContact CG-CD1 4.44Å; Y50-F55 HydrophobicContact CG-CE1 4.28Å; Q53-F55 HydrophobicContact CB-CE2 3.83Å; Q53-F55 HydrophobicContact CB-CZ 3.8Å; Q53-F55 HydrophobicContact CG-CE2 4.29Å; Q53-F55 HydrophobicContact CG-CZ 3.87Å; Q53-F55 VanDerWaalsContact O-CD2 3.27Å; Q53-F55 WeakPolarHBondContact O-CD2 3.49Å; Q53-F55 PolarHBondContact O-N 2.69Å; F55-S59 VanDerWaalsContact O-CB 3.3Å; F55-S59 WeakPolarHBondContact O-CB 3.26Å; F55-S59 PolarHBondContact O-N 3.41Å; F55-S59 PolarHBondContact O-OG 3.19Å; F55-K85 HydrophobicContact CB-CB 4.09Å; F55-K85 HydrophobicContact CD1-CB 3.53Å; F55-K85 HydrophobicContact CD1-CG 4.25Å; F55-K85 HydrophobicContact CD2-CB 3.69Å; F55-K85 WeakPolarHBondContact CD2-O 3.26Å; F55-K85 HydrophobicContact CE1-CB 3.8Å; F55-K85 HydrophobicContact CE1-CD 4.43Å; F55-K85 HydrophobicContact CE1-CG 4.09Å; F55-K85 HydrophobicContact CE2-CB 3.94Å; F55-K85 HydrophobicContact CE2-CD 4.49Å; F55-K85 HydrophobicContact CG-CB 3.48Å; F55-K85 VanDerWaalsContact CG-CB 3.48Å; F55-K85 HydrophobicContact CZ-CB 3.99Å; F55-K85 HydrophobicContact CZ-CD 4.17Å; F55-K85 HydrophobicContact CZ-CG 4.29Å; F55-A86 HydrophobicContact CB-CB 3.8Å
56V96.4Very high96.5Very high77 Ų7735.1 Ų35.147%0.46718%0.175SC..Hα-helixtrans-67.1-54.8174.81780000109.2D54 A58 S59 D60 A86D54-V56 VanDerWaalsContact C-N 3.29Å; D54-V56 PolarHBondContact O-N 3.17Å; V56-A58 VanDerWaalsContact C-N 3.26Å; V56-A58 PolarHBondContact O-N 3.16Å; V56-S59 WeakPolarHBondContact O-CA 3.29Å; V56-S59 WeakPolarHBondContact O-CB 3.27Å; V56-S59 PolarHBondContact O-N 2.87Å; V56-S59 PolarHBondContact O-OG 3.31Å; V56-D60 PolarHBondContact O-N 2.97Å; V56-A86 HydrophobicContact CG2-CB 4.02Å
57S97.1Very high96.5Very high33 Ų3340.9 Ų40.923%0.23120%0.202CC..Hα-helixtrans-63-33.8177.3-58.40000112.4D54 D60 C61D54-S57 PolarHBondContact O-N 2.85Å; D54-S57 VanDerWaalsContact OD1-CB 3.3Å; D54-S57 WeakPolarHBondContact OD1-CB 3.43Å; D54-S57 PolarHBondContact OD1-N 3.42Å; D54-S57 PolarHBondContact OD1-OG 3.4Å; D54-S57 WeakPolarHBondContact OD2-CB 3.28Å; D54-S57 PolarHBondContact OD2-OG 3.06Å; S57-D60 PolarHBondContact O-N 2.86Å; S57-C61 PolarHBondContact O-N 3.29Å; S57-C61 PolarHBondContact O-SG 3.31Å
58A97.9Very high96.4Very high0 Ų040.7 Ų40.70%020%0.204CC..Hα-helixtrans-62.4-44.6171.900000111.3F49 D54 V56 D60 C61 Y62F49-A58 HydrophobicContact CB-CB 3.85Å; D54-A58 WeakPolarHBondContact O-CB 3.12Å; D54-A58 PolarHBondContact O-N 2.91Å; V56-A58 VanDerWaalsContact C-N 3.26Å; V56-A58 PolarHBondContact O-N 3.16Å; A58-D60 VanDerWaalsContact C-N 3.34Å; A58-D60 PolarHBondContact O-N 2.98Å; A58-C61 WeakPolarHBondContact O-CB 3.36Å; A58-C61 PolarHBondContact O-N 3.49Å; A58-Y62 HydrophobicContact CB-CE2 4.44Å; A58-Y62 WeakPolarHBondContact O-CD2 3.27Å; A58-Y62 PolarHBondContact O-N 3.46Å
59S98Very high96.3Very high4 Ų442.9 Ų42.93%0.02821%0.214CC..Hα-helixtrans-62.7-39.1178.277.30000112.2F55 V56 C61 Y62 E63 F79F55-S59 VanDerWaalsContact O-CB 3.3Å; F55-S59 WeakPolarHBondContact O-CB 3.26Å; F55-S59 PolarHBondContact O-N 3.41Å; F55-S59 PolarHBondContact O-OG 3.19Å; V56-S59 WeakPolarHBondContact O-CA 3.29Å; V56-S59 WeakPolarHBondContact O-CB 3.27Å; V56-S59 PolarHBondContact O-N 2.87Å; V56-S59 PolarHBondContact O-OG 3.31Å; S59-C61 VanDerWaalsContact C-N 3.34Å; S59-C61 PolarHBondContact O-N 3Å; S59-Y62 PolarHBondContact O-N 3.14Å; S59-E63 WeakPolarHBondContact O-CB 3.08Å; S59-E63 PolarHBondContact O-N 2.91Å; S59-F79 VanDerWaalsContact O-CD2 3.31Å; S59-F79 WeakPolarHBondContact O-CD2 3.3Å; S59-F79 WeakPolarHBondContact O-CE2 3.35Å
60D97.6Very high96.2Very high77 Ų7745 Ų4541%0.41223%0.23SC..Hα-helixtrans-63-39.8175.9-67.9-15000112V56 S57 A58 Q64V56-D60 PolarHBondContact O-N 2.97Å; S57-D60 PolarHBondContact O-N 2.86Å; A58-D60 VanDerWaalsContact C-N 3.34Å; A58-D60 PolarHBondContact O-N 2.98Å; D60-Q64 WeakPolarHBondContact O-CG 3.46Å; D60-Q64 PolarHBondContact O-N 3.39Å
61C97.8Very high96Very high7 Ų749.3 Ų49.35%0.04725%0.252CS..Hα-helixtrans-64.8-45.5176-67.60000111.3S57 A58 S59 L65S57-C61 PolarHBondContact O-N 3.29Å; S57-C61 PolarHBondContact O-SG 3.31Å; A58-C61 WeakPolarHBondContact O-CB 3.36Å; A58-C61 PolarHBondContact O-N 3.49Å; S59-C61 VanDerWaalsContact C-N 3.34Å; S59-C61 PolarHBondContact O-N 3Å; C61-L65 WeakPolarHBondContact O-CG 3.41Å; C61-L65 PolarHBondContact O-N 3.25Å; C61-L65 VanDerWaalsContact O-N 3.14Å
62Y98.3Very high96Very high12 Ų1248.5 Ų48.55%0.04725%0.249CC..Hα-helixtrans-71.5-32.2179.3-69.1-60.5000112.4Y47 A58 S59 L65 T66 Y75 Y78 S82Y47-Y62 PolarHBondContact N-OH 2.93Å; A58-Y62 HydrophobicContact CB-CE2 4.44Å; A58-Y62 WeakPolarHBondContact O-CD2 3.27Å; A58-Y62 PolarHBondContact O-N 3.46Å; S59-Y62 PolarHBondContact O-N 3.14Å; Y62-L65 HydrophobicContact CD1-CD1 3.83Å; Y62-L65 HydrophobicContact CE1-CD1 4.27Å; Y62-L65 WeakPolarHBondContact O-CB 3.41Å; Y62-L65 PolarHBondContact O-N 3.4Å; Y62-T66 VanDerWaalsContact O-CG2 3.29Å; Y62-T66 WeakPolarHBondContact O-CG2 3.4Å; Y62-T66 PolarHBondContact O-N 3.31Å; Y62-Y75 HydrophobicContact CD1-CD1 4.49Å; Y62-Y78 AromaticContact CE1-CD2 3.95Å; Y62-Y78 HydrophobicContact CE1-CD2 3.95Å; Y62-Y78 HydrophobicContact CE1-CG 4.1Å; Y62-S82 WeakPolarHBondContact CD2-OG 3.49Å
63E97.8Very high96.1Very high81 Ų8148.7 Ų48.738%0.37925%0.249SC..Hα-helixtrans-58.2-52.3172.7-169.3-178.7-158.400110.4S59 L65 T66 Q67 F79S59-E63 WeakPolarHBondContact O-CB 3.08Å; S59-E63 PolarHBondContact O-N 2.91Å; E63-L65 VanDerWaalsContact C-N 3.27Å; E63-L65 PolarHBondContact O-N 2.85Å; E63-T66 PolarHBondContact O-N 3.05Å; E63-T66 PolarHBondContact O-OG1 2.7Å; E63-Q67 WeakPolarHBondContact O-CG 3.43Å; E63-Q67 PolarHBondContact O-N 2.75Å; E63-F79 HydrophobicContact CB-CD2 4.09Å; E63-F79 HydrophobicContact CB-CE2 3.57Å; E63-F79 HydrophobicContact CB-CZ 3.8Å; E63-F79 HydrophobicContact CG-CE1 4.32Å; E63-F79 HydrophobicContact CG-CE2 4.07Å; E63-F79 HydrophobicContact CG-CZ 3.74Å
64Q97.3Very high96.1Very high69 Ų6951.4 Ų51.432%0.32226%0.262SS..Hα-helixtrans-57.7-41176.8-72.2178.86100112.1L42 D60 T66 Q67 H68L42-Q64 HydrophobicContact CD1-CB 4.13Å; D60-Q64 WeakPolarHBondContact O-CG 3.46Å; D60-Q64 PolarHBondContact O-N 3.39Å; Q64-T66 VanDerWaalsContact C-N 3.35Å; Q64-T66 PolarHBondContact O-N 3.02Å; Q64-Q67 PolarHBondContact O-N 2.97Å; Q64-H68 WeakPolarHBondContact O-CB 3.41Å; Q64-H68 PolarHBondContact O-CD2 3.2Å; Q64-H68 PolarHBondContact O-N 3.48Å
65L97.6Very high96.2Very high0 Ų049.3 Ų49.30%025%0.25CC..Hα-helixtrans-62.6-40.4176-74.7167000112.2R39 L42 C61 Y62 E63 Q67 F69 Y75R39-L65 HydrophobicContact CG-CD2 4.07Å; L42-L65 HydrophobicContact CB-CD1 4.19Å; L42-L65 HydrophobicContact CB-CD2 3.79Å; L42-L65 HydrophobicContact CB-CG 3.87Å; L42-L65 HydrophobicContact CD1-CD2 4.3Å; L42-L65 HydrophobicContact CD1-CG 4.47Å; C61-L65 WeakPolarHBondContact O-CG 3.41Å; C61-L65 PolarHBondContact O-N 3.25Å; C61-L65 VanDerWaalsContact O-N 3.14Å; Y62-L65 HydrophobicContact CD1-CD1 3.83Å; Y62-L65 HydrophobicContact CE1-CD1 4.27Å; Y62-L65 WeakPolarHBondContact O-CB 3.41Å; Y62-L65 PolarHBondContact O-N 3.4Å; E63-L65 VanDerWaalsContact C-N 3.27Å; E63-L65 PolarHBondContact O-N 2.85Å; L65-Q67 VanDerWaalsContact C-N 3.34Å; L65-F69 HydrophobicContact CD2-CD2 3.95Å; L65-F69 HydrophobicContact CD2-CE2 4.26Å; L65-F69 CarbonylContact O-C 3.52Å; L65-F69 WeakPolarHBondContact O-CA 3.46Å; L65-F69 WeakPolarHBondContact O-CB 3.33Å; L65-F69 PolarHBondContact O-N 3.12Å; L65-Y75 HydrophobicContact CB-CD1 4.48Å; L65-Y75 HydrophobicContact CB-CD2 3.74Å; L65-Y75 HydrophobicContact CB-CE2 4.3Å; L65-Y75 HydrophobicContact CB-CG 3.85Å; L65-Y75 HydrophobicContact CD1-CD1 4.11Å; L65-Y75 HydrophobicContact CD1-CE1 4.21Å; L65-Y75 HydrophobicContact CD1-CG 4.32Å; L65-Y75 HydrophobicContact CD2-CD2 4.3Å; L65-Y75 HydrophobicContact CD2-CE2 3.99Å; L65-Y75 HydrophobicContact CG-CD2 4.43Å
66T96.4Very high96.3Very high20 Ų2049.8 Ų49.812%0.12325%0.251CS..Hα-helixtrans-69.3-31.1176.864.10000113Y62 E63 Q64 P70 K76 F79Y62-T66 VanDerWaalsContact O-CG2 3.29Å; Y62-T66 WeakPolarHBondContact O-CG2 3.4Å; Y62-T66 PolarHBondContact O-N 3.31Å; E63-T66 PolarHBondContact O-N 3.05Å; E63-T66 PolarHBondContact O-OG1 2.7Å; Q64-T66 VanDerWaalsContact C-N 3.35Å; Q64-T66 PolarHBondContact O-N 3.02Å; T66-P70 WeakPolarHBondContact O-CA 3.43Å; T66-P70 WeakPolarHBondContact O-CB 3.38Å; T66-K76 HydrophobicContact CG2-CB 4.25Å; T66-K76 HydrophobicContact CG2-CG 3.8Å; T66-F79 HydrophobicContact CG2-CB 4.19Å; T66-F79 HydrophobicContact CG2-CD1 4.47Å
67Q95.8Very high96.3Very high120 Ų12046.8 Ų46.856%0.56123%0.232SC*.Hα-helixtrans-73.8-41176.3-68.2178.210.100112.2E63 Q64 L65E63-Q67 WeakPolarHBondContact O-CG 3.43Å; E63-Q67 PolarHBondContact O-N 2.75Å; Q64-Q67 PolarHBondContact O-N 2.97Å; L65-Q67 VanDerWaalsContact C-N 3.34Å
68H95.2Very high96.3Very high86 Ų8649.3 Ų49.340%0.39824%0.237SC..Hα-helixtrans-87.4-28.2-176.8-68.3-51.8000114.1T37 Q64 P70T37-H68 WeakPolarHBondContact CG2-NE2 3.43Å; Q64-H68 WeakPolarHBondContact O-CB 3.41Å; Q64-H68 PolarHBondContact O-CD2 3.2Å; Q64-H68 PolarHBondContact O-N 3.48Å; H68-P70 VanDerWaalsContact C-CD 3.46Å
69F95.6Very high96.3Very high46 Ų4650.6 Ų50.620%0.20224%0.243CC..  trans-132.560.1-176.6-51.4-76.7000110.7R39 L65 E71 V72 Y75R39-F69 HydrophobicContact CB-CD2 4.27Å; R39-F69 HydrophobicContact CB-CE1 4.28Å; R39-F69 HydrophobicContact CB-CE2 3.6Å; R39-F69 HydrophobicContact CB-CZ 3.61Å; R39-F69 HydrophobicContact CG-CD2 4.02Å; R39-F69 HydrophobicContact CG-CE2 3.87Å; R39-F69 HydrophobicContact CG-CG 4.43Å; R39-F69 HydrophobicContact CG-CZ 4.15Å; L65-F69 HydrophobicContact CD2-CD2 3.95Å; L65-F69 HydrophobicContact CD2-CE2 4.26Å; L65-F69 CarbonylContact O-C 3.52Å; L65-F69 WeakPolarHBondContact O-CA 3.46Å; L65-F69 WeakPolarHBondContact O-CB 3.33Å; L65-F69 PolarHBondContact O-N 3.12Å; F69-E71 VanDerWaalsContact CA-OE2 3.28Å; F69-E71 WeakPolarHBondContact CA-OE2 3.38Å; F69-E71 PolarHBondContact O-N 3.34Å; F69-E71 VanDerWaalsContact O-N 3.09Å; F69-V72 HydrophobicContact CB-CG2 4.22Å; F69-V72 PolarHBondContact O-N 3.49Å; F69-V72 VanDerWaalsContact O-N 3.12Å; F69-Y75 HydrophobicContact CB-CD2 4.32Å; F69-Y75 HydrophobicContact CB-CE2 4.26Å
70P93.6Very high96.4Very high71 Ų7150.4 Ų50.446%0.46124%0.241SC..THydrogen-bonded Turntrans-64.1-15.2-174.128.2-36.9000114.1T66 H68 V72 K76T66-P70 WeakPolarHBondContact O-CA 3.43Å; T66-P70 WeakPolarHBondContact O-CB 3.38Å; H68-P70 VanDerWaalsContact C-CD 3.46Å; P70-V72 VanDerWaalsContact C-N 3.27Å; P70-V72 PolarHBondContact O-N 2.82Å; P70-K76 VanDerWaalsContact O-CE 3.25Å; P70-K76 WeakPolarHBondContact O-CE 3.41Å; P70-K76 PolarHBondContact O-NZ 3.23Å
71E93.5Very high96.4Very high123 Ų12349.1 Ų49.158%0.57523%0.233SC*.THydrogen-bonded Turntrans-73.2-14.917674.9-72.7173.100114F69 E73F69-E71 VanDerWaalsContact CA-OE2 3.28Å; F69-E71 WeakPolarHBondContact CA-OE2 3.38Å; F69-E71 PolarHBondContact O-N 3.34Å; F69-E71 VanDerWaalsContact O-N 3.09Å; E71-E73 PolarHBondContact O-N 3.19Å
72V94.2Very high96.4Very high20 Ų2048.8 Ų48.812%0.12123%0.231CC..  trans-9793.4-176.8-173.50000109.9F69 P70 E74 Y75F69-V72 HydrophobicContact CB-CG2 4.22Å; F69-V72 PolarHBondContact O-N 3.49Å; F69-V72 VanDerWaalsContact O-N 3.12Å; P70-V72 VanDerWaalsContact C-N 3.27Å; P70-V72 PolarHBondContact O-N 2.82Å; V72-E74 HydrophobicContact CG1-CB 4.24Å; V72-E74 PolarHBondContact O-N 3.02Å; V72-Y75 HydrophobicContact CB-CD2 3.48Å; V72-Y75 VanDerWaalsContact CB-CD2 3.48Å; V72-Y75 HydrophobicContact CB-CE2 3.69Å; V72-Y75 HydrophobicContact CB-CG 4.15Å; V72-Y75 HydrophobicContact CG1-CD1 4.2Å; V72-Y75 HydrophobicContact CG1-CD2 3.56Å; V72-Y75 HydrophobicContact CG1-CE1 4.22Å; V72-Y75 HydrophobicContact CG1-CE2 3.58Å; V72-Y75 HydrophobicContact CG1-CG 3.87Å; V72-Y75 HydrophobicContact CG2-CD2 4.13Å; V72-Y75 HydrophobicContact CG2-CE2 3.89Å; V72-Y75 PolarHBondContact O-N 3.19Å; V72-Y75 VanDerWaalsContact O-N 3.1Å
73E92.9Very high96.4Very high40 Ų4048.7 Ų48.719%0.18723%0.231CC..Hα-helixtrans-58.8-31-178.3-67.1-66.1140.700113.6E71 Y75 K76 F77 D101 F104E71-E73 PolarHBondContact O-N 3.19Å; E73-Y75 VanDerWaalsContact C-N 3.25Å; E73-Y75 PolarHBondContact O-N 2.87Å; E73-K76 WeakPolarHBondContact O-CB 3.34Å; E73-K76 PolarHBondContact O-N 3.39Å; E73-K76 VanDerWaalsContact O-N 3.1Å; E73-K76 IonicContact OE1-NZ 2.72Å; E73-K76 PolarHBondContact OE1-NZ 3.03Å; E73-K76 IonicContact OE2-NZ 3.91Å; E73-F77 PolarHBondContact O-N 3.05Å; E73-F77 VanDerWaalsContact O-N 3.07Å; E73-D101 HydrophobicContact CB-CB 4.38Å; E73-D101 HydrophobicContact CG-CB 3.91Å; E73-F104 HydrophobicContact CB-CD2 4.27Å; E73-F104 HydrophobicContact CB-CE2 3.67Å; E73-F104 HydrophobicContact CB-CZ 4.25Å
74E95.1Very high96.4Very high108 Ų10847.6 Ų47.651%0.50522%0.224SC..Hα-helixtrans-56-38.9175.3-70.5176.3170.600112.3V72 F77 Y78 F104V72-E74 HydrophobicContact CG1-CB 4.24Å; V72-E74 PolarHBondContact O-N 3.02Å; E74-F77 PolarHBondContact O-N 3.17Å; E74-Y78 HydrophobicContact CB-CD2 4.42Å; E74-Y78 HydrophobicContact CB-CE2 4.03Å; E74-Y78 WeakPolarHBondContact O-CD2 3.49Å; E74-Y78 PolarHBondContact O-N 3.24Å; E74-F104 HydrophobicContact CB-CZ 4.39Å; E74-F104 HydrophobicContact CG-CZ 3.78Å
75Y96.5Very high96.2Very high17 Ų1748 Ų487%0.06722%0.224CC..Hα-helixtrans-68.1-36.1179-60.7-29000112R39 Y62 L65 F69 V72 E73 F77 Y78 F79R39-Y75 HydrophobicContact CG-CE2 4.43Å; R39-Y75 PolarHBondContact NE-OH 3.38Å; R39-Y75 PolarHBondContact NH2-OH 3.12Å; Y62-Y75 HydrophobicContact CD1-CD1 4.49Å; L65-Y75 HydrophobicContact CB-CD1 4.48Å; L65-Y75 HydrophobicContact CB-CD2 3.74Å; L65-Y75 HydrophobicContact CB-CE2 4.3Å; L65-Y75 HydrophobicContact CB-CG 3.85Å; L65-Y75 HydrophobicContact CD1-CD1 4.11Å; L65-Y75 HydrophobicContact CD1-CE1 4.21Å; L65-Y75 HydrophobicContact CD1-CG 4.32Å; L65-Y75 HydrophobicContact CD2-CD2 4.3Å; L65-Y75 HydrophobicContact CD2-CE2 3.99Å; L65-Y75 HydrophobicContact CG-CD2 4.43Å; F69-Y75 HydrophobicContact CB-CD2 4.32Å; F69-Y75 HydrophobicContact CB-CE2 4.26Å; V72-Y75 HydrophobicContact CB-CD2 3.48Å; V72-Y75 VanDerWaalsContact CB-CD2 3.48Å; V72-Y75 HydrophobicContact CB-CE2 3.69Å; V72-Y75 HydrophobicContact CB-CG 4.15Å; V72-Y75 HydrophobicContact CG1-CD1 4.2Å; V72-Y75 HydrophobicContact CG1-CD2 3.56Å; V72-Y75 HydrophobicContact CG1-CE1 4.22Å; V72-Y75 HydrophobicContact CG1-CE2 3.58Å; V72-Y75 HydrophobicContact CG1-CG 3.87Å; V72-Y75 HydrophobicContact CG2-CD2 4.13Å; V72-Y75 HydrophobicContact CG2-CE2 3.89Å; V72-Y75 PolarHBondContact O-N 3.19Å; V72-Y75 VanDerWaalsContact O-N 3.1Å; E73-Y75 VanDerWaalsContact C-N 3.25Å; E73-Y75 PolarHBondContact O-N 2.87Å; Y75-F77 VanDerWaalsContact C-N 3.34Å; Y75-Y78 PolarHBondContact O-N 3.37Å; Y75-F79 VanDerWaalsContact O-CB 3.26Å; Y75-F79 WeakPolarHBondContact O-CB 3.37Å; Y75-F79 PolarHBondContact O-N 3.07Å
76K97.3Very high96.1Very high34 Ų3449.4 Ų49.415%0.14824%0.236CC..Hα-helixtrans-64.8-41.2174.6-60.4178.1-174.61700111.1T66 P70 E73 F79 A80 I99T66-K76 HydrophobicContact CG2-CB 4.25Å; T66-K76 HydrophobicContact CG2-CG 3.8Å; P70-K76 VanDerWaalsContact O-CE 3.25Å; P70-K76 WeakPolarHBondContact O-CE 3.41Å; P70-K76 PolarHBondContact O-NZ 3.23Å; E73-K76 WeakPolarHBondContact O-CB 3.34Å; E73-K76 PolarHBondContact O-N 3.39Å; E73-K76 VanDerWaalsContact O-N 3.1Å; E73-K76 IonicContact OE1-NZ 2.72Å; E73-K76 PolarHBondContact OE1-NZ 3.03Å; E73-K76 IonicContact OE2-NZ 3.91Å; K76-F79 PolarHBondContact O-N 3.24Å; K76-A80 PolarHBondContact O-N 2.95Å; K76-I99 HydrophobicContact CB-CD1 4.17Å; K76-I99 HydrophobicContact CB-CG1 3.72Å; K76-I99 HydrophobicContact CD-CG1 4.46Å
77F97.3Very high95.9Very high14 Ų1450.3 Ų50.36%0.06125%0.249CC..Hα-helixtrans-63.7-49.1175.9-177.9-94.6000111.9E73 E74 Y75 F79 A80 Q81 I99 F104 K107 L111E73-F77 PolarHBondContact O-N 3.05Å; E73-F77 VanDerWaalsContact O-N 3.07Å; E74-F77 PolarHBondContact O-N 3.17Å; Y75-F77 VanDerWaalsContact C-N 3.34Å; F77-F79 VanDerWaalsContact C-N 3.28Å; F77-F79 PolarHBondContact O-N 2.87Å; F77-A80 PolarHBondContact O-N 3.45Å; F77-Q81 HydrophobicContact CE1-CB 4.49Å; F77-Q81 WeakPolarHBondContact O-CB 3.44Å; F77-Q81 PolarHBondContact O-N 3.19Å; F77-I99 HydrophobicContact CB-CD1 4.07Å; F77-I99 HydrophobicContact CD2-CD1 4.33Å; F77-F104 HydrophobicContact CB-CD1 3.78Å; F77-F104 HydrophobicContact CB-CE1 3.63Å; F77-F104 HydrophobicContact CD1-CE1 4.44Å; F77-F104 AromaticContact CD2-CD1 3.81Å; F77-F104 HydrophobicContact CD2-CD1 3.81Å; F77-F104 HydrophobicContact CD2-CE1 4.39Å; F77-F104 AromaticContact CG-CD1 3.78Å; F77-F104 HydrophobicContact CG-CD1 3.78Å; F77-F104 AromaticContact CG-CE1 3.89Å; F77-F104 HydrophobicContact CG-CE1 3.89Å; F77-K107 HydrophobicContact CD2-CB 4.4Å; F77-K107 HydrophobicContact CE1-CD 4.4Å; F77-K107 HydrophobicContact CE2-CB 3.56Å; F77-K107 HydrophobicContact CZ-CB 3.74Å; F77-K107 HydrophobicContact CZ-CD 4.18Å; F77-K107 HydrophobicContact CZ-CG 4.47Å; F77-L111 HydrophobicContact CE2-CD2 4.11Å
78Y97.4Very high95.9Very high87 Ų8748.3 Ų48.334%0.34124%0.242SC..Hα-helixtrans-64.7-32.4178-63.9-46.4000112.8Y62 E74 Y75 S82Y62-Y78 AromaticContact CE1-CD2 3.95Å; Y62-Y78 HydrophobicContact CE1-CD2 3.95Å; Y62-Y78 HydrophobicContact CE1-CG 4.1Å; E74-Y78 HydrophobicContact CB-CD2 4.42Å; E74-Y78 HydrophobicContact CB-CE2 4.03Å; E74-Y78 WeakPolarHBondContact O-CD2 3.49Å; E74-Y78 PolarHBondContact O-N 3.24Å; Y75-Y78 PolarHBondContact O-N 3.37Å; Y78-S82 VanDerWaalsContact O-CB 3.29Å; Y78-S82 WeakPolarHBondContact O-CB 3.5Å; Y78-S82 PolarHBondContact O-N 3.11Å; Y78-S82 PolarHBondContact O-OG 3.15Å
79F98.4Very high95.9Very high26 Ų2646.8 Ų46.811%0.11424%0.235CC..Hα-helixtrans-61.8-54.3171.7-179.7-137.7000111.3S59 E63 T66 Y75 K76 F77 Q81 S82 L83 A95S59-F79 VanDerWaalsContact O-CD2 3.31Å; S59-F79 WeakPolarHBondContact O-CD2 3.3Å; S59-F79 WeakPolarHBondContact O-CE2 3.35Å; E63-F79 HydrophobicContact CB-CD2 4.09Å; E63-F79 HydrophobicContact CB-CE2 3.57Å; E63-F79 HydrophobicContact CB-CZ 3.8Å; E63-F79 HydrophobicContact CG-CE1 4.32Å; E63-F79 HydrophobicContact CG-CE2 4.07Å; E63-F79 HydrophobicContact CG-CZ 3.74Å; T66-F79 HydrophobicContact CG2-CB 4.19Å; T66-F79 HydrophobicContact CG2-CD1 4.47Å; Y75-F79 VanDerWaalsContact O-CB 3.26Å; Y75-F79 WeakPolarHBondContact O-CB 3.37Å; Y75-F79 PolarHBondContact O-N 3.07Å; K76-F79 PolarHBondContact O-N 3.24Å; F77-F79 VanDerWaalsContact C-N 3.28Å; F77-F79 PolarHBondContact O-N 2.87Å; F79-Q81 VanDerWaalsContact C-N 3.3Å; F79-Q81 PolarHBondContact O-N 3.01Å; F79-S82 PolarHBondContact O-N 3.4Å; F79-L83 HydrophobicContact CD1-CD1 4.29Å; F79-L83 HydrophobicContact CD2-CD1 4.03Å; F79-L83 HydrophobicContact CD2-CG 4.12Å; F79-L83 HydrophobicContact CE1-CD1 3.95Å; F79-L83 HydrophobicContact CE2-CD1 3.65Å; F79-L83 HydrophobicContact CE2-CD2 4.07Å; F79-L83 HydrophobicContact CE2-CG 3.84Å; F79-L83 HydrophobicContact CG-CD1 4.33Å; F79-L83 HydrophobicContact CZ-CD1 3.63Å; F79-L83 HydrophobicContact CZ-CG 4.31Å; F79-L83 WeakPolarHBondContact O-CG 3.44Å; F79-L83 PolarHBondContact O-N 3.14Å; F79-A95 HydrophobicContact CD1-CB 3.8Å; F79-A95 HydrophobicContact CE1-CB 3.95Å
80A98.1Very high95.9Very high0 Ų050.5 Ų50.50%025%0.253CS..Hα-helixtrans-59.6-40.4178.200000112.3K76 F77 L83 Y84 A95 A96 L111K76-A80 PolarHBondContact O-N 2.95Å; F77-A80 PolarHBondContact O-N 3.45Å; A80-L83 PolarHBondContact O-N 3.02Å; A80-Y84 PolarHBondContact O-N 3.02Å; A80-A95 HydrophobicContact CB-CB 3.84Å; A80-A96 HydrophobicContact CB-CB 4.23Å; A80-L111 HydrophobicContact CB-CD2 3.85Å
81Q97.8Very high96.1Very high50 Ų5049 Ų4923%0.23425%0.246CC..Hα-helixtrans-65.5-42177-176.117644.800112.4Y50 F77 F79 Y84 K85Y50-Q81 HydrophobicContact CE2-CG 4.29Å; F77-Q81 HydrophobicContact CE1-CB 4.49Å; F77-Q81 WeakPolarHBondContact O-CB 3.44Å; F77-Q81 PolarHBondContact O-N 3.19Å; F79-Q81 VanDerWaalsContact C-N 3.3Å; F79-Q81 PolarHBondContact O-N 3.01Å; Q81-Y84 PolarHBondContact O-N 3.44Å; Q81-K85 WeakPolarHBondContact O-CG 3.44Å; Q81-K85 PolarHBondContact O-N 3.09Å
82S98.1Very high96.3Very high0 Ų043.1 Ų43.10%022%0.219CC..Hα-helixtrans-66.3-42.1178-57.50000110.9Y62 Y78 F79 Y84 K85 A86Y62-S82 WeakPolarHBondContact CD2-OG 3.49Å; Y78-S82 VanDerWaalsContact O-CB 3.29Å; Y78-S82 WeakPolarHBondContact O-CB 3.5Å; Y78-S82 PolarHBondContact O-N 3.11Å; Y78-S82 PolarHBondContact O-OG 3.15Å; F79-S82 PolarHBondContact O-N 3.4Å; S82-Y84 VanDerWaalsContact C-N 3.35Å; S82-Y84 PolarHBondContact O-N 3.36Å; S82-K85 PolarHBondContact O-N 3.22Å; S82-A86 WeakPolarHBondContact O-CB 3.45Å; S82-A86 PolarHBondContact O-N 3.24Å
83L98.2Very high96.5Very high10 Ų1044.6 Ų44.65%0.05223%0.228CC..Hα-helixtrans-59.4-43.8173.5-71.1170.8000112.3F79 A80 A86 G87 L88 A91 A92 A95F79-L83 HydrophobicContact CD1-CD1 4.29Å; F79-L83 HydrophobicContact CD2-CD1 4.03Å; F79-L83 HydrophobicContact CD2-CG 4.12Å; F79-L83 HydrophobicContact CE1-CD1 3.95Å; F79-L83 HydrophobicContact CE2-CD1 3.65Å; F79-L83 HydrophobicContact CE2-CD2 4.07Å; F79-L83 HydrophobicContact CE2-CG 3.84Å; F79-L83 HydrophobicContact CG-CD1 4.33Å; F79-L83 HydrophobicContact CZ-CD1 3.63Å; F79-L83 HydrophobicContact CZ-CG 4.31Å; F79-L83 WeakPolarHBondContact O-CG 3.44Å; F79-L83 PolarHBondContact O-N 3.14Å; A80-L83 PolarHBondContact O-N 3.02Å; L83-A86 PolarHBondContact O-N 3.48Å; L83-G87 PolarHBondContact O-N 3.17Å; L83-L88 HydrophobicContact CB-CB 4.47Å; L83-L88 HydrophobicContact CD2-CB 4.22Å; L83-L88 HydrophobicContact CD2-CD1 3.83Å; L83-L88 PolarHBondContact O-N 3.25Å; L83-A91 HydrophobicContact CD1-CB 3.97Å; L83-A91 HydrophobicContact CD2-CB 4.07Å; L83-A91 HydrophobicContact CG-CB 4.5Å; L83-A92 HydrophobicContact CB-CB 3.8Å; L83-A95 HydrophobicContact CD1-CB 3.86Å
84Y97.3Very high96.7Very high59 Ų5949.5 Ų49.523%0.23125%0.249CC..Hα-helixtrans-60.3-48.5175.5159.9-104.7000111.6A80 Q81 S82 A86 G87 F89 L111 A114 I115A80-Y84 PolarHBondContact O-N 3.02Å; Q81-Y84 PolarHBondContact O-N 3.44Å; S82-Y84 VanDerWaalsContact C-N 3.35Å; S82-Y84 PolarHBondContact O-N 3.36Å; Y84-A86 PolarHBondContact O-N 2.61Å; Y84-G87 PolarHBondContact O-N 3.49Å; Y84-F89 AromaticContact CD2-CD1 3.95Å; Y84-F89 HydrophobicContact CD2-CD1 3.95Å; Y84-F89 AromaticContact CD2-CE1 3.79Å; Y84-F89 HydrophobicContact CD2-CE1 3.79Å; Y84-F89 HydrophobicContact CE2-CD1 4.43Å; Y84-F89 AromaticContact CE2-CE1 3.91Å; Y84-F89 HydrophobicContact CE2-CE1 3.91Å; Y84-L111 HydrophobicContact CD1-CD1 3.94Å; Y84-L111 HydrophobicContact CG-CD1 3.88Å; Y84-A114 HydrophobicContact CE1-CB 4.2Å; Y84-A114 HydrophobicContact CE2-CB 3.79Å; Y84-A114 WeakPolarHBondContact CE2-O 3.04Å; Y84-I115 HydrophobicContact CD2-CB 4.49Å; Y84-I115 HydrophobicContact CD2-CG1 3.75Å; Y84-I115 HydrophobicContact CG-CG1 4.17Å
85K94.9Very high96.8Very high76 Ų7644.7 Ų44.733%0.3323%0.227SC..Hα-helixtrans-65-28.2179-75.3-73.1-170.2172.10112.7Y50 F55 Q81 S82 G87Y50-K85 HydrophobicContact CE2-CG 4.36Å; F55-K85 HydrophobicContact CB-CB 4.09Å; F55-K85 HydrophobicContact CD1-CB 3.53Å; F55-K85 HydrophobicContact CD1-CG 4.25Å; F55-K85 HydrophobicContact CD2-CB 3.69Å; F55-K85 WeakPolarHBondContact CD2-O 3.26Å; F55-K85 HydrophobicContact CE1-CB 3.8Å; F55-K85 HydrophobicContact CE1-CD 4.43Å; F55-K85 HydrophobicContact CE1-CG 4.09Å; F55-K85 HydrophobicContact CE2-CB 3.94Å; F55-K85 HydrophobicContact CE2-CD 4.49Å; F55-K85 HydrophobicContact CG-CB 3.48Å; F55-K85 VanDerWaalsContact CG-CB 3.48Å; F55-K85 HydrophobicContact CZ-CB 3.99Å; F55-K85 HydrophobicContact CZ-CD 4.17Å; F55-K85 HydrophobicContact CZ-CG 4.29Å; Q81-K85 WeakPolarHBondContact O-CG 3.44Å; Q81-K85 PolarHBondContact O-N 3.09Å; S82-K85 PolarHBondContact O-N 3.22Å; K85-G87 PolarHBondContact O-N 3.17Å
86A94Very high96.8Very high30 Ų3043.9 Ų43.925%0.24822%0.224CC..THydrogen-bonded Turntrans-77-0.7171.800000114F55 V56 S82 L83 Y84 L88F55-A86 HydrophobicContact CB-CB 3.8Å; V56-A86 HydrophobicContact CG2-CB 4.02Å; S82-A86 WeakPolarHBondContact O-CB 3.45Å; S82-A86 PolarHBondContact O-N 3.24Å; L83-A86 PolarHBondContact O-N 3.48Å; Y84-A86 PolarHBondContact O-N 2.61Å; A86-L88 HydrophobicContact CB-CD1 4.32Å; A86-L88 HydrophobicContact CB-CG 4.24Å; A86-L88 PolarHBondContact O-N 3.45Å
87G92.9Very high96.7Very high39 Ų3946.2 Ų46.240%0.40225%0.25SC..THydrogen-bonded Turntrans77.24.6-176.800000114.6L83 Y84 K85 F89L83-G87 PolarHBondContact O-N 3.17Å; Y84-G87 PolarHBondContact O-N 3.49Å; K85-G87 PolarHBondContact O-N 3.17Å; G87-F89 WeakPolarHBondContact O-CD2 3.48Å; G87-F89 PolarHBondContact O-N 3.14Å
88L95.6Very high96.5Very high79 Ų7951 Ų5141%0.41427%0.272SS..  trans-84.560.7-179.1-60.7176.2000111.3L83 A86 Q90 A91 A92L83-L88 HydrophobicContact CB-CB 4.47Å; L83-L88 HydrophobicContact CD2-CB 4.22Å; L83-L88 HydrophobicContact CD2-CD1 3.83Å; L83-L88 PolarHBondContact O-N 3.25Å; A86-L88 HydrophobicContact CB-CD1 4.32Å; A86-L88 HydrophobicContact CB-CG 4.24Å; A86-L88 PolarHBondContact O-N 3.45Å; L88-Q90 PolarHBondContact O-N 2.86Å; L88-A91 HydrophobicContact CB-CB 4.21Å; L88-A91 PolarHBondContact O-N 2.77Å; L88-A91 VanDerWaalsContact O-N 3.12Å; L88-A92 PolarHBondContact O-N 3.06Å
89F96.2Very high96.4Very high54 Ų5447.5 Ų47.524%0.23726%0.259CS..Hα-helixtrans-57.8-44.2-169.2-57.2-53.2000114.4Y84 G87 A91 A92 T93 I115 G118 E119Y84-F89 AromaticContact CD2-CD1 3.95Å; Y84-F89 HydrophobicContact CD2-CD1 3.95Å; Y84-F89 AromaticContact CD2-CE1 3.79Å; Y84-F89 HydrophobicContact CD2-CE1 3.79Å; Y84-F89 HydrophobicContact CE2-CD1 4.43Å; Y84-F89 AromaticContact CE2-CE1 3.91Å; Y84-F89 HydrophobicContact CE2-CE1 3.91Å; G87-F89 WeakPolarHBondContact O-CD2 3.48Å; G87-F89 PolarHBondContact O-N 3.14Å; F89-A91 VanDerWaalsContact C-N 3.3Å; F89-A91 PolarHBondContact O-N 3.18Å; F89-A92 WeakPolarHBondContact O-CB 3.32Å; F89-A92 PolarHBondContact O-N 3.34Å; F89-A92 VanDerWaalsContact O-N 3.14Å; F89-T93 PolarHBondContact O-N 3.19Å; F89-T93 PolarHBondContact O-OG1 2.89Å; F89-I115 HydrophobicContact CB-CG2 4.02Å; F89-I115 HydrophobicContact CD1-CG2 4.45Å; F89-G118 VanDerWaalsContact CE2-C 3.47Å; F89-G118 WeakPolarHBondContact CE2-O 3.22Å; F89-E119 HydrophobicContact CB-CG 3.3Å; F89-E119 VanDerWaalsContact CB-OE1 3.24Å; F89-E119 WeakPolarHBondContact CB-OE1 3.47Å; F89-E119 HydrophobicContact CD2-CG 3.85Å; F89-E119 HydrophobicContact CG-CG 3.71Å
90Q95.7Very high96Very high124 Ų12454.5 Ų54.558%0.57929%0.292SS*.Hα-helixtrans-64.1-35.6178.9-69.5-67.9-41.200112.6L88 K94 E119L88-Q90 PolarHBondContact O-N 2.86Å; Q90-K94 WeakPolarHBondContact O-CG 3.41Å; Q90-K94 PolarHBondContact O-N 3.23Å; Q90-E119 PolarHBondContact N-OE1 2.89Å; Q90-E119 PolarHBondContact NE2-OE1 2.82Å
91A96.9Very high95.7Very high39 Ų3956.7 Ų56.732%0.32230%0.304SS..Hα-helixtrans-71.6-42.1173.600000110.6L83 L88 F89 T93 K94 A95L83-A91 HydrophobicContact CD1-CB 3.97Å; L83-A91 HydrophobicContact CD2-CB 4.07Å; L83-A91 HydrophobicContact CG-CB 4.5Å; L88-A91 HydrophobicContact CB-CB 4.21Å; L88-A91 PolarHBondContact O-N 2.77Å; L88-A91 VanDerWaalsContact O-N 3.12Å; F89-A91 VanDerWaalsContact C-N 3.3Å; F89-A91 PolarHBondContact O-N 3.18Å; A91-T93 PolarHBondContact O-N 3.14Å; A91-K94 PolarHBondContact O-N 2.99Å; A91-A95 PolarHBondContact O-N 2.71Å
92A97.8Very high95.4Very high0 Ų059.3 Ų59.30%033%0.325CS..Hα-helixtrans-58.7-44.9177.400000112L83 L88 F89 K94 A95 A96 I115L83-A92 HydrophobicContact CB-CB 3.8Å; L88-A92 PolarHBondContact O-N 3.06Å; F89-A92 WeakPolarHBondContact O-CB 3.32Å; F89-A92 PolarHBondContact O-N 3.34Å; F89-A92 VanDerWaalsContact O-N 3.14Å; A92-K94 PolarHBondContact O-N 3.19Å; A92-A95 PolarHBondContact O-N 3.47Å; A92-A96 WeakPolarHBondContact O-CB 3.41Å; A92-A96 PolarHBondContact O-N 3.04Å; A92-I115 HydrophobicContact CB-CD1 3.69Å; A92-I115 HydrophobicContact CB-CG1 4.06Å
93T97.5Very high95.1Very high50 Ų5065.9 Ų65.931%0.30736%0.361SS..Hα-helixtrans-58.9-44.3175.9-61.90000112F89 A91 A96 A97 I115F89-T93 PolarHBondContact O-N 3.19Å; F89-T93 PolarHBondContact O-OG1 2.89Å; A91-T93 PolarHBondContact O-N 3.14Å; T93-A96 PolarHBondContact O-N 3.32Å; T93-A97 WeakPolarHBondContact O-CB 3.32Å; T93-A97 PolarHBondContact O-N 3.22Å; T93-I115 VanDerWaalsContact OG1-CG2 3.25Å; T93-I115 WeakPolarHBondContact OG1-CG2 3.4Å
94K97.6Very high94.8Very high144 Ų14466.5 Ų66.563%0.62636%0.363SS*.Hα-helixtrans-65.5-41.6178-70.9174.2-174.1173.40112Q90 A91 A92Q90-K94 WeakPolarHBondContact O-CG 3.41Å; Q90-K94 PolarHBondContact O-N 3.23Å; A91-K94 PolarHBondContact O-N 2.99Å; A92-K94 PolarHBondContact O-N 3.19Å
95A96.8Very high94.5Very high6 Ų670.4 Ų70.45%0.0538%0.381CS..Hα-helixtrans-67-43.9177.300000111.5F79 A80 L83 A91 A92 A97 Q98F79-A95 HydrophobicContact CD1-CB 3.8Å; F79-A95 HydrophobicContact CE1-CB 3.95Å; A80-A95 HydrophobicContact CB-CB 3.84Å; L83-A95 HydrophobicContact CD1-CB 3.86Å; A91-A95 PolarHBondContact O-N 2.71Å; A92-A95 PolarHBondContact O-N 3.47Å; A95-A97 VanDerWaalsContact C-N 3.28Å; A95-A97 PolarHBondContact O-N 3.39Å; A95-Q98 WeakPolarHBondContact O-CB 3.29Å; A95-Q98 PolarHBondContact O-N 2.87Å; A95-Q98 VanDerWaalsContact O-N 3.12Å
96A96.3Very high94.2Very high1 Ų172.2 Ų72.21%0.00839%0.391CS..Hα-helixtrans-58.8-38.3176.600000112.3A80 A92 T93 Q98 I99 L108A80-A96 HydrophobicContact CB-CB 4.23Å; A92-A96 WeakPolarHBondContact O-CB 3.41Å; A92-A96 PolarHBondContact O-N 3.04Å; T93-A96 PolarHBondContact O-N 3.32Å; A96-Q98 PolarHBondContact O-N 2.92Å; A96-I99 PolarHBondContact O-N 3.3Å; A96-L108 HydrophobicContact CB-CD1 3.7Å
97A95.6Very high94Very high83 Ų8376.4 Ų76.469%0.68640%0.403SS*.THydrogen-bonded Turntrans-66.8-14.1178.400000114.7T93 A95 I99T93-A97 WeakPolarHBondContact O-CB 3.32Å; T93-A97 PolarHBondContact O-N 3.22Å; A95-A97 VanDerWaalsContact C-N 3.28Å; A95-A97 PolarHBondContact O-N 3.39Å; A97-I99 VanDerWaalsContact C-N 3.34Å
98Q94.2Very high94Very high115 Ų11575.7 Ų75.754%0.53739%0.39SS..THydrogen-bonded Turntrans-87.8-1.8178.2-62.3-179.81.200113.7A95 A96A95-Q98 WeakPolarHBondContact O-CB 3.29Å; A95-Q98 PolarHBondContact O-N 2.87Å; A95-Q98 VanDerWaalsContact O-N 3.12Å; A96-Q98 PolarHBondContact O-N 2.92Å
99I94.7Very high93.9Very high13 Ų1374.1 Ų74.17%0.06738%0.382CS..  trans-94.6109.7-178.2-56.7170.6000108.4K76 F77 A96 A97 F104 L108K76-I99 HydrophobicContact CB-CD1 4.17Å; K76-I99 HydrophobicContact CB-CG1 3.72Å; K76-I99 HydrophobicContact CD-CG1 4.46Å; F77-I99 HydrophobicContact CB-CD1 4.07Å; F77-I99 HydrophobicContact CD2-CD1 4.33Å; A96-I99 PolarHBondContact O-N 3.3Å; A97-I99 VanDerWaalsContact C-N 3.34Å; I99-F104 HydrophobicContact CG2-CB 3.84Å; I99-F104 HydrophobicContact CG2-CD2 4.39Å; I99-F104 HydrophobicContact CG2-CG 4.12Å; I99-L108 HydrophobicContact CB-CD2 4.46Å; I99-L108 HydrophobicContact CD1-CD1 4.02Å
100E89.2Confident93.7Very high173 Ų17373.4 Ų73.481%0.80838%0.379SS*.  trans-103-14.6-176.5-64.2-176.9179.600113.2P102E100-P102 VanDerWaalsContact O-CD 3.29Å; E100-P102 WeakPolarHBondContact O-CD 3.39Å
101D92.1Very high93.6Very high46 Ų4668 Ų6825%0.24635%0.354CS..  trans-66.1118.7-176.2179.5-2.7000111.6E73 N103 F104E73-D101 HydrophobicContact CB-CB 4.38Å; E73-D101 HydrophobicContact CG-CB 3.91Å; D101-N103 PolarHBondContact O-N 3.4Å; D101-N103 WeakPolarHBondContact OD1-CB 3.42Å; D101-N103 VanDerWaalsContact OD1-CG 3.31Å; D101-N103 PolarHBondContact OD1-N 2.88Å; D101-N103 PolarHBondContact OD1-ND2 3Å; D101-N103 PolarHBondContact OD2-ND2 3.36Å; D101-F104 HydrophobicContact CB-CD2 3.91Å; D101-F104 HydrophobicContact CB-CE2 4.46Å; D101-F104 PolarHBondContact O-N 3.42Å
102P91.5Very high93.6Very high105 Ų10568 Ų6868%0.68235%0.348SS*.G310 helixtrans-55.6-24.1178.2-2635.4000114.9E100 F104 K105E100-P102 VanDerWaalsContact O-CD 3.29Å; E100-P102 WeakPolarHBondContact O-CD 3.39Å; P102-F104 PolarHBondContact O-N 3.38Å; P102-K105 WeakPolarHBondContact O-CB 3.41Å; P102-K105 PolarHBondContact O-N 2.8Å; P102-K105 VanDerWaalsContact O-N 3.16Å
103N92.7Very high93.4Very high138 Ų13868 Ų6874%0.73835%0.349SS*.G310 helixtrans-63.9-25.5177-63.8-42.8000112.7D101D101-N103 PolarHBondContact O-N 3.4Å; D101-N103 WeakPolarHBondContact OD1-CB 3.42Å; D101-N103 VanDerWaalsContact OD1-CG 3.31Å; D101-N103 PolarHBondContact OD1-N 2.88Å; D101-N103 PolarHBondContact OD1-ND2 3Å; D101-N103 PolarHBondContact OD2-ND2 3.36Å
104F92.1Very high93.3Very high23 Ų2366.7 Ų66.710%0.10134%0.342CS..G310 helixtrans-89.4-5.9178-72.3-92000113.2E73 E74 F77 I99 D101 P102 E106 K107 L108E73-F104 HydrophobicContact CB-CD2 4.27Å; E73-F104 HydrophobicContact CB-CE2 3.67Å; E73-F104 HydrophobicContact CB-CZ 4.25Å; E74-F104 HydrophobicContact CB-CZ 4.39Å; E74-F104 HydrophobicContact CG-CZ 3.78Å; F77-F104 HydrophobicContact CB-CD1 3.78Å; F77-F104 HydrophobicContact CB-CE1 3.63Å; F77-F104 HydrophobicContact CD1-CE1 4.44Å; F77-F104 AromaticContact CD2-CD1 3.81Å; F77-F104 HydrophobicContact CD2-CD1 3.81Å; F77-F104 HydrophobicContact CD2-CE1 4.39Å; F77-F104 AromaticContact CG-CD1 3.78Å; F77-F104 HydrophobicContact CG-CD1 3.78Å; F77-F104 AromaticContact CG-CE1 3.89Å; F77-F104 HydrophobicContact CG-CE1 3.89Å; I99-F104 HydrophobicContact CG2-CB 3.84Å; I99-F104 HydrophobicContact CG2-CD2 4.39Å; I99-F104 HydrophobicContact CG2-CG 4.12Å; D101-F104 HydrophobicContact CB-CD2 3.91Å; D101-F104 HydrophobicContact CB-CE2 4.46Å; D101-F104 PolarHBondContact O-N 3.42Å; P102-F104 PolarHBondContact O-N 3.38Å; F104-E106 VanDerWaalsContact C-N 3.32Å; F104-E106 PolarHBondContact O-N 3.44Å; F104-E106 VanDerWaalsContact O-N 3.16Å; F104-K107 HydrophobicContact CD1-CD 4.48Å; F104-K107 PolarHBondContact O-N 2.93Å; F104-K107 VanDerWaalsContact O-N 3.09Å; F104-L108 VanDerWaalsContact O-CB 3.26Å; F104-L108 WeakPolarHBondContact O-CB 3.13Å; F104-L108 PolarHBondContact O-N 3.01Å
105K89.8Confident93.3Very high141 Ų14159.9 Ų59.961%0.61331%0.313SS*.Hα-helixtrans-51-46.1-171.9-175.4177.3179.7179.80113.7P102 N109P102-K105 WeakPolarHBondContact O-CB 3.41Å; P102-K105 PolarHBondContact O-N 2.8Å; P102-K105 VanDerWaalsContact O-N 3.16Å; K105-N109 WeakPolarHBondContact O-CB 3.12Å; K105-N109 VanDerWaalsContact O-CG 3.24Å; K105-N109 PolarHBondContact O-N 2.74Å; K105-N109 PolarHBondContact O-OD1 2.89Å
106E88.5Confident93.3Very high114 Ų11462 Ų6253%0.53332%0.322SS..Hα-helixtrans-67.7-47179.6-169.8-170.4150.900112.1F104 L108 N109 K110F104-E106 VanDerWaalsContact C-N 3.32Å; F104-E106 PolarHBondContact O-N 3.44Å; F104-E106 VanDerWaalsContact O-N 3.16Å; E106-L108 VanDerWaalsContact C-N 3.29Å; E106-L108 PolarHBondContact O-N 3.33Å; E106-N109 PolarHBondContact O-N 3.06Å; E106-K110 PolarHBondContact O-N 3.3Å; E106-K110 IonicContact OE1-NZ 3.07Å; E106-K110 PolarHBondContact OE1-NZ 3.38Å; E106-K110 VanDerWaalsContact OE1-NZ 3.11Å
107K91Very high93.2Very high118 Ų11864.9 Ų64.951%0.51333%0.333SS..Hα-helixtrans-62.7-38.7177.6-66.5-177.1178.1177.20111.7F77 F104 K110 L111F77-K107 HydrophobicContact CD2-CB 4.4Å; F77-K107 HydrophobicContact CE1-CD 4.4Å; F77-K107 HydrophobicContact CE2-CB 3.56Å; F77-K107 HydrophobicContact CZ-CB 3.74Å; F77-K107 HydrophobicContact CZ-CD 4.18Å; F77-K107 HydrophobicContact CZ-CG 4.47Å; F104-K107 HydrophobicContact CD1-CD 4.48Å; F104-K107 PolarHBondContact O-N 2.93Å; F104-K107 VanDerWaalsContact O-N 3.09Å; K107-K110 PolarHBondContact O-N 3.5Å; K107-L111 WeakPolarHBondContact O-CB 3.42Å; K107-L111 PolarHBondContact O-N 3.18Å
108L93Very high93.1Very high24 Ų2462.2 Ų62.213%0.12631%0.313CS..Hα-helixtrans-67.9-40.2178.2-166.965.6000111.2A96 I99 F104 E106 L111 N112A96-L108 HydrophobicContact CB-CD1 3.7Å; I99-L108 HydrophobicContact CB-CD2 4.46Å; I99-L108 HydrophobicContact CD1-CD1 4.02Å; F104-L108 VanDerWaalsContact O-CB 3.26Å; F104-L108 WeakPolarHBondContact O-CB 3.13Å; F104-L108 PolarHBondContact O-N 3.01Å; E106-L108 VanDerWaalsContact C-N 3.29Å; E106-L108 PolarHBondContact O-N 3.33Å; L108-L111 PolarHBondContact O-N 2.96Å; L108-N112 VanDerWaalsContact O-CB 3.3Å; L108-N112 WeakPolarHBondContact O-CB 3.36Å; L108-N112 PolarHBondContact O-N 2.92Å; L108-N112 PolarHBondContact O-ND2 3.43Å
109N91.9Very high93Very high45 Ų4559.9 Ų59.924%0.24130%0.303CS..Hα-helixtrans-59.6-47.2172.2-77-0.7000111.4K105 E106 N112 A113 I128K105-N109 WeakPolarHBondContact O-CB 3.12Å; K105-N109 VanDerWaalsContact O-CG 3.24Å; K105-N109 PolarHBondContact O-N 2.74Å; K105-N109 PolarHBondContact O-OD1 2.89Å; E106-N109 PolarHBondContact O-N 3.06Å; N109-N112 PolarHBondContact O-N 3.01Å; N109-A113 WeakPolarHBondContact O-CB 3.45Å; N109-A113 PolarHBondContact O-N 3.37Å; N109-I128 HydrophobicContact CB-CG2 4.19Å; N109-I128 VanDerWaalsContact O-CG2 3.29Å; N109-I128 WeakPolarHBondContact O-CG2 3.16Å
110K92.3Very high92.9Very high39 Ų3961 Ų6117%0.1732%0.317CS..Hα-helixtrans-61.9-43.6177.3-70.2178.2177179.40111.8E106 K107 A113 A114 D136 D138E106-K110 PolarHBondContact O-N 3.3Å; E106-K110 IonicContact OE1-NZ 3.07Å; E106-K110 PolarHBondContact OE1-NZ 3.38Å; E106-K110 VanDerWaalsContact OE1-NZ 3.11Å; K107-K110 PolarHBondContact O-N 3.5Å; K110-A113 PolarHBondContact O-N 2.9Å; K110-A114 PolarHBondContact O-N 2.96Å; K110-A114 VanDerWaalsContact O-N 3.09Å; K110-D136 WeakPolarHBondContact CE-OD2 3.34Å; K110-D136 IonicContact NZ-OD1 3.11Å; K110-D136 PolarHBondContact NZ-OD1 3.21Å; K110-D136 VanDerWaalsContact NZ-OD1 3.12Å; K110-D136 IonicContact NZ-OD2 2.67Å; K110-D136 PolarHBondContact NZ-OD2 3.24Å; K110-D138 HydrophobicContact CD-CB 4.27Å; K110-D138 WeakPolarHBondContact CE-OD2 3.31Å; K110-D138 IonicContact NZ-OD2 3.27Å; K110-D138 PolarHBondContact NZ-OD2 2.9Å
111L94.7Very high93.2Very high11 Ų1155.3 Ų55.36%0.05829%0.292CS..Hα-helixtrans-63.7-46.7176.418059.8000111.9F77 A80 Y84 K107 L108 A113 A114 I115F77-L111 HydrophobicContact CE2-CD2 4.11Å; A80-L111 HydrophobicContact CB-CD2 3.85Å; Y84-L111 HydrophobicContact CD1-CD1 3.94Å; Y84-L111 HydrophobicContact CG-CD1 3.88Å; K107-L111 WeakPolarHBondContact O-CB 3.42Å; K107-L111 PolarHBondContact O-N 3.18Å; L108-L111 PolarHBondContact O-N 2.96Å; L111-A113 PolarHBondContact O-N 3.01Å; L111-A114 WeakPolarHBondContact O-CB 3.49Å; L111-A114 PolarHBondContact O-N 3.11Å; L111-A114 VanDerWaalsContact O-N 3.16Å; L111-I115 HydrophobicContact CD1-CD1 4.16Å; L111-I115 HydrophobicContact CD1-CG1 4.29Å; L111-I115 HydrophobicContact CG-CD1 3.86Å; L111-I115 HydrophobicContact CG-CG1 4.43Å; L111-I115 VanDerWaalsContact O-CG1 3.3Å; L111-I115 WeakPolarHBondContact O-CG1 3.37Å; L111-I115 PolarHBondContact O-N 2.97Å
112N95.5Very high93.3Very high39 Ų3955.1 Ų55.121%0.20929%0.291CS..Hα-helixtrans-61.8-43.4177.8-73.6-24.7000111.3L108 N109 A114 I115 H116 I128L108-N112 VanDerWaalsContact O-CB 3.3Å; L108-N112 WeakPolarHBondContact O-CB 3.36Å; L108-N112 PolarHBondContact O-N 2.92Å; L108-N112 PolarHBondContact O-ND2 3.43Å; N109-N112 PolarHBondContact O-N 3.01Å; N112-A114 VanDerWaalsContact C-N 3.27Å; N112-A114 PolarHBondContact O-N 2.9Å; N112-I115 PolarHBondContact O-N 2.61Å; N112-H116 PolarHBondContact O-CD2 3.39Å; N112-H116 PolarHBondContact O-N 2.86Å; N112-I128 HydrophobicContact CB-CD1 4.01Å
113A94.5Very high93.5Very high1 Ų154.5 Ų54.51%0.00829%0.289CS..Hα-helixtrans-57.1-42.2174.700000112.2N109 K110 L111 Y117 S125 I128 V129N109-A113 WeakPolarHBondContact O-CB 3.45Å; N109-A113 PolarHBondContact O-N 3.37Å; K110-A113 PolarHBondContact O-N 2.9Å; L111-A113 PolarHBondContact O-N 3.01Å; A113-Y117 WeakPolarHBondContact O-CB 3.48Å; A113-Y117 PolarHBondContact O-N 3.21Å; A113-S125 WeakPolarHBondContact O-CB 3.13Å; A113-S125 PolarHBondContact O-OG 3.37Å; A113-I128 HydrophobicContact CB-CB 4.11Å; A113-I128 HydrophobicContact CB-CG2 3.88Å; A113-V129 HydrophobicContact CB-CG2 3.8Å
114A95.5Very high93.6Very high21 Ų2148.6 Ų48.617%0.17426%0.261CS..Hα-helixtrans-68.2-39.4176.900000112.7Y84 K110 L111 N112 Y117 G118Y84-A114 HydrophobicContact CE1-CB 4.2Å; Y84-A114 HydrophobicContact CE2-CB 3.79Å; Y84-A114 WeakPolarHBondContact CE2-O 3.04Å; K110-A114 PolarHBondContact O-N 2.96Å; K110-A114 VanDerWaalsContact O-N 3.09Å; L111-A114 WeakPolarHBondContact O-CB 3.49Å; L111-A114 PolarHBondContact O-N 3.11Å; L111-A114 VanDerWaalsContact O-N 3.16Å; N112-A114 VanDerWaalsContact C-N 3.27Å; N112-A114 PolarHBondContact O-N 2.9Å; A114-Y117 WeakPolarHBondContact O-CB 3.48Å; A114-Y117 PolarHBondContact O-N 3.06Å; A114-G118 PolarHBondContact O-N 3.27Å
115I97.2Very high93.7Very high1 Ų147.7 Ų47.71%0.00526%0.258CS..Hα-helixtrans-62.1-51.3174.5-66.4163.2000110.6Y84 F89 A92 T93 L111 N112 Y117 G118 E119Y84-I115 HydrophobicContact CD2-CB 4.49Å; Y84-I115 HydrophobicContact CD2-CG1 3.75Å; Y84-I115 HydrophobicContact CG-CG1 4.17Å; F89-I115 HydrophobicContact CB-CG2 4.02Å; F89-I115 HydrophobicContact CD1-CG2 4.45Å; A92-I115 HydrophobicContact CB-CD1 3.69Å; A92-I115 HydrophobicContact CB-CG1 4.06Å; T93-I115 VanDerWaalsContact OG1-CG2 3.25Å; T93-I115 WeakPolarHBondContact OG1-CG2 3.4Å; L111-I115 HydrophobicContact CD1-CD1 4.16Å; L111-I115 HydrophobicContact CD1-CG1 4.29Å; L111-I115 HydrophobicContact CG-CD1 3.86Å; L111-I115 HydrophobicContact CG-CG1 4.43Å; L111-I115 VanDerWaalsContact O-CG1 3.3Å; L111-I115 WeakPolarHBondContact O-CG1 3.37Å; L111-I115 PolarHBondContact O-N 2.97Å; N112-I115 PolarHBondContact O-N 2.61Å; I115-Y117 PolarHBondContact O-N 3.29Å; I115-G118 PolarHBondContact O-N 3.24Å; I115-G118 VanDerWaalsContact O-N 3.09Å; I115-E119 WeakPolarHBondContact O-CG 3.36Å; I115-E119 PolarHBondContact O-N 3.14Å
116H96.6Very high93.9Very high51 Ų5143.1 Ų43.124%0.23624%0.237CC..Hα-helixtrans-57.1-39.5176.1-82-84000112N112 E119 G120 D121N112-H116 PolarHBondContact O-CD2 3.39Å; N112-H116 PolarHBondContact O-N 2.86Å; H116-E119 PolarHBondContact O-N 3.08Å; H116-G120 PolarHBondContact O-N 3.41Å; H116-D121 HydrophobicContact CB-CB 4.45Å; H116-D121 IonicContact CE1-OD2 2.59Å; H116-D121 PolarHBondContact CE1-OD2 3.34Å; H116-D121 IonicContact CG-OD2 2.93Å; H116-D121 IonicContact ND1-OD2 3.13Å; H116-D121 PolarHBondContact ND1-OD2 3.4Å; H116-D121 CarbonylContact O-C 3.6Å; H116-D121 WeakPolarHBondContact O-CA 3.39Å; H116-D121 PolarHBondContact O-N 2.98Å
117Y95.6Very high94.2Very high61 Ų6140.6 Ų40.624%0.23923%0.232CC..Hα-helixtrans-62.3-46175.5-176.7-90.7000112A113 A114 I115 E119 G120 L122 C145 L146 R149A113-Y117 WeakPolarHBondContact O-CB 3.48Å; A113-Y117 PolarHBondContact O-N 3.21Å; A114-Y117 WeakPolarHBondContact O-CB 3.48Å; A114-Y117 PolarHBondContact O-N 3.06Å; I115-Y117 PolarHBondContact O-N 3.29Å; Y117-E119 VanDerWaalsContact C-N 3.34Å; Y117-E119 PolarHBondContact O-N 3.35Å; Y117-G120 PolarHBondContact O-N 2.94Å; Y117-G120 VanDerWaalsContact O-N 3.1Å; Y117-L122 HydrophobicContact CD2-CD2 4.16Å; Y117-L122 HydrophobicContact CE2-CD2 4.33Å; Y117-C145 HydrophobicContact CE2-CB 4.07Å; Y117-C145 WeakPolarHBondContact CE2-O 3.28Å; Y117-C145 PolarHBondContact OH-O 3.22Å; Y117-L146 HydrophobicContact CD2-CD2 3.84Å; Y117-L146 HydrophobicContact CD2-CG 4.36Å; Y117-L146 HydrophobicContact CE2-CD2 4.23Å; Y117-R149 HydrophobicContact CE2-CB 4.09Å
118G92.5Very high94.3Very high27 Ų2736.3 Ų36.328%0.27821%0.214SC..Hα-helixtrans-61.9-37.7178.400000113.4F89 A114 I115 G120F89-G118 VanDerWaalsContact CE2-C 3.47Å; F89-G118 WeakPolarHBondContact CE2-O 3.22Å; A114-G118 PolarHBondContact O-N 3.27Å; I115-G118 PolarHBondContact O-N 3.24Å; I115-G118 VanDerWaalsContact O-N 3.09Å; G118-G120 PolarHBondContact O-N 3.36Å
119E92.8Very high94.2Very high67 Ų6735.3 Ų35.331%0.31321%0.209SC..THydrogen-bonded Turntrans-73-9.9175.3-66-174.4148.500113.8F89 Q90 I115 H116 Y117 D121F89-E119 HydrophobicContact CB-CG 3.3Å; F89-E119 VanDerWaalsContact CB-OE1 3.24Å; F89-E119 WeakPolarHBondContact CB-OE1 3.47Å; F89-E119 HydrophobicContact CD2-CG 3.85Å; F89-E119 HydrophobicContact CG-CG 3.71Å; Q90-E119 PolarHBondContact N-OE1 2.89Å; Q90-E119 PolarHBondContact NE2-OE1 2.82Å; I115-E119 WeakPolarHBondContact O-CG 3.36Å; I115-E119 PolarHBondContact O-N 3.14Å; H116-E119 PolarHBondContact O-N 3.08Å; Y117-E119 VanDerWaalsContact C-N 3.34Å; Y117-E119 PolarHBondContact O-N 3.35Å; E119-D121 VanDerWaalsContact C-N 3.34Å
120G91.5Very high94.1Very high36 Ų3638.7 Ų38.737%0.37122%0.223SC..THydrogen-bonded Turntrans83.15.1-17400000114.5H116 Y117 G118 L122H116-G120 PolarHBondContact O-N 3.41Å; Y117-G120 PolarHBondContact O-N 2.94Å; Y117-G120 VanDerWaalsContact O-N 3.1Å; G118-G120 PolarHBondContact O-N 3.36Å; G120-L122 VanDerWaalsContact C-N 3.26Å; G120-L122 PolarHBondContact O-N 3.41Å
121D95.5Very high93.8Very high54 Ų5443.3 Ų43.329%0.28925%0.245SC..  trans-78.875.6169.4178.918.4000110.9H116 E119 S123 G124 S125H116-D121 HydrophobicContact CB-CB 4.45Å; H116-D121 IonicContact CE1-OD2 2.59Å; H116-D121 PolarHBondContact CE1-OD2 3.34Å; H116-D121 IonicContact CG-OD2 2.93Å; H116-D121 IonicContact ND1-OD2 3.13Å; H116-D121 PolarHBondContact ND1-OD2 3.4Å; H116-D121 CarbonylContact O-C 3.6Å; H116-D121 WeakPolarHBondContact O-CA 3.39Å; H116-D121 PolarHBondContact O-N 2.98Å; E119-D121 VanDerWaalsContact C-N 3.34Å; D121-S123 PolarHBondContact O-N 3.12Å; D121-S123 PolarHBondContact OD1-N 3.48Å; D121-S123 PolarHBondContact OD1-OG 2.65Å; D121-G124 PolarHBondContact O-N 3.34Å; D121-G124 PolarHBondContact OD1-N 3.19Å; D121-G124 WeakPolarHBondContact OD2-CA 3.33Å; D121-S125 WeakPolarHBondContact O-CB 3.48Å; D121-S125 PolarHBondContact O-N 2.86Å
122L95.1Very high93.1Very high41 Ų4143.8 Ų43.822%0.21525%0.248CC..Hα-helixtrans-62.1-30.7179.2-52.6-174.5000112Y117 G120 R126 L146 R149 E150Y117-L122 HydrophobicContact CD2-CD2 4.16Å; Y117-L122 HydrophobicContact CE2-CD2 4.33Å; G120-L122 VanDerWaalsContact C-N 3.26Å; G120-L122 PolarHBondContact O-N 3.41Å; L122-R126 WeakPolarHBondContact O-CB 3.28Å; L122-R126 PolarHBondContact O-N 3.42Å; L122-L146 HydrophobicContact CB-CD2 4.26Å; L122-L146 HydrophobicContact CD2-CD2 4.31Å; L122-R149 HydrophobicContact CD1-CB 4.36Å; L122-R149 HydrophobicContact CD1-CG 4.09Å; L122-R149 HydrophobicContact CD2-CB 4.31Å; L122-R149 HydrophobicContact CD2-CG 3.95Å; L122-E150 HydrophobicContact CD1-CG 4.22Å
123S94.8Very high91.9Very high92 Ų9246.1 Ų46.164%0.64327%0.267SS*.Hα-helixtrans-70.7-46-178.571.30000112.5D121 S127D121-S123 PolarHBondContact O-N 3.12Å; D121-S123 PolarHBondContact OD1-N 3.48Å; D121-S123 PolarHBondContact OD1-OG 2.65Å; S123-S127 PolarHBondContact O-N 2.8Å
124G94.5Very high90.5Very high15 Ų1553.3 Ų53.316%0.15531%0.311CS..Hα-helixtrans-64.3-45.1174.100000111.2D121 R126 S127 I128D121-G124 PolarHBondContact O-N 3.34Å; D121-G124 PolarHBondContact OD1-N 3.19Å; D121-G124 WeakPolarHBondContact OD2-CA 3.33Å; G124-R126 PolarHBondContact O-N 3.42Å; G124-S127 PolarHBondContact O-N 3.26Å; G124-I128 WeakPolarHBondContact O-CG1 2.87Å; G124-I128 PolarHBondContact O-N 2.95Å
125S95.6Very high89.2Confident3 Ų355.4 Ų55.42%0.02134%0.335CS..Hα-helixtrans-57-50.5176.3-173.90000111.9A113 D121 S127 I128 V129A113-S125 WeakPolarHBondContact O-CB 3.13Å; A113-S125 PolarHBondContact O-OG 3.37Å; D121-S125 WeakPolarHBondContact O-CB 3.48Å; D121-S125 PolarHBondContact O-N 2.86Å; S125-S127 PolarHBondContact O-N 3.42Å; S125-I128 PolarHBondContact O-N 2.96Å; S125-V129 WeakPolarHBondContact O-CG2 3.47Å; S125-V129 PolarHBondContact O-N 3.46Å
126R94.4Very high88.6Confident46 Ų4656.7 Ų56.717%0.17434%0.342CS..Hα-helixtrans-58-45.5176.9179.7175.1-71.4-76.51.9112.5L122 G124 I128 V129 E130 L146 E150L122-R126 WeakPolarHBondContact O-CB 3.28Å; L122-R126 PolarHBondContact O-N 3.42Å; G124-R126 PolarHBondContact O-N 3.42Å; R126-I128 PolarHBondContact O-N 3.34Å; R126-V129 PolarHBondContact O-N 3.26Å; R126-E130 WeakPolarHBondContact CD-OE1 3.08Å; R126-E130 HydrophobicContact CG-CG 4.21Å; R126-E130 WeakPolarHBondContact CG-OE1 3.4Å; R126-E130 IonicContact NH1-OE1 2.84Å; R126-E130 PolarHBondContact NH1-OE1 2.89Å; R126-E130 VanDerWaalsContact NH1-OE1 3.13Å; R126-E130 WeakPolarHBondContact O-CB 3.47Å; R126-E130 WeakPolarHBondContact O-CG 3.39Å; R126-E130 PolarHBondContact O-N 2.95Å; R126-L146 HydrophobicContact CB-CD1 3.93Å; R126-L146 HydrophobicContact CG-CD1 4.47Å; R126-E150 IonicContact CZ-OE1 2.69Å; R126-E150 IonicContact NE-OE1 2.94Å; R126-E150 PolarHBondContact NE-OE1 3.02Å; R126-E150 IonicContact NH2-OE1 2.71Å; R126-E150 PolarHBondContact NH2-OE1 3.14Å; R126-E150 IonicContact NH2-OE2 3.12Å; R126-E150 PolarHBondContact NH2-OE2 2.9Å
127S93.8Very high88.2Confident61 Ų6156.8 Ų56.843%0.42734%0.343SS..Hα-helixtrans-58.6-36.8-179.8-170.90000112.4S123 G124 S125 Q131S123-S127 PolarHBondContact O-N 2.8Å; G124-S127 PolarHBondContact O-N 3.26Å; S125-S127 PolarHBondContact O-N 3.42Å; S127-Q131 WeakPolarHBondContact O-CG 3.29Å; S127-Q131 PolarHBondContact O-NE2 3.43Å; S127-Q131 VanDerWaalsContact O-NE2 3.12Å; S127-Q131 PolarHBondContact OG-NE2 3Å
128I92.3Very high88Confident27 Ų2757.2 Ų57.214%0.13835%0.35CS..Hα-helixtrans-74.7-45.1177.7-61.2165.7000110.7N109 N112 A113 G124 S125 R126 E130 Q131N109-I128 HydrophobicContact CB-CG2 4.19Å; N109-I128 VanDerWaalsContact O-CG2 3.29Å; N109-I128 WeakPolarHBondContact O-CG2 3.16Å; N112-I128 HydrophobicContact CB-CD1 4.01Å; A113-I128 HydrophobicContact CB-CB 4.11Å; A113-I128 HydrophobicContact CB-CG2 3.88Å; G124-I128 WeakPolarHBondContact O-CG1 2.87Å; G124-I128 PolarHBondContact O-N 2.95Å; S125-I128 PolarHBondContact O-N 2.96Å; R126-I128 PolarHBondContact O-N 3.34Å; I128-E130 VanDerWaalsContact C-N 3.33Å; I128-E130 PolarHBondContact O-N 3.45Å; I128-Q131 PolarHBondContact O-N 2.72Å
129V92Very high87.9Confident3 Ų356.4 Ų56.42%0.01834%0.34CS..Hα-helixtrans-61.6-41-179.1175.10000111.6A113 S125 R126 Q131 N132 N142 L143 L146A113-V129 HydrophobicContact CB-CG2 3.8Å; S125-V129 WeakPolarHBondContact O-CG2 3.47Å; S125-V129 PolarHBondContact O-N 3.46Å; R126-V129 PolarHBondContact O-N 3.26Å; V129-Q131 VanDerWaalsContact C-N 3.27Å; V129-Q131 PolarHBondContact O-N 3.44Å; V129-N132 WeakPolarHBondContact O-CB 3.44Å; V129-N132 PolarHBondContact O-N 2.99Å; V129-N142 HydrophobicContact CG1-CB 4.01Å; V129-N142 HydrophobicContact CG2-CB 3.83Å; V129-L143 HydrophobicContact CG1-CD2 3.98Å; V129-L143 HydrophobicContact CG1-CG 3.77Å; V129-L146 HydrophobicContact CG2-CD1 4.34Å
130E89.7Confident87.9Confident116 Ų11654.3 Ų54.354%0.54233%0.331SS..Hα-helixtrans-73.3-16.4-180-69.8175.8-178.200113.6R126 I128 N132 L143R126-E130 WeakPolarHBondContact CD-OE1 3.08Å; R126-E130 HydrophobicContact CG-CG 4.21Å; R126-E130 WeakPolarHBondContact CG-OE1 3.4Å; R126-E130 IonicContact NH1-OE1 2.84Å; R126-E130 PolarHBondContact NH1-OE1 2.89Å; R126-E130 VanDerWaalsContact NH1-OE1 3.13Å; R126-E130 WeakPolarHBondContact O-CB 3.47Å; R126-E130 WeakPolarHBondContact O-CG 3.39Å; R126-E130 PolarHBondContact O-N 2.95Å; I128-E130 VanDerWaalsContact C-N 3.33Å; I128-E130 PolarHBondContact O-N 3.45Å; E130-N132 VanDerWaalsContact C-N 3.35Å; E130-L143 HydrophobicContact CG-CD2 4.29Å
131Q86.2Confident88Confident136 Ų13653.8 Ų53.864%0.63632%0.319SS*.Hα-helixtrans-80.5-14.9173.6-75.3172.137.800113.4S127 I128 V129S127-Q131 WeakPolarHBondContact O-CG 3.29Å; S127-Q131 PolarHBondContact O-NE2 3.43Å; S127-Q131 VanDerWaalsContact O-NE2 3.12Å; S127-Q131 PolarHBondContact OG-NE2 3Å; I128-Q131 PolarHBondContact O-N 2.72Å; V129-Q131 VanDerWaalsContact C-N 3.27Å; V129-Q131 PolarHBondContact O-N 3.44Å
132N80.1Confident88Confident22 Ų2253.4 Ų53.412%0.11832%0.317CS..SBendtrans-70.1161.6177.1-67.5-24.8000111.3V129 E130 T134 S139V129-N132 WeakPolarHBondContact O-CB 3.44Å; V129-N132 PolarHBondContact O-N 2.99Å; E130-N132 VanDerWaalsContact C-N 3.35Å; N132-T134 PolarHBondContact O-N 3.45Å; N132-S139 WeakPolarHBondContact CB-OG 3.19Å; N132-S139 PolarHBondContact ND2-OG 2.89Å; N132-S139 VanDerWaalsContact ND2-OG 3.09Å
133S69Low87.9Confident87 Ų8753.1 Ų53.161%0.60832%0.315SS*.  trans-58.1133.9-178.748.70000111.5G135 D136S133-G135 PolarHBondContact O-N 3.19Å; S133-D136 PolarHBondContact O-N 2.87Å; S133-D136 VanDerWaalsContact O-N 3.17Å
134T65.5Low88Confident153 Ų15348.7 Ų48.794%0.93929%0.285SS*.THydrogen-bonded Turntrans-60.3103.2174.652.20000109.5N132N132-T134 PolarHBondContact O-N 3.45Å
135G69.2Low88.1Confident65 Ų6549.3 Ų49.367%0.6729%0.286SS*.THydrogen-bonded Turntrans124-5.5-179.900000115.8S133 I137S133-G135 PolarHBondContact O-N 3.19Å; G135-I137 PolarHBondContact O-N 3.04Å
136D83.8Confident88.2Confident28 Ų2849.2 Ų49.215%0.1529%0.285CS..  trans-63.8122.7169173.341000110.4K110 S133 D138 S139 I140K110-D136 WeakPolarHBondContact CE-OD2 3.34Å; K110-D136 IonicContact NZ-OD1 3.11Å; K110-D136 PolarHBondContact NZ-OD1 3.21Å; K110-D136 VanDerWaalsContact NZ-OD1 3.12Å; K110-D136 IonicContact NZ-OD2 2.67Å; K110-D136 PolarHBondContact NZ-OD2 3.24Å; S133-D136 PolarHBondContact O-N 2.87Å; S133-D136 VanDerWaalsContact O-N 3.17Å; D136-D138 VanDerWaalsContact C-N 3.3Å; D136-D138 PolarHBondContact O-N 2.98Å; D136-D138 PolarHBondContact OD1-N 3.39Å; D136-S139 WeakPolarHBondContact O-CB 3.47Å; D136-S139 PolarHBondContact O-N 3.48Å; D136-S139 VanDerWaalsContact O-N 3.12Å; D136-S139 PolarHBondContact OD2-N 3.29Å; D136-S139 PolarHBondContact OD2-OG 2.89Å; D136-I140 PolarHBondContact O-N 2.94Å
137I89.5Confident88.3Confident52 Ų5248.5 Ų48.527%0.26728%0.284SS..Hα-helixtrans-62.7-40-176.1-67168.5000110.4G135 S139 I140 I141 T166 T167G135-I137 PolarHBondContact O-N 3.04Å; I137-S139 PolarHBondContact O-N 2.92Å; I137-I140 WeakPolarHBondContact O-CB 3.21Å; I137-I140 PolarHBondContact O-N 3.31Å; I137-I141 HydrophobicContact CG2-CD1 3.85Å; I137-I141 HydrophobicContact CG2-CG1 4.4Å; I137-I141 WeakPolarHBondContact O-CG1 3.47Å; I137-I141 PolarHBondContact O-N 3.39Å; I137-T166 HydrophobicContact CD1-CG2 3.65Å; I137-T166 HydrophobicContact CG1-CG2 4.05Å; I137-T167 HydrophobicContact CD1-CG2 3.83Å; I137-T167 HydrophobicContact CG2-CG2 3.5Å; I137-T167 VanDerWaalsContact CG2-CG2 3.5Å
138D90.3Very high88.5Confident70 Ų7047.8 Ų47.837%0.37427%0.272SS..Hα-helixtrans-60.6-36.1177.9-64.3-27.3000110.9K110 D136 I141 N142K110-D138 HydrophobicContact CD-CB 4.27Å; K110-D138 WeakPolarHBondContact CE-OD2 3.31Å; K110-D138 IonicContact NZ-OD2 3.27Å; K110-D138 PolarHBondContact NZ-OD2 2.9Å; D136-D138 VanDerWaalsContact C-N 3.3Å; D136-D138 PolarHBondContact O-N 2.98Å; D136-D138 PolarHBondContact OD1-N 3.39Å; D138-I141 PolarHBondContact O-N 3.06Å; D138-N142 VanDerWaalsContact O-CB 3.32Å; D138-N142 WeakPolarHBondContact O-CB 3.29Å; D138-N142 PolarHBondContact O-N 3.32Å; D138-N142 PolarHBondContact O-ND2 3.42Å
139S89.9Confident88.6Confident10 Ų1053 Ų537%0.0729%0.29CS..Hα-helixtrans-67.8-35.8176.3-61.10000112.1N132 D136 I137 L143N132-S139 WeakPolarHBondContact CB-OG 3.19Å; N132-S139 PolarHBondContact ND2-OG 2.89Å; N132-S139 VanDerWaalsContact ND2-OG 3.09Å; D136-S139 WeakPolarHBondContact O-CB 3.47Å; D136-S139 PolarHBondContact O-N 3.48Å; D136-S139 VanDerWaalsContact O-N 3.12Å; D136-S139 PolarHBondContact OD2-N 3.29Å; D136-S139 PolarHBondContact OD2-OG 2.89Å; I137-S139 PolarHBondContact O-N 2.92Å; S139-L143 WeakPolarHBondContact O-CB 3.35Å; S139-L143 VanDerWaalsContact O-CG 3.25Å; S139-L143 WeakPolarHBondContact O-CG 3.15Å; S139-L143 PolarHBondContact O-N 3.22Å
140I92.8Very high88.8Confident24 Ų2457.1 Ų57.112%0.12331%0.309CS..Hα-helixtrans-64.6-44.6172.8-61.8172.4000110.6D136 I137 L143 G144 H159 Q162 A163D136-I140 PolarHBondContact O-N 2.94Å; I137-I140 WeakPolarHBondContact O-CB 3.21Å; I137-I140 PolarHBondContact O-N 3.31Å; I140-L143 PolarHBondContact O-N 3.39Å; I140-G144 PolarHBondContact O-N 3.42Å; I140-H159 HydrophobicContact CG2-CB 4.36Å; I140-H159 WeakPolarHBondContact CG2-O 3.47Å; I140-Q162 HydrophobicContact CD1-CG 4.46Å; I140-Q162 HydrophobicContact CG2-CB 4.3Å; I140-Q162 HydrophobicContact CG2-CG 4.39Å; I140-A163 HydrophobicContact CG2-CB 4.29Å
141I94.8Very high89.1Confident24 Ų2453.2 Ų53.212%0.12330%0.3CS..Hα-helixtrans-63.3-48.4179-63.2166.7000110.2I137 D138 L143 G144 C145 F160 A163 L173I137-I141 HydrophobicContact CG2-CD1 3.85Å; I137-I141 HydrophobicContact CG2-CG1 4.4Å; I137-I141 WeakPolarHBondContact O-CG1 3.47Å; I137-I141 PolarHBondContact O-N 3.39Å; D138-I141 PolarHBondContact O-N 3.06Å; I141-L143 VanDerWaalsContact C-N 3.32Å; I141-L143 PolarHBondContact O-N 3.45Å; I141-G144 WeakPolarHBondContact O-CA 3.38Å; I141-G144 PolarHBondContact O-N 3.48Å; I141-C145 PolarHBondContact O-N 3.21Å; I141-C145 PolarHBondContact O-SG 3.44Å; I141-F160 HydrophobicContact CG2-CE1 4.33Å; I141-F160 WeakPolarHBondContact O-CE1 3.31Å; I141-A163 HydrophobicContact CD1-CB 4.26Å; I141-A163 HydrophobicContact CG1-CB 3.58Å; I141-L173 HydrophobicContact CB-CD2 4.34Å; I141-L173 HydrophobicContact CD1-CD1 3.94Å; I141-L173 HydrophobicContact CD1-CD2 3.82Å; I141-L173 HydrophobicContact CD1-CG 4.37Å; I141-L173 HydrophobicContact CG1-CD1 4.36Å; I141-L173 HydrophobicContact CG1-CD2 3.7Å; I141-L173 HydrophobicContact CG2-CD2 3.73Å
142N94.2Very high89.6Confident47 Ų4749 Ų4925%0.25128%0.281SS..Hα-helixtrans-62.4-37.5179.5-70.9-23.6000112.3V129 D138 G144 C145 L146V129-N142 HydrophobicContact CG1-CB 4.01Å; V129-N142 HydrophobicContact CG2-CB 3.83Å; D138-N142 VanDerWaalsContact O-CB 3.32Å; D138-N142 WeakPolarHBondContact O-CB 3.29Å; D138-N142 PolarHBondContact O-N 3.32Å; D138-N142 PolarHBondContact O-ND2 3.42Å; N142-G144 VanDerWaalsContact C-N 3.32Å; N142-G144 PolarHBondContact O-N 2.87Å; N142-C145 PolarHBondContact O-N 3.15Å; N142-L146 WeakPolarHBondContact O-CG 3.26Å; N142-L146 PolarHBondContact O-N 3.14Å
143L93.9Very high90.5Very high34 Ų3451.1 Ų51.118%0.17829%0.288CS..Hα-helixtrans-61.3-40.4170.5-75172.5000111.8V129 E130 S139 I140 I141 L146 F147V129-L143 HydrophobicContact CG1-CD2 3.98Å; V129-L143 HydrophobicContact CG1-CG 3.77Å; E130-L143 HydrophobicContact CG-CD2 4.29Å; S139-L143 WeakPolarHBondContact O-CB 3.35Å; S139-L143 VanDerWaalsContact O-CG 3.25Å; S139-L143 WeakPolarHBondContact O-CG 3.15Å; S139-L143 PolarHBondContact O-N 3.22Å; I140-L143 PolarHBondContact O-N 3.39Å; I141-L143 VanDerWaalsContact C-N 3.32Å; I141-L143 PolarHBondContact O-N 3.45Å; L143-L146 HydrophobicContact CD2-CD1 4.39Å; L143-L146 PolarHBondContact O-N 3.21Å; L143-F147 HydrophobicContact CB-CE2 4.49Å; L143-F147 WeakPolarHBondContact O-CD2 3.3Å; L143-F147 PolarHBondContact O-N 3.28Å
144G96Very high91.8Very high0 Ų053.1 Ų53.10%029%0.288CS..Hα-helixtrans-57.9-46.3172.300000112.6I140 I141 N142 L146 F147 Y148 A156I140-G144 PolarHBondContact O-N 3.42Å; I141-G144 WeakPolarHBondContact O-CA 3.38Å; I141-G144 PolarHBondContact O-N 3.48Å; N142-G144 VanDerWaalsContact C-N 3.32Å; N142-G144 PolarHBondContact O-N 2.87Å; G144-L146 VanDerWaalsContact C-N 3.33Å; G144-L146 PolarHBondContact O-N 3.24Å; G144-F147 PolarHBondContact O-N 3.24Å; G144-Y148 WeakPolarHBondContact O-CB 3.35Å; G144-Y148 PolarHBondContact O-N 2.99Å; G144-A156 WeakPolarHBondContact O-CB 3.4Å
145C97.2Very high93.4Very high27 Ų2750.2 Ų50.218%0.18226%0.262CS..Hα-helixtrans-62.4-37.8176.8-63.80000112.8Y117 I141 N142 Y148 R149Y117-C145 HydrophobicContact CE2-CB 4.07Å; Y117-C145 WeakPolarHBondContact CE2-O 3.28Å; Y117-C145 PolarHBondContact OH-O 3.22Å; I141-C145 PolarHBondContact O-N 3.21Å; I141-C145 PolarHBondContact O-SG 3.44Å; N142-C145 PolarHBondContact O-N 3.15Å; C145-Y148 PolarHBondContact O-N 3.31Å; C145-R149 PolarHBondContact O-N 2.81Å; C145-R149 VanDerWaalsContact O-N 3.11Å
146L96.5Very high94.7Very high1 Ų147.1 Ų47.11%0.00523%0.23CC..Hα-helixtrans-65.2-49.7174.9-74.6165.3000111.4Y117 L122 R126 V129 N142 L143 G144 Y148 R149 E150Y117-L146 HydrophobicContact CD2-CD2 3.84Å; Y117-L146 HydrophobicContact CD2-CG 4.36Å; Y117-L146 HydrophobicContact CE2-CD2 4.23Å; L122-L146 HydrophobicContact CB-CD2 4.26Å; L122-L146 HydrophobicContact CD2-CD2 4.31Å; R126-L146 HydrophobicContact CB-CD1 3.93Å; R126-L146 HydrophobicContact CG-CD1 4.47Å; V129-L146 HydrophobicContact CG2-CD1 4.34Å; N142-L146 WeakPolarHBondContact O-CG 3.26Å; N142-L146 PolarHBondContact O-N 3.14Å; L143-L146 HydrophobicContact CD2-CD1 4.39Å; L143-L146 PolarHBondContact O-N 3.21Å; G144-L146 VanDerWaalsContact C-N 3.33Å; G144-L146 PolarHBondContact O-N 3.24Å; L146-Y148 VanDerWaalsContact C-N 3.25Å; L146-Y148 PolarHBondContact O-N 3.42Å; L146-R149 PolarHBondContact O-N 2.73Å; L146-R149 VanDerWaalsContact O-N 3.15Å; L146-E150 WeakPolarHBondContact O-CG 3.38Å; L146-E150 PolarHBondContact O-N 3.15Å
147F97.7Very high95.4Very high31 Ų3146 Ų4614%0.13623%0.225CC..Hα-helixtrans-60.1-36.8176.5-76-56.8000112.5L143 G144 E150 G151 D152 K155 A156 H159L143-F147 HydrophobicContact CB-CE2 4.49Å; L143-F147 WeakPolarHBondContact O-CD2 3.3Å; L143-F147 PolarHBondContact O-N 3.28Å; G144-F147 PolarHBondContact O-N 3.24Å; F147-E150 PolarHBondContact O-N 3.39Å; F147-G151 PolarHBondContact O-N 3.48Å; F147-D152 HydrophobicContact CB-CB 4.5Å; F147-D152 HydrophobicContact CD1-CB 4.35Å; F147-D152 CarbonylContact O-C 3.47Å; F147-D152 PolarHBondContact O-N 3.42Å; F147-K155 HydrophobicContact CB-CB 4.26Å; F147-K155 HydrophobicContact CD1-CB 4.16Å; F147-K155 HydrophobicContact CD1-CD 4.15Å; F147-K155 HydrophobicContact CD2-CB 4.11Å; F147-K155 HydrophobicContact CE1-CD 3.87Å; F147-K155 HydrophobicContact CG-CB 3.92Å; F147-K155 HydrophobicContact CZ-CD 4.11Å; F147-A156 HydrophobicContact CB-CB 3.93Å; F147-H159 AromaticContact CD2-CD2 3.52Å; F147-H159 AromaticContact CD2-NE2 3.85Å; F147-H159 AromaticContact CE2-CD2 3.54Å; F147-H159 AromaticContact CE2-NE2 3.32Å; F147-H159 VanDerWaalsContact CE2-NE2 3.32Å; F147-H159 WeakPolarHBondContact CE2-NE2 3.4Å
148Y97.9Very high95.8Very high46 Ų4649.4 Ų49.418%0.1824%0.24CC..Hα-helixtrans-61.5-47.7175.7-177-87.3000111.1G144 C145 L146 E150 G151 Y153 L179 Q183G144-Y148 WeakPolarHBondContact O-CB 3.35Å; G144-Y148 PolarHBondContact O-N 2.99Å; C145-Y148 PolarHBondContact O-N 3.31Å; L146-Y148 VanDerWaalsContact C-N 3.25Å; L146-Y148 PolarHBondContact O-N 3.42Å; Y148-E150 VanDerWaalsContact C-N 3.27Å; Y148-E150 PolarHBondContact O-N 3.42Å; Y148-G151 PolarHBondContact O-N 3.41Å; Y148-Y153 AromaticContact CD2-CD1 3.75Å; Y148-Y153 HydrophobicContact CD2-CD1 3.75Å; Y148-Y153 HydrophobicContact CD2-CE1 4.19Å; Y148-Y153 AromaticContact CE2-CD1 3.85Å; Y148-Y153 HydrophobicContact CE2-CD1 3.85Å; Y148-Y153 HydrophobicContact CE2-CE1 4.07Å; Y148-Y153 HydrophobicContact CG-CD1 4.37Å; Y148-Y153 WeakPolarHBondContact O-CE1 3.22Å; Y148-L179 HydrophobicContact CE1-CD2 4.19Å; Y148-L179 HydrophobicContact CE2-CB 4.49Å; Y148-L179 HydrophobicContact CE2-CD2 3.97Å; Y148-L179 HydrophobicContact CE2-CG 3.75Å; Y148-L179 WeakPolarHBondContact OH-CD1 3.33Å; Y148-L179 WeakPolarHBondContact OH-CD2 3.42Å; Y148-L179 WeakPolarHBondContact OH-CG 3.46Å; Y148-Q183 HydrophobicContact CE2-CG 3.74Å; Y148-Q183 WeakPolarHBondContact OH-CG 3.47Å; Y148-Q183 PolarHBondContact OH-NE2 3.42Å
149R95Very high96.1Very high137 Ų13748 Ų4852%0.51723%0.231SC..Hα-helixtrans-70.4-24.1-179.2-162.7149168.296.5-8.2113.1Y117 L122 C145 L146 G151Y117-R149 HydrophobicContact CE2-CB 4.09Å; L122-R149 HydrophobicContact CD1-CB 4.36Å; L122-R149 HydrophobicContact CD1-CG 4.09Å; L122-R149 HydrophobicContact CD2-CB 4.31Å; L122-R149 HydrophobicContact CD2-CG 3.95Å; C145-R149 PolarHBondContact O-N 2.81Å; C145-R149 VanDerWaalsContact O-N 3.11Å; L146-R149 PolarHBondContact O-N 2.73Å; L146-R149 VanDerWaalsContact O-N 3.15Å; R149-G151 VanDerWaalsContact C-N 3.27Å
150E95.2Very high96.5Very high90 Ų9047.6 Ų47.642%0.42123%0.228SC..THydrogen-bonded Turntrans-78.3-7.5170.1-69.6168.6177.900113.3L122 R126 L146 F147 Y148L122-E150 HydrophobicContact CD1-CG 4.22Å; R126-E150 IonicContact CZ-OE1 2.69Å; R126-E150 IonicContact NE-OE1 2.94Å; R126-E150 PolarHBondContact NE-OE1 3.02Å; R126-E150 IonicContact NH2-OE1 2.71Å; R126-E150 PolarHBondContact NH2-OE1 3.14Å; R126-E150 IonicContact NH2-OE2 3.12Å; R126-E150 PolarHBondContact NH2-OE2 2.9Å; L146-E150 WeakPolarHBondContact O-CG 3.38Å; L146-E150 PolarHBondContact O-N 3.15Å; F147-E150 PolarHBondContact O-N 3.39Å; Y148-E150 VanDerWaalsContact C-N 3.27Å; Y148-E150 PolarHBondContact O-N 3.42Å
151G95.5Very high96.7Very high34 Ų3448.9 Ų48.935%0.35123%0.233SC..THydrogen-bonded Turntrans85.12.2-179.400000115.1F147 Y148 R149 Y153F147-G151 PolarHBondContact O-N 3.48Å; Y148-G151 PolarHBondContact O-N 3.41Å; R149-G151 VanDerWaalsContact C-N 3.27Å; G151-Y153 VanDerWaalsContact C-N 3.26Å; G151-Y153 WeakPolarHBondContact O-CD2 3.4Å; G151-Y153 WeakPolarHBondContact O-CE2 3.28Å; G151-Y153 PolarHBondContact O-N 3.43Å
152D97.5Very high96.7Very high46 Ų4652.1 Ų52.125%0.24625%0.248CC..  trans-85.469.4173.8-165.7-21.9000110.3F147 Q154 K155 A156F147-D152 HydrophobicContact CB-CB 4.5Å; F147-D152 HydrophobicContact CD1-CB 4.35Å; F147-D152 CarbonylContact O-C 3.47Å; F147-D152 PolarHBondContact O-N 3.42Å; D152-Q154 PolarHBondContact O-N 2.88Å; D152-K155 HydrophobicContact CB-CB 4.48Å; D152-K155 PolarHBondContact O-N 3.28Å; D152-K155 WeakPolarHBondContact OD1-CG 3.41Å; D152-K155 PolarHBondContact OD1-N 2.89Å; D152-K155 VanDerWaalsContact OD1-N 3.09Å; D152-K155 WeakPolarHBondContact OD2-CD 3.38Å; D152-K155 VanDerWaalsContact OD2-CE 3.28Å; D152-K155 WeakPolarHBondContact OD2-CE 3.39Å; D152-K155 WeakPolarHBondContact OD2-CG 3.4Å; D152-K155 IonicContact OD2-NZ 3.24Å; D152-K155 PolarHBondContact OD2-NZ 2.9Å; D152-A156 WeakPolarHBondContact O-CB 3.46Å; D152-A156 PolarHBondContact O-N 3.48Å
153Y98.4Very high96.7Very high68 Ų6849.9 Ų49.927%0.26724%0.236SC..Hα-helixtrans-61.7-26.6-176.3-49.6-55.8000113.2Y148 G151 C157 Q183 M184Y148-Y153 AromaticContact CD2-CD1 3.75Å; Y148-Y153 HydrophobicContact CD2-CD1 3.75Å; Y148-Y153 HydrophobicContact CD2-CE1 4.19Å; Y148-Y153 AromaticContact CE2-CD1 3.85Å; Y148-Y153 HydrophobicContact CE2-CD1 3.85Å; Y148-Y153 HydrophobicContact CE2-CE1 4.07Å; Y148-Y153 HydrophobicContact CG-CD1 4.37Å; Y148-Y153 WeakPolarHBondContact O-CE1 3.22Å; G151-Y153 VanDerWaalsContact C-N 3.26Å; G151-Y153 WeakPolarHBondContact O-CD2 3.4Å; G151-Y153 WeakPolarHBondContact O-CE2 3.28Å; G151-Y153 PolarHBondContact O-N 3.43Å; Y153-C157 VanDerWaalsContact O-CB 3.24Å; Y153-C157 WeakPolarHBondContact O-CB 3.39Å; Y153-C157 PolarHBondContact O-N 3.12Å; Y153-Q183 HydrophobicContact CD1-CB 3.71Å; Y153-Q183 HydrophobicContact CD1-CG 4Å; Y153-Q183 HydrophobicContact CD2-CB 3.63Å; Y153-Q183 HydrophobicContact CE1-CB 3.75Å; Y153-Q183 HydrophobicContact CE1-CG 3.73Å; Y153-Q183 HydrophobicContact CE2-CB 3.67Å; Y153-Q183 HydrophobicContact CE2-CG 4.4Å; Y153-Q183 HydrophobicContact CG-CB 3.65Å; Y153-Q183 HydrophobicContact CG-CG 4.45Å; Y153-M184 HydrophobicContact CD2-CG 4.47Å
154Q97.8Very high96.8Very high129 Ų12950 Ų5060%0.60324%0.236SC*.Hα-helixtrans-69-49.9177.7-71.3179.2-0.800111D152 C157 Q158 M184D152-Q154 PolarHBondContact O-N 2.88Å; Q154-C157 PolarHBondContact O-N 3.37Å; Q154-Q158 WeakPolarHBondContact O-CG 3.4Å; Q154-Q158 PolarHBondContact O-N 3.32Å; Q154-Q158 VanDerWaalsContact O-N 3.08Å; Q154-M184 HydrophobicContact CG-SD 3.52Å; Q154-M184 VanDerWaalsContact CG-SD 3.52Å
155K97.5Very high96.7Very high91 Ų9157.8 Ų57.840%0.39627%0.273SS..Hα-helixtrans-65.8-40.6175.1-72-168.3-165.3120.80111.9F147 D152 C157 Q158 H159F147-K155 HydrophobicContact CB-CB 4.26Å; F147-K155 HydrophobicContact CD1-CB 4.16Å; F147-K155 HydrophobicContact CD1-CD 4.15Å; F147-K155 HydrophobicContact CD2-CB 4.11Å; F147-K155 HydrophobicContact CE1-CD 3.87Å; F147-K155 HydrophobicContact CG-CB 3.92Å; F147-K155 HydrophobicContact CZ-CD 4.11Å; D152-K155 HydrophobicContact CB-CB 4.48Å; D152-K155 PolarHBondContact O-N 3.28Å; D152-K155 WeakPolarHBondContact OD1-CG 3.41Å; D152-K155 PolarHBondContact OD1-N 2.89Å; D152-K155 VanDerWaalsContact OD1-N 3.09Å; D152-K155 WeakPolarHBondContact OD2-CD 3.38Å; D152-K155 VanDerWaalsContact OD2-CE 3.28Å; D152-K155 WeakPolarHBondContact OD2-CE 3.39Å; D152-K155 WeakPolarHBondContact OD2-CG 3.4Å; D152-K155 IonicContact OD2-NZ 3.24Å; D152-K155 PolarHBondContact OD2-NZ 2.9Å; K155-C157 VanDerWaalsContact C-N 3.29Å; K155-C157 PolarHBondContact O-N 2.9Å; K155-Q158 WeakPolarHBondContact O-CB 3.4Å; K155-Q158 PolarHBondContact O-N 2.71Å; K155-Q158 VanDerWaalsContact O-N 3.13Å; K155-H159 PolarHBondContact O-CD2 3.03Å; K155-H159 VanDerWaalsContact O-CD2 3.29Å; K155-H159 PolarHBondContact O-N 2.71Å
156A98.3Very high96.5Very high0 Ų060.7 Ų60.70%029%0.29CS..Hα-helixtrans-53.6-49.717500000111.2G144 F147 D152 Q158 H159 F160G144-A156 WeakPolarHBondContact O-CB 3.4Å; F147-A156 HydrophobicContact CB-CB 3.93Å; D152-A156 WeakPolarHBondContact O-CB 3.46Å; D152-A156 PolarHBondContact O-N 3.48Å; A156-Q158 PolarHBondContact O-N 2.96Å; A156-H159 PolarHBondContact O-N 3.19Å; A156-F160 HydrophobicContact CB-CE2 4.1Å; A156-F160 WeakPolarHBondContact O-CD2 3.21Å; A156-F160 WeakPolarHBondContact O-CG 3.42Å; A156-F160 PolarHBondContact O-N 3.11Å
157C98.2Very high96.4Very high6 Ų662.9 Ų62.94%0.04130%0.303CS..Hα-helixtrans-58.5-43.9176.4-168.60000112.6Y153 Q154 K155 H159 F160 Q161 C180Y153-C157 VanDerWaalsContact O-CB 3.24Å; Y153-C157 WeakPolarHBondContact O-CB 3.39Å; Y153-C157 PolarHBondContact O-N 3.12Å; Q154-C157 PolarHBondContact O-N 3.37Å; K155-C157 VanDerWaalsContact C-N 3.29Å; K155-C157 PolarHBondContact O-N 2.9Å; C157-H159 PolarHBondContact O-N 3.34Å; C157-F160 PolarHBondContact O-N 2.69Å; C157-Q161 WeakPolarHBondContact O-CB 2.99Å; C157-Q161 VanDerWaalsContact O-CG 3.25Å; C157-Q161 WeakPolarHBondContact O-CG 3.29Å; C157-Q161 PolarHBondContact O-N 3.46Å; C157-C180 HydrophobicContact CB-CB 3.77Å
158Q97.4Very high96.2Very high122 Ų12263 Ų6357%0.5731%0.314SS*.Hα-helixtrans-60.3-43.6177-71171.83.800112.3Q154 K155 A156 Q161 Q162Q154-Q158 WeakPolarHBondContact O-CG 3.4Å; Q154-Q158 PolarHBondContact O-N 3.32Å; Q154-Q158 VanDerWaalsContact O-N 3.08Å; K155-Q158 WeakPolarHBondContact O-CB 3.4Å; K155-Q158 PolarHBondContact O-N 2.71Å; K155-Q158 VanDerWaalsContact O-N 3.13Å; A156-Q158 PolarHBondContact O-N 2.96Å; Q158-Q161 PolarHBondContact O-N 3.37Å; Q158-Q162 WeakPolarHBondContact O-CB 3.49Å; Q158-Q162 PolarHBondContact O-N 2.94Å
159H96.5Very high96.1Very high40 Ų4064.7 Ų64.719%0.18532%0.32CS..Hα-helixtrans-64.9-43.6177.7-83.8-78.9000112.1I140 F147 K155 A156 C157 Q162 A163I140-H159 HydrophobicContact CG2-CB 4.36Å; I140-H159 WeakPolarHBondContact CG2-O 3.47Å; F147-H159 AromaticContact CD2-CD2 3.52Å; F147-H159 AromaticContact CD2-NE2 3.85Å; F147-H159 AromaticContact CE2-CD2 3.54Å; F147-H159 AromaticContact CE2-NE2 3.32Å; F147-H159 VanDerWaalsContact CE2-NE2 3.32Å; F147-H159 WeakPolarHBondContact CE2-NE2 3.4Å; K155-H159 PolarHBondContact O-CD2 3.03Å; K155-H159 VanDerWaalsContact O-CD2 3.29Å; K155-H159 PolarHBondContact O-N 2.71Å; A156-H159 PolarHBondContact O-N 3.19Å; C157-H159 PolarHBondContact O-N 3.34Å; H159-Q162 WeakPolarHBondContact O-CB 3.37Å; H159-Q162 PolarHBondContact O-N 3.26Å; H159-A163 PolarHBondContact O-N 2.99Å
160F97.9Very high96.1Very high3 Ų362.1 Ų62.11%0.01331%0.314CS..Hα-helixtrans-65.7-38.6175.4-59.6-44.8000112.4I141 A156 C157 Q162 A163 I164 L173 N176 I177I141-F160 HydrophobicContact CG2-CE1 4.33Å; I141-F160 WeakPolarHBondContact O-CE1 3.31Å; A156-F160 HydrophobicContact CB-CE2 4.1Å; A156-F160 WeakPolarHBondContact O-CD2 3.21Å; A156-F160 WeakPolarHBondContact O-CG 3.42Å; A156-F160 PolarHBondContact O-N 3.11Å; C157-F160 PolarHBondContact O-N 2.69Å; F160-Q162 VanDerWaalsContact C-N 3.32Å; F160-Q162 PolarHBondContact O-N 2.97Å; F160-A163 PolarHBondContact O-N 2.83Å; F160-I164 PolarHBondContact O-N 3.38Å; F160-L173 HydrophobicContact CD1-CD2 4.26Å; F160-N176 HydrophobicContact CD1-CB 4.25Å; F160-N176 HydrophobicContact CD2-CB 3.77Å; F160-N176 HydrophobicContact CE1-CB 4.17Å; F160-N176 HydrophobicContact CE2-CB 3.7Å; F160-N176 HydrophobicContact CG-CB 4.06Å; F160-N176 HydrophobicContact CZ-CB 3.9Å; F160-I177 HydrophobicContact CB-CD1 4.17Å; F160-I177 HydrophobicContact CB-CG1 3.52Å
161Q96.6Very high96.2Very high51 Ų5158.5 Ų58.524%0.23830%0.3CS..Hα-helixtrans-65.8-33.6174-75.3176.2-14.400112.6C157 Q158 I164 Q165 I177 Y181C157-Q161 WeakPolarHBondContact O-CB 2.99Å; C157-Q161 VanDerWaalsContact O-CG 3.25Å; C157-Q161 WeakPolarHBondContact O-CG 3.29Å; C157-Q161 PolarHBondContact O-N 3.46Å; Q158-Q161 PolarHBondContact O-N 3.37Å; Q161-I164 WeakPolarHBondContact O-CG2 3.36Å; Q161-Q165 WeakPolarHBondContact O-CG 3.3Å; Q161-Q165 PolarHBondContact O-N 3.03Å; Q161-I177 HydrophobicContact CG-CD1 3.97Å; Q161-I177 HydrophobicContact CG-CG1 4.33Å; Q161-Y181 PolarHBondContact NE2-OH 3.38Å
162Q95.1Very high96.3Very high92 Ų9260.7 Ų60.743%0.4330%0.301SS..Hα-helixtrans-68-41.7172.7-176.4-176.5-1.100111.4I140 Q158 H159 F160 T166I140-Q162 HydrophobicContact CD1-CG 4.46Å; I140-Q162 HydrophobicContact CG2-CB 4.3Å; I140-Q162 HydrophobicContact CG2-CG 4.39Å; Q158-Q162 WeakPolarHBondContact O-CB 3.49Å; Q158-Q162 PolarHBondContact O-N 2.94Å; H159-Q162 WeakPolarHBondContact O-CB 3.37Å; H159-Q162 PolarHBondContact O-N 3.26Å; F160-Q162 VanDerWaalsContact C-N 3.32Å; F160-Q162 PolarHBondContact O-N 2.97Å; Q162-T166 PolarHBondContact O-N 3.19Å; Q162-T166 PolarHBondContact O-OG1 2.66Å; Q162-T166 VanDerWaalsContact O-OG1 3.05Å
163A95.3Very high96.3Very high0 Ų058.7 Ų58.70%029%0.29CS..Hα-helixtrans-62.1-50.8177.300000111.2I140 I141 H159 F160 Q165 T166 T167 L173I140-A163 HydrophobicContact CG2-CB 4.29Å; I141-A163 HydrophobicContact CD1-CB 4.26Å; I141-A163 HydrophobicContact CG1-CB 3.58Å; H159-A163 PolarHBondContact O-N 2.99Å; F160-A163 PolarHBondContact O-N 2.83Å; A163-Q165 VanDerWaalsContact C-N 3.29Å; A163-Q165 PolarHBondContact O-N 3.35Å; A163-T166 WeakPolarHBondContact O-CB 3.48Å; A163-T166 PolarHBondContact O-N 3.35Å; A163-T167 PolarHBondContact O-N 3.05Å; A163-T167 PolarHBondContact O-OG1 2.98Å; A163-T167 VanDerWaalsContact O-OG1 3.06Å; A163-L173 HydrophobicContact CB-CD1 4.04Å
164I95.6Very high96.3Very high36 Ų3655.5 Ų55.519%0.18528%0.278CS..Hα-helixtrans-63.6-31.9-178.6-155.4174.8000112.9F160 Q161 T166 G168 T174 I177F160-I164 PolarHBondContact O-N 3.38Å; Q161-I164 WeakPolarHBondContact O-CG2 3.36Å; I164-T166 PolarHBondContact O-N 2.79Å; I164-G168 WeakPolarHBondContact CG1-O 3.36Å; I164-G168 CarbonylContact O-C 3.55Å; I164-G168 VanDerWaalsContact O-CA 3.29Å; I164-G168 WeakPolarHBondContact O-CA 3.25Å; I164-G168 PolarHBondContact O-N 2.74Å; I164-T174 WeakPolarHBondContact CD1-OG1 3.33Å; I164-I177 HydrophobicContact CD1-CD1 4.27Å; I164-I177 HydrophobicContact CG2-CD1 4.11Å
165Q94.3Very high96.3Very high163 Ų16351.3 Ų51.376%0.76226%0.257SS*.Hα-helixtrans-64.5-28.9173.3-78.2173.719.500112.7Q161 A163Q161-Q165 WeakPolarHBondContact O-CG 3.3Å; Q161-Q165 PolarHBondContact O-N 3.03Å; A163-Q165 VanDerWaalsContact C-N 3.29Å; A163-Q165 PolarHBondContact O-N 3.35Å
166T92.7Very high96.3Very high89 Ų8948.7 Ų48.755%0.54625%0.247SC..Hα-helixtrans-90.4-40.4-177.8-510000111.5I137 Q162 A163 I164I137-T166 HydrophobicContact CD1-CG2 3.65Å; I137-T166 HydrophobicContact CG1-CG2 4.05Å; Q162-T166 PolarHBondContact O-N 3.19Å; Q162-T166 PolarHBondContact O-OG1 2.66Å; Q162-T166 VanDerWaalsContact O-OG1 3.05Å; A163-T166 WeakPolarHBondContact O-CB 3.48Å; A163-T166 PolarHBondContact O-N 3.35Å; I164-T166 PolarHBondContact O-N 2.79Å
167T93.3Very high96.3Very high46 Ų4648.8 Ų48.828%0.28225%0.247SC..Hα-helixtrans-88.3-21.3-176.854.60000114.3I137 A163I137-T167 HydrophobicContact CD1-CG2 3.83Å; I137-T167 HydrophobicContact CG2-CG2 3.5Å; I137-T167 VanDerWaalsContact CG2-CG2 3.5Å; A163-T167 PolarHBondContact O-N 3.05Å; A163-T167 PolarHBondContact O-OG1 2.98Å; A163-T167 VanDerWaalsContact O-OG1 3.06Å
168G94Very high96.4Very high35 Ų3548.5 Ų48.536%0.36125%0.245SC..  trans77.9-174.2-160.100000112I164 Q170I164-G168 WeakPolarHBondContact CG1-O 3.36Å; I164-G168 CarbonylContact O-C 3.55Å; I164-G168 VanDerWaalsContact O-CA 3.29Å; I164-G168 WeakPolarHBondContact O-CA 3.25Å; I164-G168 PolarHBondContact O-N 2.74Å; G168-Q170 PolarHBondContact O-N 2.96Å
169Y95.4Very high96.4Very high80 Ų8044 Ų4431%0.31423%0.225SC..  trans-56.7130.9-176.9176.2-88.1000112.1A171 T174 I197 H200Y169-A171 HydrophobicContact CE1-CB 4.35Å; Y169-T174 HydrophobicContact CE2-CG2 4.21Å; Y169-I197 WeakPolarHBondContact OH-CA 3.38Å; Y169-H200 AromaticContact CD1-CD2 3.6Å; Y169-H200 AromaticContact CD2-CE1 3.98Å; Y169-H200 AromaticContact CD2-NE2 3.94Å; Y169-H200 HydrophobicContact CE1-CB 3.85Å; Y169-H200 AromaticContact CE1-CD2 3.37Å; Y169-H200 WeakPolarHBondContact CE1-CD2 3.37Å; Y169-H200 AromaticContact CE1-CG 3.6Å; Y169-H200 HydrophobicContact CE2-CB 4.45Å; Y169-H200 AromaticContact CE2-CD2 3.9Å; Y169-H200 AromaticContact CE2-CE1 3.8Å; Y169-H200 AromaticContact CE2-CG 3.76Å; Y169-H200 AromaticContact CE2-ND1 3.67Å; Y169-H200 AromaticContact CG-CD2 3.99Å; Y169-H200 AromaticContact CG-NE2 3.95Å; Y169-H200 AromaticContact CZ-CD2 3.53Å; Y169-H200 AromaticContact CZ-CG 3.31Å; Y169-H200 AromaticContact CZ-ND1 3.72Å; Y169-H200 WeakPolarHBondContact OH-CB 3.46Å
170Q95.6Very high96.5Very high83 Ų8342 Ų4239%0.38822%0.216SC..  trans-144.1124.1169.6-64.8-174.26.300108.5G168 Q172 L173 T174G168-Q170 PolarHBondContact O-N 2.96Å; Q170-Q172 VanDerWaalsContact C-N 3.33Å; Q170-Q172 PolarHBondContact O-N 3.01Å; Q170-L173 HydrophobicContact CB-CB 4.21Å; Q170-L173 HydrophobicContact CB-CD1 4.19Å; Q170-L173 HydrophobicContact CB-CG 4.24Å; Q170-L173 HydrophobicContact CG-CD1 4.41Å; Q170-L173 PolarHBondContact O-N 3.12Å; Q170-L173 VanDerWaalsContact O-N 3.08Å; Q170-T174 PolarHBondContact O-N 3.1Å; Q170-T174 PolarHBondContact O-OG1 3.37Å
171A97.9Very high96.6Very high14 Ų1443.5 Ų43.512%0.11622%0.222CC..Hα-helixtrans-57.9-42.4-171.500000113.1Y169 L173 T174 Y175 I197 T231 A232Y169-A171 HydrophobicContact CE1-CB 4.35Å; A171-L173 PolarHBondContact O-N 2.81Å; A171-T174 PolarHBondContact O-N 3.31Å; A171-Y175 WeakPolarHBondContact O-CB 3.39Å; A171-Y175 PolarHBondContact O-N 3.5Å; A171-I197 HydrophobicContact CB-CG2 4.31Å; A171-T231 VanDerWaalsContact CB-O 3.26Å; A171-T231 WeakPolarHBondContact CB-O 3.35Å; A171-A232 HydrophobicContact CB-CB 4.25Å
172Q96.6Very high96.6Very high80 Ų8043.4 Ų43.437%0.37422%0.22SC..Hα-helixtrans-63.9-38.2177.3-66-174.4-12.200113.3Q170 Y175 N176 H229 A232Q170-Q172 VanDerWaalsContact C-N 3.33Å; Q170-Q172 PolarHBondContact O-N 3.01Å; Q172-Y175 PolarHBondContact O-N 3.38Å; Q172-N176 VanDerWaalsContact O-CG 3.26Å; Q172-N176 PolarHBondContact O-N 3.07Å; Q172-N176 PolarHBondContact O-ND2 3.49Å; Q172-H229 PolarHBondContact NE2-NE2 3.18Å; Q172-H229 PolarHBondContact NE2-O 3.02Å; Q172-A232 HydrophobicContact CG-CB 4.21Å
173L97Very high96.8Very high5 Ų542.5 Ų42.53%0.02622%0.215CC..Hα-helixtrans-70.4-41.9174.8-70.6-180000111.7I141 F160 A163 Q170 A171 Y175 N176 I177I141-L173 HydrophobicContact CB-CD2 4.34Å; I141-L173 HydrophobicContact CD1-CD1 3.94Å; I141-L173 HydrophobicContact CD1-CD2 3.82Å; I141-L173 HydrophobicContact CD1-CG 4.37Å; I141-L173 HydrophobicContact CG1-CD1 4.36Å; I141-L173 HydrophobicContact CG1-CD2 3.7Å; I141-L173 HydrophobicContact CG2-CD2 3.73Å; F160-L173 HydrophobicContact CD1-CD2 4.26Å; A163-L173 HydrophobicContact CB-CD1 4.04Å; Q170-L173 HydrophobicContact CB-CB 4.21Å; Q170-L173 HydrophobicContact CB-CD1 4.19Å; Q170-L173 HydrophobicContact CB-CG 4.24Å; Q170-L173 HydrophobicContact CG-CD1 4.41Å; Q170-L173 PolarHBondContact O-N 3.12Å; Q170-L173 VanDerWaalsContact O-N 3.08Å; A171-L173 PolarHBondContact O-N 2.81Å; L173-Y175 VanDerWaalsContact C-N 3.27Å; L173-Y175 PolarHBondContact O-N 2.85Å; L173-N176 PolarHBondContact O-N 3.18Å; L173-I177 WeakPolarHBondContact O-CG1 3.32Å; L173-I177 PolarHBondContact O-N 3.31Å
174T98.4Very high96.8Very high0 Ų044.5 Ų44.50%023%0.225CC..Hα-helixtrans-59.7-40.9174.6-53.10000110.5I164 Y169 Q170 A171 I177 A178 Y193 I197I164-T174 WeakPolarHBondContact CD1-OG1 3.33Å; Y169-T174 HydrophobicContact CE2-CG2 4.21Å; Q170-T174 PolarHBondContact O-N 3.1Å; Q170-T174 PolarHBondContact O-OG1 3.37Å; A171-T174 PolarHBondContact O-N 3.31Å; T174-I177 PolarHBondContact O-N 2.74Å; T174-A178 PolarHBondContact O-N 3.22Å; T174-Y193 HydrophobicContact CG2-CD1 3.72Å; T174-Y193 HydrophobicContact CG2-CG 4.5Å; T174-I197 HydrophobicContact CG2-CD1 3.89Å; T174-I197 HydrophobicContact CG2-CG1 3.53Å
175Y98.6Very high96.8Very high42 Ų4250 Ų5017%0.16525%0.248CC..Hα-helixtrans-62.4-47.1173.8170.9-101.3000111.7A171 Q172 L173 I177 A178 L179 E235 L239A171-Y175 WeakPolarHBondContact O-CB 3.39Å; A171-Y175 PolarHBondContact O-N 3.5Å; Q172-Y175 PolarHBondContact O-N 3.38Å; L173-Y175 VanDerWaalsContact C-N 3.27Å; L173-Y175 PolarHBondContact O-N 2.85Å; Y175-I177 VanDerWaalsContact C-N 3.26Å; Y175-I177 PolarHBondContact O-N 3.39Å; Y175-A178 CarbonylContact O-C 3.49Å; Y175-A178 WeakPolarHBondContact O-CA 3.29Å; Y175-A178 WeakPolarHBondContact O-CB 3.42Å; Y175-A178 PolarHBondContact O-N 3.49Å; Y175-L179 HydrophobicContact CE1-CD2 4.06Å; Y175-L179 WeakPolarHBondContact O-CB 2.87Å; Y175-L179 PolarHBondContact O-N 3.04Å; Y175-E235 HydrophobicContact CD1-CB 4.38Å; Y175-E235 HydrophobicContact CD2-CB 4.01Å; Y175-E235 HydrophobicContact CE1-CB 3.96Å; Y175-E235 VanDerWaalsContact CE2-C 3.49Å; Y175-E235 HydrophobicContact CE2-CB 3.57Å; Y175-E235 WeakPolarHBondContact CE2-O 3.39Å; Y175-E235 HydrophobicContact CG-CB 4.4Å; Y175-L239 HydrophobicContact CD2-CD2 4.39Å; Y175-L239 HydrophobicContact CE2-CB 4.12Å; Y175-L239 HydrophobicContact CE2-CD2 3.91Å
176N98.3Very high97Very high36 Ų3646.2 Ų46.219%0.19323%0.23CC..Hα-helixtrans-59.6-36.8177.3-73-16.1000112.3F160 Q172 L173 L179 C180F160-N176 HydrophobicContact CD1-CB 4.25Å; F160-N176 HydrophobicContact CD2-CB 3.77Å; F160-N176 HydrophobicContact CE1-CB 4.17Å; F160-N176 HydrophobicContact CE2-CB 3.7Å; F160-N176 HydrophobicContact CG-CB 4.06Å; F160-N176 HydrophobicContact CZ-CB 3.9Å; Q172-N176 VanDerWaalsContact O-CG 3.26Å; Q172-N176 PolarHBondContact O-N 3.07Å; Q172-N176 PolarHBondContact O-ND2 3.49Å; L173-N176 PolarHBondContact O-N 3.18Å; N176-L179 PolarHBondContact O-N 3.33Å; N176-C180 PolarHBondContact O-N 3.5Å; N176-C180 PolarHBondContact O-SG 2.91Å
177I98.6Very high97.3Very high1 Ų144.4 Ų44.41%0.00521%0.213CC..Hα-helixtrans-64.8-47.1172.7-65.8166.5000110.7F160 Q161 I164 L173 T174 Y175 L179 C180 Y181 Y193F160-I177 HydrophobicContact CB-CD1 4.17Å; F160-I177 HydrophobicContact CB-CG1 3.52Å; Q161-I177 HydrophobicContact CG-CD1 3.97Å; Q161-I177 HydrophobicContact CG-CG1 4.33Å; I164-I177 HydrophobicContact CD1-CD1 4.27Å; I164-I177 HydrophobicContact CG2-CD1 4.11Å; L173-I177 WeakPolarHBondContact O-CG1 3.32Å; L173-I177 PolarHBondContact O-N 3.31Å; T174-I177 PolarHBondContact O-N 2.74Å; Y175-I177 VanDerWaalsContact C-N 3.26Å; Y175-I177 PolarHBondContact O-N 3.39Å; I177-L179 VanDerWaalsContact C-N 3.29Å; I177-L179 PolarHBondContact O-N 2.71Å; I177-C180 WeakPolarHBondContact O-CB 3.42Å; I177-C180 PolarHBondContact O-N 2.88Å; I177-Y181 HydrophobicContact CG2-CD2 3.89Å; I177-Y181 HydrophobicContact CG2-CE2 3.6Å; I177-Y181 VanDerWaalsContact O-CD2 3.25Å; I177-Y181 WeakPolarHBondContact O-CD2 3.48Å; I177-Y181 PolarHBondContact O-N 3.32Å; I177-Y181 VanDerWaalsContact O-N 3.12Å; I177-Y193 HydrophobicContact CB-CD1 4.45Å; I177-Y193 HydrophobicContact CB-CE1 4.39Å; I177-Y193 HydrophobicContact CD1-CE1 4.44Å; I177-Y193 HydrophobicContact CG2-CD1 4.03Å; I177-Y193 HydrophobicContact CG2-CD2 4.08Å; I177-Y193 HydrophobicContact CG2-CE1 3.69Å; I177-Y193 HydrophobicContact CG2-CE2 3.78Å; I177-Y193 HydrophobicContact CG2-CG 4.21Å
178A98.7Very high97.5Very high0 Ų045.7 Ų45.70%023%0.229CC..Hα-helixtrans-56.6-46.1176.100000111T174 Y175 C180 Y181 Y182 S190 I194 L239T174-A178 PolarHBondContact O-N 3.22Å; Y175-A178 CarbonylContact O-C 3.49Å; Y175-A178 WeakPolarHBondContact O-CA 3.29Å; Y175-A178 WeakPolarHBondContact O-CB 3.42Å; Y175-A178 PolarHBondContact O-N 3.49Å; A178-C180 VanDerWaalsContact C-N 3.34Å; A178-C180 PolarHBondContact O-N 2.86Å; A178-Y181 WeakPolarHBondContact O-CB 3.44Å; A178-Y181 PolarHBondContact O-N 3.42Å; A178-Y182 PolarHBondContact O-N 3.28Å; A178-S190 PolarHBondContact O-OG 3.42Å; A178-I194 HydrophobicContact CB-CG1 4.3Å; A178-L239 HydrophobicContact CB-CD2 4Å
179L98.4Very high97.7Very high27 Ų2747.5 Ų47.514%0.14123%0.228CC..Hα-helixtrans-62.1-37.9179.3-173.763.6000112.5Y148 Y175 N176 I177 Y182 Q183 L239Y148-L179 HydrophobicContact CE1-CD2 4.19Å; Y148-L179 HydrophobicContact CE2-CB 4.49Å; Y148-L179 HydrophobicContact CE2-CD2 3.97Å; Y148-L179 HydrophobicContact CE2-CG 3.75Å; Y148-L179 WeakPolarHBondContact OH-CD1 3.33Å; Y148-L179 WeakPolarHBondContact OH-CD2 3.42Å; Y148-L179 WeakPolarHBondContact OH-CG 3.46Å; Y175-L179 HydrophobicContact CE1-CD2 4.06Å; Y175-L179 WeakPolarHBondContact O-CB 2.87Å; Y175-L179 PolarHBondContact O-N 3.04Å; N176-L179 PolarHBondContact O-N 3.33Å; I177-L179 VanDerWaalsContact C-N 3.29Å; I177-L179 PolarHBondContact O-N 2.71Å; L179-Y182 HydrophobicContact CD1-CD1 4.28Å; L179-Y182 WeakPolarHBondContact O-CB 3.38Å; L179-Y182 PolarHBondContact O-N 3.29Å; L179-Q183 WeakPolarHBondContact O-CG 3.47Å; L179-Q183 PolarHBondContact O-N 3.38Å; L179-L239 HydrophobicContact CB-CD2 4.42Å; L179-L239 HydrophobicContact CD1-CD1 3.97Å; L179-L239 HydrophobicContact CD1-CD2 4.44Å
180C98.7Very high97.8Very high0 Ų043.7 Ų43.70%021%0.213CC..Hα-helixtrans-60.9-45.7170.4-710000111.9C157 N176 I177 A178 Y182 Q183 M184C157-C180 HydrophobicContact CB-CB 3.77Å; N176-C180 PolarHBondContact O-N 3.5Å; N176-C180 PolarHBondContact O-SG 2.91Å; I177-C180 WeakPolarHBondContact O-CB 3.42Å; I177-C180 PolarHBondContact O-N 2.88Å; A178-C180 VanDerWaalsContact C-N 3.34Å; A178-C180 PolarHBondContact O-N 2.86Å; C180-Y182 VanDerWaalsContact C-N 3.31Å; C180-Y182 PolarHBondContact O-N 3.03Å; C180-Q183 PolarHBondContact O-N 2.88Å; C180-M184 WeakPolarHBondContact O-CG 3.41Å; C180-M184 PolarHBondContact O-N 2.59Å
181Y98.7Very high98Very high33 Ų3342 Ų4213%0.12921%0.206CC..Hα-helixtrans-63.2-37.6176.9-77.5-64.9000112.5Q161 I177 A178 M184 K185 Q186 Q189 Y193Q161-Y181 PolarHBondContact NE2-OH 3.38Å; I177-Y181 HydrophobicContact CG2-CD2 3.89Å; I177-Y181 HydrophobicContact CG2-CE2 3.6Å; I177-Y181 VanDerWaalsContact O-CD2 3.25Å; I177-Y181 WeakPolarHBondContact O-CD2 3.48Å; I177-Y181 PolarHBondContact O-N 3.32Å; I177-Y181 VanDerWaalsContact O-N 3.12Å; A178-Y181 WeakPolarHBondContact O-CB 3.44Å; A178-Y181 PolarHBondContact O-N 3.42Å; Y181-M184 HydrophobicContact CD1-CE 3.46Å; Y181-M184 VanDerWaalsContact CD1-CE 3.46Å; Y181-M184 HydrophobicContact CE1-CE 3.82Å; Y181-M184 HydrophobicContact CG-CE 4.24Å; Y181-M184 CarbonylContact O-C 3.52Å; Y181-M184 PolarHBondContact O-N 2.94Å; Y181-K185 PolarHBondContact O-N 3.11Å; Y181-Q186 HydrophobicContact CD1-CB 3.92Å; Y181-Q186 WeakPolarHBondContact O-CA 3.21Å; Y181-Q186 PolarHBondContact O-N 2.95Å; Y181-Q189 HydrophobicContact CD1-CB 3.62Å; Y181-Q189 HydrophobicContact CD1-CG 4.25Å; Y181-Q189 HydrophobicContact CD2-CB 4.1Å; Y181-Q189 HydrophobicContact CE1-CB 3.91Å; Y181-Q189 HydrophobicContact CE1-CG 4.19Å; Y181-Q189 HydrophobicContact CE2-CB 4.36Å; Y181-Q189 HydrophobicContact CG-CB 3.73Å; Y181-Y193 AromaticContact CD2-CD2 3.95Å; Y181-Y193 HydrophobicContact CD2-CD2 3.95Å; Y181-Y193 AromaticContact CD2-CE2 3.85Å; Y181-Y193 HydrophobicContact CD2-CE2 3.85Å; Y181-Y193 AromaticContact CE2-CD2 3.98Å; Y181-Y193 HydrophobicContact CE2-CD2 3.98Å; Y181-Y193 AromaticContact CE2-CE2 3.38Å; Y181-Y193 HydrophobicContact CE2-CE2 3.38Å
182Y98.5Very high98Very high50 Ų5047.5 Ų47.520%0.19623%0.228CC..Hα-helixtrans-58.5-51.2172.6171.1-102.7000112.1A178 L179 C180 M184 K185 Y187 L239 I243 N246A178-Y182 PolarHBondContact O-N 3.28Å; L179-Y182 HydrophobicContact CD1-CD1 4.28Å; L179-Y182 WeakPolarHBondContact O-CB 3.38Å; L179-Y182 PolarHBondContact O-N 3.29Å; C180-Y182 VanDerWaalsContact C-N 3.31Å; C180-Y182 PolarHBondContact O-N 3.03Å; Y182-M184 PolarHBondContact O-N 2.79Å; Y182-K185 WeakPolarHBondContact O-CA 3.27Å; Y182-K185 PolarHBondContact O-N 3.16Å; Y182-Y187 HydrophobicContact CD2-CD1 4.12Å; Y182-Y187 AromaticContact CD2-CE1 3.79Å; Y182-Y187 HydrophobicContact CD2-CE1 3.79Å; Y182-Y187 HydrophobicContact CE2-CE1 4.01Å; Y182-L239 HydrophobicContact CD1-CD1 3.81Å; Y182-L239 HydrophobicContact CD2-CD1 3.81Å; Y182-L239 HydrophobicContact CE1-CD1 4.33Å; Y182-L239 HydrophobicContact CE2-CD1 4.32Å; Y182-L239 HydrophobicContact CG-CD1 3.52Å; Y182-I243 HydrophobicContact CD2-CD1 4.08Å; Y182-I243 HydrophobicContact CD2-CG1 3.49Å; Y182-I243 VanDerWaalsContact CD2-CG1 3.49Å; Y182-I243 HydrophobicContact CE2-CG1 3.87Å; Y182-N246 PolarHBondContact OH-ND2 2.92Å
183Q97.5Very high98.1Very high72 Ų7246.4 Ų46.434%0.33622%0.22SC..Hα-helixtrans-62.8-31.3179.2-69.8-62.1-9.400112.8Y148 Y153 L179 C180 K185Y148-Q183 HydrophobicContact CE2-CG 3.74Å; Y148-Q183 WeakPolarHBondContact OH-CG 3.47Å; Y148-Q183 PolarHBondContact OH-NE2 3.42Å; Y153-Q183 HydrophobicContact CD1-CB 3.71Å; Y153-Q183 HydrophobicContact CD1-CG 4Å; Y153-Q183 HydrophobicContact CD2-CB 3.63Å; Y153-Q183 HydrophobicContact CE1-CB 3.75Å; Y153-Q183 HydrophobicContact CE1-CG 3.73Å; Y153-Q183 HydrophobicContact CE2-CB 3.67Å; Y153-Q183 HydrophobicContact CE2-CG 4.4Å; Y153-Q183 HydrophobicContact CG-CB 3.65Å; Y153-Q183 HydrophobicContact CG-CG 4.45Å; L179-Q183 WeakPolarHBondContact O-CG 3.47Å; L179-Q183 PolarHBondContact O-N 3.38Å; C180-Q183 PolarHBondContact O-N 2.88Å; Q183-K185 PolarHBondContact O-N 2.94Å
184M96.9Very high98.2Very high43 Ų4346.3 Ų46.321%0.21222%0.22CC..THydrogen-bonded Turntrans-78.45.8171.9-64-171.4-51.300114.1Y153 Q154 C180 Y181 Y182 Q186Y153-M184 HydrophobicContact CD2-CG 4.47Å; Q154-M184 HydrophobicContact CG-SD 3.52Å; Q154-M184 VanDerWaalsContact CG-SD 3.52Å; C180-M184 WeakPolarHBondContact O-CG 3.41Å; C180-M184 PolarHBondContact O-N 2.59Å; Y181-M184 HydrophobicContact CD1-CE 3.46Å; Y181-M184 VanDerWaalsContact CD1-CE 3.46Å; Y181-M184 HydrophobicContact CE1-CE 3.82Å; Y181-M184 HydrophobicContact CG-CE 4.24Å; Y181-M184 CarbonylContact O-C 3.52Å; Y181-M184 PolarHBondContact O-N 2.94Å; Y182-M184 PolarHBondContact O-N 2.79Å; M184-Q186 HydrophobicContact CB-CG 4.14Å; M184-Q186 PolarHBondContact O-N 3.47Å
185K95.8Very high98.2Very high150 Ų15049 Ų4965%0.65224%0.242SC*.THydrogen-bonded Turntrans5724.4-175-56.8-176.4177.8-177.20114.2Y181 Y182 Q183 Y187Y181-K185 PolarHBondContact O-N 3.11Å; Y182-K185 WeakPolarHBondContact O-CA 3.27Å; Y182-K185 PolarHBondContact O-N 3.16Å; Q183-K185 PolarHBondContact O-N 2.94Å; K185-Y187 VanDerWaalsContact C-N 3.33Å; K185-Y187 PolarHBondContact O-N 2.78Å
186Q97.4Very high98.1Very high84 Ų8449.5 Ų49.539%0.39325%0.248SC..  trans-93.262.1177.2-63.8-175.328.400110.6Y181 M184 A188 Q189 S190Y181-Q186 HydrophobicContact CD1-CB 3.92Å; Y181-Q186 WeakPolarHBondContact O-CA 3.21Å; Y181-Q186 PolarHBondContact O-N 2.95Å; M184-Q186 HydrophobicContact CB-CG 4.14Å; M184-Q186 PolarHBondContact O-N 3.47Å; Q186-A188 VanDerWaalsContact C-N 3.31Å; Q186-A188 PolarHBondContact O-N 2.94Å; Q186-Q189 PolarHBondContact O-N 3.26Å; Q186-S190 PolarHBondContact O-N 3.27Å; Q186-S190 VanDerWaalsContact O-N 3.08Å
187Y98.2Very high98.2Very high51 Ų5147.8 Ų47.820%0.224%0.238CC..Hα-helixtrans-58.3-37.8-171.3-56.5-37.6000113.9Y182 K185 Q189 S190 L191 I243 L247Y182-Y187 HydrophobicContact CD2-CD1 4.12Å; Y182-Y187 AromaticContact CD2-CE1 3.79Å; Y182-Y187 HydrophobicContact CD2-CE1 3.79Å; Y182-Y187 HydrophobicContact CE2-CE1 4.01Å; K185-Y187 VanDerWaalsContact C-N 3.33Å; K185-Y187 PolarHBondContact O-N 2.78Å; Y187-Q189 VanDerWaalsContact C-N 3.27Å; Y187-Q189 PolarHBondContact O-N 2.87Å; Y187-S190 WeakPolarHBondContact O-CB 3.42Å; Y187-S190 PolarHBondContact O-N 3.5Å; Y187-L191 WeakPolarHBondContact O-CB 3.47Å; Y187-L191 WeakPolarHBondContact O-CG 3.46Å; Y187-L191 PolarHBondContact O-N 3.46Å; Y187-I243 HydrophobicContact CD1-CG1 4.05Å; Y187-I243 HydrophobicContact CD1-CG2 4.27Å; Y187-I243 HydrophobicContact CG-CG2 4.05Å; Y187-L247 HydrophobicContact CD2-CD2 3.85Å; Y187-L247 HydrophobicContact CD2-CG 4.22Å; Y187-L247 HydrophobicContact CE2-CD2 4.25Å
188A98.1Very high98.1Very high73 Ų7348.8 Ų48.860%0.60324%0.244SC*.Hα-helixtrans-62.4-32.7178.300000113.3Q186 K192Q186-A188 VanDerWaalsContact C-N 3.31Å; Q186-A188 PolarHBondContact O-N 2.94Å; A188-K192 WeakPolarHBondContact O-CG 3.44Å
189Q98Very high98.1Very high73 Ų7354.7 Ų54.734%0.34127%0.271SS..Hα-helixtrans-77.9-44.2174.2-65.2-63.5-26.200110.3Y181 Q186 Y187 L191 K192 Y193Y181-Q189 HydrophobicContact CD1-CB 3.62Å; Y181-Q189 HydrophobicContact CD1-CG 4.25Å; Y181-Q189 HydrophobicContact CD2-CB 4.1Å; Y181-Q189 HydrophobicContact CE1-CB 3.91Å; Y181-Q189 HydrophobicContact CE1-CG 4.19Å; Y181-Q189 HydrophobicContact CE2-CB 4.36Å; Y181-Q189 HydrophobicContact CG-CB 3.73Å; Q186-Q189 PolarHBondContact O-N 3.26Å; Y187-Q189 VanDerWaalsContact C-N 3.27Å; Y187-Q189 PolarHBondContact O-N 2.87Å; Q189-L191 VanDerWaalsContact C-N 3.29Å; Q189-L191 PolarHBondContact O-N 3.3Å; Q189-K192 WeakPolarHBondContact O-CB 3.5Å; Q189-K192 PolarHBondContact O-N 3.01Å; Q189-K192 VanDerWaalsContact O-N 3.08Å; Q189-Y193 WeakPolarHBondContact O-CD2 3.48Å; Q189-Y193 PolarHBondContact O-N 3.41Å
190S98.7Very high98.1Very high0 Ų054.9 Ų54.90%027%0.271CS..Hα-helixtrans-53.2-46.9175.5-168.40000112A178 Q186 Y187 K192 Y193 I194 I243A178-S190 PolarHBondContact O-OG 3.42Å; Q186-S190 PolarHBondContact O-N 3.27Å; Q186-S190 VanDerWaalsContact O-N 3.08Å; Y187-S190 WeakPolarHBondContact O-CB 3.42Å; Y187-S190 PolarHBondContact O-N 3.5Å; S190-K192 VanDerWaalsContact C-N 3.28Å; S190-K192 PolarHBondContact O-N 2.96Å; S190-Y193 PolarHBondContact O-N 2.97Å; S190-I194 WeakPolarHBondContact O-CG1 3.49Å; S190-I194 PolarHBondContact O-N 3.05Å; S190-I243 WeakPolarHBondContact OG-CD1 3.36Å
191L98.6Very high98Very high47 Ų4755 Ų5525%0.24627%0.273CS..Hα-helixtrans-63.9-29179.8-74170000113.4Y187 Q189 I194 A195 K240 I243Y187-L191 WeakPolarHBondContact O-CB 3.47Å; Y187-L191 WeakPolarHBondContact O-CG 3.46Å; Y187-L191 PolarHBondContact O-N 3.46Å; Q189-L191 VanDerWaalsContact C-N 3.29Å; Q189-L191 PolarHBondContact O-N 3.3Å; L191-I194 HydrophobicContact CD2-CD1 4.17Å; L191-A195 WeakPolarHBondContact O-CB 3.46Å; L191-A195 PolarHBondContact O-N 3.29Å; L191-K240 HydrophobicContact CD2-CG 4.44Å; L191-I243 HydrophobicContact CD1-CG2 4.04Å; L191-I243 HydrophobicContact CD2-CD1 4.32Å; L191-I243 HydrophobicContact CD2-CG2 4.11Å; L191-I243 HydrophobicContact CG-CD1 4.4Å; L191-I243 HydrophobicContact CG-CG2 4.09Å
192K98.4Very high97.9Very high131 Ų13157.5 Ų57.557%0.5729%0.287SS*.Hα-helixtrans-67-45174.1-73.1176.5-179.3-1770111.9A188 Q189 S190 A195 D196A188-K192 WeakPolarHBondContact O-CG 3.44Å; Q189-K192 WeakPolarHBondContact O-CB 3.5Å; Q189-K192 PolarHBondContact O-N 3.01Å; Q189-K192 VanDerWaalsContact O-N 3.08Å; S190-K192 VanDerWaalsContact C-N 3.28Å; S190-K192 PolarHBondContact O-N 2.96Å; K192-A195 PolarHBondContact O-N 3.05Å; K192-D196 PolarHBondContact O-N 3.14Å; K192-D196 VanDerWaalsContact O-N 3.07Å
193Y98.4Very high97.8Very high56 Ų5661.6 Ų61.622%0.2230%0.303CS..Hα-helixtrans-68.5-37.7176.6-74.2-83.3000111.5T174 I177 Y181 Q189 S190 A195 D196 I197T174-Y193 HydrophobicContact CG2-CD1 3.72Å; T174-Y193 HydrophobicContact CG2-CG 4.5Å; I177-Y193 HydrophobicContact CB-CD1 4.45Å; I177-Y193 HydrophobicContact CB-CE1 4.39Å; I177-Y193 HydrophobicContact CD1-CE1 4.44Å; I177-Y193 HydrophobicContact CG2-CD1 4.03Å; I177-Y193 HydrophobicContact CG2-CD2 4.08Å; I177-Y193 HydrophobicContact CG2-CE1 3.69Å; I177-Y193 HydrophobicContact CG2-CE2 3.78Å; I177-Y193 HydrophobicContact CG2-CG 4.21Å; Y181-Y193 AromaticContact CD2-CD2 3.95Å; Y181-Y193 HydrophobicContact CD2-CD2 3.95Å; Y181-Y193 AromaticContact CD2-CE2 3.85Å; Y181-Y193 HydrophobicContact CD2-CE2 3.85Å; Y181-Y193 AromaticContact CE2-CD2 3.98Å; Y181-Y193 HydrophobicContact CE2-CD2 3.98Å; Y181-Y193 AromaticContact CE2-CE2 3.38Å; Y181-Y193 HydrophobicContact CE2-CE2 3.38Å; Q189-Y193 WeakPolarHBondContact O-CD2 3.48Å; Q189-Y193 PolarHBondContact O-N 3.41Å; S190-Y193 PolarHBondContact O-N 2.97Å; Y193-A195 PolarHBondContact O-N 2.97Å; Y193-D196 PolarHBondContact O-N 2.99Å; Y193-I197 WeakPolarHBondContact O-CD1 3.26Å; Y193-I197 VanDerWaalsContact O-CG1 3.27Å; Y193-I197 WeakPolarHBondContact O-CG1 3.26Å; Y193-I197 PolarHBondContact O-N 3.47Å
194I98.7Very high97.8Very high4 Ų462 Ų622%0.02131%0.307CS..Hα-helixtrans-57.2-48.3171.8-74.3165.8000111A178 S190 L191 D196 I197 I198 T236 L239 K240 I243A178-I194 HydrophobicContact CB-CG1 4.3Å; S190-I194 WeakPolarHBondContact O-CG1 3.49Å; S190-I194 PolarHBondContact O-N 3.05Å; L191-I194 HydrophobicContact CD2-CD1 4.17Å; I194-D196 VanDerWaalsContact C-N 3.33Å; I194-D196 PolarHBondContact O-N 3.33Å; I194-I197 PolarHBondContact O-N 3.3Å; I194-I198 HydrophobicContact CG2-CD1 3.79Å; I194-I198 WeakPolarHBondContact O-CG1 3.48Å; I194-I198 PolarHBondContact O-N 3.03Å; I194-T236 HydrophobicContact CB-CG2 4.11Å; I194-T236 HydrophobicContact CG1-CG2 4.14Å; I194-T236 HydrophobicContact CG2-CG2 3.78Å; I194-L239 HydrophobicContact CD1-CB 4.37Å; I194-L239 HydrophobicContact CD1-CD2 4.04Å; I194-L239 HydrophobicContact CD1-CG 3.98Å; I194-L239 HydrophobicContact CG1-CD2 4.34Å; I194-K240 HydrophobicContact CD1-CB 4.41Å; I194-K240 HydrophobicContact CG2-CB 3.97Å; I194-K240 HydrophobicContact CG2-CD 4.31Å; I194-K240 HydrophobicContact CG2-CG 4.23Å; I194-I243 HydrophobicContact CD1-CD1 3.59Å
195A98.5Very high97.7Very high55 Ų5562.5 Ų62.546%0.45531%0.309SS..Hα-helixtrans-61.4-41.7178.500000112L191 K192 Y193 I197 I198 E199L191-A195 WeakPolarHBondContact O-CB 3.46Å; L191-A195 PolarHBondContact O-N 3.29Å; K192-A195 PolarHBondContact O-N 3.05Å; Y193-A195 PolarHBondContact O-N 2.97Å; A195-I197 PolarHBondContact O-N 2.72Å; A195-I198 PolarHBondContact O-N 2.83Å; A195-E199 WeakPolarHBondContact O-CB 3.49Å; A195-E199 PolarHBondContact O-N 3.06Å
196D98.1Very high97.6Very high54 Ų5459.4 Ų59.429%0.28930%0.304SS..Hα-helixtrans-61.5-40.9176.6-173.338.7000112.2K192 Y193 I194 H200K192-D196 PolarHBondContact O-N 3.14Å; K192-D196 VanDerWaalsContact O-N 3.07Å; Y193-D196 PolarHBondContact O-N 2.99Å; I194-D196 VanDerWaalsContact C-N 3.33Å; I194-D196 PolarHBondContact O-N 3.33Å; D196-H200 PolarHBondContact O-N 2.97Å; D196-H200 VanDerWaalsContact O-N 3.11Å; D196-H200 PolarHBondContact O-ND1 3.26Å; D196-H200 IonicContact OD1-CE1 3.48Å; D196-H200 PolarHBondContact OD1-CE1 2.95Å; D196-H200 IonicContact OD1-ND1 2.94Å; D196-H200 PolarHBondContact OD1-ND1 2.92Å
197I98.6Very high97.3Very high0 Ų060.9 Ų60.90%031%0.311CS..Hα-helixtrans-64.8-46.8175.6-61.8158.5000111.5Y169 A171 T174 Y193 I194 A195 E199 H200 G201 T231 T236Y169-I197 WeakPolarHBondContact OH-CA 3.38Å; A171-I197 HydrophobicContact CB-CG2 4.31Å; T174-I197 HydrophobicContact CG2-CD1 3.89Å; T174-I197 HydrophobicContact CG2-CG1 3.53Å; Y193-I197 WeakPolarHBondContact O-CD1 3.26Å; Y193-I197 VanDerWaalsContact O-CG1 3.27Å; Y193-I197 WeakPolarHBondContact O-CG1 3.26Å; Y193-I197 PolarHBondContact O-N 3.47Å; I194-I197 PolarHBondContact O-N 3.3Å; A195-I197 PolarHBondContact O-N 2.72Å; I197-E199 VanDerWaalsContact C-N 3.35Å; I197-E199 PolarHBondContact O-N 2.82Å; I197-H200 PolarHBondContact O-N 3.45Å; I197-G201 PolarHBondContact O-N 2.84Å; I197-T231 WeakPolarHBondContact CG2-O 3.47Å; I197-T236 HydrophobicContact CB-CG2 4.07Å; I197-T236 HydrophobicContact CD1-CG2 4.27Å; I197-T236 WeakPolarHBondContact CD1-OG1 3.34Å; I197-T236 HydrophobicContact CG2-CG2 4.11Å; I197-T236 WeakPolarHBondContact CG2-OG1 3.31Å
198I98.3Very high97.1Very high22 Ų2258.8 Ų58.811%0.11330%0.303CS..Hα-helixtrans-62.3-43.8179.4-67.4167.5000110.6I194 A195 H200 G201 I202 V210 L233 T236 F237 K240I194-I198 HydrophobicContact CG2-CD1 3.79Å; I194-I198 WeakPolarHBondContact O-CG1 3.48Å; I194-I198 PolarHBondContact O-N 3.03Å; A195-I198 PolarHBondContact O-N 2.83Å; I198-H200 PolarHBondContact O-N 2.91Å; I198-G201 PolarHBondContact O-N 3.35Å; I198-I202 HydrophobicContact CG2-CD1 3.65Å; I198-I202 HydrophobicContact CG2-CG1 4.32Å; I198-I202 VanDerWaalsContact O-CG1 3.32Å; I198-I202 WeakPolarHBondContact O-CG1 3.38Å; I198-I202 PolarHBondContact O-N 3.07Å; I198-V210 HydrophobicContact CG2-CG1 4.49Å; I198-L233 HydrophobicContact CG1-CD2 4.35Å; I198-T236 HydrophobicContact CD1-CG2 4.23Å; I198-T236 HydrophobicContact CG1-CG2 3.93Å; I198-F237 HydrophobicContact CD1-CD1 4.18Å; I198-F237 HydrophobicContact CD1-CE1 3.65Å; I198-F237 HydrophobicContact CD1-CZ 3.82Å; I198-F237 HydrophobicContact CG1-CE1 4.23Å; I198-F237 HydrophobicContact CG1-CE2 4.22Å; I198-F237 HydrophobicContact CG1-CZ 3.88Å; I198-F237 HydrophobicContact CG2-CZ 4.11Å; I198-K240 HydrophobicContact CD1-CD 4.26Å
199E98Very high96.8Very high124 Ų12455.5 Ų55.558%0.57928%0.276SS*.Hα-helixtrans-60.7-44.5178.5-174.9177.5173.300111.9A195 I197 R203A195-E199 WeakPolarHBondContact O-CB 3.49Å; A195-E199 PolarHBondContact O-N 3.06Å; I197-E199 VanDerWaalsContact C-N 3.35Å; I197-E199 PolarHBondContact O-N 2.82Å; E199-R203 VanDerWaalsContact O-CB 3.22Å; E199-R203 WeakPolarHBondContact O-CB 3.41Å; E199-R203 PolarHBondContact O-N 3.12Å
200H98.1Very high96.5Very high30 Ų3053.2 Ų53.214%0.13927%0.267CS..Hα-helixtrans-63.6-45.7174.7-78.473.9000111.8Y169 D196 I197 I198 I202 R203 D204Y169-H200 AromaticContact CD1-CD2 3.6Å; Y169-H200 AromaticContact CD2-CE1 3.98Å; Y169-H200 AromaticContact CD2-NE2 3.94Å; Y169-H200 HydrophobicContact CE1-CB 3.85Å; Y169-H200 AromaticContact CE1-CD2 3.37Å; Y169-H200 WeakPolarHBondContact CE1-CD2 3.37Å; Y169-H200 AromaticContact CE1-CG 3.6Å; Y169-H200 HydrophobicContact CE2-CB 4.45Å; Y169-H200 AromaticContact CE2-CD2 3.9Å; Y169-H200 AromaticContact CE2-CE1 3.8Å; Y169-H200 AromaticContact CE2-CG 3.76Å; Y169-H200 AromaticContact CE2-ND1 3.67Å; Y169-H200 AromaticContact CG-CD2 3.99Å; Y169-H200 AromaticContact CG-NE2 3.95Å; Y169-H200 AromaticContact CZ-CD2 3.53Å; Y169-H200 AromaticContact CZ-CG 3.31Å; Y169-H200 AromaticContact CZ-ND1 3.72Å; Y169-H200 WeakPolarHBondContact OH-CB 3.46Å; D196-H200 PolarHBondContact O-N 2.97Å; D196-H200 VanDerWaalsContact O-N 3.11Å; D196-H200 PolarHBondContact O-ND1 3.26Å; D196-H200 IonicContact OD1-CE1 3.48Å; D196-H200 PolarHBondContact OD1-CE1 2.95Å; D196-H200 IonicContact OD1-ND1 2.94Å; D196-H200 PolarHBondContact OD1-ND1 2.92Å; I197-H200 PolarHBondContact O-N 3.45Å; I198-H200 PolarHBondContact O-N 2.91Å; H200-I202 PolarHBondContact O-N 3.46Å; H200-R203 PolarHBondContact CD2-NH2 3.08Å; H200-R203 PolarHBondContact NE2-NH2 3.34Å; H200-R203 PolarHBondContact O-N 2.74Å; H200-D204 IonicContact CD2-OD2 2.7Å; H200-D204 VanDerWaalsContact O-CB 3.24Å; H200-D204 WeakPolarHBondContact O-CB 3.29Å; H200-D204 PolarHBondContact O-N 3.32Å
201G97.4Very high96Very high3 Ų353.9 Ų53.93%0.03127%0.274CS..Hα-helixtrans-59.5-43.9178.300000112.9I197 I198 H205I197-G201 PolarHBondContact O-N 2.84Å; I198-G201 PolarHBondContact O-N 3.35Å; G201-H205 CarbonylContact O-C 3.48Å; G201-H205 WeakPolarHBondContact O-CA 3.46Å; G201-H205 WeakPolarHBondContact O-CB 3.45Å; G201-H205 PolarHBondContact O-N 2.79Å
202I96.4Very high95.4Very high86 Ų8655 Ų5544%0.44128%0.279SS..Hα-helixtrans-66.6-44.2177.2-67.7168000111.4I198 H200 V210I198-I202 HydrophobicContact CG2-CD1 3.65Å; I198-I202 HydrophobicContact CG2-CG1 4.32Å; I198-I202 VanDerWaalsContact O-CG1 3.32Å; I198-I202 WeakPolarHBondContact O-CG1 3.38Å; I198-I202 PolarHBondContact O-N 3.07Å; H200-I202 PolarHBondContact O-N 3.46Å; I202-V210 HydrophobicContact CD1-CB 4.45Å; I202-V210 HydrophobicContact CD1-CG1 3.92Å; I202-V210 HydrophobicContact CG1-CB 3.86Å; I202-V210 HydrophobicContact CG1-CG1 3.81Å; I202-V210 HydrophobicContact CG1-CG2 4.31Å
203R96.9Very high94.5Very high136 Ų13651.4 Ų51.451%0.51327%0.268SS..Hα-helixtrans-69.5-44.4-176.2-176.6-170.569.4-145.8-3.4112.1E199 H200E199-R203 VanDerWaalsContact O-CB 3.22Å; E199-R203 WeakPolarHBondContact O-CB 3.41Å; E199-R203 PolarHBondContact O-N 3.12Å; H200-R203 PolarHBondContact CD2-NH2 3.08Å; H200-R203 PolarHBondContact NE2-NH2 3.34Å; H200-R203 PolarHBondContact O-N 2.74Å
204D96.5Very high93.6Very high80 Ų8051.7 Ų51.743%0.42828%0.276SS..Hα-helixtrans-91.1-23.8-170.2-58.2-21.9000111.6H200H200-D204 IonicContact CD2-OD2 2.7Å; H200-D204 VanDerWaalsContact O-CB 3.24Å; H200-D204 WeakPolarHBondContact O-CB 3.29Å; H200-D204 PolarHBondContact O-N 3.32Å
205H95.3Very high92.6Very high54 Ų5457.9 Ų57.925%0.2530%0.304CS..  trans-13561.6-178.5-59.7-71.9000113.5G201 E207 L208 T231G201-H205 CarbonylContact O-C 3.48Å; G201-H205 WeakPolarHBondContact O-CA 3.46Å; G201-H205 WeakPolarHBondContact O-CB 3.45Å; G201-H205 PolarHBondContact O-N 2.79Å; H205-E207 VanDerWaalsContact C-OE2 3.29Å; H205-E207 WeakPolarHBondContact CA-OE2 3.4Å; H205-E207 IonicContact CG-OE1 3.9Å; H205-E207 IonicContact ND1-OE1 2.8Å; H205-E207 PolarHBondContact ND1-OE1 3.44Å; H205-E207 VanDerWaalsContact ND1-OE1 3.09Å; H205-E207 PolarHBondContact O-N 3.43Å; H205-E207 VanDerWaalsContact O-N 3.1Å; H205-L208 HydrophobicContact CB-CD1 3.64Å; H205-L208 HydrophobicContact CB-CG 3.9Å; H205-L208 WeakPolarHBondContact O-CB 3.41Å; H205-L208 PolarHBondContact O-N 3.02Å; H205-T231 VanDerWaalsContact CD2-CG2 3.46Å; H205-T231 WeakPolarHBondContact CD2-CG2 3.26Å
206P93.3Very high91.4Very high85 Ų8556.3 Ų56.355%0.55229%0.294SS*.G310 helixtrans-59.7-22.5179.326.6-36.1000113.5L208 G209P206-L208 PolarHBondContact O-N 2.88Å; P206-G209 PolarHBondContact O-N 3.29Å
207E91.2Very high90.5Very high115 Ų11558.2 Ų58.254%0.53730%0.303SS..G310 helixtrans-64-17.7175.167.2-81.6-173.600114.4H205 G209H205-E207 VanDerWaalsContact C-OE2 3.29Å; H205-E207 WeakPolarHBondContact CA-OE2 3.4Å; H205-E207 IonicContact CG-OE1 3.9Å; H205-E207 IonicContact ND1-OE1 2.8Å; H205-E207 PolarHBondContact ND1-OE1 3.44Å; H205-E207 VanDerWaalsContact ND1-OE1 3.09Å; H205-E207 PolarHBondContact O-N 3.43Å; H205-E207 VanDerWaalsContact O-N 3.1Å; E207-G209 VanDerWaalsContact C-N 3.26Å; E207-G209 PolarHBondContact O-N 3.24Å
208L93.4Very high89.1Confident6 Ų666.2 Ų66.23%0.03134%0.341CS..G310 helixtrans-78.8-6.5179.5-65.2179.2000113.6H205 P206 V210 V222 L228 T231 L233 P261 P262H205-L208 HydrophobicContact CB-CD1 3.64Å; H205-L208 HydrophobicContact CB-CG 3.9Å; H205-L208 WeakPolarHBondContact O-CB 3.41Å; H205-L208 PolarHBondContact O-N 3.02Å; P206-L208 PolarHBondContact O-N 2.88Å; L208-V210 VanDerWaalsContact C-N 3.3Å; L208-V210 PolarHBondContact O-N 3.28Å; L208-V222 HydrophobicContact CD2-CB 4.44Å; L208-V222 HydrophobicContact CD2-CG2 4.26Å; L208-L228 HydrophobicContact CD1-CD1 4.06Å; L208-L228 HydrophobicContact CD2-CB 4.23Å; L208-L228 HydrophobicContact CD2-CD1 4.24Å; L208-T231 HydrophobicContact CD1-CG2 3.72Å; L208-L233 HydrophobicContact CD1-CD1 3.83Å; L208-P261 HydrophobicContact CB-CB 4.36Å; L208-P261 HydrophobicContact CB-CG 4.24Å; L208-P261 WeakPolarHBondContact O-CA 3.34Å; L208-P261 WeakPolarHBondContact O-CB 3.41Å; L208-P262 VanDerWaalsContact O-CD 3.3Å; L208-P262 WeakPolarHBondContact O-CD 3.33Å
209G91.5Very high88Confident4 Ų467.7 Ų67.74%0.04135%0.351CS..  trans63.428.3168.700000115.8P206 E207 G211 M212P206-G209 PolarHBondContact O-N 3.29Å; E207-G209 VanDerWaalsContact C-N 3.26Å; E207-G209 PolarHBondContact O-N 3.24Å; G209-G211 PolarHBondContact O-N 3.42Å; G209-M212 VanDerWaalsContact CA-SD 3.53Å; G209-M212 WeakPolarHBondContact O-CB 3.37Å; G209-M212 WeakPolarHBondContact O-CG 3.42Å; G209-M212 PolarHBondContact O-N 3.36Å
210V92.8Very high87.4Confident26 Ų2672.7 Ų72.716%0.15836%0.364CS..THydrogen-bonded Turntrans-53.3130.4176.81760000110.5I198 I202 L208 M212 L233 F237 D259 P261I198-V210 HydrophobicContact CG2-CG1 4.49Å; I202-V210 HydrophobicContact CD1-CB 4.45Å; I202-V210 HydrophobicContact CD1-CG1 3.92Å; I202-V210 HydrophobicContact CG1-CB 3.86Å; I202-V210 HydrophobicContact CG1-CG1 3.81Å; I202-V210 HydrophobicContact CG1-CG2 4.31Å; L208-V210 VanDerWaalsContact C-N 3.3Å; L208-V210 PolarHBondContact O-N 3.28Å; V210-M212 VanDerWaalsContact C-N 3.26Å; V210-M212 PolarHBondContact O-N 2.82Å; V210-L233 HydrophobicContact CG2-CD1 3.76Å; V210-L233 HydrophobicContact CG2-CD2 4.48Å; V210-F237 HydrophobicContact CG1-CE2 3.8Å; V210-F237 HydrophobicContact CG1-CZ 3.56Å; V210-F237 HydrophobicContact CG2-CE2 4.49Å; V210-D259 WeakPolarHBondContact CG1-O 3.45Å; V210-P261 HydrophobicContact CG2-CG 3.89Å
211G88.8Confident87.1Confident14 Ų1473.7 Ų73.714%0.14438%0.375CS..THydrogen-bonded Turntrans79.8-12.5177.900000116.2G209 T213 T214 E215 D259G209-G211 PolarHBondContact O-N 3.42Å; G211-T213 PolarHBondContact O-N 3.21Å; G211-T214 WeakPolarHBondContact O-CB 3.4Å; G211-T214 PolarHBondContact O-N 3.02Å; G211-E215 PolarHBondContact O-N 3.08Å; G211-E215 VanDerWaalsContact O-N 3.13Å; G211-D259 PolarHBondContact N-O 3.24Å
212M84.6Confident86.8Confident69 Ų6975.3 Ų75.334%0.3438%0.384SS..THydrogen-bonded Turntrans-65.6-34.8-174.3-68.1-175.7177.600113.5G209 V210 T214 E215 G216 L217 V219G209-M212 VanDerWaalsContact CA-SD 3.53Å; G209-M212 WeakPolarHBondContact O-CB 3.37Å; G209-M212 WeakPolarHBondContact O-CG 3.42Å; G209-M212 PolarHBondContact O-N 3.36Å; V210-M212 VanDerWaalsContact C-N 3.26Å; V210-M212 PolarHBondContact O-N 2.82Å; M212-T214 VanDerWaalsContact C-N 3.34Å; M212-E215 PolarHBondContact O-N 2.92Å; M212-G216 PolarHBondContact O-N 3.26Å; M212-L217 HydrophobicContact CB-CB 4.45Å; M212-L217 HydrophobicContact CB-CD1 4.27Å; M212-L217 HydrophobicContact CG-CD1 4.36Å; M212-L217 PolarHBondContact O-N 2.8Å; M212-L217 VanDerWaalsContact O-N 3.1Å; M212-V219 HydrophobicContact CB-CG2 3.49Å; M212-V219 VanDerWaalsContact CB-CG2 3.49Å; M212-V219 HydrophobicContact CG-CG2 4.44Å; M212-V219 HydrophobicContact SD-CG1 4.28Å; M212-V219 HydrophobicContact SD-CG2 4.15Å
213T79.8Confident86.4Confident57 Ų5771.4 Ų71.435%0.3537%0.365SS..THydrogen-bonded Turntrans-63.7-41.5175.4-46.90000111.1G211 E215 G216 T258G211-T213 PolarHBondContact O-N 3.21Å; T213-E215 VanDerWaalsContact C-N 3.29Å; T213-E215 PolarHBondContact O-N 3.42Å; T213-G216 WeakPolarHBondContact O-CA 3.26Å; T213-G216 PolarHBondContact O-N 3.2Å; T213-T258 WeakPolarHBondContact CB-O 3.37Å
214T79.5Confident86.1Confident62 Ų6267.4 Ų67.438%0.3835%0.354SS..THydrogen-bonded Turntrans-63.5-35.9176.5-54.20000111.4G211 M212 G216 T258 D259G211-T214 WeakPolarHBondContact O-CB 3.4Å; G211-T214 PolarHBondContact O-N 3.02Å; M212-T214 VanDerWaalsContact C-N 3.34Å; T214-G216 PolarHBondContact O-N 3.41Å; T214-T258 WeakPolarHBondContact OG1-CB 3.37Å; T214-T258 PolarHBondContact OG1-OG1 3.43Å; T214-D259 VanDerWaalsContact CB-OD1 3.24Å; T214-D259 WeakPolarHBondContact CB-OD1 3.41Å; T214-D259 PolarHBondContact OG1-N 2.95Å; T214-D259 PolarHBondContact OG1-OD1 3.13Å
215E77.4Confident85.7Confident133 Ų13365.2 Ų65.262%0.62134%0.344SS*.THydrogen-bonded Turntrans-69.7-10173.2-66.5-176.7169.500113.4G211 M212 T213 L217G211-E215 PolarHBondContact O-N 3.08Å; G211-E215 VanDerWaalsContact O-N 3.13Å; M212-E215 PolarHBondContact O-N 2.92Å; T213-E215 VanDerWaalsContact C-N 3.29Å; T213-E215 PolarHBondContact O-N 3.42Å; E215-L217 HydrophobicContact CB-CG 4.43Å
216G73.6Confident85.6Confident23 Ų2363.7 Ų63.724%0.23734%0.337CS..THydrogen-bonded Turntrans82.822.5179.100000113.9M212 T213 T214M212-G216 PolarHBondContact O-N 3.26Å; T213-G216 WeakPolarHBondContact O-CA 3.26Å; T213-G216 PolarHBondContact O-N 3.2Å; T214-G216 PolarHBondContact O-N 3.41Å
217L78.9Confident85.5Confident93 Ų9361.3 Ų61.349%0.48732%0.319SS..  trans-83.7136.4174.3-61172.6000109.8M212 E215 V219M212-L217 HydrophobicContact CB-CB 4.45Å; M212-L217 HydrophobicContact CB-CD1 4.27Å; M212-L217 HydrophobicContact CG-CD1 4.36Å; M212-L217 PolarHBondContact O-N 2.8Å; M212-L217 VanDerWaalsContact O-N 3.1Å; E215-L217 HydrophobicContact CB-CG 4.43Å; L217-V219 HydrophobicContact CB-CG2 4.13Å; L217-V219 WeakPolarHBondContact O-CG2 3.4Å; L217-V219 PolarHBondContact O-N 3.19Å; L217-V219 VanDerWaalsContact O-N 3.16Å
218E70.2Confident85.6Confident169 Ų16956 Ų5679%0.7929%0.294SS*.  trans-69.9108.9167.6-79.1-172.9178.600109.3
219V75Confident85.7Confident52 Ų5257.7 Ų57.732%0.31530%0.302SS..  trans-115132.8179.4-158.10000110.3M212 L217 P262M212-V219 HydrophobicContact CB-CG2 3.49Å; M212-V219 VanDerWaalsContact CB-CG2 3.49Å; M212-V219 HydrophobicContact CG-CG2 4.44Å; M212-V219 HydrophobicContact SD-CG1 4.28Å; M212-V219 HydrophobicContact SD-CG2 4.15Å; L217-V219 HydrophobicContact CB-CG2 4.13Å; L217-V219 WeakPolarHBondContact O-CG2 3.4Å; L217-V219 PolarHBondContact O-N 3.19Å; L217-V219 VanDerWaalsContact O-N 3.16Å; V219-P262 HydrophobicContact CB-CB 4.11Å; V219-P262 HydrophobicContact CB-CG 3.72Å; V219-P262 HydrophobicContact CG1-CB 4.38Å; V219-P262 HydrophobicContact CG1-CG 3.49Å; V219-P262 VanDerWaalsContact CG1-CG 3.49Å
220R85.4Confident85.9Confident229 Ų22963.1 Ų63.186%0.86433%0.326SS*.  trans-70149.3172.4-65-178.5179.6-179.6-0.6109.7V222R220-V222 PolarHBondContact O-N 3Å
221S90.8Very high86.1Confident52 Ų5262.2 Ų62.236%0.36432%0.321SS..  trans-53.9132.5172.3173.10000111.3G223 P262 E267S221-G223 VanDerWaalsContact C-N 3.3Å; S221-G223 PolarHBondContact OG-N 3.47Å; S221-P262 CarbonylContact C-O 3.59Å; S221-P262 VanDerWaalsContact CA-O 3.29Å; S221-P262 WeakPolarHBondContact CA-O 3.37Å; S221-E267 WeakPolarHBondContact CB-OE2 3.49Å; S221-E267 PolarHBondContact OG-OE2 2.9Å
222V90.7Very high86.5Confident37 Ų3761.6 Ų61.622%0.22431%0.314CS..  trans-82.3-12.2171.2-58.40000112.3L208 R220 L228 P261 P262L208-V222 HydrophobicContact CD2-CB 4.44Å; L208-V222 HydrophobicContact CD2-CG2 4.26Å; R220-V222 PolarHBondContact O-N 3Å; V222-L228 HydrophobicContact CG2-CD2 4.22Å; V222-P261 HydrophobicContact CG2-CB 3.94Å; V222-P262 HydrophobicContact CG1-CG 4.19Å; V222-P262 WeakPolarHBondContact CG2-O 3.38Å; V222-P262 PolarHBondContact N-O 3.44Å
223G88.5Confident87.2Confident4 Ų458.3 Ų58.34%0.04130%0.298CS..  trans66.8170.8-176.700000114.6S221 T225 L228 E267S221-G223 VanDerWaalsContact C-N 3.3Å; S221-G223 PolarHBondContact OG-N 3.47Å; G223-T225 VanDerWaalsContact C-N 3.31Å; G223-T225 PolarHBondContact O-N 3.07Å; G223-T225 VanDerWaalsContact O-N 3.08Å; G223-L228 WeakPolarHBondContact O-CD2 3.36Å; G223-E267 WeakPolarHBondContact CA-OE1 3.29Å
224N90.7Very high88.1Confident51 Ų5156.2 Ų56.227%0.27328%0.284SS..SBendtrans-86.761-178.2-69.5-30.1000112.8Q53 R263 E267Q53-N224 PolarHBondContact NE2-O 3.38Å; N224-R263 WeakPolarHBondContact OD1-CD 3.34Å; N224-E267 PolarHBondContact ND2-O 2.67Å; N224-E267 PolarHBondContact OD1-O 3.29Å
225T89.6Confident89Confident35 Ų3555.9 Ų55.922%0.21528%0.279CS..  trans-70.8157178.765.10000112.7Q53 G223 I227 L228 H229Q53-T225 PolarHBondContact NE2-O 2.94Å; Q53-T225 VanDerWaalsContact NE2-O 3.16Å; G223-T225 VanDerWaalsContact C-N 3.31Å; G223-T225 PolarHBondContact O-N 3.07Å; G223-T225 VanDerWaalsContact O-N 3.08Å; T225-I227 PolarHBondContact O-N 2.82Å; T225-L228 PolarHBondContact O-N 3.06Å; T225-L228 PolarHBondContact OG1-N 3.14Å; T225-H229 PolarHBondContact O-N 3.24Å; T225-H229 VanDerWaalsContact O-N 3.13Å
226M91.2Very high90Very high21 Ų2149.6 Ų49.610%0.10325%0.249CC..Hα-helixtrans-58.3-34.2170.5-81.4-59-51.300113.1Q51 Q53 H229 E230Q51-M226 WeakPolarHBondContact O-CG 3.47Å; Q51-M226 PolarHBondContact O-N 3.44Å; Q51-M226 VanDerWaalsContact O-N 3.1Å; Q53-M226 HydrophobicContact CG-CG 4.38Å; Q53-M226 HydrophobicContact CG-SD 3.75Å; M226-H229 PolarHBondContact O-N 3.49Å; M226-E230 WeakPolarHBondContact O-CG 3.03Å; M226-E230 PolarHBondContact O-N 3Å
227I91.7Very high91.2Very high36 Ų3648.5 Ų48.519%0.18524%0.238CC..Hα-helixtrans-59.8-50.6173.8-69.7-173.5000110.5T225 H229 E230 T231T225-I227 PolarHBondContact O-N 2.82Å; I227-H229 PolarHBondContact O-N 3.33Å; I227-E230 PolarHBondContact O-N 3.48Å; I227-T231 WeakPolarHBondContact O-CG2 3.28Å; I227-T231 PolarHBondContact O-N 3.13Å; I227-T231 VanDerWaalsContact O-N 3.08Å
228L94.6Very high92.1Very high2 Ų244.5 Ų44.51%0.0122%0.217CC..Hα-helixtrans-55.9-43.2178175.760.7000111.1L208 V222 G223 T225 T231 I234 P261L208-L228 HydrophobicContact CD1-CD1 4.06Å; L208-L228 HydrophobicContact CD2-CB 4.23Å; L208-L228 HydrophobicContact CD2-CD1 4.24Å; V222-L228 HydrophobicContact CG2-CD2 4.22Å; G223-L228 WeakPolarHBondContact O-CD2 3.36Å; T225-L228 PolarHBondContact O-N 3.06Å; T225-L228 PolarHBondContact OG1-N 3.14Å; L228-T231 PolarHBondContact O-N 3.47Å; L228-T231 PolarHBondContact O-OG1 2.91Å; L228-I234 HydrophobicContact CD1-CD1 4.08Å; L228-I234 HydrophobicContact CD1-CG1 4.13Å; L228-I234 HydrophobicContact CD2-CD1 4.3Å; L228-I234 HydrophobicContact CD2-CG1 4.23Å; L228-I234 HydrophobicContact CG-CD1 4.49Å; L228-I234 HydrophobicContact CG-CG1 4.18Å; L228-P261 HydrophobicContact CD1-CB 3.77Å; L228-P261 HydrophobicContact CD1-CG 3.65Å
229H94.6Very high93.5Very high43 Ų4337 Ų3720%0.19918%0.182CC..Hα-helixtrans-64-39.1175.9177.162.8000113.6Q172 T225 M226 I227 T231 A232 E235Q172-H229 PolarHBondContact NE2-NE2 3.18Å; Q172-H229 PolarHBondContact NE2-O 3.02Å; T225-H229 PolarHBondContact O-N 3.24Å; T225-H229 VanDerWaalsContact O-N 3.13Å; M226-H229 PolarHBondContact O-N 3.49Å; I227-H229 PolarHBondContact O-N 3.33Å; H229-T231 VanDerWaalsContact C-N 3.26Å; H229-T231 PolarHBondContact O-N 3Å; H229-A232 PolarHBondContact O-N 3.46Å; H229-E235 IonicContact ND1-OE1 2.79Å
230E95.3Very high94.6Very high118 Ų11836.6 Ų36.655%0.55118%0.176SC*.Hα-helixtrans-66-28.9177.7-75.6174.9-178.600112.5M226 I227 A232M226-E230 WeakPolarHBondContact O-CG 3.03Å; M226-E230 PolarHBondContact O-N 3Å; I227-E230 PolarHBondContact O-N 3.48Å; E230-A232 PolarHBondContact O-N 3.35Å
231T97.5Very high95.2Very high7 Ų725.7 Ų25.74%0.04314%0.135CC..THydrogen-bonded Turntrans-71.2-16175.769.40000114.4A171 I197 H205 L208 I227 L228 H229 L233A171-T231 VanDerWaalsContact CB-O 3.26Å; A171-T231 WeakPolarHBondContact CB-O 3.35Å; I197-T231 WeakPolarHBondContact CG2-O 3.47Å; H205-T231 VanDerWaalsContact CD2-CG2 3.46Å; H205-T231 WeakPolarHBondContact CD2-CG2 3.26Å; L208-T231 HydrophobicContact CD1-CG2 3.72Å; I227-T231 WeakPolarHBondContact O-CG2 3.28Å; I227-T231 PolarHBondContact O-N 3.13Å; I227-T231 VanDerWaalsContact O-N 3.08Å; L228-T231 PolarHBondContact O-N 3.47Å; L228-T231 PolarHBondContact O-OG1 2.91Å; H229-T231 VanDerWaalsContact C-N 3.26Å; H229-T231 PolarHBondContact O-N 3Å; T231-L233 HydrophobicContact CG2-CD1 4.32Å; T231-L233 PolarHBondContact O-N 3.41Å; T231-L233 WeakPolarHBondContact OG1-CB 3.36Å; T231-L233 WeakPolarHBondContact OG1-CD1 3.39Å; T231-L233 VanDerWaalsContact OG1-CG 3.28Å; T231-L233 WeakPolarHBondContact OG1-CG 3.13Å; T231-L233 PolarHBondContact OG1-N 3.28Å
232A98.1Very high95.6Very high1 Ų124.2 Ų24.21%0.00813%0.126CC..THydrogen-bonded Turntrans5220.1-172.400000114.6A171 Q172 H229 E230 I234 E235 T236A171-A232 HydrophobicContact CB-CB 4.25Å; Q172-A232 HydrophobicContact CG-CB 4.21Å; H229-A232 PolarHBondContact O-N 3.46Å; E230-A232 PolarHBondContact O-N 3.35Å; A232-I234 PolarHBondContact O-N 2.88Å; A232-E235 WeakPolarHBondContact CA-OE2 3.49Å; A232-T236 WeakPolarHBondContact O-CB 3.48Å; A232-T236 PolarHBondContact O-N 3.26Å; A232-T236 PolarHBondContact O-OG1 2.93Å
233L98.5Very high95.9Very high0 Ų022.5 Ų22.50%012%0.116CC..Hα-helixtrans-64.9-39.8-174.7-78.6169.9000111.6I198 L208 V210 T231 T236 F237 P261I198-L233 HydrophobicContact CG1-CD2 4.35Å; L208-L233 HydrophobicContact CD1-CD1 3.83Å; V210-L233 HydrophobicContact CG2-CD1 3.76Å; V210-L233 HydrophobicContact CG2-CD2 4.48Å; T231-L233 HydrophobicContact CG2-CD1 4.32Å; T231-L233 PolarHBondContact O-N 3.41Å; T231-L233 WeakPolarHBondContact OG1-CB 3.36Å; T231-L233 WeakPolarHBondContact OG1-CD1 3.39Å; T231-L233 VanDerWaalsContact OG1-CG 3.28Å; T231-L233 WeakPolarHBondContact OG1-CG 3.13Å; T231-L233 PolarHBondContact OG1-N 3.28Å; L233-T236 PolarHBondContact O-N 2.87Å; L233-F237 HydrophobicContact CB-CD2 4.43Å; L233-F237 HydrophobicContact CD2-CE2 4.07Å; L233-F237 WeakPolarHBondContact O-CB 3.39Å; L233-F237 WeakPolarHBondContact O-CD2 3.48Å; L233-F237 PolarHBondContact O-N 2.94Å; L233-P261 HydrophobicContact CB-CG 4.17Å; L233-P261 HydrophobicContact CD1-CG 3.96Å
234I98.2Very high96.4Very high12 Ų1223.4 Ų23.46%0.06212%0.119CC..Hα-helixtrans-63.3-50.8-178.8-59.4-45.8000110.7L228 A232 T236 F237 N238 M260 P261 R263 D269L228-I234 HydrophobicContact CD1-CD1 4.08Å; L228-I234 HydrophobicContact CD1-CG1 4.13Å; L228-I234 HydrophobicContact CD2-CD1 4.3Å; L228-I234 HydrophobicContact CD2-CG1 4.23Å; L228-I234 HydrophobicContact CG-CD1 4.49Å; L228-I234 HydrophobicContact CG-CG1 4.18Å; A232-I234 PolarHBondContact O-N 2.88Å; I234-T236 VanDerWaalsContact C-N 3.29Å; I234-T236 PolarHBondContact O-N 3.02Å; I234-F237 PolarHBondContact O-N 3.17Å; I234-N238 WeakPolarHBondContact O-CB 3.46Å; I234-N238 PolarHBondContact O-N 3.3Å; I234-N238 PolarHBondContact O-ND2 2.81Å; I234-M260 HydrophobicContact CD1-CB 4.5Å; I234-P261 HydrophobicContact CD1-CB 4.37Å; I234-P261 HydrophobicContact CD1-CG 4.26Å; I234-R263 VanDerWaalsContact CD1-CZ 3.46Å; I234-R263 VanDerWaalsContact CG2-NH2 3.28Å; I234-D269 WeakPolarHBondContact CG2-OD2 2.68Å
235E98.3Very high96.7Very high56 Ų5624.2 Ų24.226%0.26212%0.12SC..Hα-helixtrans-61.6-41.2177.4-60.389.5157.300110.9Y175 H229 A232 N238 L239Y175-E235 HydrophobicContact CD1-CB 4.38Å; Y175-E235 HydrophobicContact CD2-CB 4.01Å; Y175-E235 HydrophobicContact CE1-CB 3.96Å; Y175-E235 VanDerWaalsContact CE2-C 3.49Å; Y175-E235 HydrophobicContact CE2-CB 3.57Å; Y175-E235 WeakPolarHBondContact CE2-O 3.39Å; Y175-E235 HydrophobicContact CG-CB 4.4Å; H229-E235 IonicContact ND1-OE1 2.79Å; A232-E235 WeakPolarHBondContact CA-OE2 3.49Å; E235-N238 PolarHBondContact O-N 3.22Å; E235-L239 WeakPolarHBondContact O-CB 3.45Å; E235-L239 PolarHBondContact O-N 2.81Å
236T98.7Very high96.9Very high0 Ų026 Ų260%013%0.128CC..Hα-helixtrans-63.8-45.5178.7-65.80000112.6I194 I197 I198 A232 L233 I234 L239 K240I194-T236 HydrophobicContact CB-CG2 4.11Å; I194-T236 HydrophobicContact CG1-CG2 4.14Å; I194-T236 HydrophobicContact CG2-CG2 3.78Å; I197-T236 HydrophobicContact CB-CG2 4.07Å; I197-T236 HydrophobicContact CD1-CG2 4.27Å; I197-T236 WeakPolarHBondContact CD1-OG1 3.34Å; I197-T236 HydrophobicContact CG2-CG2 4.11Å; I197-T236 WeakPolarHBondContact CG2-OG1 3.31Å; I198-T236 HydrophobicContact CD1-CG2 4.23Å; I198-T236 HydrophobicContact CG1-CG2 3.93Å; A232-T236 WeakPolarHBondContact O-CB 3.48Å; A232-T236 PolarHBondContact O-N 3.26Å; A232-T236 PolarHBondContact O-OG1 2.93Å; L233-T236 PolarHBondContact O-N 2.87Å; I234-T236 VanDerWaalsContact C-N 3.29Å; I234-T236 PolarHBondContact O-N 3.02Å; T236-L239 PolarHBondContact O-N 2.99Å; T236-K240 WeakPolarHBondContact O-CB 3.41Å; T236-K240 PolarHBondContact O-N 3.12Å
237F98.7Very high97.1Very high1 Ų128.6 Ų28.60%0.00414%0.142CC..Hα-helixtrans-69.6-36.6177.6-83.9-65.5000112.2I198 V210 L233 I234 L239 K240 A241 A256 D259 M260I198-F237 HydrophobicContact CD1-CD1 4.18Å; I198-F237 HydrophobicContact CD1-CE1 3.65Å; I198-F237 HydrophobicContact CD1-CZ 3.82Å; I198-F237 HydrophobicContact CG1-CE1 4.23Å; I198-F237 HydrophobicContact CG1-CE2 4.22Å; I198-F237 HydrophobicContact CG1-CZ 3.88Å; I198-F237 HydrophobicContact CG2-CZ 4.11Å; V210-F237 HydrophobicContact CG1-CE2 3.8Å; V210-F237 HydrophobicContact CG1-CZ 3.56Å; V210-F237 HydrophobicContact CG2-CE2 4.49Å; L233-F237 HydrophobicContact CB-CD2 4.43Å; L233-F237 HydrophobicContact CD2-CE2 4.07Å; L233-F237 WeakPolarHBondContact O-CB 3.39Å; L233-F237 WeakPolarHBondContact O-CD2 3.48Å; L233-F237 PolarHBondContact O-N 2.94Å; I234-F237 PolarHBondContact O-N 3.17Å; F237-L239 VanDerWaalsContact C-N 3.33Å; F237-L239 PolarHBondContact O-N 3.2Å; F237-K240 HydrophobicContact CD1-CD 4.24Å; F237-K240 HydrophobicContact CE1-CD 4.47Å; F237-K240 WeakPolarHBondContact O-CB 3.18Å; F237-K240 PolarHBondContact O-N 3.38Å; F237-A241 WeakPolarHBondContact O-CB 3.26Å; F237-A241 PolarHBondContact O-N 3.16Å; F237-A256 WeakPolarHBondContact CB-O 3.29Å; F237-A256 WeakPolarHBondContact CD1-O 3.42Å; F237-D259 HydrophobicContact CD1-CB 4.05Å; F237-D259 HydrophobicContact CE1-CB 3.4Å; F237-D259 VanDerWaalsContact CE1-CB 3.4Å; F237-D259 HydrophobicContact CZ-CB 3.81Å; F237-M260 HydrophobicContact CB-CE 3.44Å; F237-M260 VanDerWaalsContact CB-CE 3.44Å; F237-M260 HydrophobicContact CB-CG 3.42Å; F237-M260 VanDerWaalsContact CB-CG 3.42Å; F237-M260 HydrophobicContact CB-SD 4.26Å; F237-M260 HydrophobicContact CD2-CB 4.47Å; F237-M260 HydrophobicContact CD2-CG 3.97Å; F237-M260 HydrophobicContact CG-CG 3.81Å
238N98.5Very high97.2Very high9 Ų934.2 Ų34.25%0.04817%0.165CC..Hα-helixtrans-60.8-43.6171.3-87.3-44.7000111.4I234 E235 A241 A242 M260 I271 T272 N275I234-N238 WeakPolarHBondContact O-CB 3.46Å; I234-N238 PolarHBondContact O-N 3.3Å; I234-N238 PolarHBondContact O-ND2 2.81Å; E235-N238 PolarHBondContact O-N 3.22Å; N238-A241 PolarHBondContact O-N 3.18Å; N238-A242 WeakPolarHBondContact O-CB 3.44Å; N238-A242 PolarHBondContact O-N 3.1Å; N238-M260 HydrophobicContact CB-CE 4.19Å; N238-M260 VanDerWaalsContact N-CE 3.33Å; N238-M260 WeakPolarHBondContact OD1-CE 3.49Å; N238-I271 HydrophobicContact CB-CG2 4.09Å; N238-T272 PolarHBondContact ND2-OG1 3.3Å; N238-T272 WeakPolarHBondContact OD1-CA 3.47Å; N238-T272 PolarHBondContact OD1-OG1 3.4Å; N238-N275 PolarHBondContact OD1-ND2 3.33Å
239L98.6Very high97.2Very high10 Ų1037.7 Ų37.75%0.05218%0.184CC..Hα-helixtrans-65.2-41.1176.7-17462000111.9Y175 A178 L179 Y182 I194 E235 T236 F237 A242 I243Y175-L239 HydrophobicContact CD2-CD2 4.39Å; Y175-L239 HydrophobicContact CE2-CB 4.12Å; Y175-L239 HydrophobicContact CE2-CD2 3.91Å; A178-L239 HydrophobicContact CB-CD2 4Å; L179-L239 HydrophobicContact CB-CD2 4.42Å; L179-L239 HydrophobicContact CD1-CD1 3.97Å; L179-L239 HydrophobicContact CD1-CD2 4.44Å; Y182-L239 HydrophobicContact CD1-CD1 3.81Å; Y182-L239 HydrophobicContact CD2-CD1 3.81Å; Y182-L239 HydrophobicContact CE1-CD1 4.33Å; Y182-L239 HydrophobicContact CE2-CD1 4.32Å; Y182-L239 HydrophobicContact CG-CD1 3.52Å; I194-L239 HydrophobicContact CD1-CB 4.37Å; I194-L239 HydrophobicContact CD1-CD2 4.04Å; I194-L239 HydrophobicContact CD1-CG 3.98Å; I194-L239 HydrophobicContact CG1-CD2 4.34Å; E235-L239 WeakPolarHBondContact O-CB 3.45Å; E235-L239 PolarHBondContact O-N 2.81Å; T236-L239 PolarHBondContact O-N 2.99Å; F237-L239 VanDerWaalsContact C-N 3.33Å; F237-L239 PolarHBondContact O-N 3.2Å; L239-A242 PolarHBondContact O-N 3.3Å; L239-I243 HydrophobicContact CG-CD1 4.18Å; L239-I243 VanDerWaalsContact O-CG1 3.3Å; L239-I243 WeakPolarHBondContact O-CG1 3.45Å; L239-I243 PolarHBondContact O-N 2.96Å
240K98.7Very high97Very high45 Ų4540.7 Ų40.720%0.19619%0.194CC..Hα-helixtrans-58.4-50.3172.9-174.6-173.7170.3-164.10110.5L191 I194 I198 T236 F237 A242 I243 E244 A256 D259L191-K240 HydrophobicContact CD2-CG 4.44Å; I194-K240 HydrophobicContact CD1-CB 4.41Å; I194-K240 HydrophobicContact CG2-CB 3.97Å; I194-K240 HydrophobicContact CG2-CD 4.31Å; I194-K240 HydrophobicContact CG2-CG 4.23Å; I198-K240 HydrophobicContact CD1-CD 4.26Å; T236-K240 WeakPolarHBondContact O-CB 3.41Å; T236-K240 PolarHBondContact O-N 3.12Å; F237-K240 HydrophobicContact CD1-CD 4.24Å; F237-K240 HydrophobicContact CE1-CD 4.47Å; F237-K240 WeakPolarHBondContact O-CB 3.18Å; F237-K240 PolarHBondContact O-N 3.38Å; K240-A242 VanDerWaalsContact C-N 3.34Å; K240-A242 PolarHBondContact O-N 3.38Å; K240-I243 PolarHBondContact O-N 2.98Å; K240-E244 WeakPolarHBondContact O-CG 3.22Å; K240-E244 PolarHBondContact O-N 3.21Å; K240-A256 HydrophobicContact CB-CB 4.14Å; K240-A256 HydrophobicContact CD-CB 3.75Å; K240-A256 HydrophobicContact CG-CB 3.86Å; K240-D259 IonicContact NZ-OD2 3.88Å
241A98.4Very high96.8Very high0 Ų039.9 Ų39.90%020%0.197CC..Hα-helixtrans-58.1-45178.600000111.8F237 N238 I243 E244 F245 A253 A256 L257 I279F237-A241 WeakPolarHBondContact O-CB 3.26Å; F237-A241 PolarHBondContact O-N 3.16Å; N238-A241 PolarHBondContact O-N 3.18Å; A241-I243 PolarHBondContact O-N 3.26Å; A241-E244 PolarHBondContact O-N 3.45Å; A241-F245 VanDerWaalsContact O-CB 3.25Å; A241-F245 WeakPolarHBondContact O-CB 3.19Å; A241-F245 PolarHBondContact O-N 2.99Å; A241-A253 WeakPolarHBondContact O-CB 3.45Å; A241-A256 HydrophobicContact CB-CB 3.94Å; A241-L257 HydrophobicContact CB-CD2 3.58Å; A241-L257 HydrophobicContact CB-CG 3.9Å; A241-I279 HydrophobicContact CB-CD1 3.92Å
242A98.1Very high96.7Very high21 Ų2141.5 Ų41.517%0.17421%0.209CC..Hα-helixtrans-62.9-41.2176.800000112.8N238 L239 K240 N246N238-A242 WeakPolarHBondContact O-CB 3.44Å; N238-A242 PolarHBondContact O-N 3.1Å; L239-A242 PolarHBondContact O-N 3.3Å; K240-A242 VanDerWaalsContact C-N 3.34Å; K240-A242 PolarHBondContact O-N 3.38Å; A242-N246 WeakPolarHBondContact O-CB 3.33Å; A242-N246 VanDerWaalsContact O-CG 3.22Å; A242-N246 PolarHBondContact O-N 3.22Å; A242-N246 PolarHBondContact O-ND2 2.93Å
243I98.6Very high96.6Very high0 Ų041.4 Ų41.40%021%0.208CC..Hα-helixtrans-62.7-50.5175.6-71.9165.4000110.8Y182 Y187 S190 L191 I194 L239 K240 A241 F245 N246 L247Y182-I243 HydrophobicContact CD2-CD1 4.08Å; Y182-I243 HydrophobicContact CD2-CG1 3.49Å; Y182-I243 VanDerWaalsContact CD2-CG1 3.49Å; Y182-I243 HydrophobicContact CE2-CG1 3.87Å; Y187-I243 HydrophobicContact CD1-CG1 4.05Å; Y187-I243 HydrophobicContact CD1-CG2 4.27Å; Y187-I243 HydrophobicContact CG-CG2 4.05Å; S190-I243 WeakPolarHBondContact OG-CD1 3.36Å; L191-I243 HydrophobicContact CD1-CG2 4.04Å; L191-I243 HydrophobicContact CD2-CD1 4.32Å; L191-I243 HydrophobicContact CD2-CG2 4.11Å; L191-I243 HydrophobicContact CG-CD1 4.4Å; L191-I243 HydrophobicContact CG-CG2 4.09Å; I194-I243 HydrophobicContact CD1-CD1 3.59Å; L239-I243 HydrophobicContact CG-CD1 4.18Å; L239-I243 VanDerWaalsContact O-CG1 3.3Å; L239-I243 WeakPolarHBondContact O-CG1 3.45Å; L239-I243 PolarHBondContact O-N 2.96Å; K240-I243 PolarHBondContact O-N 2.98Å; A241-I243 PolarHBondContact O-N 3.26Å; I243-F245 VanDerWaalsContact C-N 3.3Å; I243-F245 PolarHBondContact O-N 3.24Å; I243-N246 PolarHBondContact O-N 3.47Å; I243-L247 HydrophobicContact CG2-CD1 3.91Å; I243-L247 HydrophobicContact CG2-CG 4.46Å; I243-L247 WeakPolarHBondContact O-CG 3.42Å; I243-L247 PolarHBondContact O-N 3.17Å
244E98.2Very high96.4Very high24 Ų2443 Ų4311%0.11222%0.219CC..Hα-helixtrans-62.8-39.3-179.6-66.6-57.9162.300111.4K240 A241 L247 K248 N249 A253K240-E244 WeakPolarHBondContact O-CG 3.22Å; K240-E244 PolarHBondContact O-N 3.21Å; A241-E244 PolarHBondContact O-N 3.45Å; E244-L247 CarbonylContact O-C 3.49Å; E244-L247 PolarHBondContact O-N 3.25Å; E244-K248 PolarHBondContact O-N 3.02Å; E244-K248 VanDerWaalsContact O-N 3.11Å; E244-N249 HydrophobicContact CB-CB 4.24Å; E244-N249 PolarHBondContact O-N 3.36Å; E244-N249 VanDerWaalsContact OE2-CB 3.31Å; E244-N249 WeakPolarHBondContact OE2-CB 3.42Å; E244-N249 PolarHBondContact OE2-ND2 3.42Å; E244-A253 HydrophobicContact CB-CB 3.83Å
245F96.7Very high96.3Very high68 Ų6846.5 Ų46.530%0.29824%0.236SC..Hα-helixtrans-60.7-46.8174-173.1-91.3000111.7A241 I243 L247 K248 Y250 A253 I279A241-F245 VanDerWaalsContact O-CB 3.25Å; A241-F245 WeakPolarHBondContact O-CB 3.19Å; A241-F245 PolarHBondContact O-N 2.99Å; I243-F245 VanDerWaalsContact C-N 3.3Å; I243-F245 PolarHBondContact O-N 3.24Å; F245-L247 PolarHBondContact O-N 2.85Å; F245-K248 WeakPolarHBondContact O-CA 3.37Å; F245-K248 PolarHBondContact O-N 3.06Å; F245-Y250 AromaticContact CD2-CD1 3.76Å; F245-Y250 HydrophobicContact CD2-CD1 3.76Å; F245-Y250 AromaticContact CD2-CE1 3.91Å; F245-Y250 HydrophobicContact CD2-CE1 3.91Å; F245-Y250 AromaticContact CE2-CD1 3.9Å; F245-Y250 HydrophobicContact CE2-CD1 3.9Å; F245-Y250 AromaticContact CE2-CE1 3.79Å; F245-Y250 HydrophobicContact CE2-CE1 3.79Å; F245-Y250 HydrophobicContact CZ-CE1 4.29Å; F245-A253 HydrophobicContact CB-CB 4.14Å; F245-I279 HydrophobicContact CD2-CG1 3.73Å; F245-I279 HydrophobicContact CE2-CG1 4.31Å
246N95Very high96.2Very high73 Ų7343.9 Ų43.939%0.3922%0.223SC..Hα-helixtrans-63.8-30.4176.4-74.5-26.4000112.9Y182 A242 I243 K248Y182-N246 PolarHBondContact OH-ND2 2.92Å; A242-N246 WeakPolarHBondContact O-CB 3.33Å; A242-N246 VanDerWaalsContact O-CG 3.22Å; A242-N246 PolarHBondContact O-N 3.22Å; A242-N246 PolarHBondContact O-ND2 2.93Å; I243-N246 PolarHBondContact O-N 3.47Å; N246-K248 PolarHBondContact O-N 3.43Å
247L95.2Very high96Very high75 Ų7544.5 Ų44.539%0.39323%0.226SC..THydrogen-bonded Turntrans-79.8-0.7172.7-68.4176.4000113.3Y187 I243 E244 F245 N249Y187-L247 HydrophobicContact CD2-CD2 3.85Å; Y187-L247 HydrophobicContact CD2-CG 4.22Å; Y187-L247 HydrophobicContact CE2-CD2 4.25Å; I243-L247 HydrophobicContact CG2-CD1 3.91Å; I243-L247 HydrophobicContact CG2-CG 4.46Å; I243-L247 WeakPolarHBondContact O-CG 3.42Å; I243-L247 PolarHBondContact O-N 3.17Å; E244-L247 CarbonylContact O-C 3.49Å; E244-L247 PolarHBondContact O-N 3.25Å; F245-L247 PolarHBondContact O-N 2.85Å; L247-N249 PolarHBondContact O-N 2.87Å
248K92.9Very high95.8Very high154 Ų15447 Ų4767%0.6724%0.242SC*.THydrogen-bonded Turntrans64.623.4-177-51.5-179.2-179.7-178.80113.6E244 F245 N246 Y250E244-K248 PolarHBondContact O-N 3.02Å; E244-K248 VanDerWaalsContact O-N 3.11Å; F245-K248 WeakPolarHBondContact O-CA 3.37Å; F245-K248 PolarHBondContact O-N 3.06Å; N246-K248 PolarHBondContact O-N 3.43Å; K248-Y250 HydrophobicContact CB-CE2 4.43Å; K248-Y250 PolarHBondContact O-N 2.92Å
249N94.2Very high95.6Very high74 Ų7448 Ų4840%0.39625%0.247SC..  trans-91.866174.2-64.2-20.7000109.8E244 L247 T251 S252 A253E244-N249 HydrophobicContact CB-CB 4.24Å; E244-N249 PolarHBondContact O-N 3.36Å; E244-N249 VanDerWaalsContact OE2-CB 3.31Å; E244-N249 WeakPolarHBondContact OE2-CB 3.42Å; E244-N249 PolarHBondContact OE2-ND2 3.42Å; L247-N249 PolarHBondContact O-N 2.87Å; N249-T251 VanDerWaalsContact C-N 3.28Å; N249-T251 PolarHBondContact O-N 3.11Å; N249-S252 PolarHBondContact O-N 2.92Å; N249-S252 VanDerWaalsContact O-N 3.13Å; N249-A253 PolarHBondContact O-N 3.08Å
250Y91.8Very high95.5Very high106 Ų10647.9 Ų47.942%0.41625%0.247SC..Hα-helixtrans-60.4-34.6-170.9-54.1-60.2000114F245 K248 A253 S254F245-Y250 AromaticContact CD2-CD1 3.76Å; F245-Y250 HydrophobicContact CD2-CD1 3.76Å; F245-Y250 AromaticContact CD2-CE1 3.91Å; F245-Y250 HydrophobicContact CD2-CE1 3.91Å; F245-Y250 AromaticContact CE2-CD1 3.9Å; F245-Y250 HydrophobicContact CE2-CD1 3.9Å; F245-Y250 AromaticContact CE2-CE1 3.79Å; F245-Y250 HydrophobicContact CE2-CE1 3.79Å; F245-Y250 HydrophobicContact CZ-CE1 4.29Å; K248-Y250 HydrophobicContact CB-CE2 4.43Å; K248-Y250 PolarHBondContact O-N 2.92Å; Y250-A253 PolarHBondContact O-N 3.4Å; Y250-S254 WeakPolarHBondContact O-CB 3.49Å; Y250-S254 PolarHBondContact O-N 3.47Å
251T90.8Very high95.4Very high101 Ų10145.9 Ų45.962%0.6224%0.238SC*.Hα-helixtrans-61.3-51.4174.4-53.60000111N249 A253 S254 E255N249-T251 VanDerWaalsContact C-N 3.28Å; N249-T251 PolarHBondContact O-N 3.11Å; T251-A253 VanDerWaalsContact C-N 3.27Å; T251-A253 PolarHBondContact O-N 3.41Å; T251-S254 WeakPolarHBondContact O-CB 3.32Å; T251-S254 PolarHBondContact O-N 3.36Å; T251-S254 VanDerWaalsContact O-N 3.12Å; T251-E255 WeakPolarHBondContact O-CG 3.44Å; T251-E255 PolarHBondContact O-N 2.96Å
252S94.8Very high95.1Very high41 Ų4146.5 Ų46.529%0.28724%0.242SC..Hα-helixtrans-67.2-28.7178.4-55.50000113N249 A256N249-S252 PolarHBondContact O-N 2.92Å; N249-S252 VanDerWaalsContact O-N 3.13Å; S252-A256 WeakPolarHBondContact O-CB 3.41Å; S252-A256 PolarHBondContact O-N 3.35Å
253A96.5Very high94.9Very high0 Ų047.1 Ų47.10%024%0.24CC..Hα-helixtrans-66-42.1171.600000111.7A241 E244 F245 N249 Y250 T251 A256 L257 I279A241-A253 WeakPolarHBondContact O-CB 3.45Å; E244-A253 HydrophobicContact CB-CB 3.83Å; F245-A253 HydrophobicContact CB-CB 4.14Å; N249-A253 PolarHBondContact O-N 3.08Å; Y250-A253 PolarHBondContact O-N 3.4Å; T251-A253 VanDerWaalsContact C-N 3.27Å; T251-A253 PolarHBondContact O-N 3.41Å; A253-A256 PolarHBondContact O-N 3.47Å; A253-L257 PolarHBondContact O-N 2.97Å; A253-I279 HydrophobicContact CB-CD1 3.89Å; A253-I279 HydrophobicContact CB-CG1 4.13Å; A253-I279 HydrophobicContact CB-CG2 4.41Å
254S94.7Very high94.6Very high32 Ų3249.3 Ų49.322%0.22426%0.255CS..Hα-helixtrans-66.1-46.8175.3-168.80000111.4Y250 T251 A256 L257 T258Y250-S254 WeakPolarHBondContact O-CB 3.49Å; Y250-S254 PolarHBondContact O-N 3.47Å; T251-S254 WeakPolarHBondContact O-CB 3.32Å; T251-S254 PolarHBondContact O-N 3.36Å; T251-S254 VanDerWaalsContact O-N 3.12Å; S254-A256 VanDerWaalsContact C-N 3.27Å; S254-A256 PolarHBondContact O-N 3.04Å; S254-L257 WeakPolarHBondContact O-CB 3.44Å; S254-L257 PolarHBondContact O-N 2.95Å; S254-T258 PolarHBondContact O-N 3.24Å; S254-T258 VanDerWaalsContact O-N 3.08Å
255E94.1Very high94.2Very high87 Ų8754 Ų5441%0.40728%0.277SS..Hα-helixtrans-57.2-39.8175.2-72169176.100112T251 L257 T258 D259T251-E255 WeakPolarHBondContact O-CG 3.44Å; T251-E255 PolarHBondContact O-N 2.96Å; E255-L257 PolarHBondContact O-N 3.38Å; E255-T258 WeakPolarHBondContact CA-OG1 3.5Å; E255-T258 PolarHBondContact O-N 3.14Å; E255-T258 PolarHBondContact O-OG1 3.18Å; E255-T258 VanDerWaalsContact O-OG1 3.04Å; E255-D259 WeakPolarHBondContact O-CB 3.33Å; E255-D259 PolarHBondContact O-N 2.83Å
256A96.9Very high93.9Very high0 Ų060 Ų600%031%0.306CS..Hα-helixtrans-61.2-31.817600000113.1F237 K240 A241 S252 A253 S254F237-A256 WeakPolarHBondContact CB-O 3.29Å; F237-A256 WeakPolarHBondContact CD1-O 3.42Å; K240-A256 HydrophobicContact CB-CB 4.14Å; K240-A256 HydrophobicContact CD-CB 3.75Å; K240-A256 HydrophobicContact CG-CB 3.86Å; A241-A256 HydrophobicContact CB-CB 3.94Å; S252-A256 WeakPolarHBondContact O-CB 3.41Å; S252-A256 PolarHBondContact O-N 3.35Å; A253-A256 PolarHBondContact O-N 3.47Å; S254-A256 VanDerWaalsContact C-N 3.27Å; S254-A256 PolarHBondContact O-N 3.04Å
257L95.6Very high93.8Very high13 Ų1358.1 Ų58.17%0.06830%0.295CS..Hα-helixtrans-78.5-34.9175.3-62.4-175.9000112.3A241 A253 S254 E255 M260 N275 Q276 I279A241-L257 HydrophobicContact CB-CD2 3.58Å; A241-L257 HydrophobicContact CB-CG 3.9Å; A253-L257 PolarHBondContact O-N 2.97Å; S254-L257 WeakPolarHBondContact O-CB 3.44Å; S254-L257 PolarHBondContact O-N 2.95Å; E255-L257 PolarHBondContact O-N 3.38Å; L257-M260 HydrophobicContact CD2-CE 3.47Å; L257-M260 VanDerWaalsContact CD2-CE 3.47Å; L257-M260 HydrophobicContact CD2-SD 4.48Å; L257-M260 WeakPolarHBondContact O-CB 3.49Å; L257-M260 WeakPolarHBondContact O-CG 3.25Å; L257-N275 HydrophobicContact CD1-CB 4.11Å; L257-N275 HydrophobicContact CD2-CB 4.13Å; L257-Q276 HydrophobicContact CD1-CB 4.33Å; L257-Q276 HydrophobicContact CD1-CG 3.78Å; L257-I279 HydrophobicContact CD1-CB 4.37Å; L257-I279 HydrophobicContact CD1-CD1 3.59Å; L257-I279 HydrophobicContact CG-CD1 4.09Å
258T93.1Very high93.8Very high53 Ų5356 Ų5633%0.32528%0.284SS..Hα-helixtrans-76-26.6177.558.80000112.7T213 T214 S254 E255 M260T213-T258 WeakPolarHBondContact CB-O 3.37Å; T214-T258 WeakPolarHBondContact OG1-CB 3.37Å; T214-T258 PolarHBondContact OG1-OG1 3.43Å; S254-T258 PolarHBondContact O-N 3.24Å; S254-T258 VanDerWaalsContact O-N 3.08Å; E255-T258 WeakPolarHBondContact CA-OG1 3.5Å; E255-T258 PolarHBondContact O-N 3.14Å; E255-T258 PolarHBondContact O-OG1 3.18Å; E255-T258 VanDerWaalsContact O-OG1 3.04Å; T258-M260 PolarHBondContact O-N 3.41Å
259D95.2Very high93.9Very high31 Ų3150.9 Ų50.917%0.16626%0.264CS..THydrogen-bonded Turntrans-70.6-13.7175.4-76.4-12.5000113.5V210 G211 T214 F237 K240 E255V210-D259 WeakPolarHBondContact CG1-O 3.45Å; G211-D259 PolarHBondContact N-O 3.24Å; T214-D259 VanDerWaalsContact CB-OD1 3.24Å; T214-D259 WeakPolarHBondContact CB-OD1 3.41Å; T214-D259 PolarHBondContact OG1-N 2.95Å; T214-D259 PolarHBondContact OG1-OD1 3.13Å; F237-D259 HydrophobicContact CD1-CB 4.05Å; F237-D259 HydrophobicContact CE1-CB 3.4Å; F237-D259 VanDerWaalsContact CE1-CB 3.4Å; F237-D259 HydrophobicContact CZ-CB 3.81Å; K240-D259 IonicContact NZ-OD2 3.88Å; E255-D259 WeakPolarHBondContact O-CB 3.33Å; E255-D259 PolarHBondContact O-N 2.83Å
260M96.3Very high94Very high8 Ų850.2 Ų50.24%0.03926%0.258CS..SBendtrans-57.4149.6177.5-71.6-176.9-178.300111.6I234 F237 N238 L257 T258 T272I234-M260 HydrophobicContact CD1-CB 4.5Å; F237-M260 HydrophobicContact CB-CE 3.44Å; F237-M260 VanDerWaalsContact CB-CE 3.44Å; F237-M260 HydrophobicContact CB-CG 3.42Å; F237-M260 VanDerWaalsContact CB-CG 3.42Å; F237-M260 HydrophobicContact CB-SD 4.26Å; F237-M260 HydrophobicContact CD2-CB 4.47Å; F237-M260 HydrophobicContact CD2-CG 3.97Å; F237-M260 HydrophobicContact CG-CG 3.81Å; N238-M260 HydrophobicContact CB-CE 4.19Å; N238-M260 VanDerWaalsContact N-CE 3.33Å; N238-M260 WeakPolarHBondContact OD1-CE 3.49Å; L257-M260 HydrophobicContact CD2-CE 3.47Å; L257-M260 VanDerWaalsContact CD2-CE 3.47Å; L257-M260 HydrophobicContact CD2-SD 4.48Å; L257-M260 WeakPolarHBondContact O-CB 3.49Å; L257-M260 WeakPolarHBondContact O-CG 3.25Å; T258-M260 PolarHBondContact O-N 3.41Å; M260-T272 HydrophobicContact CE-CG2 4.47Å; M260-T272 HydrophobicContact SD-CG2 3.94Å
261P95.9Very high94.3Very high2 Ų249.5 Ų49.51%0.01326%0.261CS..  trans-45.6126.9163.9-31.638.1000111.5L208 V210 V222 L228 L233 I234 R263L208-P261 HydrophobicContact CB-CB 4.36Å; L208-P261 HydrophobicContact CB-CG 4.24Å; L208-P261 WeakPolarHBondContact O-CA 3.34Å; L208-P261 WeakPolarHBondContact O-CB 3.41Å; V210-P261 HydrophobicContact CG2-CG 3.89Å; V222-P261 HydrophobicContact CG2-CB 3.94Å; L228-P261 HydrophobicContact CD1-CB 3.77Å; L228-P261 HydrophobicContact CD1-CG 3.65Å; L233-P261 HydrophobicContact CB-CG 4.17Å; L233-P261 HydrophobicContact CD1-CG 3.96Å; I234-P261 HydrophobicContact CD1-CB 4.37Å; I234-P261 HydrophobicContact CD1-CG 4.26Å; P261-R263 PolarHBondContact O-N 2.76Å
262P93.7Very high94.6Very high13 Ų1344.7 Ų44.78%0.08423%0.231CC..  trans-69.1131.2-169.624.5-29.9000110.5L208 V219 S221 V222L208-P262 VanDerWaalsContact O-CD 3.3Å; L208-P262 WeakPolarHBondContact O-CD 3.33Å; V219-P262 HydrophobicContact CB-CB 4.11Å; V219-P262 HydrophobicContact CB-CG 3.72Å; V219-P262 HydrophobicContact CG1-CB 4.38Å; V219-P262 HydrophobicContact CG1-CG 3.49Å; V219-P262 VanDerWaalsContact CG1-CG 3.49Å; S221-P262 CarbonylContact C-O 3.59Å; S221-P262 VanDerWaalsContact CA-O 3.29Å; S221-P262 WeakPolarHBondContact CA-O 3.37Å; V222-P262 HydrophobicContact CG1-CG 4.19Å; V222-P262 WeakPolarHBondContact CG2-O 3.38Å; V222-P262 PolarHBondContact N-O 3.44Å
263R93.7Very high94.8Very high34 Ų3443.3 Ų43.313%0.12822%0.221CC..  trans-137.7152.7-179.5-70.3177.7-68.5162.55.8109.1N224 I234 P261 E267 L268 D269N224-R263 WeakPolarHBondContact OD1-CD 3.34Å; I234-R263 VanDerWaalsContact CD1-CZ 3.46Å; I234-R263 VanDerWaalsContact CG2-NH2 3.28Å; P261-R263 PolarHBondContact O-N 2.76Å; R263-E267 HydrophobicContact CB-CB 4.11Å; R263-L268 HydrophobicContact CB-CD2 3.97Å; R263-D269 IonicContact CZ-OD2 3.5Å; R263-D269 IonicContact NH1-OD2 2.74Å; R263-D269 PolarHBondContact NH1-OD2 3.39Å; R263-D269 IonicContact NH2-OD2 3.93Å; R263-D269 PolarHBondContact NH2-OD2 2.72Å
264S91.2Very high94.8Very high47 Ų4743.8 Ų43.833%0.32922%0.223SC..  trans-69.1158.7169.3630000110.3E266 E267 L268S264-E266 PolarHBondContact O-N 2.96Å; S264-E267 WeakPolarHBondContact CB-OE2 3.38Å; S264-E267 PolarHBondContact N-OE2 3.47Å; S264-E267 WeakPolarHBondContact O-CB 3.47Å; S264-E267 PolarHBondContact O-N 3.47Å; S264-E267 VanDerWaalsContact OG-CG 3.27Å; S264-E267 WeakPolarHBondContact OG-CG 3.38Å; S264-E267 PolarHBondContact OG-OE2 2.98Å; S264-L268 PolarHBondContact O-N 3.1Å
265E90Very high95Very high122 Ų12243.2 Ų43.257%0.5722%0.217SC*.G310 helixtrans-59.8-35.8-178.4-172.5159.6-146.900112.7E267 L268 K291E265-E267 PolarHBondContact O-N 3.42Å; E265-L268 HydrophobicContact CG-CD1 4.44Å; E265-L268 WeakPolarHBondContact O-CB 3.48Å; E265-L268 PolarHBondContact O-N 3.39Å; E265-K291 WeakPolarHBondContact OE1-CE 3.42Å; E265-K291 IonicContact OE1-NZ 2.9Å; E265-K291 PolarHBondContact OE1-NZ 3.35Å
266E90.8Very high95.1Very high193 Ų19340.9 Ų40.990%0.90221%0.206SC*.G310 helixtrans-65.4-22.3175.1-60.4178.6-179.100113.4S264S264-E266 PolarHBondContact O-N 2.96Å
267E92.3Very high95.1Very high35 Ų3541 Ų4116%0.16421%0.207CC..G310 helixtrans-92.8-4.5179.6-70.8167.5141.700112.4K22 S221 G223 N224 R263 S264 E265K22-E267 IonicContact NZ-OE1 2.74Å; S221-E267 WeakPolarHBondContact CB-OE2 3.49Å; S221-E267 PolarHBondContact OG-OE2 2.9Å; G223-E267 WeakPolarHBondContact CA-OE1 3.29Å; N224-E267 PolarHBondContact ND2-O 2.67Å; N224-E267 PolarHBondContact OD1-O 3.29Å; R263-E267 HydrophobicContact CB-CB 4.11Å; S264-E267 WeakPolarHBondContact CB-OE2 3.38Å; S264-E267 PolarHBondContact N-OE2 3.47Å; S264-E267 WeakPolarHBondContact O-CB 3.47Å; S264-E267 PolarHBondContact O-N 3.47Å; S264-E267 VanDerWaalsContact OG-CG 3.27Å; S264-E267 WeakPolarHBondContact OG-CG 3.38Å; S264-E267 PolarHBondContact OG-OE2 2.98Å; E265-E267 PolarHBondContact O-N 3.42Å
268L94.8Very high95.1Very high29 Ų2941.8 Ų41.815%0.15221%0.212CC..  trans-74.6135.8179.7-60.6-179.1000111.2R263 S264 E265 T272R263-L268 HydrophobicContact CB-CD2 3.97Å; S264-L268 PolarHBondContact O-N 3.1Å; E265-L268 HydrophobicContact CG-CD1 4.44Å; E265-L268 WeakPolarHBondContact O-CB 3.48Å; E265-L268 PolarHBondContact O-N 3.39Å; L268-T272 HydrophobicContact CB-CG2 4.49Å; L268-T272 HydrophobicContact CD1-CG2 4.32Å; L268-T272 HydrophobicContact CD2-CG2 4.07Å
269D94.9Very high95.3Very high48 Ų4840.1 Ų40.126%0.25720%0.2SC..  trans-71.7159171.361.394.3000111.3I234 R263 I271 T272 L273I234-D269 WeakPolarHBondContact CG2-OD2 2.68Å; R263-D269 IonicContact CZ-OD2 3.5Å; R263-D269 IonicContact NH1-OD2 2.74Å; R263-D269 PolarHBondContact NH1-OD2 3.39Å; R263-D269 IonicContact NH2-OD2 3.93Å; R263-D269 PolarHBondContact NH2-OD2 2.72Å; D269-I271 PolarHBondContact O-N 3.04Å; D269-I271 WeakPolarHBondContact OD1-CB 2.92Å; D269-I271 PolarHBondContact OD1-N 3.38Å; D269-T272 PolarHBondContact O-N 3.44Å; D269-T272 PolarHBondContact OD1-N 2.93Å; D269-T272 PolarHBondContact OD1-OG1 2.88Å; D269-T272 PolarHBondContact OD2-OG1 3.14Å; D269-L273 PolarHBondContact O-N 3.27Å
270H97Very high95.1Very high59 Ų5940.7 Ų40.727%0.27320%0.203SC..Hα-helixtrans-62.8-28.5-174.4-62175.1000113.4H274 L295 T300 P302H270-H274 VanDerWaalsContact O-CB 3.3Å; H270-H274 WeakPolarHBondContact O-CB 3.47Å; H270-H274 PolarHBondContact O-N 3.47Å; H270-L295 HydrophobicContact CB-CD2 3.6Å; H270-T300 PolarHBondContact CE1-O 3.39Å; H270-T300 PolarHBondContact ND1-O 2.83Å; H270-P302 HydrophobicContact CB-CG 4.31Å
271I98Very high95Very high92 Ų9240.5 Ų40.547%0.47220%0.203SC..Hα-helixtrans-72.4-46.4177.7-62.1172.6000109.6N238 D269 L273 H274 N275 P302N238-I271 HydrophobicContact CB-CG2 4.09Å; D269-I271 PolarHBondContact O-N 3.04Å; D269-I271 WeakPolarHBondContact OD1-CB 2.92Å; D269-I271 PolarHBondContact OD1-N 3.38Å; I271-L273 VanDerWaalsContact C-N 3.31Å; I271-L273 PolarHBondContact O-N 2.86Å; I271-H274 PolarHBondContact O-N 2.87Å; I271-N275 WeakPolarHBondContact O-CB 3.5Å; I271-N275 VanDerWaalsContact O-CG 3.27Å; I271-N275 PolarHBondContact O-N 3.14Å; I271-N275 PolarHBondContact O-ND2 2.9Å; I271-P302 HydrophobicContact CG1-CG 4.11Å
272T98Very high94.6Very high0 Ų047 Ų470%023%0.233CC..Hα-helixtrans-57.9-45.4173.6-67.20000111.1N238 M260 L268 D269 H274 N275 Q276N238-T272 PolarHBondContact ND2-OG1 3.3Å; N238-T272 WeakPolarHBondContact OD1-CA 3.47Å; N238-T272 PolarHBondContact OD1-OG1 3.4Å; M260-T272 HydrophobicContact CE-CG2 4.47Å; M260-T272 HydrophobicContact SD-CG2 3.94Å; L268-T272 HydrophobicContact CB-CG2 4.49Å; L268-T272 HydrophobicContact CD1-CG2 4.32Å; L268-T272 HydrophobicContact CD2-CG2 4.07Å; D269-T272 PolarHBondContact O-N 3.44Å; D269-T272 PolarHBondContact OD1-N 2.93Å; D269-T272 PolarHBondContact OD1-OG1 2.88Å; D269-T272 PolarHBondContact OD2-OG1 3.14Å; T272-H274 PolarHBondContact O-N 3.36Å; T272-N275 PolarHBondContact O-N 3.45Å; T272-Q276 HydrophobicContact CG2-CG 4.33Å; T272-Q276 WeakPolarHBondContact O-CB 3.48Å; T272-Q276 WeakPolarHBondContact O-CG 3.27Å; T272-Q276 PolarHBondContact O-N 3.36Å
273L97.6Very high94.2Very high12 Ų1251.4 Ų51.46%0.06325%0.254CS..Hα-helixtrans-62.4-43.6179.9-16669.2000112.2D269 I271 Q276 A277 K291 F294 L295D269-L273 PolarHBondContact O-N 3.27Å; I271-L273 VanDerWaalsContact C-N 3.31Å; I271-L273 PolarHBondContact O-N 2.86Å; L273-Q276 PolarHBondContact O-N 3.02Å; L273-A277 WeakPolarHBondContact O-CB 3.43Å; L273-A277 PolarHBondContact O-N 3.43Å; L273-K291 HydrophobicContact CD1-CB 4.4Å; L273-K291 HydrophobicContact CD1-CD 3.6Å; L273-K291 HydrophobicContact CD1-CG 3.79Å; L273-K291 HydrophobicContact CG-CB 4.13Å; L273-K291 HydrophobicContact CG-CD 4.16Å; L273-K291 HydrophobicContact CG-CG 4.07Å; L273-F294 HydrophobicContact CD2-CD1 3.54Å; L273-F294 HydrophobicContact CD2-CE1 3.83Å; L273-L295 HydrophobicContact CB-CD2 4.48Å; L273-L295 HydrophobicContact CD2-CD2 4.01Å; L273-L295 HydrophobicContact CD2-CG 4.07Å
274H98.2Very high93.9Very high9 Ų954.4 Ų54.44%0.04227%0.27CS..Hα-helixtrans-61-47.9174.9173-90.2000111.7H270 I271 T272 Q276 A277 L278 L295 P302 T305 N308H270-H274 VanDerWaalsContact O-CB 3.3Å; H270-H274 WeakPolarHBondContact O-CB 3.47Å; H270-H274 PolarHBondContact O-N 3.47Å; I271-H274 PolarHBondContact O-N 2.87Å; T272-H274 PolarHBondContact O-N 3.36Å; H274-Q276 PolarHBondContact O-N 2.95Å; H274-A277 WeakPolarHBondContact O-CB 3.4Å; H274-A277 PolarHBondContact O-N 3.12Å; H274-L278 WeakPolarHBondContact CE1-CD1 3.39Å; H274-L278 WeakPolarHBondContact O-CG 3.29Å; H274-L278 PolarHBondContact O-N 3.38Å; H274-L295 HydrophobicContact CB-CD1 3.65Å; H274-P302 HydrophobicContact CB-CB 4.49Å; H274-P302 HydrophobicContact CB-CG 3.93Å; H274-T305 PolarHBondContact CD2-OG1 3.27Å; H274-N308 PolarHBondContact CE1-ND2 3.32Å; H274-N308 PolarHBondContact NE2-ND2 3.31Å
275N98Very high94Very high21 Ų2153.6 Ų53.611%0.11226%0.263CS..Hα-helixtrans-63.8-42.1-179.6-73-15000111.8N238 L257 I271 T272 A277 L278 I279N238-N275 PolarHBondContact OD1-ND2 3.33Å; L257-N275 HydrophobicContact CD1-CB 4.11Å; L257-N275 HydrophobicContact CD2-CB 4.13Å; I271-N275 WeakPolarHBondContact O-CB 3.5Å; I271-N275 VanDerWaalsContact O-CG 3.27Å; I271-N275 PolarHBondContact O-N 3.14Å; I271-N275 PolarHBondContact O-ND2 2.9Å; T272-N275 PolarHBondContact O-N 3.45Å; N275-A277 VanDerWaalsContact C-N 3.3Å; N275-A277 PolarHBondContact O-N 3.44Å; N275-L278 PolarHBondContact O-N 3.49Å; N275-I279 HydrophobicContact CB-CD1 4.38Å; N275-I279 VanDerWaalsContact O-CB 3.31Å; N275-I279 WeakPolarHBondContact O-CB 3.36Å; N275-I279 WeakPolarHBondContact O-CG1 3.44Å; N275-I279 PolarHBondContact O-N 3.47Å
276Q96.2Very high94Very high38 Ų3851.4 Ų51.418%0.17826%0.256CS..Hα-helixtrans-57.6-44.8172.9-76.1-1781.700111.4L257 T272 L273 H274 L278 N280L257-Q276 HydrophobicContact CD1-CB 4.33Å; L257-Q276 HydrophobicContact CD1-CG 3.78Å; T272-Q276 HydrophobicContact CG2-CG 4.33Å; T272-Q276 WeakPolarHBondContact O-CB 3.48Å; T272-Q276 WeakPolarHBondContact O-CG 3.27Å; T272-Q276 PolarHBondContact O-N 3.36Å; L273-Q276 PolarHBondContact O-N 3.02Å; H274-Q276 PolarHBondContact O-N 2.95Å; Q276-L278 VanDerWaalsContact C-N 3.35Å; Q276-L278 PolarHBondContact O-N 3.18Å; Q276-N280 WeakPolarHBondContact O-CB 3.24Å; Q276-N280 PolarHBondContact O-N 3.03Å; Q276-N280 VanDerWaalsContact O-N 3.12Å
277A96.6Very high94.1Very high2 Ų245.3 Ų45.32%0.01723%0.228CC..Hα-helixtrans-60.3-43.1179.200000112.4L273 H274 N275 M281 K291 L292L273-A277 WeakPolarHBondContact O-CB 3.43Å; L273-A277 PolarHBondContact O-N 3.43Å; H274-A277 WeakPolarHBondContact O-CB 3.4Å; H274-A277 PolarHBondContact O-N 3.12Å; N275-A277 VanDerWaalsContact C-N 3.3Å; N275-A277 PolarHBondContact O-N 3.44Å; A277-M281 WeakPolarHBondContact O-CE 3.41Å; A277-M281 PolarHBondContact O-N 3.31Å; A277-K291 HydrophobicContact CB-CB 3.76Å; A277-K291 HydrophobicContact CB-CD 4.37Å; A277-L292 HydrophobicContact CB-CD1 4.49Å; A277-L292 HydrophobicContact CB-CD2 4.07Å; A277-L292 HydrophobicContact CB-CG 3.86Å
278L96.7Very high94.3Very high30 Ų3043.8 Ų43.816%0.15722%0.222CC..Hα-helixtrans-73.8-46.1-179.9-63.9-172.5000113.3H274 N275 Q276 N280 M281 L292 N308 L312H274-L278 WeakPolarHBondContact CE1-CD1 3.39Å; H274-L278 WeakPolarHBondContact O-CG 3.29Å; H274-L278 PolarHBondContact O-N 3.38Å; N275-L278 PolarHBondContact O-N 3.49Å; Q276-L278 VanDerWaalsContact C-N 3.35Å; Q276-L278 PolarHBondContact O-N 3.18Å; L278-N280 VanDerWaalsContact C-N 3.33Å; L278-N280 PolarHBondContact O-N 2.9Å; L278-M281 VanDerWaalsContact O-CB 3.29Å; L278-M281 WeakPolarHBondContact O-CB 3.43Å; L278-M281 PolarHBondContact O-N 3.05Å; L278-L292 HydrophobicContact CD2-CD1 4.3Å; L278-N308 HydrophobicContact CD2-CB 3.99Å; L278-L312 HydrophobicContact CD2-CD1 3.53Å
279I96.1Very high94.4Very high17 Ų1743 Ų439%0.08722%0.218CC..Hα-helixtrans-68.2-36.2-173.6-75.4161.7000111A241 F245 A253 L257 N275A241-I279 HydrophobicContact CB-CD1 3.92Å; F245-I279 HydrophobicContact CD2-CG1 3.73Å; F245-I279 HydrophobicContact CE2-CG1 4.31Å; A253-I279 HydrophobicContact CB-CD1 3.89Å; A253-I279 HydrophobicContact CB-CG1 4.13Å; A253-I279 HydrophobicContact CB-CG2 4.41Å; L257-I279 HydrophobicContact CD1-CB 4.37Å; L257-I279 HydrophobicContact CD1-CD1 3.59Å; L257-I279 HydrophobicContact CG-CD1 4.09Å; N275-I279 HydrophobicContact CB-CD1 4.38Å; N275-I279 VanDerWaalsContact O-CB 3.31Å; N275-I279 WeakPolarHBondContact O-CB 3.36Å; N275-I279 WeakPolarHBondContact O-CG1 3.44Å; N275-I279 PolarHBondContact O-N 3.47Å
280N91.7Very high94.5Very high44 Ų4446.6 Ų46.624%0.23523%0.233CC..THydrogen-bonded Turntrans-92.96.3-178.6-63.1-22.2000113.7Q276 L278 E282 I283 E284Q276-N280 WeakPolarHBondContact O-CB 3.24Å; Q276-N280 PolarHBondContact O-N 3.03Å; Q276-N280 VanDerWaalsContact O-N 3.12Å; L278-N280 VanDerWaalsContact C-N 3.33Å; L278-N280 PolarHBondContact O-N 2.9Å; N280-E282 VanDerWaalsContact C-N 3.26Å; N280-E282 PolarHBondContact O-N 3.29Å; N280-I283 PolarHBondContact O-N 3.37Å; N280-E284 PolarHBondContact O-N 2.95Å
281M93.3Very high94.5Very high4 Ų445 Ų452%0.0223%0.225CC..THydrogen-bonded Turntrans-59.3-31.9-173.6-172.456.57200114.1A277 L278 I283 P285 F289 L292 L312 Y316A277-M281 WeakPolarHBondContact O-CE 3.41Å; A277-M281 PolarHBondContact O-N 3.31Å; L278-M281 VanDerWaalsContact O-CB 3.29Å; L278-M281 WeakPolarHBondContact O-CB 3.43Å; L278-M281 PolarHBondContact O-N 3.05Å; M281-I283 VanDerWaalsContact C-N 3.31Å; M281-P285 HydrophobicContact SD-CB 3.92Å; M281-F289 HydrophobicContact SD-CE2 4.2Å; M281-F289 HydrophobicContact SD-CZ 4.31Å; M281-L292 HydrophobicContact CE-CD1 4.18Å; M281-L312 HydrophobicContact CE-CD1 3.51Å; M281-L312 HydrophobicContact CE-CD2 4.27Å; M281-L312 HydrophobicContact CE-CG 4.33Å; M281-L312 HydrophobicContact CG-CD2 3.72Å; M281-L312 HydrophobicContact SD-CD2 4.4Å; M281-Y316 HydrophobicContact CG-CE2 3.88Å; M281-Y316 PolarHBondContact O-OH 2.7Å; M281-Y316 HydrophobicContact SD-CE2 4.23Å
282E87.1Confident94.5Very high139 Ų13940.6 Ų40.665%0.6520%0.203SC*.THydrogen-bonded Turntrans-75.5-19.2176.9-62.7-165.5161.300113.6N280N280-E282 VanDerWaalsContact C-N 3.26Å; N280-E282 PolarHBondContact O-N 3.29Å
283I86.3Confident94.4Very high105 Ų10544.2 Ų44.254%0.53822%0.22SC..THydrogen-bonded Turntrans-97.1-49.5-177.4-50.1177.6000109.7N280 M281N280-I283 PolarHBondContact O-N 3.37Å; M281-I283 VanDerWaalsContact C-N 3.31Å
284E87.3Confident94.3Very high96 Ų9648.2 Ų48.245%0.44924%0.236SC..  trans-135.772.9-173.6-63.6-178.6115.600110.7N280 D286 I287 G288N280-E284 PolarHBondContact O-N 2.95Å; E284-D286 VanDerWaalsContact C-N 3.26Å; E284-D286 PolarHBondContact O-N 2.96Å; E284-I287 HydrophobicContact CB-CB 4.27Å; E284-I287 HydrophobicContact CB-CD1 4.1Å; E284-I287 HydrophobicContact CB-CG1 4.3Å; E284-I287 HydrophobicContact CG-CD1 4.4Å; E284-I287 PolarHBondContact O-N 2.8Å; E284-G288 PolarHBondContact O-N 3.31Å; E284-G288 VanDerWaalsContact O-N 3.13Å
285P93Very high94.3Very high30 Ų3047.8 Ų47.820%0.19524%0.235CC..Hα-helixtrans-60.4-35.5-176.422.8-33.1000112.8M281 I287 G288 F289 Y316M281-P285 HydrophobicContact SD-CB 3.92Å; P285-I287 PolarHBondContact O-N 3.19Å; P285-G288 PolarHBondContact O-N 2.98Å; P285-F289 HydrophobicContact CB-CD2 4.38Å; P285-F289 HydrophobicContact CB-CE2 4.11Å; P285-F289 WeakPolarHBondContact O-CD2 3.27Å; P285-F289 PolarHBondContact O-N 3.31Å; P285-Y316 HydrophobicContact CB-CD1 4.46Å; P285-Y316 HydrophobicContact CB-CE1 3.86Å; P285-Y316 HydrophobicContact CG-CE1 4.26Å
286D90.4Very high94.2Very high76 Ų7648 Ų4841%0.40624%0.236SC..Hα-helixtrans-62.4-44.9-178.4-61.5-27.8000111.9E284 G288 F289 Q290 P646E284-D286 VanDerWaalsContact C-N 3.26Å; E284-D286 PolarHBondContact O-N 2.96Å; D286-G288 VanDerWaalsContact C-N 3.34Å; D286-F289 PolarHBondContact O-N 3.04Å; D286-Q290 VanDerWaalsContact O-CG 3.28Å; D286-Q290 WeakPolarHBondContact O-CG 3.36Å; D286-Q290 PolarHBondContact O-N 3.13Å; D286-P646 WeakPolarHBondContact OD1-CB 3.43Å
287I93.4Very high94.1Very high65 Ų6553.7 Ų53.733%0.33326%0.262SS..Hα-helixtrans-65.6-41.4175.6-60.1179.6000109.8E284 P285 F289 Q290 K291E284-I287 HydrophobicContact CB-CB 4.27Å; E284-I287 HydrophobicContact CB-CD1 4.1Å; E284-I287 HydrophobicContact CB-CG1 4.3Å; E284-I287 HydrophobicContact CG-CD1 4.4Å; E284-I287 PolarHBondContact O-N 2.8Å; P285-I287 PolarHBondContact O-N 3.19Å; I287-F289 PolarHBondContact O-N 3.08Å; I287-Q290 PolarHBondContact O-N 3.23Å; I287-K291 HydrophobicContact CG2-CD 4.11Å; I287-K291 HydrophobicContact CG2-CG 4.47Å; I287-K291 WeakPolarHBondContact O-CG 3.4Å; I287-K291 PolarHBondContact O-N 2.89Å
288G96Very high94Very high3 Ų356.3 Ų56.33%0.03127%0.274CS..Hα-helixtrans-58.3-46.4176.200000112.7E284 P285 D286 K291 L292E284-G288 PolarHBondContact O-N 3.31Å; E284-G288 VanDerWaalsContact O-N 3.13Å; P285-G288 PolarHBondContact O-N 2.98Å; D286-G288 VanDerWaalsContact C-N 3.34Å; G288-K291 PolarHBondContact O-N 3.35Å; G288-L292 WeakPolarHBondContact O-CG 3.45Å; G288-L292 PolarHBondContact O-N 3.33Å; G288-L292 VanDerWaalsContact O-N 3.14Å
289F97.3Very high93.6Very high13 Ų1364.2 Ų64.26%0.05731%0.31CS..Hα-helixtrans-65.4-43176.8-72.8-59.9000112.4M281 P285 D286 I287 K291 L292 Q293 L309 L312 Y313 Y316 Y318M281-F289 HydrophobicContact SD-CE2 4.2Å; M281-F289 HydrophobicContact SD-CZ 4.31Å; P285-F289 HydrophobicContact CB-CD2 4.38Å; P285-F289 HydrophobicContact CB-CE2 4.11Å; P285-F289 WeakPolarHBondContact O-CD2 3.27Å; P285-F289 PolarHBondContact O-N 3.31Å; D286-F289 PolarHBondContact O-N 3.04Å; I287-F289 PolarHBondContact O-N 3.08Å; F289-K291 VanDerWaalsContact C-N 3.32Å; F289-K291 PolarHBondContact O-N 3.12Å; F289-L292 PolarHBondContact O-N 3.35Å; F289-Q293 WeakPolarHBondContact O-CB 3.33Å; F289-Q293 WeakPolarHBondContact O-CG 3.31Å; F289-Q293 PolarHBondContact O-N 3.37Å; F289-L309 HydrophobicContact CD1-CD1 3.79Å; F289-L309 HydrophobicContact CE1-CD1 4.33Å; F289-L312 HydrophobicContact CE1-CB 3.69Å; F289-L312 HydrophobicContact CZ-CB 4.12Å; F289-Y313 AromaticContact CD1-CD1 3.69Å; F289-Y313 HydrophobicContact CD1-CD1 3.69Å; F289-Y313 AromaticContact CD1-CE1 3.34Å; F289-Y313 HydrophobicContact CD1-CE1 3.34Å; F289-Y313 AromaticContact CE1-CD1 3.31Å; F289-Y313 HydrophobicContact CE1-CD1 3.31Å; F289-Y313 AromaticContact CE1-CE1 3.53Å; F289-Y313 HydrophobicContact CE1-CE1 3.53Å; F289-Y313 HydrophobicContact CE1-CG 4.29Å; F289-Y313 HydrophobicContact CG-CE1 4.03Å; F289-Y313 AromaticContact CZ-CD1 3.98Å; F289-Y313 HydrophobicContact CZ-CD1 3.98Å; F289-Y313 HydrophobicContact CZ-CE1 4.36Å; F289-Y316 HydrophobicContact CE2-CD2 4.42Å; F289-Y316 HydrophobicContact CE2-CG 4.31Å; F289-Y316 AromaticContact CZ-CD2 3.98Å; F289-Y316 HydrophobicContact CZ-CD2 3.98Å; F289-Y316 HydrophobicContact CZ-CG 4.15Å; F289-Y318 HydrophobicContact CD2-CE2 4.2Å; F289-Y318 AromaticContact CE2-CD2 4Å; F289-Y318 HydrophobicContact CE2-CD2 4Å; F289-Y318 AromaticContact CE2-CE2 3.6Å; F289-Y318 HydrophobicContact CE2-CE2 3.6Å; F289-Y318 AromaticContact CZ-CD2 3.98Å; F289-Y318 HydrophobicContact CZ-CD2 3.98Å; F289-Y318 HydrophobicContact CZ-CE2 4.05Å
290Q95.9Very high93.3Very high124 Ų12468.2 Ų68.258%0.57934%0.336SS*.Hα-helixtrans-57.7-44.6176.7-73.9172.917.600111.7D286 I287 Q293 F294D286-Q290 VanDerWaalsContact O-CG 3.28Å; D286-Q290 WeakPolarHBondContact O-CG 3.36Å; D286-Q290 PolarHBondContact O-N 3.13Å; I287-Q290 PolarHBondContact O-N 3.23Å; Q290-Q293 PolarHBondContact O-N 3.18Å; Q290-F294 WeakPolarHBondContact O-CB 3.36Å; Q290-F294 PolarHBondContact O-N 3.22Å
291K97Very high93.5Very high25 Ų2567.7 Ų67.711%0.10933%0.331CS..Hα-helixtrans-62.3-46177.7-74.4-178.8174.7-1690112.6E265 L273 A277 I287 G288 F289 F294 L295E265-K291 WeakPolarHBondContact OE1-CE 3.42Å; E265-K291 IonicContact OE1-NZ 2.9Å; E265-K291 PolarHBondContact OE1-NZ 3.35Å; L273-K291 HydrophobicContact CD1-CB 4.4Å; L273-K291 HydrophobicContact CD1-CD 3.6Å; L273-K291 HydrophobicContact CD1-CG 3.79Å; L273-K291 HydrophobicContact CG-CB 4.13Å; L273-K291 HydrophobicContact CG-CD 4.16Å; L273-K291 HydrophobicContact CG-CG 4.07Å; A277-K291 HydrophobicContact CB-CB 3.76Å; A277-K291 HydrophobicContact CB-CD 4.37Å; I287-K291 HydrophobicContact CG2-CD 4.11Å; I287-K291 HydrophobicContact CG2-CG 4.47Å; I287-K291 WeakPolarHBondContact O-CG 3.4Å; I287-K291 PolarHBondContact O-N 2.89Å; G288-K291 PolarHBondContact O-N 3.35Å; F289-K291 VanDerWaalsContact C-N 3.32Å; F289-K291 PolarHBondContact O-N 3.12Å; K291-F294 PolarHBondContact O-N 3.13Å; K291-L295 VanDerWaalsContact O-CG 3.31Å; K291-L295 WeakPolarHBondContact O-CG 3.26Å; K291-L295 PolarHBondContact O-N 3.24Å
292L97.9Very high93.6Very high0 Ų068.4 Ų68.40%034%0.336CS..Hα-helixtrans-67.4-38.3179.3-67.5172.7000112.4A277 L278 M281 G288 F289 L295 L296 T305 L309 L312A277-L292 HydrophobicContact CB-CD1 4.49Å; A277-L292 HydrophobicContact CB-CD2 4.07Å; A277-L292 HydrophobicContact CB-CG 3.86Å; L278-L292 HydrophobicContact CD2-CD1 4.3Å; M281-L292 HydrophobicContact CE-CD1 4.18Å; G288-L292 WeakPolarHBondContact O-CG 3.45Å; G288-L292 PolarHBondContact O-N 3.33Å; G288-L292 VanDerWaalsContact O-N 3.14Å; F289-L292 PolarHBondContact O-N 3.35Å; L292-L295 HydrophobicContact CD2-CD1 4.42Å; L292-L295 PolarHBondContact O-N 2.59Å; L292-L296 PolarHBondContact O-N 3.47Å; L292-T305 HydrophobicContact CD2-CG2 3.99Å; L292-L309 HydrophobicContact CB-CB 4.4Å; L292-L309 HydrophobicContact CB-CD1 3.9Å; L292-L309 HydrophobicContact CD1-CB 4.48Å; L292-L309 HydrophobicContact CD1-CD1 4.18Å; L292-L312 HydrophobicContact CD1-CD1 3.56Å
293Q96.5Very high93.9Very high76 Ų7664.6 Ų64.636%0.35533%0.325SS..Hα-helixtrans-64.8-43.9173.8-74.1177.2-28.700111.7F289 Q290 L295 L296 Q297 L309 Y313F289-Q293 WeakPolarHBondContact O-CB 3.33Å; F289-Q293 WeakPolarHBondContact O-CG 3.31Å; F289-Q293 PolarHBondContact O-N 3.37Å; Q290-Q293 PolarHBondContact O-N 3.18Å; Q293-L295 VanDerWaalsContact C-N 3.3Å; Q293-L295 PolarHBondContact O-N 3.28Å; Q293-L296 PolarHBondContact O-N 2.91Å; Q293-Q297 PolarHBondContact O-N 3.39Å; Q293-L309 HydrophobicContact CG-CD2 4.33Å; Q293-Y313 PolarHBondContact NE2-OH 3.29Å
294F96.4Very high94.4Very high95 Ų9564.6 Ų64.642%0.41732%0.323SS..Hα-helixtrans-57.1-44.7174.9169.1-94.7000111.4L273 Q290 K291 L296 Q297 Q298L273-F294 HydrophobicContact CD2-CD1 3.54Å; L273-F294 HydrophobicContact CD2-CE1 3.83Å; Q290-F294 WeakPolarHBondContact O-CB 3.36Å; Q290-F294 PolarHBondContact O-N 3.22Å; K291-F294 PolarHBondContact O-N 3.13Å; F294-L296 VanDerWaalsContact C-N 3.35Å; F294-L296 PolarHBondContact O-N 3.06Å; F294-Q297 WeakPolarHBondContact O-CB 3.44Å; F294-Q297 PolarHBondContact O-N 3.43Å; F294-Q297 VanDerWaalsContact O-N 3.09Å; F294-Q298 HydrophobicContact CD1-CG 4.45Å; F294-Q298 HydrophobicContact CE1-CG 4.06Å; F294-Q298 HydrophobicContact CZ-CG 4.34Å; F294-Q298 VanDerWaalsContact CZ-NE2 3.29Å; F294-Q298 WeakPolarHBondContact O-CG 3.43Å; F294-Q298 PolarHBondContact O-NE2 3.49Å
295L97.6Very high94.9Very high0 Ų060 Ų600%030%0.301CS..Hα-helixtrans-59.7-41.8178.2-75171.4000112.6H270 L273 H274 K291 L292 Q293 Q297 Q298 F301 T305H270-L295 HydrophobicContact CB-CD2 3.6Å; L273-L295 HydrophobicContact CB-CD2 4.48Å; L273-L295 HydrophobicContact CD2-CD2 4.01Å; L273-L295 HydrophobicContact CD2-CG 4.07Å; H274-L295 HydrophobicContact CB-CD1 3.65Å; K291-L295 VanDerWaalsContact O-CG 3.31Å; K291-L295 WeakPolarHBondContact O-CG 3.26Å; K291-L295 PolarHBondContact O-N 3.24Å; L292-L295 HydrophobicContact CD2-CD1 4.42Å; L292-L295 PolarHBondContact O-N 2.59Å; Q293-L295 VanDerWaalsContact C-N 3.3Å; Q293-L295 PolarHBondContact O-N 3.28Å; L295-Q297 PolarHBondContact O-N 3.06Å; L295-Q298 WeakPolarHBondContact O-CB 3.38Å; L295-Q298 PolarHBondContact O-N 3.19Å; L295-F301 HydrophobicContact CB-CB 4.26Å; L295-F301 WeakPolarHBondContact O-CB 3.29Å; L295-F301 WeakPolarHBondContact O-CD1 3.35Å; L295-T305 HydrophobicContact CB-CG2 3.75Å; L295-T305 HydrophobicContact CD1-CG2 4.18Å
296L95.6Very high95.1Very high27 Ų2758.6 Ų58.614%0.14129%0.292CS..Hα-helixtrans-65.5-18.3177.3-71.3-177.8000114L292 Q293 F294 F301 T305 F306 L309 V325 L332L292-L296 PolarHBondContact O-N 3.47Å; Q293-L296 PolarHBondContact O-N 2.91Å; F294-L296 VanDerWaalsContact C-N 3.35Å; F294-L296 PolarHBondContact O-N 3.06Å; L296-F301 HydrophobicContact CD2-CD2 4.17Å; L296-F301 HydrophobicContact CD2-CE1 4.39Å; L296-F301 HydrophobicContact CD2-CE2 3.87Å; L296-F301 HydrophobicContact CD2-CZ 3.99Å; L296-T305 HydrophobicContact CD2-CG2 4Å; L296-T305 HydrophobicContact CG-CG2 4.08Å; L296-F306 HydrophobicContact CD1-CD2 3.97Å; L296-F306 HydrophobicContact CD2-CB 4Å; L296-F306 HydrophobicContact CD2-CD2 3.98Å; L296-F306 HydrophobicContact CD2-CG 4.5Å; L296-L309 HydrophobicContact CD1-CD2 3.39Å; L296-L309 HydrophobicContact CG-CD2 4.45Å; L296-V325 HydrophobicContact CD1-CG1 4.38Å; L296-L332 HydrophobicContact CD2-CD1 4.45Å
297Q94.3Very high95.5Very high157 Ų15755.6 Ų55.673%0.73428%0.278SS*.THydrogen-bonded Turntrans-87-7.7175.9-64.5174.7-1.100112.9Q293 F294 L295Q293-Q297 PolarHBondContact O-N 3.39Å; F294-Q297 WeakPolarHBondContact O-CB 3.44Å; F294-Q297 PolarHBondContact O-N 3.43Å; F294-Q297 VanDerWaalsContact O-N 3.09Å; L295-Q297 PolarHBondContact O-N 3.06Å
298Q93.6Very high95.7Very high57 Ų5754.4 Ų54.427%0.26627%0.272SS..SBendtrans-81.9154.9179.6-54.8-46.3-58.400111.7F294 L295 T300F294-Q298 HydrophobicContact CD1-CG 4.45Å; F294-Q298 HydrophobicContact CE1-CG 4.06Å; F294-Q298 HydrophobicContact CZ-CG 4.34Å; F294-Q298 VanDerWaalsContact CZ-NE2 3.29Å; F294-Q298 WeakPolarHBondContact O-CG 3.43Å; F294-Q298 PolarHBondContact O-NE2 3.49Å; L295-Q298 WeakPolarHBondContact O-CB 3.38Å; L295-Q298 PolarHBondContact O-N 3.19Å; Q298-T300 WeakPolarHBondContact CB-O 3.43Å; Q298-T300 PolarHBondContact O-N 3.39Å
299E88.1Confident95.8Very high195 Ų19554.3 Ų54.391%0.91127%0.271SS*.SBendtrans-59.9-31.7175.6-64-172.9168.400112.6
300T90Very high95.8Very high101 Ų10153.7 Ų53.762%0.6227%0.268SS*.SBendtrans-137.1143.817563.20000109.8H270 Q298H270-T300 PolarHBondContact CE1-O 3.39Å; H270-T300 PolarHBondContact ND1-O 2.83Å; Q298-T300 WeakPolarHBondContact CB-O 3.43Å; Q298-T300 PolarHBondContact O-N 3.39Å
301F95.7Very high95.9Very high34 Ų3450.8 Ų50.815%0.14926%0.256CS..  trans-151.7161.7177.652.4-95.6000110.6L295 L296 S303 L332 Y336L295-F301 HydrophobicContact CB-CB 4.26Å; L295-F301 WeakPolarHBondContact O-CB 3.29Å; L295-F301 WeakPolarHBondContact O-CD1 3.35Å; L296-F301 HydrophobicContact CD2-CD2 4.17Å; L296-F301 HydrophobicContact CD2-CE1 4.39Å; L296-F301 HydrophobicContact CD2-CE2 3.87Å; L296-F301 HydrophobicContact CD2-CZ 3.99Å; F301-S303 PolarHBondContact O-N 3.32Å; F301-L332 HydrophobicContact CZ-CD1 4.09Å; F301-L332 HydrophobicContact CZ-CD2 4.22Å; F301-Y336 HydrophobicContact CE2-CD2 4.44Å; F301-Y336 AromaticContact CE2-CE2 3.95Å; F301-Y336 HydrophobicContact CE2-CE2 3.95Å; F301-Y336 AromaticContact CZ-CE2 3.86Å; F301-Y336 HydrophobicContact CZ-CE2 3.86Å
302P96.7Very high95.9Very high18 Ų1850.6 Ų50.612%0.11726%0.256CS..  trans-58.7131.3175.4-24.334.4000110.9H270 I271 H274 E304 T305H270-P302 HydrophobicContact CB-CG 4.31Å; I271-P302 HydrophobicContact CG1-CG 4.11Å; H274-P302 HydrophobicContact CB-CB 4.49Å; H274-P302 HydrophobicContact CB-CG 3.93Å; P302-E304 PolarHBondContact O-N 2.96Å; P302-T305 WeakPolarHBondContact O-CB 3.29Å; P302-T305 PolarHBondContact O-N 3.24Å; P302-T305 PolarHBondContact O-OG1 3.33Å
303S94.1Very high95.9Very high59 Ų5950.7 Ų50.741%0.41326%0.257SS..THydrogen-bonded Turntrans-55.3-26.8-173.244.30000114.7F301 T305 Y336F301-S303 PolarHBondContact O-N 3.32Å; S303-T305 VanDerWaalsContact C-N 3.33Å; S303-Y336 WeakPolarHBondContact O-CD1 3.4Å
304E95.9Very high95.9Very high105 Ų10547.7 Ų47.749%0.49124%0.243SC..THydrogen-bonded Turntrans-78.3-18.6-178.4-61.186.9156.800112.6P302 F306 A307 N308P302-E304 PolarHBondContact O-N 2.96Å; E304-F306 VanDerWaalsContact C-N 3.33Å; E304-F306 PolarHBondContact O-N 2.84Å; E304-A307 PolarHBondContact O-N 2.87Å; E304-N308 WeakPolarHBondContact CB-ND2 3.45Å; E304-N308 VanDerWaalsContact O-CB 3.29Å; E304-N308 WeakPolarHBondContact O-CB 3.46Å; E304-N308 PolarHBondContact O-N 3.15Å; E304-N308 PolarHBondContact O-ND2 3.43Å
305T97.9Very high95.8Very high0 Ų048.8 Ų48.80%025%0.248CC..Hα-helixtrans-53.4-48.6-174.7-55.80000111.7H274 L292 L295 L296 P302 S303 N308 L309H274-T305 PolarHBondContact CD2-OG1 3.27Å; L292-T305 HydrophobicContact CD2-CG2 3.99Å; L295-T305 HydrophobicContact CB-CG2 3.75Å; L295-T305 HydrophobicContact CD1-CG2 4.18Å; L296-T305 HydrophobicContact CD2-CG2 4Å; L296-T305 HydrophobicContact CG-CG2 4.08Å; P302-T305 WeakPolarHBondContact O-CB 3.29Å; P302-T305 PolarHBondContact O-N 3.24Å; P302-T305 PolarHBondContact O-OG1 3.33Å; S303-T305 VanDerWaalsContact C-N 3.33Å; T305-N308 PolarHBondContact O-N 3.23Å; T305-L309 WeakPolarHBondContact O-CB 3.35Å; T305-L309 PolarHBondContact O-N 3.39Å
306F97.9Very high95.7Very high0 Ų052 Ų520%026%0.26CS..Hα-helixtrans-64.3-49-176-173.4-110.6000112.1L296 E304 L309 L310 V325 L326 N329 L332 A333 L337L296-F306 HydrophobicContact CD1-CD2 3.97Å; L296-F306 HydrophobicContact CD2-CB 4Å; L296-F306 HydrophobicContact CD2-CD2 3.98Å; L296-F306 HydrophobicContact CD2-CG 4.5Å; E304-F306 VanDerWaalsContact C-N 3.33Å; E304-F306 PolarHBondContact O-N 2.84Å; F306-L309 PolarHBondContact O-N 3.23Å; F306-L310 HydrophobicContact CD1-CD1 4.1Å; F306-L310 HydrophobicContact CE1-CD1 3.64Å; F306-L310 HydrophobicContact CE2-CD1 4.39Å; F306-L310 HydrophobicContact CZ-CD1 3.81Å; F306-L310 WeakPolarHBondContact O-CG 3.14Å; F306-L310 PolarHBondContact O-N 3.45Å; F306-V325 HydrophobicContact CD2-CG1 4.42Å; F306-V325 HydrophobicContact CE2-CG1 3.75Å; F306-L326 HydrophobicContact CE1-CD1 4.47Å; F306-L326 HydrophobicContact CZ-CD1 4.35Å; F306-N329 HydrophobicContact CE2-CB 3.6Å; F306-N329 HydrophobicContact CZ-CB 3.87Å; F306-L332 HydrophobicContact CD1-CB 4.29Å; F306-L332 HydrophobicContact CD2-CB 4.24Å; F306-L332 HydrophobicContact CD2-CD1 4.19Å; F306-L332 HydrophobicContact CE1-CB 4.27Å; F306-L332 HydrophobicContact CE2-CB 4.22Å; F306-L332 HydrophobicContact CE2-CD1 4.41Å; F306-L332 HydrophobicContact CG-CB 4.27Å; F306-L332 HydrophobicContact CZ-CB 4.23Å; F306-A333 HydrophobicContact CE1-CB 3.98Å; F306-A333 HydrophobicContact CZ-CB 4.34Å; F306-L337 HydrophobicContact CD1-CD1 4.24Å; F306-L337 HydrophobicContact CD1-CD2 4Å; F306-L337 HydrophobicContact CD1-CG 3.98Å; F306-L337 HydrophobicContact CE1-CD1 3.78Å; F306-L337 HydrophobicContact CE1-CD2 4.37Å; F306-L337 HydrophobicContact CE1-CG 3.97Å
307A97.9Very high95.6Very high13 Ų1355.9 Ų55.911%0.10728%0.278CS..Hα-helixtrans-62.7-45177.700000111.7E304 L310 L311 L337 L341E304-A307 PolarHBondContact O-N 2.87Å; A307-L310 PolarHBondContact O-N 3.2Å; A307-L311 WeakPolarHBondContact O-CB 3.48Å; A307-L311 VanDerWaalsContact O-CG 3.29Å; A307-L311 WeakPolarHBondContact O-CG 3.48Å; A307-L311 PolarHBondContact O-N 3.43Å; A307-L337 HydrophobicContact CB-CD2 3.63Å; A307-L341 HydrophobicContact CB-CD2 4.08Å
308N97.6Very high95.6Very high41 Ų4150.6 Ų50.622%0.21925%0.251CS..Hα-helixtrans-64.9-42.1-178.8-72.4-25.3000111.7H274 L278 E304 T305 L310 L311 L312H274-N308 PolarHBondContact CE1-ND2 3.32Å; H274-N308 PolarHBondContact NE2-ND2 3.31Å; L278-N308 HydrophobicContact CD2-CB 3.99Å; E304-N308 WeakPolarHBondContact CB-ND2 3.45Å; E304-N308 VanDerWaalsContact O-CB 3.29Å; E304-N308 WeakPolarHBondContact O-CB 3.46Å; E304-N308 PolarHBondContact O-N 3.15Å; E304-N308 PolarHBondContact O-ND2 3.43Å; T305-N308 PolarHBondContact O-N 3.23Å; N308-L310 PolarHBondContact O-N 3.24Å; N308-L311 PolarHBondContact O-N 3.29Å; N308-L312 VanDerWaalsContact O-CB 3.25Å; N308-L312 WeakPolarHBondContact O-CB 3.29Å; N308-L312 WeakPolarHBondContact O-CD1 3.46Å; N308-L312 WeakPolarHBondContact O-CG 3.18Å; N308-L312 PolarHBondContact O-N 2.86Å
309L98Very high95.7Very high1 Ų148.6 Ų48.61%0.00524%0.241CC..Hα-helixtrans-58.2-49.5176.4-179.459.4000111.5F289 L292 Q293 L296 T305 F306 L311 L312 Y313 V325F289-L309 HydrophobicContact CD1-CD1 3.79Å; F289-L309 HydrophobicContact CE1-CD1 4.33Å; L292-L309 HydrophobicContact CB-CB 4.4Å; L292-L309 HydrophobicContact CB-CD1 3.9Å; L292-L309 HydrophobicContact CD1-CB 4.48Å; L292-L309 HydrophobicContact CD1-CD1 4.18Å; Q293-L309 HydrophobicContact CG-CD2 4.33Å; L296-L309 HydrophobicContact CD1-CD2 3.39Å; L296-L309 HydrophobicContact CG-CD2 4.45Å; T305-L309 WeakPolarHBondContact O-CB 3.35Å; T305-L309 PolarHBondContact O-N 3.39Å; F306-L309 PolarHBondContact O-N 3.23Å; L309-L311 PolarHBondContact O-N 2.96Å; L309-L312 PolarHBondContact O-N 3.28Å; L309-Y313 HydrophobicContact CD1-CD1 4.42Å; L309-Y313 HydrophobicContact CD1-CD2 4.24Å; L309-Y313 HydrophobicContact CD1-CE1 3.93Å; L309-Y313 HydrophobicContact CD1-CE2 3.71Å; L309-Y313 HydrophobicContact CD2-CE2 4.02Å; L309-Y313 HydrophobicContact CG-CD2 4.08Å; L309-Y313 HydrophobicContact CG-CE2 3.64Å; L309-Y313 PolarHBondContact O-N 3.4Å; L309-V325 HydrophobicContact CD2-CG1 4.33Å
310L98.1Very high96Very high0 Ų045.2 Ų45.20%023%0.23CC..Hα-helixtrans-62-43.9179-68.4171.7000112.2F306 A307 N308 L312 Y313 I314 A322 V325 L326 L337 I345F306-L310 HydrophobicContact CD1-CD1 4.1Å; F306-L310 HydrophobicContact CE1-CD1 3.64Å; F306-L310 HydrophobicContact CE2-CD1 4.39Å; F306-L310 HydrophobicContact CZ-CD1 3.81Å; F306-L310 WeakPolarHBondContact O-CG 3.14Å; F306-L310 PolarHBondContact O-N 3.45Å; A307-L310 PolarHBondContact O-N 3.2Å; N308-L310 PolarHBondContact O-N 3.24Å; L310-L312 VanDerWaalsContact C-N 3.32Å; L310-L312 PolarHBondContact O-N 2.94Å; L310-Y313 PolarHBondContact O-N 2.98Å; L310-I314 WeakPolarHBondContact O-CG1 3.35Å; L310-I314 PolarHBondContact O-N 3.21Å; L310-A322 HydrophobicContact CD2-CB 4.4Å; L310-A322 WeakPolarHBondContact CD2-O 3.48Å; L310-V325 HydrophobicContact CD2-CB 4.15Å; L310-V325 HydrophobicContact CD2-CG1 3.99Å; L310-L326 HydrophobicContact CD1-CD1 3.92Å; L310-L326 HydrophobicContact CD2-CB 4.25Å; L310-L337 HydrophobicContact CD1-CD1 3.93Å; L310-I345 HydrophobicContact CB-CD1 4.05Å; L310-I345 HydrophobicContact CD1-CD1 4.1Å
311L97.6Very high96.3Very high63 Ų6342.9 Ų42.933%0.3321%0.213SC..Hα-helixtrans-65.6-36177.9-72.3174.2000112.2A307 N308 L309 I314 K315 L341 I345A307-L311 WeakPolarHBondContact O-CB 3.48Å; A307-L311 VanDerWaalsContact O-CG 3.29Å; A307-L311 WeakPolarHBondContact O-CG 3.48Å; A307-L311 PolarHBondContact O-N 3.43Å; N308-L311 PolarHBondContact O-N 3.29Å; L309-L311 PolarHBondContact O-N 2.96Å; L311-I314 PolarHBondContact O-N 3.16Å; L311-K315 WeakPolarHBondContact O-CB 2.97Å; L311-K315 PolarHBondContact O-N 2.99Å; L311-L341 HydrophobicContact CD1-CD1 4.47Å; L311-L341 HydrophobicContact CD2-CD1 4.12Å; L311-I345 HydrophobicContact CD2-CG1 4.48Å
312L97.5Very high96.3Very high20 Ų2041.2 Ų41.211%0.10521%0.206CC..Hα-helixtrans-70.2-42.1175.8-74.1165.2000111.6L278 M281 F289 L292 N308 L309 L310 I314 K315 Y316L278-L312 HydrophobicContact CD2-CD1 3.53Å; M281-L312 HydrophobicContact CE-CD1 3.51Å; M281-L312 HydrophobicContact CE-CD2 4.27Å; M281-L312 HydrophobicContact CE-CG 4.33Å; M281-L312 HydrophobicContact CG-CD2 3.72Å; M281-L312 HydrophobicContact SD-CD2 4.4Å; F289-L312 HydrophobicContact CE1-CB 3.69Å; F289-L312 HydrophobicContact CZ-CB 4.12Å; L292-L312 HydrophobicContact CD1-CD1 3.56Å; N308-L312 VanDerWaalsContact O-CB 3.25Å; N308-L312 WeakPolarHBondContact O-CB 3.29Å; N308-L312 WeakPolarHBondContact O-CD1 3.46Å; N308-L312 WeakPolarHBondContact O-CG 3.18Å; N308-L312 PolarHBondContact O-N 2.86Å; L309-L312 PolarHBondContact O-N 3.28Å; L310-L312 VanDerWaalsContact C-N 3.32Å; L310-L312 PolarHBondContact O-N 2.94Å; L312-I314 VanDerWaalsContact C-N 3.29Å; L312-I314 PolarHBondContact O-N 3.48Å; L312-K315 HydrophobicContact CD2-CD 4.31Å; L312-K315 WeakPolarHBondContact O-CB 3.44Å; L312-K315 PolarHBondContact O-N 3.48Å; L312-K315 VanDerWaalsContact O-N 3.14Å; L312-Y316 HydrophobicContact CD2-CE2 4.37Å; L312-Y316 WeakPolarHBondContact O-CD2 3.37Å; L312-Y316 PolarHBondContact O-N 2.87Å
313Y97.3Very high96.3Very high2 Ų241.9 Ų41.91%0.00821%0.213CC..Hα-helixtrans-57.3-44.3170.4-74-28.7000112F289 Q293 L309 L310 K315 Y316 E317 Y318 L321 A322 V325F289-Y313 AromaticContact CD1-CD1 3.69Å; F289-Y313 HydrophobicContact CD1-CD1 3.69Å; F289-Y313 AromaticContact CD1-CE1 3.34Å; F289-Y313 HydrophobicContact CD1-CE1 3.34Å; F289-Y313 AromaticContact CE1-CD1 3.31Å; F289-Y313 HydrophobicContact CE1-CD1 3.31Å; F289-Y313 AromaticContact CE1-CE1 3.53Å; F289-Y313 HydrophobicContact CE1-CE1 3.53Å; F289-Y313 HydrophobicContact CE1-CG 4.29Å; F289-Y313 HydrophobicContact CG-CE1 4.03Å; F289-Y313 AromaticContact CZ-CD1 3.98Å; F289-Y313 HydrophobicContact CZ-CD1 3.98Å; F289-Y313 HydrophobicContact CZ-CE1 4.36Å; Q293-Y313 PolarHBondContact NE2-OH 3.29Å; L309-Y313 HydrophobicContact CD1-CD1 4.42Å; L309-Y313 HydrophobicContact CD1-CD2 4.24Å; L309-Y313 HydrophobicContact CD1-CE1 3.93Å; L309-Y313 HydrophobicContact CD1-CE2 3.71Å; L309-Y313 HydrophobicContact CD2-CE2 4.02Å; L309-Y313 HydrophobicContact CG-CD2 4.08Å; L309-Y313 HydrophobicContact CG-CE2 3.64Å; L309-Y313 PolarHBondContact O-N 3.4Å; L310-Y313 PolarHBondContact O-N 2.98Å; Y313-K315 PolarHBondContact O-N 3.24Å; Y313-Y316 CarbonylContact O-C 3.51Å; Y313-Y316 PolarHBondContact O-N 3.37Å; Y313-E317 CarbonylContact O-C 3.44Å; Y313-E317 PolarHBondContact O-N 3.09Å; Y313-Y318 AromaticContact CD1-CD2 3.9Å; Y313-Y318 HydrophobicContact CD1-CD2 3.9Å; Y313-Y318 HydrophobicContact CD1-CG 4.4Å; Y313-Y318 HydrophobicContact CE1-CD2 4.43Å; Y313-Y318 PolarHBondContact O-N 2.94Å; Y313-L321 HydrophobicContact CD1-CB 4.36Å; Y313-L321 HydrophobicContact CD1-CD1 4.44Å; Y313-L321 HydrophobicContact CD2-CB 4.05Å; Y313-L321 HydrophobicContact CE1-CB 4.23Å; Y313-L321 HydrophobicContact CE1-CD1 3.91Å; Y313-L321 HydrophobicContact CE2-CB 3.9Å; Y313-L321 HydrophobicContact CG-CB 4.28Å; Y313-A322 HydrophobicContact CD2-CB 4.31Å; Y313-V325 HydrophobicContact CE2-CG2 3.86Å
314I96.2Very high96.5Very high13 Ų1343.3 Ų43.37%0.06722%0.215CC..Hα-helixtrans-61.8-43.6174.8-73.8169000111.8L310 L311 L312 Y316 E317 Y319 A322 I345 V348L310-I314 WeakPolarHBondContact O-CG1 3.35Å; L310-I314 PolarHBondContact O-N 3.21Å; L311-I314 PolarHBondContact O-N 3.16Å; L312-I314 VanDerWaalsContact C-N 3.29Å; L312-I314 PolarHBondContact O-N 3.48Å; I314-Y316 VanDerWaalsContact C-N 3.31Å; I314-Y316 PolarHBondContact O-N 3.22Å; I314-E317 PolarHBondContact O-N 3.06Å; I314-Y319 HydrophobicContact CG2-CE1 4.46Å; I314-A322 HydrophobicContact CG1-CB 4.5Å; I314-I345 HydrophobicContact CD1-CB 4.26Å; I314-I345 HydrophobicContact CD1-CG1 4Å; I314-I345 HydrophobicContact CD1-CG2 4.04Å; I314-V348 HydrophobicContact CD1-CB 4.3Å; I314-V348 HydrophobicContact CD1-CG1 4.19Å; I314-V348 HydrophobicContact CG1-CG1 4.2Å; I314-V348 HydrophobicContact CG2-CG1 3.64Å
315K94.9Very high96.5Very high119 Ų11939.2 Ų39.252%0.51720%0.198SC..Hα-helixtrans-60.3-40.7179.5177.9-175.3174-170.50111.7L311 L312 Y313 E317L311-K315 WeakPolarHBondContact O-CB 2.97Å; L311-K315 PolarHBondContact O-N 2.99Å; L312-K315 HydrophobicContact CD2-CD 4.31Å; L312-K315 WeakPolarHBondContact O-CB 3.44Å; L312-K315 PolarHBondContact O-N 3.48Å; L312-K315 VanDerWaalsContact O-N 3.14Å; Y313-K315 PolarHBondContact O-N 3.24Å; K315-E317 VanDerWaalsContact C-N 3.32Å
316Y94.4Very high96.4Very high68 Ų6840 Ų4027%0.26720%0.202SC..THydrogen-bonded Turntrans-92.811.1179.6-74.1-100.9000113M281 P285 F289 L312 Y313 I314 Y318M281-Y316 HydrophobicContact CG-CE2 3.88Å; M281-Y316 PolarHBondContact O-OH 2.7Å; M281-Y316 HydrophobicContact SD-CE2 4.23Å; P285-Y316 HydrophobicContact CB-CD1 4.46Å; P285-Y316 HydrophobicContact CB-CE1 3.86Å; P285-Y316 HydrophobicContact CG-CE1 4.26Å; F289-Y316 HydrophobicContact CE2-CD2 4.42Å; F289-Y316 HydrophobicContact CE2-CG 4.31Å; F289-Y316 AromaticContact CZ-CD2 3.98Å; F289-Y316 HydrophobicContact CZ-CD2 3.98Å; F289-Y316 HydrophobicContact CZ-CG 4.15Å; L312-Y316 HydrophobicContact CD2-CE2 4.37Å; L312-Y316 WeakPolarHBondContact O-CD2 3.37Å; L312-Y316 PolarHBondContact O-N 2.87Å; Y313-Y316 CarbonylContact O-C 3.51Å; Y313-Y316 PolarHBondContact O-N 3.37Å; I314-Y316 VanDerWaalsContact C-N 3.31Å; I314-Y316 PolarHBondContact O-N 3.22Å; Y316-Y318 PolarHBondContact O-N 3.09Å
317E94.3Very high96.3Very high108 Ų10843.4 Ų43.451%0.50523%0.23SC..THydrogen-bonded Turntrans62.222.9176.9-51.8-163.6148.400115Y313 I314 K315 Y319 K415Y313-E317 CarbonylContact O-C 3.44Å; Y313-E317 PolarHBondContact O-N 3.09Å; I314-E317 PolarHBondContact O-N 3.06Å; K315-E317 VanDerWaalsContact C-N 3.32Å; E317-Y319 HydrophobicContact CB-CD2 4.34Å; E317-Y319 HydrophobicContact CB-CE2 3.62Å; E317-Y319 HydrophobicContact CG-CE2 4.12Å; E317-Y319 VanDerWaalsContact O-CD2 3.26Å; E317-Y319 WeakPolarHBondContact O-CD2 3.27Å; E317-Y319 PolarHBondContact O-N 3.21Å; E317-K415 WeakPolarHBondContact OE1-CE 3.37Å; E317-K415 IonicContact OE1-NZ 3.61Å; E317-K415 PolarHBondContact OE1-NZ 3.1Å
318Y94.7Very high96.2Very high45 Ų4550.2 Ų50.218%0.17626%0.259CS..  trans-81.561.3171.2-60.6-40.4000112.1F289 Y313 Y316 D320 L321 A322 P646F289-Y318 HydrophobicContact CD2-CE2 4.2Å; F289-Y318 AromaticContact CE2-CD2 4Å; F289-Y318 HydrophobicContact CE2-CD2 4Å; F289-Y318 AromaticContact CE2-CE2 3.6Å; F289-Y318 HydrophobicContact CE2-CE2 3.6Å; F289-Y318 AromaticContact CZ-CD2 3.98Å; F289-Y318 HydrophobicContact CZ-CD2 3.98Å; F289-Y318 HydrophobicContact CZ-CE2 4.05Å; Y313-Y318 AromaticContact CD1-CD2 3.9Å; Y313-Y318 HydrophobicContact CD1-CD2 3.9Å; Y313-Y318 HydrophobicContact CD1-CG 4.4Å; Y313-Y318 HydrophobicContact CE1-CD2 4.43Å; Y313-Y318 PolarHBondContact O-N 2.94Å; Y316-Y318 PolarHBondContact O-N 3.09Å; Y318-D320 PolarHBondContact O-N 3.39Å; Y318-L321 HydrophobicContact CG-CD1 4.39Å; Y318-L321 PolarHBondContact O-N 3.21Å; Y318-A322 PolarHBondContact O-N 3.41Å; Y318-P646 VanDerWaalsContact OH-CG 3.26Å; Y318-P646 WeakPolarHBondContact OH-CG 3.29Å
319Y95.4Very high96Very high16 Ų1650.3 Ų50.36%0.06326%0.26CS..Hα-helixtrans-65.6-35.8-173.4-59.3-64.9000114I314 E317 A322 A323 V348 R351 Q352I314-Y319 HydrophobicContact CG2-CE1 4.46Å; E317-Y319 HydrophobicContact CB-CD2 4.34Å; E317-Y319 HydrophobicContact CB-CE2 3.62Å; E317-Y319 HydrophobicContact CG-CE2 4.12Å; E317-Y319 VanDerWaalsContact O-CD2 3.26Å; E317-Y319 WeakPolarHBondContact O-CD2 3.27Å; E317-Y319 PolarHBondContact O-N 3.21Å; Y319-A322 PolarHBondContact O-N 2.91Å; Y319-A323 WeakPolarHBondContact O-CB 3.4Å; Y319-A323 PolarHBondContact O-N 3.36Å; Y319-V348 HydrophobicContact CE1-CG1 4.05Å; Y319-R351 VanDerWaalsContact CZ-NH2 3.3Å; Y319-R351 PolarHBondContact OH-NH2 2.89Å; Y319-Q352 HydrophobicContact CD1-CG 4.36Å; Y319-Q352 HydrophobicContact CD2-CG 3.61Å; Y319-Q352 HydrophobicContact CE2-CG 4.38Å; Y319-Q352 HydrophobicContact CG-CG 3.59Å
320D94.9Very high95.8Very high124 Ų12454.9 Ų54.966%0.66329%0.288SS*.Hα-helixtrans-66.2-45.4178.8-63.9-30.6000110.6Y318 A322 A323 D324Y318-D320 PolarHBondContact O-N 3.39Å; D320-A322 VanDerWaalsContact C-N 3.34Å; D320-A322 PolarHBondContact O-N 3.42Å; D320-A323 WeakPolarHBondContact O-CB 3.3Å; D320-A323 PolarHBondContact O-N 3.25Å; D320-A323 VanDerWaalsContact O-N 3.11Å; D320-D324 PolarHBondContact O-N 2.89Å
321L95.4Very high95.7Very high51 Ų5159.7 Ų59.727%0.26732%0.318SS..Hα-helixtrans-62.6-39.7174.3-64.1-178.5000112.3Y313 Y318 A323 D324 V325 I647Y313-L321 HydrophobicContact CD1-CB 4.36Å; Y313-L321 HydrophobicContact CD1-CD1 4.44Å; Y313-L321 HydrophobicContact CD2-CB 4.05Å; Y313-L321 HydrophobicContact CE1-CB 4.23Å; Y313-L321 HydrophobicContact CE1-CD1 3.91Å; Y313-L321 HydrophobicContact CE2-CB 3.9Å; Y313-L321 HydrophobicContact CG-CB 4.28Å; Y318-L321 HydrophobicContact CG-CD1 4.39Å; Y318-L321 PolarHBondContact O-N 3.21Å; L321-A323 VanDerWaalsContact C-N 3.3Å; L321-A323 PolarHBondContact O-N 3.42Å; L321-D324 PolarHBondContact O-N 3.04Å; L321-V325 WeakPolarHBondContact O-CB 3.31Å; L321-V325 WeakPolarHBondContact O-CG2 3.24Å; L321-V325 PolarHBondContact O-N 2.91Å; L321-I647 HydrophobicContact CD1-CD1 3.69Å
322A96.7Very high95.5Very high0 Ų058.2 Ų58.20%031%0.31CS..Hα-helixtrans-61.7-40.2174.300000111.7L310 Y313 I314 Y318 Y319 D320 L326 I349L310-A322 HydrophobicContact CD2-CB 4.4Å; L310-A322 WeakPolarHBondContact CD2-O 3.48Å; Y313-A322 HydrophobicContact CD2-CB 4.31Å; I314-A322 HydrophobicContact CG1-CB 4.5Å; Y318-A322 PolarHBondContact O-N 3.41Å; Y319-A322 PolarHBondContact O-N 2.91Å; D320-A322 VanDerWaalsContact C-N 3.34Å; D320-A322 PolarHBondContact O-N 3.42Å; A322-L326 WeakPolarHBondContact O-CB 3.46Å; A322-L326 PolarHBondContact O-N 3.44Å; A322-L326 VanDerWaalsContact O-N 3.08Å; A322-I349 HydrophobicContact CB-CD1 3.87Å; A322-I349 HydrophobicContact CB-CG1 4.16Å
323A96.7Very high95.4Very high32 Ų3257.6 Ų57.626%0.26431%0.307SS..Hα-helixtrans-66.1-46.3177.100000111.7Y319 D320 L321 L326 A327 I349Y319-A323 WeakPolarHBondContact O-CB 3.4Å; Y319-A323 PolarHBondContact O-N 3.36Å; D320-A323 WeakPolarHBondContact O-CB 3.3Å; D320-A323 PolarHBondContact O-N 3.25Å; D320-A323 VanDerWaalsContact O-N 3.11Å; L321-A323 VanDerWaalsContact C-N 3.3Å; L321-A323 PolarHBondContact O-N 3.42Å; A323-L326 PolarHBondContact O-N 2.99Å; A323-A327 VanDerWaalsContact O-CB 3.27Å; A323-A327 WeakPolarHBondContact O-CB 3.41Å; A323-A327 PolarHBondContact O-N 3.49Å; A323-I349 HydrophobicContact CB-CG2 3.78Å
324D96.3Very high95.3Very high88 Ų8867.4 Ų67.447%0.47135%0.346SS..Hα-helixtrans-62.4-51.4179.4-69.9-18.8000110.9D320 L321 L326 A327 E328D320-D324 PolarHBondContact O-N 2.89Å; L321-D324 PolarHBondContact O-N 3.04Å; D324-L326 VanDerWaalsContact C-N 3.3Å; D324-L326 PolarHBondContact O-N 3.3Å; D324-A327 PolarHBondContact O-N 3.1Å; D324-A327 VanDerWaalsContact O-N 3.15Å; D324-E328 WeakPolarHBondContact O-CB 3.46Å; D324-E328 WeakPolarHBondContact O-CG 3.34Å; D324-E328 PolarHBondContact O-N 3Å
325V96.1Very high95.2Very high19 Ų1972.7 Ų72.712%0.11537%0.37CS..Hα-helixtrans-60-41.2178.6171.10000111.4L296 F306 L309 L310 Y313 L321 N329L296-V325 HydrophobicContact CD1-CG1 4.38Å; F306-V325 HydrophobicContact CD2-CG1 4.42Å; F306-V325 HydrophobicContact CE2-CG1 3.75Å; L309-V325 HydrophobicContact CD2-CG1 4.33Å; L310-V325 HydrophobicContact CD2-CB 4.15Å; L310-V325 HydrophobicContact CD2-CG1 3.99Å; Y313-V325 HydrophobicContact CE2-CG2 3.86Å; L321-V325 WeakPolarHBondContact O-CB 3.31Å; L321-V325 WeakPolarHBondContact O-CG2 3.24Å; L321-V325 PolarHBondContact O-N 2.91Å; V325-N329 VanDerWaalsContact O-CB 3.29Å; V325-N329 WeakPolarHBondContact O-CB 3.34Å; V325-N329 PolarHBondContact O-N 3.01Å; V325-N329 PolarHBondContact O-ND2 3.38Å
326L96.2Very high95.2Very high17 Ų1770.4 Ų70.49%0.08936%0.359CS..Hα-helixtrans-66.5-39.9178-171.567.2000112.1F306 L310 A322 A323 D324 A333 L337 F342 I345 E346 I349F306-L326 HydrophobicContact CE1-CD1 4.47Å; F306-L326 HydrophobicContact CZ-CD1 4.35Å; L310-L326 HydrophobicContact CD1-CD1 3.92Å; L310-L326 HydrophobicContact CD2-CB 4.25Å; A322-L326 WeakPolarHBondContact O-CB 3.46Å; A322-L326 PolarHBondContact O-N 3.44Å; A322-L326 VanDerWaalsContact O-N 3.08Å; A323-L326 PolarHBondContact O-N 2.99Å; D324-L326 VanDerWaalsContact C-N 3.3Å; D324-L326 PolarHBondContact O-N 3.3Å; L326-A333 HydrophobicContact CD1-CB 3.9Å; L326-L337 HydrophobicContact CD1-CD1 4.04Å; L326-F342 HydrophobicContact CD1-CD2 4.2Å; L326-F342 HydrophobicContact CD1-CE2 4.01Å; L326-F342 HydrophobicContact CD2-CE2 4.28Å; L326-F342 HydrophobicContact CG-CE2 4.36Å; L326-I345 HydrophobicContact CD2-CG2 4.05Å; L326-E346 HydrophobicContact CD2-CG 4.19Å; L326-I349 HydrophobicContact CD2-CD1 4.21Å
327A95.6Very high95.3Very high71 Ų7167.8 Ų67.859%0.58735%0.35SS*.Hα-helixtrans-73.4-36.8-178.800000113.1A323 D324 N329 T330A323-A327 VanDerWaalsContact O-CB 3.27Å; A323-A327 WeakPolarHBondContact O-CB 3.41Å; A323-A327 PolarHBondContact O-N 3.49Å; D324-A327 PolarHBondContact O-N 3.1Å; D324-A327 VanDerWaalsContact O-N 3.15Å; A327-N329 VanDerWaalsContact C-N 3.32Å; A327-T330 WeakPolarHBondContact O-CG2 3.31Å
328E95.5Very high95.3Very high156 Ų15666 Ų6673%0.72935%0.349SS*.Hα-helixtrans-74.6-24178.4-70-178.9170.900112.6D324D324-E328 WeakPolarHBondContact O-CB 3.46Å; D324-E328 WeakPolarHBondContact O-CG 3.34Å; D324-E328 PolarHBondContact O-N 3Å
329N94.9Very high95.4Very high43 Ų4368.1 Ų68.123%0.2337%0.371CS..THydrogen-bonded Turntrans-117.146.5-172.2-62.8-82.8000113.1F306 V325 A327 T331 L332 A333F306-N329 HydrophobicContact CE2-CB 3.6Å; F306-N329 HydrophobicContact CZ-CB 3.87Å; V325-N329 VanDerWaalsContact O-CB 3.29Å; V325-N329 WeakPolarHBondContact O-CB 3.34Å; V325-N329 PolarHBondContact O-N 3.01Å; V325-N329 PolarHBondContact O-ND2 3.38Å; A327-N329 VanDerWaalsContact C-N 3.32Å; N329-T331 VanDerWaalsContact C-N 3.26Å; N329-T331 PolarHBondContact O-N 3.34Å; N329-L332 HydrophobicContact CB-CB 4.09Å; N329-L332 HydrophobicContact CB-CD1 3.92Å; N329-L332 HydrophobicContact CB-CG 4.06Å; N329-L332 PolarHBondContact O-N 3.23Å; N329-L332 VanDerWaalsContact O-N 3.09Å; N329-L332 WeakPolarHBondContact OD1-CD1 3.49Å; N329-A333 PolarHBondContact O-N 3.44Å
330T94.2Very high95.4Very high97 Ų9770.6 Ų70.660%0.59539%0.385SS*.Hα-helixtrans-57.7-35-175.858.20000114A327 A333 Y334A327-T330 WeakPolarHBondContact O-CG2 3.31Å; T330-A333 PolarHBondContact O-N 3.48Å; T330-Y334 PolarHBondContact O-N 3.39Å
331T94.8Very high95.4Very high102 Ų10266.7 Ų66.763%0.62636%0.364SS*.Hα-helixtrans-68-45177.3-51.90000111N329 A333 Y334 E335N329-T331 VanDerWaalsContact C-N 3.26Å; N329-T331 PolarHBondContact O-N 3.34Å; T331-A333 VanDerWaalsContact C-N 3.27Å; T331-A333 PolarHBondContact O-N 3.49Å; T331-Y334 PolarHBondContact O-N 3.2Å; T331-Y334 VanDerWaalsContact O-N 3.16Å; T331-E335 PolarHBondContact O-N 3.29Å
332L94.5Very high95.5Very high32 Ų3267.1 Ų67.117%0.16836%0.363CS..Hα-helixtrans-63.7-36.6177.2-54.1-172.1000111.1L296 F301 F306 N329 Y334 E335 Y336L296-L332 HydrophobicContact CD2-CD1 4.45Å; F301-L332 HydrophobicContact CZ-CD1 4.09Å; F301-L332 HydrophobicContact CZ-CD2 4.22Å; F306-L332 HydrophobicContact CD1-CB 4.29Å; F306-L332 HydrophobicContact CD2-CB 4.24Å; F306-L332 HydrophobicContact CD2-CD1 4.19Å; F306-L332 HydrophobicContact CE1-CB 4.27Å; F306-L332 HydrophobicContact CE2-CB 4.22Å; F306-L332 HydrophobicContact CE2-CD1 4.41Å; F306-L332 HydrophobicContact CG-CB 4.27Å; F306-L332 HydrophobicContact CZ-CB 4.23Å; N329-L332 HydrophobicContact CB-CB 4.09Å; N329-L332 HydrophobicContact CB-CD1 3.92Å; N329-L332 HydrophobicContact CB-CG 4.06Å; N329-L332 PolarHBondContact O-N 3.23Å; N329-L332 VanDerWaalsContact O-N 3.09Å; N329-L332 WeakPolarHBondContact OD1-CD1 3.49Å; L332-Y334 VanDerWaalsContact C-N 3.31Å; L332-Y334 PolarHBondContact O-N 3.3Å; L332-E335 PolarHBondContact O-N 2.89Å; L332-Y336 HydrophobicContact CB-CD2 4.06Å; L332-Y336 HydrophobicContact CD2-CD2 4.27Å; L332-Y336 HydrophobicContact CD2-CE2 3.9Å; L332-Y336 WeakPolarHBondContact O-CB 3.36Å; L332-Y336 WeakPolarHBondContact O-CD2 3.38Å; L332-Y336 PolarHBondContact O-N 2.98Å
333A95Very high95.5Very high6 Ų670.1 Ų70.15%0.0538%0.38CS..Hα-helixtrans-60.9-39.5175.300000112.5F306 L326 N329 T330 T331 L337 F342F306-A333 HydrophobicContact CE1-CB 3.98Å; F306-A333 HydrophobicContact CZ-CB 4.34Å; L326-A333 HydrophobicContact CD1-CB 3.9Å; N329-A333 PolarHBondContact O-N 3.44Å; T330-A333 PolarHBondContact O-N 3.48Å; T331-A333 VanDerWaalsContact C-N 3.27Å; T331-A333 PolarHBondContact O-N 3.49Å; A333-L337 HydrophobicContact CB-CD1 4.21Å; A333-L337 VanDerWaalsContact O-CB 3.29Å; A333-L337 WeakPolarHBondContact O-CB 3.25Å; A333-L337 PolarHBondContact O-N 2.89Å; A333-F342 HydrophobicContact CB-CD2 4.21Å; A333-F342 HydrophobicContact CB-CE2 4.18Å
334Y94Very high95.6Very high208 Ų20869.8 Ų69.882%0.81637%0.372SS*.Hα-helixtrans-70.2-36.5175.6-179.5-97.6000112.8T330 T331 L332T330-Y334 PolarHBondContact O-N 3.39Å; T331-Y334 PolarHBondContact O-N 3.2Å; T331-Y334 VanDerWaalsContact O-N 3.16Å; L332-Y334 VanDerWaalsContact C-N 3.31Å; L332-Y334 PolarHBondContact O-N 3.3Å
335E93.9Very high95.7Very high124 Ų12465.6 Ų65.658%0.57935%0.35SS*.Hα-helixtrans-80.4-43.6-174.9-174171179.900113.3T331 L332T331-E335 PolarHBondContact O-N 3.29Å; L332-E335 PolarHBondContact O-N 2.89Å
336Y95.4Very high95.7Very high71 Ų7167.7 Ų67.728%0.27836%0.358SS..Hα-helixtrans-105.2-13.4-169.2-64.6-69.6000114.7F301 S303 L332F301-Y336 HydrophobicContact CE2-CD2 4.44Å; F301-Y336 AromaticContact CE2-CE2 3.95Å; F301-Y336 HydrophobicContact CE2-CE2 3.95Å; F301-Y336 AromaticContact CZ-CE2 3.86Å; F301-Y336 HydrophobicContact CZ-CE2 3.86Å; S303-Y336 WeakPolarHBondContact O-CD1 3.4Å; L332-Y336 HydrophobicContact CB-CD2 4.06Å; L332-Y336 HydrophobicContact CD2-CD2 4.27Å; L332-Y336 HydrophobicContact CD2-CE2 3.9Å; L332-Y336 WeakPolarHBondContact O-CB 3.36Å; L332-Y336 WeakPolarHBondContact O-CD2 3.38Å; L332-Y336 PolarHBondContact O-N 2.98Å
337L96.8Very high95.8Very high14 Ų1466.9 Ų66.97%0.07335%0.354CS..SBendtrans-105.5133.7177.8-51.9179.8000111.3F306 A307 L310 L326 A333 L341 F342 I345F306-L337 HydrophobicContact CD1-CD1 4.24Å; F306-L337 HydrophobicContact CD1-CD2 4Å; F306-L337 HydrophobicContact CD1-CG 3.98Å; F306-L337 HydrophobicContact CE1-CD1 3.78Å; F306-L337 HydrophobicContact CE1-CD2 4.37Å; F306-L337 HydrophobicContact CE1-CG 3.97Å; A307-L337 HydrophobicContact CB-CD2 3.63Å; L310-L337 HydrophobicContact CD1-CD1 3.93Å; L326-L337 HydrophobicContact CD1-CD1 4.04Å; A333-L337 HydrophobicContact CB-CD1 4.21Å; A333-L337 VanDerWaalsContact O-CB 3.29Å; A333-L337 WeakPolarHBondContact O-CB 3.25Å; A333-L337 PolarHBondContact O-N 2.89Å; L337-L341 HydrophobicContact CD2-CD2 3.82Å; L337-L341 HydrophobicContact CD2-CG 4.37Å; L337-F342 HydrophobicContact CB-CB 4.24Å; L337-F342 HydrophobicContact CD1-CB 4.47Å; L337-F342 HydrophobicContact CD1-CD2 4.15Å; L337-I345 HydrophobicContact CD1-CD1 4.26Å
338S95.4Very high95.9Very high70 Ų7063.5 Ų63.549%0.4933%0.326SS..  trans-66.3152.5166.774.30000110.2D340 L341 F342S338-D340 PolarHBondContact O-N 3.34Å; S338-L341 PolarHBondContact O-N 2.98Å; S338-L341 VanDerWaalsContact OG-CB 3.3Å; S338-L341 WeakPolarHBondContact OG-CB 3.49Å; S338-L341 PolarHBondContact OG-N 3.43Å; S338-L341 VanDerWaalsContact OG-N 3.15Å; S338-F342 WeakPolarHBondContact O-CB 3.44Å; S338-F342 PolarHBondContact O-N 3.4Å
339S95.3Very high96Very high90 Ų9057.3 Ų57.363%0.62930%0.298SS*.Hα-helixtrans-54.4-39.2177-173.40000112.5N343S339-N343 WeakPolarHBondContact O-CB 3.45Å; S339-N343 VanDerWaalsContact O-CG 3.24Å; S339-N343 PolarHBondContact O-N 2.87Å; S339-N343 VanDerWaalsContact O-N 3.13Å; S339-N343 PolarHBondContact O-ND2 3.46Å
340D95Very high96.1Very high68 Ų6857.2 Ų57.236%0.36430%0.297SS..Hα-helixtrans-68.4-40.6177.8-73.2-31.6000111.9S338 F344 K368S338-D340 PolarHBondContact O-N 3.34Å; D340-F344 WeakPolarHBondContact O-CB 3.41Å; D340-F344 PolarHBondContact O-N 2.91Å; D340-K368 VanDerWaalsContact CG-NZ 3.27Å; D340-K368 IonicContact OD1-NZ 3.3Å; D340-K368 PolarHBondContact OD1-NZ 3Å; D340-K368 IonicContact OD2-NZ 3.74Å; D340-K368 PolarHBondContact OD2-NZ 3.42Å
341L96.5Very high96.2Very high42 Ų4253.3 Ų53.322%0.2227%0.271CS..Hα-helixtrans-69-43.7177.918059.2000112.2A307 L311 L337 S338 N343 F344 I345A307-L341 HydrophobicContact CB-CD2 4.08Å; L311-L341 HydrophobicContact CD1-CD1 4.47Å; L311-L341 HydrophobicContact CD2-CD1 4.12Å; L337-L341 HydrophobicContact CD2-CD2 3.82Å; L337-L341 HydrophobicContact CD2-CG 4.37Å; S338-L341 PolarHBondContact O-N 2.98Å; S338-L341 VanDerWaalsContact OG-CB 3.3Å; S338-L341 WeakPolarHBondContact OG-CB 3.49Å; S338-L341 PolarHBondContact OG-N 3.43Å; S338-L341 VanDerWaalsContact OG-N 3.15Å; L341-N343 PolarHBondContact O-N 3.33Å; L341-F344 WeakPolarHBondContact O-CB 3.14Å; L341-F344 PolarHBondContact O-N 3.42Å; L341-I345 HydrophobicContact CD1-CD1 3.93Å; L341-I345 HydrophobicContact CD1-CG1 4.17Å; L341-I345 HydrophobicContact CG-CD1 3.89Å; L341-I345 WeakPolarHBondContact O-CG1 3.12Å; L341-I345 PolarHBondContact O-N 3.2Å
342F97.2Very high96.1Very high59 Ų5952.8 Ų52.826%0.25926%0.262SS..Hα-helixtrans-57-51175.6176.6-92.8000111.2L326 A333 L337 S338 F344 I345 E346L326-F342 HydrophobicContact CD1-CD2 4.2Å; L326-F342 HydrophobicContact CD1-CE2 4.01Å; L326-F342 HydrophobicContact CD2-CE2 4.28Å; L326-F342 HydrophobicContact CG-CE2 4.36Å; A333-F342 HydrophobicContact CB-CD2 4.21Å; A333-F342 HydrophobicContact CB-CE2 4.18Å; L337-F342 HydrophobicContact CB-CB 4.24Å; L337-F342 HydrophobicContact CD1-CB 4.47Å; L337-F342 HydrophobicContact CD1-CD2 4.15Å; S338-F342 WeakPolarHBondContact O-CB 3.44Å; S338-F342 PolarHBondContact O-N 3.4Å; F342-F344 VanDerWaalsContact C-N 3.29Å; F342-F344 PolarHBondContact O-N 3.49Å; F342-I345 PolarHBondContact O-N 2.85Å; F342-E346 HydrophobicContact CD1-CG 4.31Å; F342-E346 HydrophobicContact CE1-CG 3.8Å; F342-E346 WeakPolarHBondContact CE1-OE1 3.38Å; F342-E346 HydrophobicContact CE2-CG 4.37Å; F342-E346 HydrophobicContact CZ-CG 3.83Å; F342-E346 VanDerWaalsContact CZ-OE1 3.28Å; F342-E346 WeakPolarHBondContact CZ-OE1 3.44Å; F342-E346 PolarHBondContact O-N 3.44Å
343N96.7Very high96.2Very high64 Ų6457 Ų5734%0.34229%0.289SS..Hα-helixtrans-62.1-36.9179.1-74-42.9000112.5S339 L341 A347S339-N343 WeakPolarHBondContact O-CB 3.45Å; S339-N343 VanDerWaalsContact O-CG 3.24Å; S339-N343 PolarHBondContact O-N 2.87Å; S339-N343 VanDerWaalsContact O-N 3.13Å; S339-N343 PolarHBondContact O-ND2 3.46Å; L341-N343 PolarHBondContact O-N 3.33Å; N343-A347 WeakPolarHBondContact O-CB 3.31Å; N343-A347 PolarHBondContact O-N 3.01Å
344F98.1Very high96.3Very high25 Ų2557.8 Ų57.811%0.1130%0.295CS..Hα-helixtrans-62.8-51.6174.4177.2-106.8000111.5D340 L341 F342 E346 A347 V348 L362 M365 P408 V409 Q412D340-F344 WeakPolarHBondContact O-CB 3.41Å; D340-F344 PolarHBondContact O-N 2.91Å; L341-F344 WeakPolarHBondContact O-CB 3.14Å; L341-F344 PolarHBondContact O-N 3.42Å; F342-F344 VanDerWaalsContact C-N 3.29Å; F342-F344 PolarHBondContact O-N 3.49Å; F344-E346 PolarHBondContact O-N 3.46Å; F344-A347 PolarHBondContact O-N 3.43Å; F344-V348 HydrophobicContact CD1-CG2 4.45Å; F344-V348 HydrophobicContact CD2-CG2 4.26Å; F344-V348 HydrophobicContact CE1-CG2 4.08Å; F344-V348 HydrophobicContact CE2-CG2 3.87Å; F344-V348 HydrophobicContact CZ-CG2 3.78Å; F344-V348 WeakPolarHBondContact O-CG2 3.42Å; F344-V348 PolarHBondContact O-N 3.44Å; F344-L362 HydrophobicContact CD2-CD2 4.24Å; F344-L362 HydrophobicContact CE2-CD2 4.4Å; F344-M365 HydrophobicContact CB-CE 3.65Å; F344-M365 HydrophobicContact CB-SD 4.47Å; F344-M365 HydrophobicContact CD2-CE 4.31Å; F344-M365 HydrophobicContact CG-CE 4.47Å; F344-P408 HydrophobicContact CE1-CB 4.5Å; F344-P408 HydrophobicContact CE2-CB 4.01Å; F344-P408 HydrophobicContact CZ-CB 3.72Å; F344-V409 HydrophobicContact CD2-CG2 4Å; F344-V409 HydrophobicContact CE2-CG2 4.26Å; F344-Q412 HydrophobicContact CE2-CG 3.88Å; F344-Q412 HydrophobicContact CZ-CG 3.89Å
345I97.9Very high96.4Very high0 Ų050.6 Ų50.60%027%0.274CS..Hα-helixtrans-57.9-48.5179.9-71.8170.5000110.3L310 L311 I314 L326 L337 L341 F342 A347 V348 I349L310-I345 HydrophobicContact CB-CD1 4.05Å; L310-I345 HydrophobicContact CD1-CD1 4.1Å; L311-I345 HydrophobicContact CD2-CG1 4.48Å; I314-I345 HydrophobicContact CD1-CB 4.26Å; I314-I345 HydrophobicContact CD1-CG1 4Å; I314-I345 HydrophobicContact CD1-CG2 4.04Å; L326-I345 HydrophobicContact CD2-CG2 4.05Å; L337-I345 HydrophobicContact CD1-CD1 4.26Å; L341-I345 HydrophobicContact CD1-CD1 3.93Å; L341-I345 HydrophobicContact CD1-CG1 4.17Å; L341-I345 HydrophobicContact CG-CD1 3.89Å; L341-I345 WeakPolarHBondContact O-CG1 3.12Å; L341-I345 PolarHBondContact O-N 3.2Å; F342-I345 PolarHBondContact O-N 2.85Å; I345-A347 VanDerWaalsContact C-N 3.34Å; I345-A347 PolarHBondContact O-N 3.28Å; I345-V348 PolarHBondContact O-N 3.11Å; I345-I349 HydrophobicContact CG2-CD1 3.71Å; I345-I349 HydrophobicContact CG2-CG1 4.49Å; I345-I349 WeakPolarHBondContact O-CG1 3.3Å; I345-I349 PolarHBondContact O-N 3.47Å
346E97.4Very high96.6Very high63 Ų6349.6 Ų49.629%0.29427%0.27SS..Hα-helixtrans-58-44.9176.8-77.1-158.714100112.3L326 F342 F344 V348 I349 L350 R361L326-E346 HydrophobicContact CD2-CG 4.19Å; F342-E346 HydrophobicContact CD1-CG 4.31Å; F342-E346 HydrophobicContact CE1-CG 3.8Å; F342-E346 WeakPolarHBondContact CE1-OE1 3.38Å; F342-E346 HydrophobicContact CE2-CG 4.37Å; F342-E346 HydrophobicContact CZ-CG 3.83Å; F342-E346 VanDerWaalsContact CZ-OE1 3.28Å; F342-E346 WeakPolarHBondContact CZ-OE1 3.44Å; F342-E346 PolarHBondContact O-N 3.44Å; F344-E346 PolarHBondContact O-N 3.46Å; E346-V348 VanDerWaalsContact C-N 3.3Å; E346-V348 PolarHBondContact O-N 3.26Å; E346-I349 PolarHBondContact O-N 2.54Å; E346-L350 WeakPolarHBondContact O-CB 3.44Å; E346-L350 PolarHBondContact O-N 2.92Å; E346-R361 IonicContact OE2-NH1 3.8Å; E346-R361 PolarHBondContact OE2-NH1 3.27Å
347A98Very high96.7Very high0 Ų050.5 Ų50.50%028%0.279CS..Hα-helixtrans-64.5-36.9-179.900000111.9N343 F344 I345 R351 A358 R361 L362N343-A347 WeakPolarHBondContact O-CB 3.31Å; N343-A347 PolarHBondContact O-N 3.01Å; F344-A347 PolarHBondContact O-N 3.43Å; I345-A347 VanDerWaalsContact C-N 3.34Å; I345-A347 PolarHBondContact O-N 3.28Å; A347-R351 PolarHBondContact O-N 2.8Å; A347-A358 VanDerWaalsContact O-CB 3.26Å; A347-A358 WeakPolarHBondContact O-CB 3.32Å; A347-R361 HydrophobicContact CB-CB 4Å; A347-L362 HydrophobicContact CB-CD2 3.98Å; A347-L362 HydrophobicContact CB-CG 4.04Å
348V98Very high96.7Very high0 Ų049.9 Ų49.90%028%0.276CS..Hα-helixtrans-70.7-39.7177.7176.40000111.9I314 Y319 F344 I345 E346 R351 Q412I314-V348 HydrophobicContact CD1-CB 4.3Å; I314-V348 HydrophobicContact CD1-CG1 4.19Å; I314-V348 HydrophobicContact CG1-CG1 4.2Å; I314-V348 HydrophobicContact CG2-CG1 3.64Å; Y319-V348 HydrophobicContact CE1-CG1 4.05Å; F344-V348 HydrophobicContact CD1-CG2 4.45Å; F344-V348 HydrophobicContact CD2-CG2 4.26Å; F344-V348 HydrophobicContact CE1-CG2 4.08Å; F344-V348 HydrophobicContact CE2-CG2 3.87Å; F344-V348 HydrophobicContact CZ-CG2 3.78Å; F344-V348 WeakPolarHBondContact O-CG2 3.42Å; F344-V348 PolarHBondContact O-N 3.44Å; I345-V348 PolarHBondContact O-N 3.11Å; E346-V348 VanDerWaalsContact C-N 3.3Å; E346-V348 PolarHBondContact O-N 3.26Å; V348-R351 WeakPolarHBondContact O-CB 3.34Å; V348-R351 PolarHBondContact O-N 3.22Å; V348-Q412 HydrophobicContact CG2-CB 4.29Å; V348-Q412 HydrophobicContact CG2-CG 3.67Å
349I97.2Very high96.9Very high26 Ų2647.9 Ų47.913%0.13326%0.258CS..Hα-helixtrans-66-47.8174.3-67.6168.1000110.2A322 A323 L326 I345 E346 R351 Q352A322-I349 HydrophobicContact CB-CD1 3.87Å; A322-I349 HydrophobicContact CB-CG1 4.16Å; A323-I349 HydrophobicContact CB-CG2 3.78Å; L326-I349 HydrophobicContact CD2-CD1 4.21Å; I345-I349 HydrophobicContact CG2-CD1 3.71Å; I345-I349 HydrophobicContact CG2-CG1 4.49Å; I345-I349 WeakPolarHBondContact O-CG1 3.3Å; I345-I349 PolarHBondContact O-N 3.47Å; E346-I349 PolarHBondContact O-N 2.54Å; I349-R351 PolarHBondContact O-N 2.99Å; I349-Q352 PolarHBondContact O-N 3.22Å; I349-Q352 VanDerWaalsContact O-N 3.08Å
350L96.7Very high97Very high40 Ų4047.1 Ų47.121%0.20925%0.247CC..Hα-helixtrans-57.3-26.7179.8-176.363.5000112.6E346 Q352 T353 A354 D357 A358E346-L350 WeakPolarHBondContact O-CB 3.44Å; E346-L350 PolarHBondContact O-N 2.92Å; L350-Q352 PolarHBondContact O-N 2.95Å; L350-Q352 VanDerWaalsContact O-N 3.12Å; L350-T353 PolarHBondContact O-N 2.84Å; L350-T353 VanDerWaalsContact O-N 3.07Å; L350-T353 PolarHBondContact O-OG1 3.43Å; L350-A354 HydrophobicContact CD1-CB 3.89Å; L350-A354 HydrophobicContact CG-CB 4.14Å; L350-A354 CarbonylContact O-C 3.56Å; L350-A354 PolarHBondContact O-N 3.37Å; L350-D357 HydrophobicContact CD2-CB 3.99Å; L350-A358 HydrophobicContact CB-CB 4.39Å; L350-A358 HydrophobicContact CG-CB 4.44Å
351R95.7Very high97.2Very high16 Ų1648.9 Ų48.96%0.0625%0.248CC..THydrogen-bonded Turntrans-53.1-32.5176.4-172.2178.464.481.7-2.2113.1Y319 A347 V348 I349 T353 P355 A358 I416 D419Y319-R351 VanDerWaalsContact CZ-NH2 3.3Å; Y319-R351 PolarHBondContact OH-NH2 2.89Å; A347-R351 PolarHBondContact O-N 2.8Å; V348-R351 WeakPolarHBondContact O-CB 3.34Å; V348-R351 PolarHBondContact O-N 3.22Å; I349-R351 PolarHBondContact O-N 2.99Å; R351-T353 VanDerWaalsContact C-N 3.31Å; R351-T353 PolarHBondContact O-N 3.48Å; R351-P355 WeakPolarHBondContact O-CG 3.36Å; R351-A358 HydrophobicContact CB-CB 3.98Å; R351-I416 VanDerWaalsContact CD-CG1 3.46Å; R351-I416 HydrophobicContact CG-CD1 4.27Å; R351-I416 HydrophobicContact CG-CG1 3.68Å; R351-D419 IonicContact CZ-OD2 3.73Å; R351-D419 IonicContact NH1-OD2 2.67Å; R351-D419 PolarHBondContact NH1-OD2 3.34Å
352Q94Very high97.3Very high90 Ų9046.9 Ų46.942%0.42124%0.238SC..THydrogen-bonded Turntrans-64.7-35.3-180-63.5-49.8-55.900112.7Y319 I349 L350Y319-Q352 HydrophobicContact CD1-CG 4.36Å; Y319-Q352 HydrophobicContact CD2-CG 3.61Å; Y319-Q352 HydrophobicContact CE2-CG 4.38Å; Y319-Q352 HydrophobicContact CG-CG 3.59Å; I349-Q352 PolarHBondContact O-N 3.22Å; I349-Q352 VanDerWaalsContact O-N 3.08Å; L350-Q352 PolarHBondContact O-N 2.95Å; L350-Q352 VanDerWaalsContact O-N 3.12Å
353T95Very high97.3Very high120 Ų12046.7 Ų46.774%0.73624%0.24SC*.THydrogen-bonded Turntrans-110.6-31.2-171.454.30000113L350 R351L350-T353 PolarHBondContact O-N 2.84Å; L350-T353 VanDerWaalsContact O-N 3.07Å; L350-T353 PolarHBondContact O-OG1 3.43Å; R351-T353 VanDerWaalsContact C-N 3.31Å; R351-T353 PolarHBondContact O-N 3.48Å
354A97.4Very high97.4Very high23 Ų2350.1 Ų50.119%0.1925%0.254CS..  trans-139.476179.400000112L350 Q356 D357 A358L350-A354 HydrophobicContact CD1-CB 3.89Å; L350-A354 HydrophobicContact CG-CB 4.14Å; L350-A354 CarbonylContact O-C 3.56Å; L350-A354 PolarHBondContact O-N 3.37Å; A354-Q356 VanDerWaalsContact C-N 3.3Å; A354-Q356 PolarHBondContact O-N 3.38Å; A354-D357 HydrophobicContact CB-CB 4.01Å; A354-D357 PolarHBondContact O-N 3.22Å; A354-D357 VanDerWaalsContact O-N 3.17Å; A354-A358 PolarHBondContact O-N 3.23Å
355P97.2Very high97.4Very high57 Ų5750 Ų5037%0.3725%0.254SS..Hα-helixtrans-56.3-37.3-176.8-23.629.5000114.6R351 Y359 I416R351-P355 WeakPolarHBondContact O-CG 3.36Å; P355-Y359 WeakPolarHBondContact O-CB 3.28Å; P355-Y359 PolarHBondContact O-N 3.09Å; P355-I416 HydrophobicContact CB-CG2 4.08Å
356Q96.8Very high97.4Very high103 Ų10350.3 Ų50.348%0.48126%0.256SS..Hα-helixtrans-72.3-37.2-179.3-172.958.753.500112.3A354 Y359 N360A354-Q356 VanDerWaalsContact C-N 3.3Å; A354-Q356 PolarHBondContact O-N 3.38Å; Q356-Y359 WeakPolarHBondContact O-CB 3.46Å; Q356-Y359 PolarHBondContact O-N 3.08Å; Q356-N360 PolarHBondContact NE2-OD1 3.49Å; Q356-N360 PolarHBondContact O-N 3.41Å; Q356-N360 PolarHBondContact O-ND2 2.89Å; Q356-N360 PolarHBondContact O-OD1 3.31Å
357D97.8Very high97.4Very high91 Ų9151.1 Ų51.149%0.48726%0.262SS..Hα-helixtrans-70.6-40.7176.8-66.9-26.6000110.7L350 A354 Y359 N360 R361L350-D357 HydrophobicContact CD2-CB 3.99Å; A354-D357 HydrophobicContact CB-CB 4.01Å; A354-D357 PolarHBondContact O-N 3.22Å; A354-D357 VanDerWaalsContact O-N 3.17Å; D357-Y359 VanDerWaalsContact C-N 3.33Å; D357-Y359 PolarHBondContact O-N 2.95Å; D357-N360 PolarHBondContact O-N 3.4Å; D357-R361 PolarHBondContact O-N 3.5Å
358A98Very high97.4Very high0 Ų055 Ų550%028%0.279CS..Hα-helixtrans-56.3-46.8169.600000111.5A347 L350 R351 A354 N360 R361 L362 I416A347-A358 VanDerWaalsContact O-CB 3.26Å; A347-A358 WeakPolarHBondContact O-CB 3.32Å; L350-A358 HydrophobicContact CB-CB 4.39Å; L350-A358 HydrophobicContact CG-CB 4.44Å; R351-A358 HydrophobicContact CB-CB 3.98Å; A354-A358 PolarHBondContact O-N 3.23Å; A358-N360 VanDerWaalsContact C-N 3.33Å; A358-N360 PolarHBondContact O-N 3.19Å; A358-R361 PolarHBondContact O-N 3.5Å; A358-L362 VanDerWaalsContact O-CG 3.31Å; A358-L362 WeakPolarHBondContact O-CG 3.47Å; A358-L362 PolarHBondContact O-N 3.46Å; A358-I416 HydrophobicContact CB-CD1 4.32Å
359Y98.4Very high97.4Very high28 Ų2855.5 Ų55.511%0.1128%0.281CS..Hα-helixtrans-58.1-45176.5-173-85.3000111.9P355 Q356 D357 R361 L362 D363 Q413 I416 Y417 I429P355-Y359 WeakPolarHBondContact O-CB 3.28Å; P355-Y359 PolarHBondContact O-N 3.09Å; Q356-Y359 WeakPolarHBondContact O-CB 3.46Å; Q356-Y359 PolarHBondContact O-N 3.08Å; D357-Y359 VanDerWaalsContact C-N 3.33Å; D357-Y359 PolarHBondContact O-N 2.95Å; Y359-R361 VanDerWaalsContact C-N 3.33Å; Y359-R361 PolarHBondContact O-N 3.35Å; Y359-L362 PolarHBondContact O-N 3.43Å; Y359-D363 HydrophobicContact CD1-CB 4.49Å; Y359-D363 HydrophobicContact CE1-CB 4.19Å; Y359-D363 WeakPolarHBondContact O-CB 3.48Å; Y359-D363 PolarHBondContact O-N 2.98Å; Y359-Q413 HydrophobicContact CD2-CB 4.36Å; Y359-Q413 HydrophobicContact CD2-CG 4.49Å; Y359-Q413 HydrophobicContact CE2-CB 3.95Å; Y359-Q413 HydrophobicContact CE2-CG 4.22Å; Y359-I416 HydrophobicContact CD2-CD1 4.16Å; Y359-Y417 HydrophobicContact CD2-CD2 4.4Å; Y359-Y417 AromaticContact CD2-CE2 3.75Å; Y359-Y417 HydrophobicContact CD2-CE2 3.75Å; Y359-Y417 HydrophobicContact CE2-CD2 4.15Å; Y359-Y417 AromaticContact CE2-CE2 3.49Å; Y359-Y417 HydrophobicContact CE2-CE2 3.49Å; Y359-Y417 VanDerWaalsContact CE2-CE2 3.49Å; Y359-I429 HydrophobicContact CE2-CD1 3.9Å
360N98.2Very high97.4Very high74 Ų7455.1 Ų55.140%0.39628%0.28SS..Hα-helixtrans-62.2-39.7179.7-65-24000112Q356 D357 A358 D363 Q364Q356-N360 PolarHBondContact NE2-OD1 3.49Å; Q356-N360 PolarHBondContact O-N 3.41Å; Q356-N360 PolarHBondContact O-ND2 2.89Å; Q356-N360 PolarHBondContact O-OD1 3.31Å; D357-N360 PolarHBondContact O-N 3.4Å; A358-N360 VanDerWaalsContact C-N 3.33Å; A358-N360 PolarHBondContact O-N 3.19Å; N360-D363 PolarHBondContact O-N 3.26Å; N360-Q364 WeakPolarHBondContact O-CG 3.49Å; N360-Q364 PolarHBondContact O-N 3.13Å
361R98.2Very high97.5Very high105 Ų10559 Ų5940%0.39630%0.297SS..Hα-helixtrans-65.6-47.2175.1-69-176-178.7-150.84111.5E346 A347 D357 A358 Y359 D363 Q364 M365E346-R361 IonicContact OE2-NH1 3.8Å; E346-R361 PolarHBondContact OE2-NH1 3.27Å; A347-R361 HydrophobicContact CB-CB 4Å; D357-R361 PolarHBondContact O-N 3.5Å; A358-R361 PolarHBondContact O-N 3.5Å; Y359-R361 VanDerWaalsContact C-N 3.33Å; Y359-R361 PolarHBondContact O-N 3.35Å; R361-D363 VanDerWaalsContact C-N 3.29Å; R361-D363 PolarHBondContact O-N 3.13Å; R361-Q364 WeakPolarHBondContact O-CB 3.5Å; R361-Q364 PolarHBondContact O-N 2.87Å; R361-M365 WeakPolarHBondContact O-CG 3.5Å; R361-M365 PolarHBondContact O-N 3.06Å
362L98.4Very high97.6Very high0 Ų061.8 Ų61.80%031%0.311CS..Hα-helixtrans-62.9-35.5177.5-67.1167000112F344 A347 A358 Y359 M365 A366 V409 Q412 Q413 I416F344-L362 HydrophobicContact CD2-CD2 4.24Å; F344-L362 HydrophobicContact CE2-CD2 4.4Å; A347-L362 HydrophobicContact CB-CD2 3.98Å; A347-L362 HydrophobicContact CB-CG 4.04Å; A358-L362 VanDerWaalsContact O-CG 3.31Å; A358-L362 WeakPolarHBondContact O-CG 3.47Å; A358-L362 PolarHBondContact O-N 3.46Å; Y359-L362 PolarHBondContact O-N 3.43Å; L362-M365 HydrophobicContact CD2-SD 4.44Å; L362-M365 PolarHBondContact O-N 2.91Å; L362-A366 WeakPolarHBondContact O-CB 3.27Å; L362-A366 PolarHBondContact O-N 2.94Å; L362-V409 HydrophobicContact CB-CG1 4.19Å; L362-V409 HydrophobicContact CD2-CG1 4.11Å; L362-V409 VanDerWaalsContact O-CG1 3.26Å; L362-V409 WeakPolarHBondContact O-CG1 3.47Å; L362-Q412 HydrophobicContact CD1-CB 3.78Å; L362-Q412 HydrophobicContact CD2-CB 4.18Å; L362-Q413 HydrophobicContact CB-CG 3.58Å; L362-Q413 HydrophobicContact CD1-CG 4.28Å; L362-I416 HydrophobicContact CD1-CD1 3.96Å
363D98.2Very high97.8Very high56 Ų5657.5 Ų57.530%0.29929%0.291SS..Hα-helixtrans-64.9-38.5176.4-163.768.3000112.1Y359 N360 R361 M365 A366 I367 Q413Y359-D363 HydrophobicContact CD1-CB 4.49Å; Y359-D363 HydrophobicContact CE1-CB 4.19Å; Y359-D363 WeakPolarHBondContact O-CB 3.48Å; Y359-D363 PolarHBondContact O-N 2.98Å; N360-D363 PolarHBondContact O-N 3.26Å; R361-D363 VanDerWaalsContact C-N 3.29Å; R361-D363 PolarHBondContact O-N 3.13Å; D363-M365 PolarHBondContact O-N 3.12Å; D363-A366 PolarHBondContact O-N 2.98Å; D363-I367 VanDerWaalsContact O-CG1 3.27Å; D363-I367 WeakPolarHBondContact O-CG1 3.48Å; D363-I367 PolarHBondContact O-N 3.15Å; D363-Q413 VanDerWaalsContact CA-NE2 3.27Å; D363-Q413 PolarHBondContact OD1-NE2 3.06Å
364Q98Very high98Very high136 Ų13657.3 Ų57.364%0.63628%0.276SS*.Hα-helixtrans-63-42.4173.4-68.3172.914.600111.9N360 R361 I367 K368N360-Q364 WeakPolarHBondContact O-CG 3.49Å; N360-Q364 PolarHBondContact O-N 3.13Å; R361-Q364 WeakPolarHBondContact O-CB 3.5Å; R361-Q364 PolarHBondContact O-N 2.87Å; Q364-I367 PolarHBondContact O-N 3.26Å; Q364-K368 PolarHBondContact O-N 3.07Å; Q364-K368 VanDerWaalsContact O-N 3.08Å
365M98.1Very high98Very high23 Ų2364.8 Ų64.811%0.11330%0.3CS..Hα-helixtrans-63.8-43.7175.1-61.5175.57600111.4F344 R361 L362 D363 I367 K368 H369 V409F344-M365 HydrophobicContact CB-CE 3.65Å; F344-M365 HydrophobicContact CB-SD 4.47Å; F344-M365 HydrophobicContact CD2-CE 4.31Å; F344-M365 HydrophobicContact CG-CE 4.47Å; R361-M365 WeakPolarHBondContact O-CG 3.5Å; R361-M365 PolarHBondContact O-N 3.06Å; L362-M365 HydrophobicContact CD2-SD 4.44Å; L362-M365 PolarHBondContact O-N 2.91Å; D363-M365 PolarHBondContact O-N 3.12Å; M365-I367 PolarHBondContact O-N 3.1Å; M365-K368 WeakPolarHBondContact O-CB 3.4Å; M365-K368 PolarHBondContact O-N 3.29Å; M365-H369 PolarHBondContact O-CD2 3.31Å; M365-H369 PolarHBondContact O-N 2.92Å; M365-V409 HydrophobicContact CB-CG1 3.92Å; M365-V409 HydrophobicContact CB-CG2 4.24Å; M365-V409 HydrophobicContact CE-CG2 4.02Å
366A98.1Very high98.1Very high6 Ų662.4 Ų62.45%0.0528%0.284CS..Hα-helixtrans-60.5-42.3176.600000112.2L362 D363 H369 T370 Y406 V409L362-A366 WeakPolarHBondContact O-CB 3.27Å; L362-A366 PolarHBondContact O-N 2.94Å; D363-A366 PolarHBondContact O-N 2.98Å; A366-H369 PolarHBondContact O-N 3.22Å; A366-T370 WeakPolarHBondContact O-CB 3.42Å; A366-T370 VanDerWaalsContact O-CG2 3.29Å; A366-T370 WeakPolarHBondContact O-CG2 3.29Å; A366-T370 PolarHBondContact O-N 3.07Å; A366-T370 PolarHBondContact O-OG1 2.99Å; A366-Y406 HydrophobicContact CB-CD2 4.48Å; A366-Y406 HydrophobicContact CB-CE2 3.74Å; A366-V409 HydrophobicContact CB-CG1 4.2Å
367I98Very high98.1Very high80 Ų8059.6 Ų59.641%0.4127%0.274SS..Hα-helixtrans-60.4-49.8174.8-69.9163.7000110.1D363 Q364 M365 H369 T370 E371D363-I367 VanDerWaalsContact O-CG1 3.27Å; D363-I367 WeakPolarHBondContact O-CG1 3.48Å; D363-I367 PolarHBondContact O-N 3.15Å; Q364-I367 PolarHBondContact O-N 3.26Å; M365-I367 PolarHBondContact O-N 3.1Å; I367-H369 PolarHBondContact O-N 3.15Å; I367-T370 PolarHBondContact O-N 3.36Å; I367-T370 PolarHBondContact O-OG1 2.69Å; I367-T370 VanDerWaalsContact O-OG1 3.12Å; I367-E371 HydrophobicContact CG2-CG 4.39Å; I367-E371 WeakPolarHBondContact O-CB 3.45Å; I367-E371 WeakPolarHBondContact O-CG 3.5Å; I367-E371 PolarHBondContact O-N 3.38Å
368K97.8Very high98.1Very high82 Ų8261.3 Ų61.336%0.35728%0.277SS..Hα-helixtrans-54.7-48.5177.6178.6-176.9168.5-170.50111.8D340 Q364 M365 Q372D340-K368 VanDerWaalsContact CG-NZ 3.27Å; D340-K368 IonicContact OD1-NZ 3.3Å; D340-K368 PolarHBondContact OD1-NZ 3Å; D340-K368 IonicContact OD2-NZ 3.74Å; D340-K368 PolarHBondContact OD2-NZ 3.42Å; Q364-K368 PolarHBondContact O-N 3.07Å; Q364-K368 VanDerWaalsContact O-N 3.08Å; M365-K368 WeakPolarHBondContact O-CB 3.4Å; M365-K368 PolarHBondContact O-N 3.29Å; K368-Q372 WeakPolarHBondContact O-CG 3.47Å; K368-Q372 PolarHBondContact O-N 2.92Å; K368-Q372 VanDerWaalsContact O-N 3.16Å
369H98.1Very high98.1Very high10 Ų1063.6 Ų63.65%0.04629%0.288CS..Hα-helixtrans-66.6-44.3179.4-71.1-54.7000112.8M365 A366 I367 E371 Q372 L373 V402 Y406M365-H369 PolarHBondContact O-CD2 3.31Å; M365-H369 PolarHBondContact O-N 2.92Å; A366-H369 PolarHBondContact O-N 3.22Å; I367-H369 PolarHBondContact O-N 3.15Å; H369-E371 VanDerWaalsContact C-N 3.33Å; H369-E371 PolarHBondContact O-N 3Å; H369-Q372 WeakPolarHBondContact O-CB 3.3Å; H369-Q372 PolarHBondContact O-N 3.08Å; H369-L373 VanDerWaalsContact O-CG 3.31Å; H369-L373 WeakPolarHBondContact O-CG 3.46Å; H369-L373 PolarHBondContact O-N 2.78Å; H369-V402 HydrophobicContact CB-CG1 4.4Å; H369-Y406 HydrophobicContact CB-CD2 3.91Å; H369-Y406 HydrophobicContact CB-CG 4.06Å
370T97.7Very high98.1Very high17 Ų1763 Ų6310%0.10429%0.287CS..Hα-helixtrans-68-31.9-179.156.80000112.8A366 I367 R374 Y406 F436A366-T370 WeakPolarHBondContact O-CB 3.42Å; A366-T370 VanDerWaalsContact O-CG2 3.29Å; A366-T370 WeakPolarHBondContact O-CG2 3.29Å; A366-T370 PolarHBondContact O-N 3.07Å; A366-T370 PolarHBondContact O-OG1 2.99Å; I367-T370 PolarHBondContact O-N 3.36Å; I367-T370 PolarHBondContact O-OG1 2.69Å; I367-T370 VanDerWaalsContact O-OG1 3.12Å; T370-R374 WeakPolarHBondContact O-CG 3.45Å; T370-R374 PolarHBondContact O-N 3.25Å; T370-Y406 HydrophobicContact CG2-CE1 4.05Å; T370-Y406 HydrophobicContact CG2-CE2 4.13Å; T370-F436 HydrophobicContact CG2-CD2 3.98Å; T370-F436 HydrophobicContact CG2-CE2 3.65Å
371E98Very high98Very high122 Ų12264.5 Ų64.557%0.5729%0.292SS*.Hα-helixtrans-64.7-43.3170-73.5-179.6169.800112I367 H369 R374 R375I367-E371 HydrophobicContact CG2-CG 4.39Å; I367-E371 WeakPolarHBondContact O-CB 3.45Å; I367-E371 WeakPolarHBondContact O-CG 3.5Å; I367-E371 PolarHBondContact O-N 3.38Å; H369-E371 VanDerWaalsContact C-N 3.33Å; H369-E371 PolarHBondContact O-N 3Å; E371-R374 PolarHBondContact O-N 3.49Å; E371-R375 WeakPolarHBondContact O-CB 3.42Å; E371-R375 PolarHBondContact O-N 3.07Å
372Q98.1Very high98Very high75 Ų7563.6 Ų63.635%0.3529%0.292SS..Hα-helixtrans-61.2-47.2174-72.7176.2-16.300111.5K368 H369 R374 R375 L376 V402K368-Q372 WeakPolarHBondContact O-CG 3.47Å; K368-Q372 PolarHBondContact O-N 2.92Å; K368-Q372 VanDerWaalsContact O-N 3.16Å; H369-Q372 WeakPolarHBondContact O-CB 3.3Å; H369-Q372 PolarHBondContact O-N 3.08Å; Q372-R374 PolarHBondContact O-N 3.24Å; Q372-R375 WeakPolarHBondContact O-CB 3.35Å; Q372-R375 PolarHBondContact O-N 3.28Å; Q372-L376 WeakPolarHBondContact O-CG 3.38Å; Q372-L376 PolarHBondContact O-N 3.41Å; Q372-V402 HydrophobicContact CB-CG1 3.99Å
373L98.4Very high98Very high0 Ų063.8 Ų63.80%029%0.293CS..Hα-helixtrans-58.7-46.8178.2-69.8168.5000111.4H369 R375 L376 T377 Y399 V402 L403 Y406 F436H369-L373 VanDerWaalsContact O-CG 3.31Å; H369-L373 WeakPolarHBondContact O-CG 3.46Å; H369-L373 PolarHBondContact O-N 2.78Å; L373-R375 VanDerWaalsContact C-N 3.33Å; L373-R375 PolarHBondContact O-N 3.4Å; L373-L376 PolarHBondContact O-N 3.19Å; L373-T377 WeakPolarHBondContact O-CB 3.41Å; L373-T377 PolarHBondContact O-N 2.91Å; L373-T377 PolarHBondContact O-OG1 3.2Å; L373-Y399 HydrophobicContact CB-CE2 4Å; L373-Y399 HydrophobicContact CD2-CD1 4.39Å; L373-Y399 HydrophobicContact CD2-CD2 3.65Å; L373-Y399 HydrophobicContact CD2-CE1 4.26Å; L373-Y399 HydrophobicContact CD2-CE2 3.5Å; L373-Y399 HydrophobicContact CD2-CG 4.09Å; L373-Y399 HydrophobicContact CG-CE2 4.34Å; L373-V402 HydrophobicContact CD2-CB 3.95Å; L373-V402 HydrophobicContact CD2-CG1 3.77Å; L373-V402 HydrophobicContact CG-CB 4.5Å; L373-V402 HydrophobicContact CG-CG1 3.77Å; L373-L403 HydrophobicContact CD1-CD1 4.44Å; L373-L403 HydrophobicContact CD2-CB 4.17Å; L373-Y406 HydrophobicContact CD1-CD1 4.05Å; L373-F436 HydrophobicContact CB-CD1 3.8Å; L373-F436 HydrophobicContact CB-CE1 3.91Å; L373-F436 HydrophobicContact CB-CG 4.41Å; L373-F436 HydrophobicContact CD1-CB 4.03Å; L373-F436 HydrophobicContact CD1-CD1 4.14Å; L373-F436 HydrophobicContact CD1-CD2 4.37Å; L373-F436 HydrophobicContact CD1-CG 3.91Å
374R98.3Very high97.9Very high116 Ų11668.6 Ų68.644%0.43831%0.307SS..Hα-helixtrans-60.8-41.1176.2-73-177.8-174.1113.18.5112.6T370 E371 Q372 T377 K378 E435 F436T370-R374 WeakPolarHBondContact O-CG 3.45Å; T370-R374 PolarHBondContact O-N 3.25Å; E371-R374 PolarHBondContact O-N 3.49Å; Q372-R374 PolarHBondContact O-N 3.24Å; R374-T377 PolarHBondContact O-N 3.23Å; R374-K378 PolarHBondContact O-N 3.32Å; R374-E435 IonicContact CZ-OE2 2.71Å; R374-E435 IonicContact NE-OE1 3.68Å; R374-E435 IonicContact NE-OE2 3.57Å; R374-E435 PolarHBondContact NE-OE2 3.17Å; R374-E435 IonicContact NH2-OE2 3.1Å; R374-E435 PolarHBondContact NH2-OE2 3.47Å; R374-F436 HydrophobicContact CG-CE1 3.8Å; R374-F436 HydrophobicContact CG-CZ 3.67Å
375R98.4Very high97.8Very high180 Ų18069.4 Ų69.468%0.67931%0.311SS*.Hα-helixtrans-61.2-47.8176-178.6-175.5174.8-165.5-3.4110.8E371 Q372 L373 K378 I379E371-R375 WeakPolarHBondContact O-CB 3.42Å; E371-R375 PolarHBondContact O-N 3.07Å; Q372-R375 WeakPolarHBondContact O-CB 3.35Å; Q372-R375 PolarHBondContact O-N 3.28Å; L373-R375 VanDerWaalsContact C-N 3.33Å; L373-R375 PolarHBondContact O-N 3.4Å; R375-K378 WeakPolarHBondContact O-CB 3.2Å; R375-K378 PolarHBondContact O-N 3.42Å; R375-I379 HydrophobicContact CG-CD1 4.15Å; R375-I379 WeakPolarHBondContact O-CG1 3.29Å; R375-I379 PolarHBondContact O-N 2.82Å
376L98.3Very high97.8Very high6 Ų674.5 Ų74.53%0.03134%0.339CS..Hα-helixtrans-65-41.3179.2-67.4170.8000111.6Q372 L373 K378 I379 I380 T395 E398 Y399 V402Q372-L376 WeakPolarHBondContact O-CG 3.38Å; Q372-L376 PolarHBondContact O-N 3.41Å; L373-L376 PolarHBondContact O-N 3.19Å; L376-K378 VanDerWaalsContact C-N 3.29Å; L376-K378 PolarHBondContact O-N 3.45Å; L376-I379 PolarHBondContact O-N 3.23Å; L376-I380 VanDerWaalsContact O-CG1 3.28Å; L376-I380 WeakPolarHBondContact O-CG1 3.38Å; L376-I380 PolarHBondContact O-N 3Å; L376-T395 HydrophobicContact CB-CG2 4.19Å; L376-T395 HydrophobicContact CD2-CG2 3.65Å; L376-E398 HydrophobicContact CD1-CB 4.39Å; L376-E398 HydrophobicContact CD1-CG 3.98Å; L376-E398 HydrophobicContact CD2-CB 4.33Å; L376-E398 HydrophobicContact CD2-CG 4.06Å; L376-E398 WeakPolarHBondContact CD2-OE2 3.49Å; L376-Y399 HydrophobicContact CB-CD2 4.09Å; L376-V402 HydrophobicContact CD1-CB 4.46Å; L376-V402 HydrophobicContact CD1-CG2 3.99Å
377T97.6Very high97.7Very high45 Ų4582.2 Ų82.228%0.27637%0.374SS..Hα-helixtrans-56.2-43.8173.2-57.90000111.6L373 R374 I380 Q381 Y399L373-T377 WeakPolarHBondContact O-CB 3.41Å; L373-T377 PolarHBondContact O-N 2.91Å; L373-T377 PolarHBondContact O-OG1 3.2Å; R374-T377 PolarHBondContact O-N 3.23Å; T377-I380 PolarHBondContact O-N 3.4Å; T377-Q381 VanDerWaalsContact O-CG 3.32Å; T377-Q381 WeakPolarHBondContact O-CG 3.34Å; T377-Q381 PolarHBondContact O-N 3.3Å; T377-Y399 WeakPolarHBondContact OG1-CE2 3.35Å
378K97.8Very high97.6Very high126 Ų12681.7 Ų81.755%0.54837%0.372SS..Hα-helixtrans-63-45.5176.7-175.8179.5172.3-177.50111.8R374 R375 L376 I380 Q381 E382R374-K378 PolarHBondContact O-N 3.32Å; R375-K378 WeakPolarHBondContact O-CB 3.2Å; R375-K378 PolarHBondContact O-N 3.42Å; L376-K378 VanDerWaalsContact C-N 3.29Å; L376-K378 PolarHBondContact O-N 3.45Å; K378-I380 VanDerWaalsContact C-N 3.34Å; K378-I380 PolarHBondContact O-N 3.28Å; K378-Q381 PolarHBondContact O-N 2.82Å; K378-E382 WeakPolarHBondContact CE-OE1 3.46Å; K378-E382 IonicContact NZ-OE1 3.64Å; K378-E382 WeakPolarHBondContact O-CG 3.42Å; K378-E382 PolarHBondContact O-N 3.26Å
379I98.1Very high97.5Very high48 Ų4884 Ų8425%0.24639%0.388CS..Hα-helixtrans-61.4-43.2177.6-66.1166.9000110.8R375 L376 Q381 E382 A383 L391 T395R375-I379 HydrophobicContact CG-CD1 4.15Å; R375-I379 WeakPolarHBondContact O-CG1 3.29Å; R375-I379 PolarHBondContact O-N 2.82Å; L376-I379 PolarHBondContact O-N 3.23Å; I379-Q381 VanDerWaalsContact C-N 3.32Å; I379-Q381 PolarHBondContact O-N 2.97Å; I379-E382 PolarHBondContact O-N 3.4Å; I379-A383 VanDerWaalsContact O-CB 3.23Å; I379-A383 WeakPolarHBondContact O-CB 3.39Å; I379-A383 PolarHBondContact O-N 2.93Å; I379-L391 HydrophobicContact CG2-CD2 4.49Å; I379-T395 HydrophobicContact CB-CG2 4.03Å; I379-T395 HydrophobicContact CG2-CG2 3.8Å
380I97.7Very high97.4Very high15 Ų1589.7 Ų89.78%0.07742%0.415CS..Hα-helixtrans-59.8-43.7176.5-69162.9000110.8L376 T377 K378 R384 T395 V396L376-I380 VanDerWaalsContact O-CG1 3.28Å; L376-I380 WeakPolarHBondContact O-CG1 3.38Å; L376-I380 PolarHBondContact O-N 3Å; T377-I380 PolarHBondContact O-N 3.4Å; K378-I380 VanDerWaalsContact C-N 3.34Å; K378-I380 PolarHBondContact O-N 3.28Å; I380-R384 WeakPolarHBondContact O-CB 3.44Å; I380-R384 VanDerWaalsContact O-CG 3.28Å; I380-R384 WeakPolarHBondContact O-CG 3.44Å; I380-R384 PolarHBondContact O-N 3.33Å; I380-T395 HydrophobicContact CD1-CG2 4.15Å; I380-T395 HydrophobicContact CG1-CG2 3.59Å; I380-V396 HydrophobicContact CD1-CG2 3.81Å; I380-V396 HydrophobicContact CG1-CG2 4.16Å; I380-V396 HydrophobicContact CG2-CG2 4.42Å
381Q97.2Very high97.3Very high107 Ų10792 Ų9250%0.543%0.426SS..Hα-helixtrans-64-46.2178.7-72.3174.53.100112T377 K378 I379 R384 Q385T377-Q381 VanDerWaalsContact O-CG 3.32Å; T377-Q381 WeakPolarHBondContact O-CG 3.34Å; T377-Q381 PolarHBondContact O-N 3.3Å; K378-Q381 PolarHBondContact O-N 2.82Å; I379-Q381 VanDerWaalsContact C-N 3.32Å; I379-Q381 PolarHBondContact O-N 2.97Å; Q381-R384 PolarHBondContact O-N 2.92Å; Q381-Q385 WeakPolarHBondContact O-CG 3.13Å; Q381-Q385 PolarHBondContact O-N 2.95Å
382E97.6Very high97.3Very high86 Ų8687.2 Ų87.240%0.40241%0.405SS..Hα-helixtrans-64.2-42.4177.3-70.4174178.800111.7K378 I379 R384 Q385 N386K378-E382 WeakPolarHBondContact CE-OE1 3.46Å; K378-E382 IonicContact NZ-OE1 3.64Å; K378-E382 WeakPolarHBondContact O-CG 3.42Å; K378-E382 PolarHBondContact O-N 3.26Å; I379-E382 PolarHBondContact O-N 3.4Å; E382-R384 VanDerWaalsContact C-N 3.35Å; E382-R384 PolarHBondContact O-N 3.35Å; E382-Q385 PolarHBondContact O-N 2.95Å; E382-N386 WeakPolarHBondContact O-CB 3.4Å; E382-N386 PolarHBondContact O-N 3.2Å; E382-N386 PolarHBondContact O-ND2 3.07Å; E382-N386 VanDerWaalsContact O-ND2 3.11Å
383A97.3Very high97.2Very high3 Ų390.6 Ų90.63%0.02541%0.414CS..Hα-helixtrans-62.2-40.9176.500000112I379 N386 Q387 N388 L391 V392I379-A383 VanDerWaalsContact O-CB 3.23Å; I379-A383 WeakPolarHBondContact O-CB 3.39Å; I379-A383 PolarHBondContact O-N 2.93Å; A383-N386 CarbonylContact O-C 3.49Å; A383-N386 PolarHBondContact O-N 3.41Å; A383-Q387 PolarHBondContact O-N 2.97Å; A383-Q387 VanDerWaalsContact O-N 3.11Å; A383-N388 PolarHBondContact O-N 3.49Å; A383-L391 HydrophobicContact CB-CB 4.12Å; A383-L391 HydrophobicContact CB-CD2 3.77Å; A383-L391 HydrophobicContact CB-CG 3.86Å; A383-V392 HydrophobicContact CB-CG2 3.62Å
384R97.1Very high97.1Very high158 Ų15893.4 Ų93.460%0.59643%0.432SS*.Hα-helixtrans-63.9-42173.8-75.7177.1-179.4178.22112.3I380 Q381 E382 N386 Q387 V392I380-R384 WeakPolarHBondContact O-CB 3.44Å; I380-R384 VanDerWaalsContact O-CG 3.28Å; I380-R384 WeakPolarHBondContact O-CG 3.44Å; I380-R384 PolarHBondContact O-N 3.33Å; Q381-R384 PolarHBondContact O-N 2.92Å; E382-R384 VanDerWaalsContact C-N 3.35Å; E382-R384 PolarHBondContact O-N 3.35Å; R384-N386 PolarHBondContact O-N 3.14Å; R384-Q387 PolarHBondContact O-N 3.21Å; R384-Q387 VanDerWaalsContact O-N 3.14Å; R384-V392 HydrophobicContact CB-CG2 4.45Å; R384-V392 HydrophobicContact CG-CG1 4.33Å; R384-V392 HydrophobicContact CG-CG2 3.6Å
385Q96.9Very high97Very high153 Ų15388.1 Ų88.172%0.71541%0.413SS*.Hα-helixtrans-62.4-35.9176.1-72.9174.711.300111.8Q381 E382 Q387Q381-Q385 WeakPolarHBondContact O-CG 3.13Å; Q381-Q385 PolarHBondContact O-N 2.95Å; E382-Q385 PolarHBondContact O-N 2.95Å; Q385-Q387 VanDerWaalsContact C-N 3.29Å; Q385-Q387 PolarHBondContact O-N 2.93Å
386N96.6Very high97Very high129 Ų12981.8 Ų81.869%0.6939%0.394SS*.THydrogen-bonded Turntrans-85.35.3177.2-65.8-36.2000114E382 A383 R384 N388E382-N386 WeakPolarHBondContact O-CB 3.4Å; E382-N386 PolarHBondContact O-N 3.2Å; E382-N386 PolarHBondContact O-ND2 3.07Å; E382-N386 VanDerWaalsContact O-ND2 3.11Å; A383-N386 CarbonylContact O-C 3.49Å; A383-N386 PolarHBondContact O-N 3.41Å; R384-N386 PolarHBondContact O-N 3.14Å; N386-N388 PolarHBondContact O-N 3.26Å
387Q95.7Very high96.8Very high168 Ų16886.8 Ų86.879%0.78542%0.417SS*.THydrogen-bonded Turntrans52.933.8-177.3-571787.400113.4A383 R384 Q385 D389A383-Q387 PolarHBondContact O-N 2.97Å; A383-Q387 VanDerWaalsContact O-N 3.11Å; R384-Q387 PolarHBondContact O-N 3.21Å; R384-Q387 VanDerWaalsContact O-N 3.14Å; Q385-Q387 VanDerWaalsContact C-N 3.29Å; Q385-Q387 PolarHBondContact O-N 2.93Å; Q387-D389 PolarHBondContact O-N 2.87Å
388N96.8Very high96.8Very high69 Ų6989.7 Ų89.737%0.36943%0.427SS..  trans-9481.1178-172.2-15.7000110.3A383 N386 E390 L391 V392A383-N388 PolarHBondContact O-N 3.49Å; N386-N388 PolarHBondContact O-N 3.26Å; N388-E390 VanDerWaalsContact C-N 3.28Å; N388-E390 PolarHBondContact O-N 3.36Å; N388-L391 HydrophobicContact CB-CB 4.22Å; N388-L391 VanDerWaalsContact CG-CB 3.48Å; N388-L391 PolarHBondContact O-N 3.4Å; N388-L391 WeakPolarHBondContact OD1-CB 3.46Å; N388-L391 PolarHBondContact OD1-N 3.28Å; N388-L391 VanDerWaalsContact OD1-N 3.13Å; N388-V392 WeakPolarHBondContact O-CG2 3.46Å; N388-V392 PolarHBondContact O-N 2.89Å
389D95.7Very high96.8Very high130 Ų13085.5 Ų85.570%0.69541%0.408SS*.Hα-helixtrans-62.3-32.9-175.4-68.3-28.7000113.4Q387 V392 R393Q387-D389 PolarHBondContact O-N 2.87Å; D389-V392 PolarHBondContact O-N 3.38Å; D389-R393 WeakPolarHBondContact O-CB 3.3Å; D389-R393 PolarHBondContact O-N 3.24Å
390E95.5Very high96.8Very high131 Ų13187 Ų8761%0.61242%0.417SS*.Hα-helixtrans-65.8-47.1178.1-178170.8-159.500111.2N388 V392 R393 T394N388-E390 VanDerWaalsContact C-N 3.28Å; N388-E390 PolarHBondContact O-N 3.36Å; E390-V392 VanDerWaalsContact C-N 3.33Å; E390-V392 PolarHBondContact O-N 3.23Å; E390-R393 PolarHBondContact O-N 3.42Å; E390-T394 PolarHBondContact O-N 3.29Å; E390-T394 PolarHBondContact O-OG1 3.2Å
391L96.9Very high96.7Very high66 Ų6690.8 Ų90.835%0.34644%0.436SS..Hα-helixtrans-65.1-37.3176.4-178.760.7000111.7I379 A383 N388 R393 T394 T395I379-L391 HydrophobicContact CG2-CD2 4.49Å; A383-L391 HydrophobicContact CB-CB 4.12Å; A383-L391 HydrophobicContact CB-CD2 3.77Å; A383-L391 HydrophobicContact CB-CG 3.86Å; N388-L391 HydrophobicContact CB-CB 4.22Å; N388-L391 VanDerWaalsContact CG-CB 3.48Å; N388-L391 PolarHBondContact O-N 3.4Å; N388-L391 WeakPolarHBondContact OD1-CB 3.46Å; N388-L391 PolarHBondContact OD1-N 3.28Å; N388-L391 VanDerWaalsContact OD1-N 3.13Å; L391-R393 VanDerWaalsContact C-N 3.34Å; L391-T394 PolarHBondContact O-OG1 3.47Å; L391-T395 VanDerWaalsContact O-CB 3.26Å; L391-T395 WeakPolarHBondContact O-CB 3.39Å; L391-T395 PolarHBondContact O-N 2.84Å; L391-T395 PolarHBondContact O-OG1 3.32Å
392V97.5Very high96.7Very high21 Ų2186.3 Ų86.313%0.12742%0.416CS..Hα-helixtrans-59-48.2173.3172.40000110.2A383 R384 N388 D389 E390 V396A383-V392 HydrophobicContact CB-CG2 3.62Å; R384-V392 HydrophobicContact CB-CG2 4.45Å; R384-V392 HydrophobicContact CG-CG1 4.33Å; R384-V392 HydrophobicContact CG-CG2 3.6Å; N388-V392 WeakPolarHBondContact O-CG2 3.46Å; N388-V392 PolarHBondContact O-N 2.89Å; D389-V392 PolarHBondContact O-N 3.38Å; E390-V392 VanDerWaalsContact C-N 3.33Å; E390-V392 PolarHBondContact O-N 3.23Å; V392-V396 HydrophobicContact CG1-CG2 4.25Å; V392-V396 WeakPolarHBondContact O-CB 3.34Å; V392-V396 WeakPolarHBondContact O-CG2 3.49Å; V392-V396 PolarHBondContact O-N 3.17Å
393R95.5Very high96.8Very high145 Ų14583 Ų8355%0.54740%0.402SS..Hα-helixtrans-60.9-49.2-178.9-176.5-175.665.4-174.5-2.8112.1D389 E390 L391 Q397D389-R393 WeakPolarHBondContact O-CB 3.3Å; D389-R393 PolarHBondContact O-N 3.24Å; E390-R393 PolarHBondContact O-N 3.42Å; L391-R393 VanDerWaalsContact C-N 3.34Å; R393-Q397 WeakPolarHBondContact O-CG 3.38Å; R393-Q397 PolarHBondContact O-N 3Å; R393-Q397 VanDerWaalsContact O-N 3.17Å
394T95.6Very high96.8Very high60 Ų6087.9 Ų87.937%0.36842%0.423SS..Hα-helixtrans-67.3-40.8-178.554.30000112E390 L391 Q397 E398E390-T394 PolarHBondContact O-N 3.29Å; E390-T394 PolarHBondContact O-OG1 3.2Å; L391-T394 PolarHBondContact O-OG1 3.47Å; T394-Q397 PolarHBondContact O-N 3.42Å; T394-E398 PolarHBondContact O-N 3.41Å
395T97.7Very high96.7Very high5 Ų584.8 Ų84.83%0.03142%0.419CS..Hα-helixtrans-70-34.2179.4-46.40000112.1L376 I379 I380 L391 E398 Y399L376-T395 HydrophobicContact CB-CG2 4.19Å; L376-T395 HydrophobicContact CD2-CG2 3.65Å; I379-T395 HydrophobicContact CB-CG2 4.03Å; I379-T395 HydrophobicContact CG2-CG2 3.8Å; I380-T395 HydrophobicContact CD1-CG2 4.15Å; I380-T395 HydrophobicContact CG1-CG2 3.59Å; L391-T395 VanDerWaalsContact O-CB 3.26Å; L391-T395 WeakPolarHBondContact O-CB 3.39Å; L391-T395 PolarHBondContact O-N 2.84Å; L391-T395 PolarHBondContact O-OG1 3.32Å; T395-E398 PolarHBondContact O-N 2.87Å; T395-Y399 WeakPolarHBondContact O-CB 3.19Å; T395-Y399 PolarHBondContact O-N 2.84Å
396V97.3Very high96.8Very high46 Ų4678 Ų7828%0.27939%0.387SS..Hα-helixtrans-64.2-42.7172.9167.40000110.8I380 V392 E398 Y399 D400I380-V396 HydrophobicContact CD1-CG2 3.81Å; I380-V396 HydrophobicContact CG1-CG2 4.16Å; I380-V396 HydrophobicContact CG2-CG2 4.42Å; V392-V396 HydrophobicContact CG1-CG2 4.25Å; V392-V396 WeakPolarHBondContact O-CB 3.34Å; V392-V396 WeakPolarHBondContact O-CG2 3.49Å; V392-V396 PolarHBondContact O-N 3.17Å; V396-E398 VanDerWaalsContact C-N 3.32Å; V396-E398 PolarHBondContact O-N 3.08Å; V396-Y399 WeakPolarHBondContact O-CB 3.47Å; V396-Y399 PolarHBondContact O-N 3.47Å; V396-D400 PolarHBondContact O-N 2.88Å
397Q95.3Very high96.9Very high111 Ų11172.1 Ų72.152%0.51936%0.355SS..Hα-helixtrans-61-41.2175.4-71.4173.5-17.300112R393 T394 D400 I401R393-Q397 WeakPolarHBondContact O-CG 3.38Å; R393-Q397 PolarHBondContact O-N 3Å; R393-Q397 VanDerWaalsContact O-N 3.17Å; T394-Q397 PolarHBondContact O-N 3.42Å; Q397-D400 PolarHBondContact O-N 3.12Å; Q397-I401 WeakPolarHBondContact O-CG1 3.26Å; Q397-I401 PolarHBondContact O-N 3.12Å; Q397-I401 VanDerWaalsContact O-N 3.15Å
398E97.4Very high97Very high107 Ų10766.7 Ų66.750%0.533%0.334SS..Hα-helixtrans-64.2-42.2174.3-168.9-178.2170.500111.6L376 T394 T395 V396 D400 I401 V402L376-E398 HydrophobicContact CD1-CB 4.39Å; L376-E398 HydrophobicContact CD1-CG 3.98Å; L376-E398 HydrophobicContact CD2-CB 4.33Å; L376-E398 HydrophobicContact CD2-CG 4.06Å; L376-E398 WeakPolarHBondContact CD2-OE2 3.49Å; T394-E398 PolarHBondContact O-N 3.41Å; T395-E398 PolarHBondContact O-N 2.87Å; V396-E398 VanDerWaalsContact C-N 3.32Å; V396-E398 PolarHBondContact O-N 3.08Å; E398-D400 VanDerWaalsContact C-N 3.34Å; E398-D400 PolarHBondContact O-N 3.43Å; E398-I401 PolarHBondContact O-N 3.34Å; E398-V402 WeakPolarHBondContact O-CG2 3.5Å; E398-V402 PolarHBondContact O-N 2.99Å
399Y98.2Very high97.1Very high37 Ų3763.5 Ų63.515%0.14532%0.317CS..Hα-helixtrans-58.3-45.7176179.8-82.5000111.5L373 L376 T377 T395 V396 I401 V402 L403L373-Y399 HydrophobicContact CB-CE2 4Å; L373-Y399 HydrophobicContact CD2-CD1 4.39Å; L373-Y399 HydrophobicContact CD2-CD2 3.65Å; L373-Y399 HydrophobicContact CD2-CE1 4.26Å; L373-Y399 HydrophobicContact CD2-CE2 3.5Å; L373-Y399 HydrophobicContact CD2-CG 4.09Å; L373-Y399 HydrophobicContact CG-CE2 4.34Å; L376-Y399 HydrophobicContact CB-CD2 4.09Å; T377-Y399 WeakPolarHBondContact OG1-CE2 3.35Å; T395-Y399 WeakPolarHBondContact O-CB 3.19Å; T395-Y399 PolarHBondContact O-N 2.84Å; V396-Y399 WeakPolarHBondContact O-CB 3.47Å; V396-Y399 PolarHBondContact O-N 3.47Å; Y399-I401 PolarHBondContact O-N 3.32Å; Y399-V402 PolarHBondContact O-N 3.24Å; Y399-L403 HydrophobicContact CE1-CB 4.47Å; Y399-L403 HydrophobicContact CE1-CD2 4.13Å; Y399-L403 WeakPolarHBondContact O-CB 3.32Å; Y399-L403 PolarHBondContact O-N 2.96Å
400D96.7Very high97.2Very high81 Ų8157.3 Ų57.343%0.43328%0.284SS..Hα-helixtrans-62.3-42.6179-67.5-21.8000111.2V396 Q397 E398 V402 L403 E404V396-D400 PolarHBondContact O-N 2.88Å; Q397-D400 PolarHBondContact O-N 3.12Å; E398-D400 VanDerWaalsContact C-N 3.34Å; E398-D400 PolarHBondContact O-N 3.43Å; D400-V402 PolarHBondContact O-N 2.99Å; D400-L403 PolarHBondContact O-N 3.25Å; D400-E404 WeakPolarHBondContact O-CG 3.34Å; D400-E404 PolarHBondContact O-N 3.34Å
401I96.2Very high97.3Very high94 Ų9452.5 Ų52.548%0.48226%0.262SS..Hα-helixtrans-61.1-46.1176-67.5165000111.3Q397 E398 Y399 L403 E404 N405Q397-I401 WeakPolarHBondContact O-CG1 3.26Å; Q397-I401 PolarHBondContact O-N 3.12Å; Q397-I401 VanDerWaalsContact O-N 3.15Å; E398-I401 PolarHBondContact O-N 3.34Å; Y399-I401 PolarHBondContact O-N 3.32Å; I401-L403 VanDerWaalsContact C-N 3.31Å; I401-L403 PolarHBondContact O-N 3.36Å; I401-E404 PolarHBondContact O-N 2.92Å; I401-N405 PolarHBondContact O-N 3.49Å; I401-N405 VanDerWaalsContact O-N 3.1Å; I401-N405 PolarHBondContact O-ND2 3.05Å
402V98Very high97.4Very high13 Ų1350.8 Ų50.88%0.07925%0.253CS..Hα-helixtrans-64.8-38.4178.7177.30000110.9H369 Q372 L373 L376 E398 Y399 D400 N405 Y406H369-V402 HydrophobicContact CB-CG1 4.4Å; Q372-V402 HydrophobicContact CB-CG1 3.99Å; L373-V402 HydrophobicContact CD2-CB 3.95Å; L373-V402 HydrophobicContact CD2-CG1 3.77Å; L373-V402 HydrophobicContact CG-CB 4.5Å; L373-V402 HydrophobicContact CG-CG1 3.77Å; L376-V402 HydrophobicContact CD1-CB 4.46Å; L376-V402 HydrophobicContact CD1-CG2 3.99Å; E398-V402 WeakPolarHBondContact O-CG2 3.5Å; E398-V402 PolarHBondContact O-N 2.99Å; Y399-V402 PolarHBondContact O-N 3.24Å; D400-V402 PolarHBondContact O-N 2.99Å; V402-N405 PolarHBondContact O-N 2.78Å; V402-Y406 WeakPolarHBondContact O-CB 3.45Å; V402-Y406 PolarHBondContact O-N 3.27Å
403L98.2Very high97.4Very high17 Ų1750 Ų509%0.08925%0.248CC..Hα-helixtrans-64.4-46.1177.4-179.761.3000111.4L373 Y399 D400 I401 N405 Y406 I407 F436L373-L403 HydrophobicContact CD1-CD1 4.44Å; L373-L403 HydrophobicContact CD2-CB 4.17Å; Y399-L403 HydrophobicContact CE1-CB 4.47Å; Y399-L403 HydrophobicContact CE1-CD2 4.13Å; Y399-L403 WeakPolarHBondContact O-CB 3.32Å; Y399-L403 PolarHBondContact O-N 2.96Å; D400-L403 PolarHBondContact O-N 3.25Å; I401-L403 VanDerWaalsContact C-N 3.31Å; I401-L403 PolarHBondContact O-N 3.36Å; L403-N405 VanDerWaalsContact C-N 3.27Å; L403-N405 PolarHBondContact O-N 3.12Å; L403-Y406 HydrophobicContact CD1-CD1 4.39Å; L403-Y406 WeakPolarHBondContact O-CB 3.16Å; L403-Y406 PolarHBondContact O-N 3.09Å; L403-I407 HydrophobicContact CD1-CG1 4.46Å; L403-I407 WeakPolarHBondContact O-CG1 3.39Å; L403-I407 PolarHBondContact O-N 3.1Å; L403-F436 HydrophobicContact CD1-CB 4.34Å
404E97.1Very high97.5Very high104 Ų10443.4 Ų43.449%0.48622%0.224SC..Hα-helixtrans-62.6-33.3177.5-69.4-62.2149.100112.2D400 I401 P408 H440D400-E404 WeakPolarHBondContact O-CG 3.34Å; D400-E404 PolarHBondContact O-N 3.34Å; I401-E404 PolarHBondContact O-N 2.92Å; E404-P408 WeakPolarHBondContact O-CD 3.44Å; E404-H440 IonicContact OE1-CD2 2.72Å; E404-H440 IonicContact OE1-NE2 2.61Å; E404-H440 PolarHBondContact OE1-NE2 3.02Å; E404-H440 IonicContact OE2-NE2 3.34Å
405N96.8Very high97.6Very high93 Ų9343 Ų4350%0.49722%0.217SC..Hα-helixtrans-72.8-31.2172.5-70.7-27000113.1I401 V402 L403I401-N405 PolarHBondContact O-N 3.49Å; I401-N405 VanDerWaalsContact O-N 3.1Å; I401-N405 PolarHBondContact O-ND2 3.05Å; V402-N405 PolarHBondContact O-N 2.78Å; L403-N405 VanDerWaalsContact C-N 3.27Å; L403-N405 PolarHBondContact O-N 3.12Å
406Y98.3Very high97.6Very high12 Ų1243.1 Ų43.15%0.04722%0.217CC..Hα-helixtrans-73.3-36.3179175.7-132.3000112.8A366 H369 T370 L373 V402 L403 V409 L410A366-Y406 HydrophobicContact CB-CD2 4.48Å; A366-Y406 HydrophobicContact CB-CE2 3.74Å; H369-Y406 HydrophobicContact CB-CD2 3.91Å; H369-Y406 HydrophobicContact CB-CG 4.06Å; T370-Y406 HydrophobicContact CG2-CE1 4.05Å; T370-Y406 HydrophobicContact CG2-CE2 4.13Å; L373-Y406 HydrophobicContact CD1-CD1 4.05Å; V402-Y406 WeakPolarHBondContact O-CB 3.45Å; V402-Y406 PolarHBondContact O-N 3.27Å; L403-Y406 HydrophobicContact CD1-CD1 4.39Å; L403-Y406 WeakPolarHBondContact O-CB 3.16Å; L403-Y406 PolarHBondContact O-N 3.09Å; Y406-V409 WeakPolarHBondContact O-CB 3.22Å; Y406-V409 PolarHBondContact O-N 2.96Å; Y406-V409 VanDerWaalsContact O-N 3.16Å; Y406-L410 HydrophobicContact CE1-CD2 4.32Å; Y406-L410 HydrophobicContact CE2-CB 4.16Å; Y406-L410 PolarHBondContact O-N 3.16Å
407I98.3Very high97.7Very high5 Ų542.6 Ų42.63%0.02621%0.211CC..Hα-helixtrans-55.6-50.3-175.7-72.2-71.4000112.3L403 V409 L410 M411 C437 H440 I442 W443L403-I407 HydrophobicContact CD1-CG1 4.46Å; L403-I407 WeakPolarHBondContact O-CG1 3.39Å; L403-I407 PolarHBondContact O-N 3.1Å; I407-V409 VanDerWaalsContact C-N 3.34Å; I407-V409 PolarHBondContact O-N 3.46Å; I407-L410 WeakPolarHBondContact O-CB 3.5Å; I407-L410 PolarHBondContact O-N 3.43Å; I407-M411 HydrophobicContact CD1-CE 4.21Å; I407-M411 HydrophobicContact CG2-CE 3.99Å; I407-M411 HydrophobicContact CG2-CG 4.25Å; I407-M411 VanDerWaalsContact O-CG 3.29Å; I407-M411 WeakPolarHBondContact O-CG 3.47Å; I407-M411 PolarHBondContact O-N 3.25Å; I407-C437 HydrophobicContact CD1-CB 4.28Å; I407-H440 HydrophobicContact CD1-CB 4.19Å; I407-I442 HydrophobicContact CG2-CB 4.4Å; I407-I442 HydrophobicContact CG2-CD1 4.48Å; I407-I442 HydrophobicContact CG2-CG2 4.27Å; I407-W443 HydrophobicContact CD1-CB 4.36Å
408P97.8Very high97.8Very high53 Ų5341.4 Ų41.434%0.34420%0.201SC..Hα-helixtrans-57-42.4176.2-27.534.9000113.7F344 E404 L410 M411 Q412F344-P408 HydrophobicContact CE1-CB 4.5Å; F344-P408 HydrophobicContact CE2-CB 4.01Å; F344-P408 HydrophobicContact CZ-CB 3.72Å; E404-P408 WeakPolarHBondContact O-CD 3.44Å; P408-L410 PolarHBondContact O-N 2.92Å; P408-M411 PolarHBondContact O-N 3.42Å; P408-Q412 VanDerWaalsContact O-CG 3.29Å; P408-Q412 WeakPolarHBondContact O-CG 3.48Å; P408-Q412 PolarHBondContact O-N 3.31Å
409V98.3Very high97.7Very high2 Ų240.1 Ų40.11%0.01220%0.198CC..Hα-helixtrans-59.2-49.4176.8178.10000110.3F344 L362 M365 A366 Y406 I407 M411 Q412 Q413F344-V409 HydrophobicContact CD2-CG2 4Å; F344-V409 HydrophobicContact CE2-CG2 4.26Å; L362-V409 HydrophobicContact CB-CG1 4.19Å; L362-V409 HydrophobicContact CD2-CG1 4.11Å; L362-V409 VanDerWaalsContact O-CG1 3.26Å; L362-V409 WeakPolarHBondContact O-CG1 3.47Å; M365-V409 HydrophobicContact CB-CG1 3.92Å; M365-V409 HydrophobicContact CB-CG2 4.24Å; M365-V409 HydrophobicContact CE-CG2 4.02Å; A366-V409 HydrophobicContact CB-CG1 4.2Å; Y406-V409 WeakPolarHBondContact O-CB 3.22Å; Y406-V409 PolarHBondContact O-N 2.96Å; Y406-V409 VanDerWaalsContact O-N 3.16Å; I407-V409 VanDerWaalsContact C-N 3.34Å; I407-V409 PolarHBondContact O-N 3.46Å; V409-M411 VanDerWaalsContact C-N 3.35Å; V409-M411 PolarHBondContact O-N 3.27Å; V409-Q412 PolarHBondContact O-N 3.07Å; V409-Q413 WeakPolarHBondContact O-CG 3.39Å; V409-Q413 PolarHBondContact O-N 3.2Å
410L98.5Very high97.6Very high1 Ų144 Ų441%0.00522%0.219CC..Hα-helixtrans-60.1-43177.9178.365.2000112.1Y406 I407 P408 Q412 Q413 A414 I429 F430 S433Y406-L410 HydrophobicContact CE1-CD2 4.32Å; Y406-L410 HydrophobicContact CE2-CB 4.16Å; Y406-L410 PolarHBondContact O-N 3.16Å; I407-L410 WeakPolarHBondContact O-CB 3.5Å; I407-L410 PolarHBondContact O-N 3.43Å; P408-L410 PolarHBondContact O-N 2.92Å; L410-Q412 VanDerWaalsContact C-N 3.31Å; L410-Q412 PolarHBondContact O-N 2.82Å; L410-Q413 PolarHBondContact O-N 3.05Å; L410-A414 WeakPolarHBondContact O-CB 3.35Å; L410-A414 PolarHBondContact O-N 3.36Å; L410-I429 HydrophobicContact CD1-CG2 3.41Å; L410-I429 VanDerWaalsContact CD1-CG2 3.41Å; L410-F430 HydrophobicContact CD2-CD1 4.26Å; L410-F430 HydrophobicContact CD2-CE1 4.33Å; L410-F430 HydrophobicContact CG-CD1 4.38Å; L410-F430 HydrophobicContact CG-CE1 4.21Å; L410-S433 WeakPolarHBondContact CD2-OG 3.35Å
411M98.3Very high97.6Very high30 Ų3047.2 Ų47.215%0.14823%0.231CC..Hα-helixtrans-66-34.9178.5-63.2-46.9140.600111.7I407 P408 V409 A414 K415 F430 I442 W443 N446I407-M411 HydrophobicContact CD1-CE 4.21Å; I407-M411 HydrophobicContact CG2-CE 3.99Å; I407-M411 HydrophobicContact CG2-CG 4.25Å; I407-M411 VanDerWaalsContact O-CG 3.29Å; I407-M411 WeakPolarHBondContact O-CG 3.47Å; I407-M411 PolarHBondContact O-N 3.25Å; P408-M411 PolarHBondContact O-N 3.42Å; V409-M411 VanDerWaalsContact C-N 3.35Å; V409-M411 PolarHBondContact O-N 3.27Å; M411-A414 PolarHBondContact O-N 3.16Å; M411-K415 WeakPolarHBondContact O-CB 3.42Å; M411-K415 PolarHBondContact O-N 3.28Å; M411-F430 HydrophobicContact CE-CE1 3.98Å; M411-F430 HydrophobicContact SD-CE1 3.91Å; M411-F430 HydrophobicContact SD-CZ 4.02Å; M411-I442 HydrophobicContact CE-CG2 4.17Å; M411-I442 HydrophobicContact CG-CG2 4.3Å; M411-I442 HydrophobicContact SD-CG2 4.3Å; M411-W443 HydrophobicContact CE-CB 4.27Å; M411-N446 HydrophobicContact SD-CB 4.14Å
412Q97.9Very high97.7Very high30 Ų3045.5 Ų45.514%0.1422%0.223CC..Hα-helixtrans-73-36.1175.9-65.6-64.6-10.300112.4F344 V348 L362 P408 V409 L410 A414 K415 I416F344-Q412 HydrophobicContact CE2-CG 3.88Å; F344-Q412 HydrophobicContact CZ-CG 3.89Å; V348-Q412 HydrophobicContact CG2-CB 4.29Å; V348-Q412 HydrophobicContact CG2-CG 3.67Å; L362-Q412 HydrophobicContact CD1-CB 3.78Å; L362-Q412 HydrophobicContact CD2-CB 4.18Å; P408-Q412 VanDerWaalsContact O-CG 3.29Å; P408-Q412 WeakPolarHBondContact O-CG 3.48Å; P408-Q412 PolarHBondContact O-N 3.31Å; V409-Q412 PolarHBondContact O-N 3.07Å; L410-Q412 VanDerWaalsContact C-N 3.31Å; L410-Q412 PolarHBondContact O-N 2.82Å; Q412-A414 VanDerWaalsContact C-N 3.31Å; Q412-A414 PolarHBondContact O-N 2.67Å; Q412-K415 PolarHBondContact O-N 2.95Å; Q412-I416 WeakPolarHBondContact O-CG1 3.49Å; Q412-I416 PolarHBondContact O-N 3.24Å
413Q98.3Very high97.7Very high5 Ų546.8 Ų46.82%0.02323%0.227CC..Hα-helixtrans-59.4-44169.1-69.4-174.5-61.200111.4Y359 L362 D363 V409 L410 I429Y359-Q413 HydrophobicContact CD2-CB 4.36Å; Y359-Q413 HydrophobicContact CD2-CG 4.49Å; Y359-Q413 HydrophobicContact CE2-CB 3.95Å; Y359-Q413 HydrophobicContact CE2-CG 4.22Å; L362-Q413 HydrophobicContact CB-CG 3.58Å; L362-Q413 HydrophobicContact CD1-CG 4.28Å; D363-Q413 VanDerWaalsContact CA-NE2 3.27Å; D363-Q413 PolarHBondContact OD1-NE2 3.06Å; V409-Q413 WeakPolarHBondContact O-CG 3.39Å; V409-Q413 PolarHBondContact O-N 3.2Å; L410-Q413 PolarHBondContact O-N 3.05Å; Q413-I429 HydrophobicContact CB-CD1 4.4Å; Q413-I429 HydrophobicContact CB-CG2 4.47Å
414A98.5Very high97.7Very high5 Ų552.7 Ų52.74%0.04125%0.254CS..Hα-helixtrans-64.6-44.2176.900000112.1L410 M411 Q412 I416 Y417 W418 V426 F430L410-A414 WeakPolarHBondContact O-CB 3.35Å; L410-A414 PolarHBondContact O-N 3.36Å; M411-A414 PolarHBondContact O-N 3.16Å; Q412-A414 VanDerWaalsContact C-N 3.31Å; Q412-A414 PolarHBondContact O-N 2.67Å; A414-I416 VanDerWaalsContact C-N 3.27Å; A414-I416 PolarHBondContact O-N 2.83Å; A414-Y417 PolarHBondContact O-N 2.85Å; A414-W418 WeakPolarHBondContact O-CB 3.35Å; A414-W418 PolarHBondContact O-N 3.03Å; A414-V426 HydrophobicContact CB-CG1 3.69Å; A414-F430 HydrophobicContact CB-CE1 4.19Å; A414-F430 HydrophobicContact CB-CE2 4.42Å; A414-F430 HydrophobicContact CB-CZ 3.8Å
415K97.4Very high97.7Very high51 Ų5150.7 Ų50.722%0.22225%0.245CC..Hα-helixtrans-58.9-36.4-178.7-175.5166.7169.167.20112.4E317 M411 Q412 Y417 W418 D419E317-K415 WeakPolarHBondContact OE1-CE 3.37Å; E317-K415 IonicContact OE1-NZ 3.61Å; E317-K415 PolarHBondContact OE1-NZ 3.1Å; M411-K415 WeakPolarHBondContact O-CB 3.42Å; M411-K415 PolarHBondContact O-N 3.28Å; Q412-K415 PolarHBondContact O-N 2.95Å; K415-Y417 PolarHBondContact O-N 3.43Å; K415-W418 WeakPolarHBondContact O-CB 3.35Å; K415-W418 PolarHBondContact O-N 3.45Å; K415-D419 IonicContact NZ-OD1 3.67Å; K415-D419 IonicContact NZ-OD2 3.05Å; K415-D419 WeakPolarHBondContact O-CB 3.32Å; K415-D419 VanDerWaalsContact O-CG 3.29Å; K415-D419 PolarHBondContact O-N 3.43Å
416I97.6Very high97.8Very high8 Ų846.4 Ų46.44%0.04122%0.221CC..Hα-helixtrans-54.2-53.1175.6-69.1167.4000111.4R351 P355 A358 Y359 L362 Q412 A414 M420R351-I416 VanDerWaalsContact CD-CG1 3.46Å; R351-I416 HydrophobicContact CG-CD1 4.27Å; R351-I416 HydrophobicContact CG-CG1 3.68Å; P355-I416 HydrophobicContact CB-CG2 4.08Å; A358-I416 HydrophobicContact CB-CD1 4.32Å; Y359-I416 HydrophobicContact CD2-CD1 4.16Å; L362-I416 HydrophobicContact CD1-CD1 3.96Å; Q412-I416 WeakPolarHBondContact O-CG1 3.49Å; Q412-I416 PolarHBondContact O-N 3.24Å; A414-I416 VanDerWaalsContact C-N 3.27Å; A414-I416 PolarHBondContact O-N 2.83Å; I416-M420 HydrophobicContact CG2-SD 4.34Å; I416-M420 VanDerWaalsContact O-CG 3.27Å; I416-M420 WeakPolarHBondContact O-CG 3.29Å; I416-M420 PolarHBondContact O-N 3.19Å
417Y98.2Very high97.8Very high36 Ų3646.8 Ų46.814%0.14122%0.224CC..Hα-helixtrans-77.6-25.2-179.8-72.2-73.1000113.1Y359 A414 K415 M420 E421 N422 Q425 I429Y359-Y417 HydrophobicContact CD2-CD2 4.4Å; Y359-Y417 AromaticContact CD2-CE2 3.75Å; Y359-Y417 HydrophobicContact CD2-CE2 3.75Å; Y359-Y417 HydrophobicContact CE2-CD2 4.15Å; Y359-Y417 AromaticContact CE2-CE2 3.49Å; Y359-Y417 HydrophobicContact CE2-CE2 3.49Å; Y359-Y417 VanDerWaalsContact CE2-CE2 3.49Å; A414-Y417 PolarHBondContact O-N 2.85Å; K415-Y417 PolarHBondContact O-N 3.43Å; Y417-M420 HydrophobicContact CD1-SD 4.23Å; Y417-M420 CarbonylContact O-C 3.43Å; Y417-M420 PolarHBondContact O-N 3.47Å; Y417-E421 PolarHBondContact O-N 3.3Å; Y417-N422 HydrophobicContact CD1-CB 4.21Å; Y417-N422 PolarHBondContact O-N 3.48Å; Y417-Q425 HydrophobicContact CD1-CB 3.68Å; Y417-Q425 HydrophobicContact CD1-CG 4.04Å; Y417-Q425 HydrophobicContact CD2-CB 4.09Å; Y417-Q425 HydrophobicContact CE1-CB 4.07Å; Y417-Q425 HydrophobicContact CE1-CG 4.06Å; Y417-Q425 HydrophobicContact CE2-CB 4.43Å; Y417-Q425 HydrophobicContact CG-CB 3.68Å; Y417-I429 HydrophobicContact CD2-CD1 3.57Å; Y417-I429 HydrophobicContact CE2-CD1 3.97Å
418W97.8Very high97.8Very high85 Ų8551.6 Ų51.632%0.32224%0.244SC..Hα-helixtrans-62.7-48.8172.4177.9-83.6000111.4A414 K415 M420 E421 Y423 V426 H449 V450 M453A414-W418 WeakPolarHBondContact O-CB 3.35Å; A414-W418 PolarHBondContact O-N 3.03Å; K415-W418 WeakPolarHBondContact O-CB 3.35Å; K415-W418 PolarHBondContact O-N 3.45Å; W418-M420 PolarHBondContact O-N 2.88Å; W418-E421 WeakPolarHBondContact O-CA 3.35Å; W418-E421 PolarHBondContact O-N 3.01Å; W418-Y423 HydrophobicContact CD2-CE1 4.09Å; W418-Y423 AromaticContact CE3-CD1 3.92Å; W418-Y423 HydrophobicContact CE3-CD1 3.92Å; W418-Y423 AromaticContact CE3-CE1 3.89Å; W418-Y423 HydrophobicContact CE3-CE1 3.89Å; W418-Y423 HydrophobicContact CH2-CE1 4.4Å; W418-Y423 HydrophobicContact CZ3-CD1 4.1Å; W418-Y423 HydrophobicContact CZ3-CE1 4.07Å; W418-V426 HydrophobicContact CB-CG2 4.22Å; W418-H449 HydrophobicContact CH2-CB 4.06Å; W418-H449 HydrophobicContact CZ3-CB 4.26Å; W418-V450 HydrophobicContact CE3-CG2 3.9Å; W418-V450 HydrophobicContact CZ3-CG2 3.76Å; W418-M453 HydrophobicContact CH2-CG 3.43Å; W418-M453 VanDerWaalsContact CH2-CG 3.43Å; W418-M453 HydrophobicContact CH2-SD 4.45Å; W418-M453 HydrophobicContact CZ2-CG 4.18Å; W418-M453 HydrophobicContact CZ3-CG 3.91Å
419D95.7Very high97.8Very high80 Ų8049.6 Ų49.643%0.42823%0.231SC..Hα-helixtrans-65.9-24.5178.3-65.9-9.6000111.2R351 K415 E421R351-D419 IonicContact CZ-OD2 3.73Å; R351-D419 IonicContact NH1-OD2 2.67Å; R351-D419 PolarHBondContact NH1-OD2 3.34Å; K415-D419 IonicContact NZ-OD1 3.67Å; K415-D419 IonicContact NZ-OD2 3.05Å; K415-D419 WeakPolarHBondContact O-CB 3.32Å; K415-D419 VanDerWaalsContact O-CG 3.29Å; K415-D419 PolarHBondContact O-N 3.43Å; D419-E421 VanDerWaalsContact C-N 3.28Å; D419-E421 PolarHBondContact O-N 3.47Å
420M96.2Very high97.8Very high120 Ų12049.7 Ų49.759%0.59123%0.231SC*.THydrogen-bonded Turntrans-83.56.3170.7-63.3174.375.500114.1I416 Y417 W418 N422I416-M420 HydrophobicContact CG2-SD 4.34Å; I416-M420 VanDerWaalsContact O-CG 3.27Å; I416-M420 WeakPolarHBondContact O-CG 3.29Å; I416-M420 PolarHBondContact O-N 3.19Å; Y417-M420 HydrophobicContact CD1-SD 4.23Å; Y417-M420 CarbonylContact O-C 3.43Å; Y417-M420 PolarHBondContact O-N 3.47Å; W418-M420 PolarHBondContact O-N 2.88Å; M420-N422 PolarHBondContact O-N 3.27Å
421E97.4Very high97.8Very high148 Ų14857.2 Ų57.269%0.69226%0.259SS*.THydrogen-bonded Turntrans56.119.9-175.3-56.2-176.8168.600114.3Y417 W418 D419 Y423Y417-E421 PolarHBondContact O-N 3.3Å; W418-E421 WeakPolarHBondContact O-CA 3.35Å; W418-E421 PolarHBondContact O-N 3.01Å; D419-E421 VanDerWaalsContact C-N 3.28Å; D419-E421 PolarHBondContact O-N 3.47Å; E421-Y423 HydrophobicContact CB-CE2 4.36Å; E421-Y423 WeakPolarHBondContact O-CD2 3.37Å; E421-Y423 PolarHBondContact O-N 3.48Å
422N97.7Very high97.7Very high57 Ų5762.5 Ų62.531%0.30528%0.281SS..  trans-94.265.5-178.2-167.4-16.7000111.6Y417 M420 Q424 Q425 V426Y417-N422 HydrophobicContact CD1-CB 4.21Å; Y417-N422 PolarHBondContact O-N 3.48Å; M420-N422 PolarHBondContact O-N 3.27Å; N422-Q424 PolarHBondContact O-N 3.38Å; N422-Q424 VanDerWaalsContact O-N 3.11Å; N422-Q425 WeakPolarHBondContact ND2-CG 3.5Å; N422-Q425 PolarHBondContact O-N 3.28Å; N422-Q425 WeakPolarHBondContact OD1-CG 3.5Å; N422-Q425 PolarHBondContact OD1-N 2.84Å; N422-V426 PolarHBondContact O-N 3.45Å
423Y98.1Very high97.6Very high41 Ų4161 Ų6116%0.16128%0.275CS..Hα-helixtrans-59.8-25.5-175.3-51.6-60.4000114W418 E421 V426 E427 V450 M453W418-Y423 HydrophobicContact CD2-CE1 4.09Å; W418-Y423 AromaticContact CE3-CD1 3.92Å; W418-Y423 HydrophobicContact CE3-CD1 3.92Å; W418-Y423 AromaticContact CE3-CE1 3.89Å; W418-Y423 HydrophobicContact CE3-CE1 3.89Å; W418-Y423 HydrophobicContact CH2-CE1 4.4Å; W418-Y423 HydrophobicContact CZ3-CD1 4.1Å; W418-Y423 HydrophobicContact CZ3-CE1 4.07Å; E421-Y423 HydrophobicContact CB-CE2 4.36Å; E421-Y423 WeakPolarHBondContact O-CD2 3.37Å; E421-Y423 PolarHBondContact O-N 3.48Å; Y423-V426 PolarHBondContact O-N 3.25Å; Y423-E427 WeakPolarHBondContact O-CB 3.46Å; Y423-E427 PolarHBondContact O-N 2.93Å; Y423-V450 WeakPolarHBondContact O-CG1 3.44Å; Y423-M453 HydrophobicContact CD1-CB 3.86Å; Y423-M453 HydrophobicContact CD1-CG 4.34Å; Y423-M453 HydrophobicContact CD2-CB 3.95Å; Y423-M453 HydrophobicContact CE1-CB 3.87Å; Y423-M453 HydrophobicContact CE1-CE 4.4Å; Y423-M453 HydrophobicContact CE1-CG 3.99Å; Y423-M453 HydrophobicContact CE2-CB 3.94Å; Y423-M453 HydrophobicContact CE2-CE 4.21Å; Y423-M453 HydrophobicContact CG-CB 3.91Å; Y423-M453 VanDerWaalsContact OH-CE 3.29Å; Y423-M453 WeakPolarHBondContact OH-CE 3.31Å
424Q97.6Very high97.6Very high141 Ų14163.8 Ų63.866%0.65929%0.291SS*.Hα-helixtrans-65.7-39.6175.3-65.4-177.24.100112.2N422 K428N422-Q424 PolarHBondContact O-N 3.38Å; N422-Q424 VanDerWaalsContact O-N 3.11Å; Q424-K428 PolarHBondContact O-N 3.19Å; Q424-K428 VanDerWaalsContact O-N 3.08Å
425Q97.8Very high97.4Very high62 Ų6269.1 Ų69.129%0.2932%0.316SS..Hα-helixtrans-71.4-38174.8-69.4-56-34.500111.5Y417 N422 E427 K428 I429Y417-Q425 HydrophobicContact CD1-CB 3.68Å; Y417-Q425 HydrophobicContact CD1-CG 4.04Å; Y417-Q425 HydrophobicContact CD2-CB 4.09Å; Y417-Q425 HydrophobicContact CE1-CB 4.07Å; Y417-Q425 HydrophobicContact CE1-CG 4.06Å; Y417-Q425 HydrophobicContact CE2-CB 4.43Å; Y417-Q425 HydrophobicContact CG-CB 3.68Å; N422-Q425 WeakPolarHBondContact ND2-CG 3.5Å; N422-Q425 PolarHBondContact O-N 3.28Å; N422-Q425 WeakPolarHBondContact OD1-CG 3.5Å; N422-Q425 PolarHBondContact OD1-N 2.84Å; Q425-E427 VanDerWaalsContact C-N 3.31Å; Q425-E427 PolarHBondContact O-N 3.3Å; Q425-K428 WeakPolarHBondContact O-CB 3.36Å; Q425-K428 PolarHBondContact O-N 3.15Å; Q425-K428 VanDerWaalsContact O-N 3.13Å; Q425-I429 WeakPolarHBondContact O-CG1 3.42Å; Q425-I429 PolarHBondContact O-N 3.45Å
426V98.3Very high97.3Very high2 Ų267.4 Ų67.41%0.01231%0.308CS..Hα-helixtrans-59-45.4174.8-166.80000110.8A414 W418 N422 Y423 K428 I429 F430 V450A414-V426 HydrophobicContact CB-CG1 3.69Å; W418-V426 HydrophobicContact CB-CG2 4.22Å; N422-V426 PolarHBondContact O-N 3.45Å; Y423-V426 PolarHBondContact O-N 3.25Å; V426-K428 VanDerWaalsContact C-N 3.33Å; V426-K428 PolarHBondContact O-N 2.93Å; V426-I429 WeakPolarHBondContact O-CB 3.39Å; V426-I429 PolarHBondContact O-N 3.17Å; V426-F430 HydrophobicContact CG1-CD2 4.14Å; V426-F430 HydrophobicContact CG1-CE2 3.75Å; V426-F430 HydrophobicContact CG1-CZ 4.39Å; V426-F430 PolarHBondContact O-N 3.42Å; V426-V450 HydrophobicContact CB-CG1 4.11Å; V426-V450 HydrophobicContact CB-CG2 3.95Å; V426-V450 HydrophobicContact CG1-CG1 4.37Å; V426-V450 HydrophobicContact CG1-CG2 3.41Å; V426-V450 VanDerWaalsContact CG1-CG2 3.41Å
427E98.2Very high97.3Very high20 Ų2067 Ų679%0.09331%0.306CS..Hα-helixtrans-62.1-40175.5-176.6-176170.400112.2Y423 Q425 I429 F430 R431 V450 Q454 K457Y423-E427 WeakPolarHBondContact O-CB 3.46Å; Y423-E427 PolarHBondContact O-N 2.93Å; Q425-E427 VanDerWaalsContact C-N 3.31Å; Q425-E427 PolarHBondContact O-N 3.3Å; E427-I429 VanDerWaalsContact C-N 3.3Å; E427-I429 PolarHBondContact O-N 3.49Å; E427-F430 PolarHBondContact O-N 2.94Å; E427-R431 HydrophobicContact CG-CG 4.34Å; E427-R431 WeakPolarHBondContact O-CB 3.49Å; E427-R431 VanDerWaalsContact O-CG 3.32Å; E427-R431 WeakPolarHBondContact O-CG 3.5Å; E427-R431 PolarHBondContact O-N 2.71Å; E427-R431 IonicContact OE1-CZ 3.01Å; E427-R431 VanDerWaalsContact OE1-CZ 3.24Å; E427-R431 IonicContact OE1-NE 3.18Å; E427-R431 PolarHBondContact OE1-NE 3.01Å; E427-R431 VanDerWaalsContact OE1-NE 3.07Å; E427-R431 IonicContact OE1-NH2 3.74Å; E427-R431 PolarHBondContact OE1-NH2 3.47Å; E427-V450 HydrophobicContact CB-CG1 3.94Å; E427-Q454 PolarHBondContact OE2-NE2 3.33Å; E427-Q454 PolarHBondContact OE2-OE1 3.08Å; E427-K457 IonicContact OE1-NZ 3.52Å; E427-K457 PolarHBondContact OE1-NZ 2.86Å; E427-K457 IonicContact OE2-NZ 2.97Å; E427-K457 PolarHBondContact OE2-NZ 3.45Å
428K98.1Very high97.2Very high106 Ų10669 Ų6946%0.46132%0.319SS..Hα-helixtrans-61.5-39.4176-173.3-175.8179.9-176.20111.6Q424 Q425 V426 K432Q424-K428 PolarHBondContact O-N 3.19Å; Q424-K428 VanDerWaalsContact O-N 3.08Å; Q425-K428 WeakPolarHBondContact O-CB 3.36Å; Q425-K428 PolarHBondContact O-N 3.15Å; Q425-K428 VanDerWaalsContact O-N 3.13Å; V426-K428 VanDerWaalsContact C-N 3.33Å; V426-K428 PolarHBondContact O-N 2.93Å; K428-K432 WeakPolarHBondContact O-CG 3.34Å; K428-K432 PolarHBondContact O-N 3.26Å
429I98Very high97Very high11 Ų1171.4 Ų71.46%0.05634%0.338CS..Hα-helixtrans-60.6-51.1173.8-70.6166.4000109.6Y359 L410 Q413 Y417 Q425 V426 E427 R431 K432 S433Y359-I429 HydrophobicContact CE2-CD1 3.9Å; L410-I429 HydrophobicContact CD1-CG2 3.41Å; L410-I429 VanDerWaalsContact CD1-CG2 3.41Å; Q413-I429 HydrophobicContact CB-CD1 4.4Å; Q413-I429 HydrophobicContact CB-CG2 4.47Å; Y417-I429 HydrophobicContact CD2-CD1 3.57Å; Y417-I429 HydrophobicContact CE2-CD1 3.97Å; Q425-I429 WeakPolarHBondContact O-CG1 3.42Å; Q425-I429 PolarHBondContact O-N 3.45Å; V426-I429 WeakPolarHBondContact O-CB 3.39Å; V426-I429 PolarHBondContact O-N 3.17Å; E427-I429 VanDerWaalsContact C-N 3.3Å; E427-I429 PolarHBondContact O-N 3.49Å; I429-R431 PolarHBondContact O-N 3.07Å; I429-K432 WeakPolarHBondContact O-CB 3.4Å; I429-K432 PolarHBondContact O-N 3.43Å; I429-K432 VanDerWaalsContact O-N 3.14Å; I429-S433 PolarHBondContact O-N 3.12Å
430F98.4Very high97Very high5 Ų568.5 Ų68.52%0.02232%0.322CS..Hα-helixtrans-63.4-40.5179.3-70.8-42000113.4L410 M411 A414 V426 E427 K432 S433 V434 W443 N446 V447 V450L410-F430 HydrophobicContact CD2-CD1 4.26Å; L410-F430 HydrophobicContact CD2-CE1 4.33Å; L410-F430 HydrophobicContact CG-CD1 4.38Å; L410-F430 HydrophobicContact CG-CE1 4.21Å; M411-F430 HydrophobicContact CE-CE1 3.98Å; M411-F430 HydrophobicContact SD-CE1 3.91Å; M411-F430 HydrophobicContact SD-CZ 4.02Å; A414-F430 HydrophobicContact CB-CE1 4.19Å; A414-F430 HydrophobicContact CB-CE2 4.42Å; A414-F430 HydrophobicContact CB-CZ 3.8Å; V426-F430 HydrophobicContact CG1-CD2 4.14Å; V426-F430 HydrophobicContact CG1-CE2 3.75Å; V426-F430 HydrophobicContact CG1-CZ 4.39Å; V426-F430 PolarHBondContact O-N 3.42Å; E427-F430 PolarHBondContact O-N 2.94Å; F430-K432 VanDerWaalsContact C-N 3.26Å; F430-K432 PolarHBondContact O-N 2.99Å; F430-S433 WeakPolarHBondContact CA-OG 3.42Å; F430-S433 PolarHBondContact O-N 3.46Å; F430-S433 PolarHBondContact O-OG 2.92Å; F430-V434 PolarHBondContact O-N 2.94Å; F430-V434 VanDerWaalsContact O-N 3.1Å; F430-W443 HydrophobicContact CB-CZ2 4.14Å; F430-W443 AromaticContact CD1-CD1 3.69Å; F430-W443 AromaticContact CD1-NE1 3.46Å; F430-W443 WeakPolarHBondContact O-CZ2 3.47Å; F430-N446 HydrophobicContact CE1-CB 4.49Å; F430-N446 HydrophobicContact CE2-CB 3.95Å; F430-N446 HydrophobicContact CZ-CB 3.61Å; F430-V447 HydrophobicContact CB-CG2 3.72Å; F430-V447 HydrophobicContact CD1-CG2 4.33Å; F430-V447 HydrophobicContact CD2-CG2 3.68Å; F430-V447 HydrophobicContact CE2-CG2 4.36Å; F430-V447 HydrophobicContact CG-CG2 3.67Å; F430-V450 HydrophobicContact CD2-CG2 4.2Å; F430-V450 HydrophobicContact CE2-CG2 3.76Å
431R97.6Very high96.9Very high159 Ų15966.9 Ų66.960%0.632%0.323SS*.Hα-helixtrans-58-35.3174.4-75.6178.3-178.2-144.70.9112.8E427 I429 V434E427-R431 HydrophobicContact CG-CG 4.34Å; E427-R431 WeakPolarHBondContact O-CB 3.49Å; E427-R431 VanDerWaalsContact O-CG 3.32Å; E427-R431 WeakPolarHBondContact O-CG 3.5Å; E427-R431 PolarHBondContact O-N 2.71Å; E427-R431 IonicContact OE1-CZ 3.01Å; E427-R431 VanDerWaalsContact OE1-CZ 3.24Å; E427-R431 IonicContact OE1-NE 3.18Å; E427-R431 PolarHBondContact OE1-NE 3.01Å; E427-R431 VanDerWaalsContact OE1-NE 3.07Å; E427-R431 IonicContact OE1-NH2 3.74Å; E427-R431 PolarHBondContact OE1-NH2 3.47Å; I429-R431 PolarHBondContact O-N 3.07Å; R431-V434 WeakPolarHBondContact O-CG1 3.45Å
432K96.5Very high96.8Very high140 Ų14063.5 Ų63.561%0.60931%0.308SS*.Hα-helixtrans-70.7-32.7175.5-73.3177.6175.2-174.20112.7K428 I429 F430K428-K432 WeakPolarHBondContact O-CG 3.34Å; K428-K432 PolarHBondContact O-N 3.26Å; I429-K432 WeakPolarHBondContact O-CB 3.4Å; I429-K432 PolarHBondContact O-N 3.43Å; I429-K432 VanDerWaalsContact O-N 3.14Å; F430-K432 VanDerWaalsContact C-N 3.26Å; F430-K432 PolarHBondContact O-N 2.99Å
433S97.3Very high96.8Very high0 Ų061.1 Ų61.10%030%0.295CS..Hα-helixtrans-85.1-9.1-178.464.60000114.9L410 I429 F430 E435 F436 C437 W443L410-S433 WeakPolarHBondContact CD2-OG 3.35Å; I429-S433 PolarHBondContact O-N 3.12Å; F430-S433 WeakPolarHBondContact CA-OG 3.42Å; F430-S433 PolarHBondContact O-N 3.46Å; F430-S433 PolarHBondContact O-OG 2.92Å; S433-E435 PolarHBondContact O-N 3.15Å; S433-E435 VanDerWaalsContact O-N 3.1Å; S433-F436 PolarHBondContact O-N 2.94Å; S433-C437 PolarHBondContact O-N 3.12Å; S433-C437 VanDerWaalsContact O-N 3.09Å; S433-W443 PolarHBondContact OG-NE1 3.06Å
434V97Very high96.8Very high62 Ų6262.3 Ų62.338%0.37630%0.301SS..Hα-helixtrans-56.1-32.2-173.572.70000113.1F430 R431 F436 N438 W443F430-V434 PolarHBondContact O-N 2.94Å; F430-V434 VanDerWaalsContact O-N 3.1Å; R431-V434 WeakPolarHBondContact O-CG1 3.45Å; V434-F436 PolarHBondContact O-N 3.41Å; V434-F436 VanDerWaalsContact O-N 3.1Å; V434-N438 HydrophobicContact CG2-CB 3.97Å; V434-N438 VanDerWaalsContact O-CB 3.27Å; V434-N438 WeakPolarHBondContact O-CB 3.2Å; V434-N438 PolarHBondContact O-N 3.1Å; V434-W443 HydrophobicContact CB-CH2 4.29Å; V434-W443 HydrophobicContact CB-CZ2 4.07Å; V434-W443 HydrophobicContact CG2-CH2 3.82Å; V434-W443 HydrophobicContact CG2-CZ2 4.12Å
435E95.5Very high96.7Very high117 Ų11757.5 Ų57.555%0.54728%0.28SS..Hα-helixtrans-50.2-36.7177.5-175.2-175.7177.200112.2R374 S433R374-E435 IonicContact CZ-OE2 2.71Å; R374-E435 IonicContact NE-OE1 3.68Å; R374-E435 IonicContact NE-OE2 3.57Å; R374-E435 PolarHBondContact NE-OE2 3.17Å; R374-E435 IonicContact NH2-OE2 3.1Å; R374-E435 PolarHBondContact NH2-OE2 3.47Å; S433-E435 PolarHBondContact O-N 3.15Å; S433-E435 VanDerWaalsContact O-N 3.1Å
436F95.3Very high96.7Very high15 Ų1557 Ų577%0.06628%0.279CS..Hα-helixtrans-110-34.7-174.1-46.9-68.9000113.2T370 L373 R374 L403 S433 V434T370-F436 HydrophobicContact CG2-CD2 3.98Å; T370-F436 HydrophobicContact CG2-CE2 3.65Å; L373-F436 HydrophobicContact CB-CD1 3.8Å; L373-F436 HydrophobicContact CB-CE1 3.91Å; L373-F436 HydrophobicContact CB-CG 4.41Å; L373-F436 HydrophobicContact CD1-CB 4.03Å; L373-F436 HydrophobicContact CD1-CD1 4.14Å; L373-F436 HydrophobicContact CD1-CD2 4.37Å; L373-F436 HydrophobicContact CD1-CG 3.91Å; R374-F436 HydrophobicContact CG-CE1 3.8Å; R374-F436 HydrophobicContact CG-CZ 3.67Å; L403-F436 HydrophobicContact CD1-CB 4.34Å; S433-F436 PolarHBondContact O-N 2.94Å; V434-F436 PolarHBondContact O-N 3.41Å; V434-F436 VanDerWaalsContact O-N 3.1Å
437C97.5Very high96.7Very high0 Ų057.6 Ų57.60%028%0.283CS..Hα-helixtrans-100.7-1.1-165.9-56.20000114I407 S433 D439 H440 W443I407-C437 HydrophobicContact CD1-CB 4.28Å; S433-C437 PolarHBondContact O-N 3.12Å; S433-C437 VanDerWaalsContact O-N 3.09Å; C437-D439 PolarHBondContact O-N 3.09Å; C437-H440 WeakPolarHBondContact O-CB 3.17Å; C437-H440 PolarHBondContact O-N 2.87Å; C437-W443 HydrophobicContact CB-CB 3.95Å; C437-W443 HydrophobicContact CB-CD2 3.95Å; C437-W443 HydrophobicContact CB-CG 3.48Å; C437-W443 VanDerWaalsContact CB-CG 3.48Å
438N94.8Very high96.7Very high78 Ų7856.6 Ų56.642%0.41728%0.278SS..THydrogen-bonded Turntrans-58.6-21.9-171.8-175.446.5000114.1V434 K444V434-N438 HydrophobicContact CG2-CB 3.97Å; V434-N438 VanDerWaalsContact O-CB 3.27Å; V434-N438 WeakPolarHBondContact O-CB 3.2Å; V434-N438 PolarHBondContact O-N 3.1Å; N438-K444 WeakPolarHBondContact O-CE 3.31Å; N438-K444 PolarHBondContact O-NZ 3.1Å
439D93.5Very high96.6Very high135 Ų13553.1 Ų53.172%0.72226%0.263SS*.THydrogen-bonded Turntrans-99.9-7175.5-73.6-43.9000114.8C437 K444C437-D439 PolarHBondContact O-N 3.09Å; D439-K444 IonicContact OD1-NZ 3.08Å; D439-K444 PolarHBondContact OD1-NZ 3.37Å
440H96.7Very high96.6Very high20 Ų2052.8 Ų52.89%0.09326%0.262CS..  trans-76.3130.2-176.6-166.3-83.1000111.9E404 I407 C437 I442 W443 K444E404-H440 IonicContact OE1-CD2 2.72Å; E404-H440 IonicContact OE1-NE2 2.61Å; E404-H440 PolarHBondContact OE1-NE2 3.02Å; E404-H440 IonicContact OE2-NE2 3.34Å; I407-H440 HydrophobicContact CD1-CB 4.19Å; C437-H440 WeakPolarHBondContact O-CB 3.17Å; C437-H440 PolarHBondContact O-N 2.87Å; H440-I442 PolarHBondContact ND1-N 3.1Å; H440-W443 HydrophobicContact CB-CB 4.06Å; H440-W443 PolarHBondContact O-N 3.24Å; H440-K444 WeakPolarHBondContact O-CG 3.3Å; H440-K444 PolarHBondContact O-N 3.19Å
441S93.7Very high96.6Very high85 Ų8552.9 Ų52.959%0.59426%0.263SS*.Hα-helixtrans-64.5-46-172.757.40000113.4W443 K444 L445S441-W443 VanDerWaalsContact C-N 3.25Å; S441-W443 PolarHBondContact O-N 3.16Å; S441-K444 PolarHBondContact O-N 3.38Å; S441-L445 WeakPolarHBondContact O-CB 3.14Å; S441-L445 PolarHBondContact O-N 3.13Å
442I95.7Very high96.5Very high77 Ų7746.9 Ų46.940%0.39524%0.24SC..Hα-helixtrans-61.9-37.5178.1-59.1-179.3000110.5I407 M411 H440 N446I407-I442 HydrophobicContact CG2-CB 4.4Å; I407-I442 HydrophobicContact CG2-CD1 4.48Å; I407-I442 HydrophobicContact CG2-CG2 4.27Å; M411-I442 HydrophobicContact CE-CG2 4.17Å; M411-I442 HydrophobicContact CG-CG2 4.3Å; M411-I442 HydrophobicContact SD-CG2 4.3Å; H440-I442 PolarHBondContact ND1-N 3.1Å; I442-N446 WeakPolarHBondContact CG2-ND2 3.33Å; I442-N446 PolarHBondContact O-N 2.91Å; I442-N446 PolarHBondContact O-ND2 3.28Å
443W97.9Very high96.5Very high8 Ų843.7 Ų43.73%0.0323%0.228CC..Hα-helixtrans-68-49.7179.2-178.593.4000110.9I407 M411 F430 S433 V434 C437 H440 S441 L445 N446 V447 F464I407-W443 HydrophobicContact CD1-CB 4.36Å; M411-W443 HydrophobicContact CE-CB 4.27Å; F430-W443 HydrophobicContact CB-CZ2 4.14Å; F430-W443 AromaticContact CD1-CD1 3.69Å; F430-W443 AromaticContact CD1-NE1 3.46Å; F430-W443 WeakPolarHBondContact O-CZ2 3.47Å; S433-W443 PolarHBondContact OG-NE1 3.06Å; V434-W443 HydrophobicContact CB-CH2 4.29Å; V434-W443 HydrophobicContact CB-CZ2 4.07Å; V434-W443 HydrophobicContact CG2-CH2 3.82Å; V434-W443 HydrophobicContact CG2-CZ2 4.12Å; C437-W443 HydrophobicContact CB-CB 3.95Å; C437-W443 HydrophobicContact CB-CD2 3.95Å; C437-W443 HydrophobicContact CB-CG 3.48Å; C437-W443 VanDerWaalsContact CB-CG 3.48Å; H440-W443 HydrophobicContact CB-CB 4.06Å; H440-W443 PolarHBondContact O-N 3.24Å; S441-W443 VanDerWaalsContact C-N 3.25Å; S441-W443 PolarHBondContact O-N 3.16Å; W443-L445 VanDerWaalsContact C-N 3.28Å; W443-L445 PolarHBondContact O-N 3.34Å; W443-N446 PolarHBondContact O-N 3.28Å; W443-V447 HydrophobicContact CD2-CG2 3.84Å; W443-V447 HydrophobicContact CE3-CG2 4.02Å; W443-V447 HydrophobicContact CH2-CG2 3.81Å; W443-V447 HydrophobicContact CZ2-CG2 3.65Å; W443-V447 HydrophobicContact CZ3-CG2 4Å; W443-V447 WeakPolarHBondContact O-CG2 3.48Å; W443-V447 PolarHBondContact O-N 2.69Å; W443-F464 AromaticContact CZ3-CE1 3.99Å; W443-F464 HydrophobicContact CZ3-CE1 3.99Å
444K97Very high96.4Very high66 Ų6644.7 Ų44.729%0.28723%0.233SC..Hα-helixtrans-55.1-44.2176.7-73.8-178.1-177.5174.80111.8N438 D439 H440 S441 V447 A448 F464N438-K444 WeakPolarHBondContact O-CE 3.31Å; N438-K444 PolarHBondContact O-NZ 3.1Å; D439-K444 IonicContact OD1-NZ 3.08Å; D439-K444 PolarHBondContact OD1-NZ 3.37Å; H440-K444 WeakPolarHBondContact O-CG 3.3Å; H440-K444 PolarHBondContact O-N 3.19Å; S441-K444 PolarHBondContact O-N 3.38Å; K444-V447 PolarHBondContact O-N 2.94Å; K444-A448 PolarHBondContact O-N 3.21Å; K444-F464 HydrophobicContact CB-CD1 4.06Å; K444-F464 HydrophobicContact CG-CD1 4.25Å; K444-F464 HydrophobicContact CG-CE1 4.39Å
445L96.6Very high95.8Very high39 Ų3947.6 Ų47.620%0.20424%0.242CC..Hα-helixtrans-64.5-46.7179.8179.459.3000112S441 W443 V447 A448 H449 Y465 I468 I484S441-L445 WeakPolarHBondContact O-CB 3.14Å; S441-L445 PolarHBondContact O-N 3.13Å; W443-L445 VanDerWaalsContact C-N 3.28Å; W443-L445 PolarHBondContact O-N 3.34Å; L445-V447 VanDerWaalsContact C-N 3.35Å; L445-V447 PolarHBondContact O-N 3.01Å; L445-A448 VanDerWaalsContact O-CB 3.26Å; L445-A448 WeakPolarHBondContact O-CB 3.41Å; L445-A448 PolarHBondContact O-N 2.83Å; L445-A448 VanDerWaalsContact O-N 3.14Å; L445-H449 PolarHBondContact O-CD2 3.33Å; L445-H449 PolarHBondContact O-N 3.3Å; L445-Y465 HydrophobicContact CD1-CD1 4.44Å; L445-Y465 HydrophobicContact CD1-CE1 4.07Å; L445-I468 HydrophobicContact CB-CD1 4.37Å; L445-I468 HydrophobicContact CD1-CD1 3.99Å; L445-I484 HydrophobicContact CD1-CD1 3.72Å; L445-I484 HydrophobicContact CD1-CG1 3.95Å; L445-I484 HydrophobicContact CD1-CG2 4.33Å; L445-I484 HydrophobicContact CD2-CD1 3.83Å; L445-I484 HydrophobicContact CG-CD1 4.45Å
446N97.4Very high95.6Very high52 Ų5248.5 Ų48.528%0.27825%0.251SS..Hα-helixtrans-68.5-33.8179.2-78.5-76.7000112.6M411 F430 I442 W443 A448 H449 V450M411-N446 HydrophobicContact SD-CB 4.14Å; F430-N446 HydrophobicContact CE1-CB 4.49Å; F430-N446 HydrophobicContact CE2-CB 3.95Å; F430-N446 HydrophobicContact CZ-CB 3.61Å; I442-N446 WeakPolarHBondContact CG2-ND2 3.33Å; I442-N446 PolarHBondContact O-N 2.91Å; I442-N446 PolarHBondContact O-ND2 3.28Å; W443-N446 PolarHBondContact O-N 3.28Å; N446-A448 VanDerWaalsContact C-N 3.32Å; N446-H449 PolarHBondContact O-N 3.23Å; N446-V450 WeakPolarHBondContact O-CG2 3.46Å; N446-V450 PolarHBondContact O-N 2.65Å
447V97.9Very high95.7Very high14 Ų1449.2 Ų49.29%0.08525%0.254CS..Hα-helixtrans-60.4-43.9169.2170.80000110.7F430 W443 K444 L445 H449 V450 L451 F464F430-V447 HydrophobicContact CB-CG2 3.72Å; F430-V447 HydrophobicContact CD1-CG2 4.33Å; F430-V447 HydrophobicContact CD2-CG2 3.68Å; F430-V447 HydrophobicContact CE2-CG2 4.36Å; F430-V447 HydrophobicContact CG-CG2 3.67Å; W443-V447 HydrophobicContact CD2-CG2 3.84Å; W443-V447 HydrophobicContact CE3-CG2 4.02Å; W443-V447 HydrophobicContact CH2-CG2 3.81Å; W443-V447 HydrophobicContact CZ2-CG2 3.65Å; W443-V447 HydrophobicContact CZ3-CG2 4Å; W443-V447 WeakPolarHBondContact O-CG2 3.48Å; W443-V447 PolarHBondContact O-N 2.69Å; K444-V447 PolarHBondContact O-N 2.94Å; L445-V447 VanDerWaalsContact C-N 3.35Å; L445-V447 PolarHBondContact O-N 3.01Å; V447-H449 VanDerWaalsContact C-N 3.33Å; V447-H449 PolarHBondContact O-N 3.18Å; V447-V450 PolarHBondContact O-N 3.06Å; V447-L451 HydrophobicContact CG1-CD1 3.73Å; V447-L451 HydrophobicContact CG1-CG 4.24Å; V447-L451 WeakPolarHBondContact O-CB 3.5Å; V447-L451 VanDerWaalsContact O-CG 3.26Å; V447-L451 WeakPolarHBondContact O-CG 3.47Å; V447-L451 PolarHBondContact O-N 3.35Å; V447-F464 HydrophobicContact CB-CD1 4.47Å; V447-F464 HydrophobicContact CB-CE1 4.31Å; V447-F464 HydrophobicContact CG1-CD1 4.24Å; V447-F464 HydrophobicContact CG1-CD2 4.15Å; V447-F464 HydrophobicContact CG1-CE1 3.87Å; V447-F464 HydrophobicContact CG1-CE2 3.77Å; V447-F464 HydrophobicContact CG1-CG 4.38Å; V447-F464 HydrophobicContact CG1-CZ 3.62Å
448A97.4Very high95.6Very high0 Ų050.1 Ų50.10%026%0.258CS..Hα-helixtrans-58.2-44.4175.600000112K444 L445 N446 L451 Y452 F464 Y465K444-A448 PolarHBondContact O-N 3.21Å; L445-A448 VanDerWaalsContact O-CB 3.26Å; L445-A448 WeakPolarHBondContact O-CB 3.41Å; L445-A448 PolarHBondContact O-N 2.83Å; L445-A448 VanDerWaalsContact O-N 3.14Å; N446-A448 VanDerWaalsContact C-N 3.32Å; A448-L451 PolarHBondContact O-N 3.01Å; A448-Y452 WeakPolarHBondContact O-CB 3.34Å; A448-Y452 PolarHBondContact O-N 3.49Å; A448-F464 HydrophobicContact CB-CB 3.53Å; A448-F464 HydrophobicContact CB-CG 4.46Å; A448-Y465 HydrophobicContact CB-CD1 3.77Å; A448-Y465 HydrophobicContact CB-CD2 4.2Å; A448-Y465 HydrophobicContact CB-CE1 3.52Å; A448-Y465 HydrophobicContact CB-CE2 3.96Å; A448-Y465 HydrophobicContact CB-CG 4.11Å
449H97.6Very high95.7Very high33 Ų3353.5 Ų53.515%0.15327%0.269CS..Hα-helixtrans-62.1-44.6176.6-67.6-33.8000112.3W418 L445 N446 V447 L451 Y452 M453 Y465W418-H449 HydrophobicContact CH2-CB 4.06Å; W418-H449 HydrophobicContact CZ3-CB 4.26Å; L445-H449 PolarHBondContact O-CD2 3.33Å; L445-H449 PolarHBondContact O-N 3.3Å; N446-H449 PolarHBondContact O-N 3.23Å; V447-H449 VanDerWaalsContact C-N 3.33Å; V447-H449 PolarHBondContact O-N 3.18Å; H449-L451 PolarHBondContact O-N 3.37Å; H449-Y452 WeakPolarHBondContact O-CB 3.49Å; H449-Y452 PolarHBondContact O-N 3.4Å; H449-M453 WeakPolarHBondContact O-CG 3.15Å; H449-M453 PolarHBondContact O-N 2.94Å; H449-Y465 AromaticContact CE1-CE1 3.9Å; H449-Y465 AromaticContact ND1-CE1 3.88Å; H449-Y465 AromaticContact ND1-CZ 3.74Å; H449-Y465 PolarHBondContact ND1-OH 3.08Å
450V97.9Very high95.9Very high3 Ų351 Ų512%0.01825%0.253CS..Hα-helixtrans-66-39.5178.5171.20000112.5W418 Y423 V426 E427 F430 N446 V447 Q454W418-V450 HydrophobicContact CE3-CG2 3.9Å; W418-V450 HydrophobicContact CZ3-CG2 3.76Å; Y423-V450 WeakPolarHBondContact O-CG1 3.44Å; V426-V450 HydrophobicContact CB-CG1 4.11Å; V426-V450 HydrophobicContact CB-CG2 3.95Å; V426-V450 HydrophobicContact CG1-CG1 4.37Å; V426-V450 HydrophobicContact CG1-CG2 3.41Å; V426-V450 VanDerWaalsContact CG1-CG2 3.41Å; E427-V450 HydrophobicContact CB-CG1 3.94Å; F430-V450 HydrophobicContact CD2-CG2 4.2Å; F430-V450 HydrophobicContact CE2-CG2 3.76Å; N446-V450 WeakPolarHBondContact O-CG2 3.46Å; N446-V450 PolarHBondContact O-N 2.65Å; V447-V450 PolarHBondContact O-N 3.06Å; V450-Q454 WeakPolarHBondContact O-CG 3.27Å; V450-Q454 PolarHBondContact O-N 3.02Å; V450-Q454 PolarHBondContact O-NE2 2.89Å
451L97.7Very high95.9Very high8 Ų850.1 Ų50.14%0.04225%0.248CC..Hα-helixtrans-68.9-37175-66.6171.2000111.2V447 A448 H449 Q454 K457 E460 A461 F464V447-L451 HydrophobicContact CG1-CD1 3.73Å; V447-L451 HydrophobicContact CG1-CG 4.24Å; V447-L451 WeakPolarHBondContact O-CB 3.5Å; V447-L451 VanDerWaalsContact O-CG 3.26Å; V447-L451 WeakPolarHBondContact O-CG 3.47Å; V447-L451 PolarHBondContact O-N 3.35Å; A448-L451 PolarHBondContact O-N 3.01Å; H449-L451 PolarHBondContact O-N 3.37Å; L451-Q454 PolarHBondContact O-N 3.27Å; L451-Q454 VanDerWaalsContact O-O 3.09Å; L451-K457 HydrophobicContact CB-CB 4.34Å; L451-K457 HydrophobicContact CD2-CB 4.25Å; L451-K457 HydrophobicContact CD2-CD 3.59Å; L451-K457 WeakPolarHBondContact O-CB 3.33Å; L451-E460 HydrophobicContact CD1-CB 3.99Å; L451-A461 HydrophobicContact CB-CB 3.84Å; L451-F464 HydrophobicContact CD1-CD2 3.78Å; L451-F464 HydrophobicContact CD1-CE2 3.75Å
452Y96.4Very high96Very high33 Ų3346.3 Ų46.313%0.12922%0.222CC..Hα-helixtrans-62.1-43.1175.7170.6-90.9000112.3A448 H449 Q454 Y458 N487 V490 T491A448-Y452 WeakPolarHBondContact O-CB 3.34Å; A448-Y452 PolarHBondContact O-N 3.49Å; H449-Y452 WeakPolarHBondContact O-CB 3.49Å; H449-Y452 PolarHBondContact O-N 3.4Å; Y452-Q454 PolarHBondContact O-N 2.95Å; Y452-Y458 HydrophobicContact CD2-CD1 4.15Å; Y452-Y458 HydrophobicContact CD2-CE1 4.03Å; Y452-Y458 HydrophobicContact CE2-CE1 4.12Å; Y452-Y458 WeakPolarHBondContact O-CE1 3.44Å; Y452-N487 HydrophobicContact CD2-CB 4.01Å; Y452-N487 HydrophobicContact CE2-CB 3.96Å; Y452-N487 HydrophobicContact CG-CB 4.46Å; Y452-V490 HydrophobicContact CE2-CB 3.91Å; Y452-V490 HydrophobicContact CE2-CG1 3.6Å; Y452-T491 HydrophobicContact CD2-CG2 3.93Å
453M95.3Very high96Very high72 Ų7248.6 Ų48.636%0.35523%0.231SC..Hα-helixtrans-67.6-19.1178.1-67.6-53-69.100113.1W418 Y423 H449 E455W418-M453 HydrophobicContact CH2-CG 3.43Å; W418-M453 VanDerWaalsContact CH2-CG 3.43Å; W418-M453 HydrophobicContact CH2-SD 4.45Å; W418-M453 HydrophobicContact CZ2-CG 4.18Å; W418-M453 HydrophobicContact CZ3-CG 3.91Å; Y423-M453 HydrophobicContact CD1-CB 3.86Å; Y423-M453 HydrophobicContact CD1-CG 4.34Å; Y423-M453 HydrophobicContact CD2-CB 3.95Å; Y423-M453 HydrophobicContact CE1-CB 3.87Å; Y423-M453 HydrophobicContact CE1-CE 4.4Å; Y423-M453 HydrophobicContact CE1-CG 3.99Å; Y423-M453 HydrophobicContact CE2-CB 3.94Å; Y423-M453 HydrophobicContact CE2-CE 4.21Å; Y423-M453 HydrophobicContact CG-CB 3.91Å; Y423-M453 VanDerWaalsContact OH-CE 3.29Å; Y423-M453 WeakPolarHBondContact OH-CE 3.31Å; H449-M453 WeakPolarHBondContact O-CG 3.15Å; H449-M453 PolarHBondContact O-N 2.94Å; M453-E455 PolarHBondContact O-N 3.45Å
454Q95Very high95.9Very high21 Ų2150.7 Ų50.710%0.09824%0.24CC..SBendtrans-89.893.3172.1-67.9-179.867.200109.5E427 V450 L451 Y452 N456 K457E427-Q454 PolarHBondContact OE2-NE2 3.33Å; E427-Q454 PolarHBondContact OE2-OE1 3.08Å; V450-Q454 WeakPolarHBondContact O-CG 3.27Å; V450-Q454 PolarHBondContact O-N 3.02Å; V450-Q454 PolarHBondContact O-NE2 2.89Å; L451-Q454 PolarHBondContact O-N 3.27Å; L451-Q454 VanDerWaalsContact O-O 3.09Å; Y452-Q454 PolarHBondContact O-N 2.95Å; Q454-N456 PolarHBondContact O-N 3.32Å; Q454-K457 HydrophobicContact CB-CB 4.38Å; Q454-K457 HydrophobicContact CB-CD 4.17Å; Q454-K457 HydrophobicContact CB-CG 4.29Å; Q454-K457 PolarHBondContact O-N 3.23Å
455E85.8Confident95.9Very high124 Ų12447.5 Ų47.558%0.57923%0.227SC*.THydrogen-bonded Turntrans-48.7-14.9-169.8-59.2-167.9-173.300117.3M453 Y458 K570M453-E455 PolarHBondContact O-N 3.45Å; E455-Y458 HydrophobicContact CB-CE2 4.28Å; E455-Y458 WeakPolarHBondContact O-CD2 3.42Å; E455-Y458 WeakPolarHBondContact O-CE2 3.4Å; E455-K570 IonicContact OE2-NZ 3.62Å; E455-K570 PolarHBondContact OE2-NZ 3.31Å
456N91.5Very high95.8Very high136 Ų13647.7 Ų47.773%0.72723%0.226SC*.THydrogen-bonded Turntrans-95.6117661.5-19.4000114.5Q454Q454-N456 PolarHBondContact O-N 3.32Å
457K96.6Very high95.6Very high30 Ų3048.9 Ų48.913%0.1324%0.237CC..  trans-117.519-173.3-62.5-171.7-178.11730114.5E427 L451 Q454 K459 E460 A461E427-K457 IonicContact OE1-NZ 3.52Å; E427-K457 PolarHBondContact OE1-NZ 2.86Å; E427-K457 IonicContact OE2-NZ 2.97Å; E427-K457 PolarHBondContact OE2-NZ 3.45Å; L451-K457 HydrophobicContact CB-CB 4.34Å; L451-K457 HydrophobicContact CD2-CB 4.25Å; L451-K457 HydrophobicContact CD2-CD 3.59Å; L451-K457 WeakPolarHBondContact O-CB 3.33Å; Q454-K457 HydrophobicContact CB-CB 4.38Å; Q454-K457 HydrophobicContact CB-CD 4.17Å; Q454-K457 HydrophobicContact CB-CG 4.29Å; Q454-K457 PolarHBondContact O-N 3.23Å; K457-K459 PolarHBondContact O-N 2.88Å; K457-K459 VanDerWaalsContact O-N 3.15Å; K457-E460 PolarHBondContact O-N 3.47Å; K457-A461 PolarHBondContact O-N 2.99Å
458Y95.9Very high95.2Very high19 Ų1950.5 Ų50.58%0.07525%0.245CC..Hα-helixtrans-54.7-36.3178.6-64.6-59.7000114Y452 E455 E460 A461 C462 V490 T491 M494Y452-Y458 HydrophobicContact CD2-CD1 4.15Å; Y452-Y458 HydrophobicContact CD2-CE1 4.03Å; Y452-Y458 HydrophobicContact CE2-CE1 4.12Å; Y452-Y458 WeakPolarHBondContact O-CE1 3.44Å; E455-Y458 HydrophobicContact CB-CE2 4.28Å; E455-Y458 WeakPolarHBondContact O-CD2 3.42Å; E455-Y458 WeakPolarHBondContact O-CE2 3.4Å; Y458-E460 VanDerWaalsContact C-N 3.33Å; Y458-E460 PolarHBondContact O-N 3.48Å; Y458-A461 PolarHBondContact O-N 3.31Å; Y458-C462 WeakPolarHBondContact O-CB 3.36Å; Y458-C462 PolarHBondContact O-N 3.29Å; Y458-V490 HydrophobicContact CE1-CG1 4.41Å; Y458-T491 HydrophobicContact CD1-CG2 4.01Å; Y458-M494 HydrophobicContact CD1-CB 4.44Å; Y458-M494 HydrophobicContact CD2-CB 3.43Å; Y458-M494 VanDerWaalsContact CD2-CB 3.43Å; Y458-M494 HydrophobicContact CD2-CE 4.32Å; Y458-M494 HydrophobicContact CD2-CG 3.93Å; Y458-M494 HydrophobicContact CE1-CG 4.5Å; Y458-M494 HydrophobicContact CE2-CB 3.81Å; Y458-M494 HydrophobicContact CE2-CE 3.7Å; Y458-M494 HydrophobicContact CE2-CG 3.77Å; Y458-M494 HydrophobicContact CG-CB 3.78Å; Y458-M494 HydrophobicContact CG-CG 4.34Å
459K96.4Very high94.7Very high149 Ų14950.8 Ų50.865%0.64825%0.246SC*.Hα-helixtrans-64.3-38.2177.1-173.1177.1-179.7178.30112.3K457 C462 T495K457-K459 PolarHBondContact O-N 2.88Å; K457-K459 VanDerWaalsContact O-N 3.15Å; K459-C462 WeakPolarHBondContact O-CB 3.4Å; K459-T495 HydrophobicContact CB-CG2 4.03Å
460E96.9Very high94.3Very high83 Ų8355.3 Ų55.339%0.38827%0.265SS..Hα-helixtrans-72.9-44.2176.7-62.9173.3-117.900110.2L451 K457 Y458 C462 Q463 F464L451-E460 HydrophobicContact CD1-CB 3.99Å; K457-E460 PolarHBondContact O-N 3.47Å; Y458-E460 VanDerWaalsContact C-N 3.33Å; Y458-E460 PolarHBondContact O-N 3.48Å; E460-C462 VanDerWaalsContact C-N 3.26Å; E460-C462 PolarHBondContact O-N 2.9Å; E460-Q463 WeakPolarHBondContact O-CB 3.34Å; E460-Q463 PolarHBondContact O-N 2.92Å; E460-F464 WeakPolarHBondContact O-CD2 3.48Å
461A97.1Very high93.8Very high0 Ų063.2 Ų63.20%030%0.299CS..Hα-helixtrans-56.1-41.4174.700000112.1L451 K457 Y458 Q463 F464 Y465 T491L451-A461 HydrophobicContact CB-CB 3.84Å; K457-A461 PolarHBondContact O-N 2.99Å; Y458-A461 PolarHBondContact O-N 3.31Å; A461-Q463 VanDerWaalsContact C-N 3.27Å; A461-Q463 PolarHBondContact O-N 3.43Å; A461-F464 PolarHBondContact O-N 3.44Å; A461-Y465 HydrophobicContact CB-CD2 4.4Å; A461-Y465 HydrophobicContact CB-CE2 4.16Å; A461-Y465 VanDerWaalsContact O-CD2 3.29Å; A461-Y465 WeakPolarHBondContact O-CD2 3.35Å; A461-Y465 PolarHBondContact O-N 2.93Å; A461-T491 HydrophobicContact CB-CG2 3.99Å
462C96Very high93.1Very high6 Ų665.9 Ų65.94%0.04131%0.312CS..Hα-helixtrans-55.4-40.2175.3-1690000112.2Y458 K459 E460 F464 Y465 E466Y458-C462 WeakPolarHBondContact O-CB 3.36Å; Y458-C462 PolarHBondContact O-N 3.29Å; K459-C462 WeakPolarHBondContact O-CB 3.4Å; E460-C462 VanDerWaalsContact C-N 3.26Å; E460-C462 PolarHBondContact O-N 2.9Å; C462-F464 PolarHBondContact O-N 3.34Å; C462-Y465 PolarHBondContact O-N 3.38Å; C462-E466 WeakPolarHBondContact O-CB 3.38Å; C462-E466 WeakPolarHBondContact O-CG 3.46Å; C462-E466 PolarHBondContact O-N 3.45Å
463Q95.8Very high92.3Very high125 Ų12566.8 Ų66.858%0.58432%0.315SS*.Hα-helixtrans-65.6-23.6179.3-66.2174.8-7.300113.1E460 A461 P467E460-Q463 WeakPolarHBondContact O-CB 3.34Å; E460-Q463 PolarHBondContact O-N 2.92Å; A461-Q463 VanDerWaalsContact C-N 3.27Å; A461-Q463 PolarHBondContact O-N 3.43Å; Q463-P467 WeakPolarHBondContact O-CD 3.24Å; Q463-P467 WeakPolarHBondContact O-CG 3.47Å
464F96Very high91.7Very high51 Ų5171 Ų7122%0.22433%0.334CS..Hα-helixtrans-89.8-35.9175.2-75.5-89.1000113W443 K444 V447 A448 L451 E460 A461 C462W443-F464 AromaticContact CZ3-CE1 3.99Å; W443-F464 HydrophobicContact CZ3-CE1 3.99Å; K444-F464 HydrophobicContact CB-CD1 4.06Å; K444-F464 HydrophobicContact CG-CD1 4.25Å; K444-F464 HydrophobicContact CG-CE1 4.39Å; V447-F464 HydrophobicContact CB-CD1 4.47Å; V447-F464 HydrophobicContact CB-CE1 4.31Å; V447-F464 HydrophobicContact CG1-CD1 4.24Å; V447-F464 HydrophobicContact CG1-CD2 4.15Å; V447-F464 HydrophobicContact CG1-CE1 3.87Å; V447-F464 HydrophobicContact CG1-CE2 3.77Å; V447-F464 HydrophobicContact CG1-CG 4.38Å; V447-F464 HydrophobicContact CG1-CZ 3.62Å; A448-F464 HydrophobicContact CB-CB 3.53Å; A448-F464 HydrophobicContact CB-CG 4.46Å; L451-F464 HydrophobicContact CD1-CD2 3.78Å; L451-F464 HydrophobicContact CD1-CE2 3.75Å; E460-F464 WeakPolarHBondContact O-CD2 3.48Å; A461-F464 PolarHBondContact O-N 3.44Å; C462-F464 PolarHBondContact O-N 3.34Å
465Y95.9Very high91.1Very high0 Ų076.9 Ų76.90%036%0.361CS..Hα-helixtrans-73.3-40.1177.6-71.2-53.8000113.1L445 A448 H449 A461 C462 I468 I469 I484 N487 T491L445-Y465 HydrophobicContact CD1-CD1 4.44Å; L445-Y465 HydrophobicContact CD1-CE1 4.07Å; A448-Y465 HydrophobicContact CB-CD1 3.77Å; A448-Y465 HydrophobicContact CB-CD2 4.2Å; A448-Y465 HydrophobicContact CB-CE1 3.52Å; A448-Y465 HydrophobicContact CB-CE2 3.96Å; A448-Y465 HydrophobicContact CB-CG 4.11Å; H449-Y465 AromaticContact CE1-CE1 3.9Å; H449-Y465 AromaticContact ND1-CE1 3.88Å; H449-Y465 AromaticContact ND1-CZ 3.74Å; H449-Y465 PolarHBondContact ND1-OH 3.08Å; A461-Y465 HydrophobicContact CB-CD2 4.4Å; A461-Y465 HydrophobicContact CB-CE2 4.16Å; A461-Y465 VanDerWaalsContact O-CD2 3.29Å; A461-Y465 WeakPolarHBondContact O-CD2 3.35Å; A461-Y465 PolarHBondContact O-N 2.93Å; C462-Y465 PolarHBondContact O-N 3.38Å; Y465-I468 WeakPolarHBondContact O-CB 3.45Å; Y465-I468 PolarHBondContact O-N 3.29Å; Y465-I468 VanDerWaalsContact O-N 3.14Å; Y465-I469 PolarHBondContact O-N 3.01Å; Y465-I484 HydrophobicContact CD1-CG2 3.75Å; Y465-I484 HydrophobicContact CE1-CG2 4.08Å; Y465-N487 HydrophobicContact CE1-CB 4.34Å; Y465-N487 HydrophobicContact CE2-CB 3.82Å; Y465-N487 WeakPolarHBondContact OH-CB 3.4Å; Y465-N487 PolarHBondContact OH-ND2 2.89Å; Y465-N487 VanDerWaalsContact OH-ND2 3.14Å; Y465-T491 HydrophobicContact CD2-CG2 4.29Å; Y465-T491 HydrophobicContact CE2-CG2 4.29Å
466E94.6Very high91Very high42 Ų4274.2 Ų74.220%0.19635%0.347CS..Hα-helixtrans-56-47-175.5-84.4-168.3178.400114.3C462 I468 I469 K470 L488 Y492C462-E466 WeakPolarHBondContact O-CB 3.38Å; C462-E466 WeakPolarHBondContact O-CG 3.46Å; C462-E466 PolarHBondContact O-N 3.45Å; E466-I468 PolarHBondContact O-N 2.84Å; E466-I469 PolarHBondContact O-N 3.31Å; E466-K470 HydrophobicContact CB-CD 4.48Å; E466-K470 WeakPolarHBondContact O-CB 3.39Å; E466-K470 VanDerWaalsContact O-CG 3.31Å; E466-K470 WeakPolarHBondContact O-CG 3.44Å; E466-K470 PolarHBondContact O-N 3.48Å; E466-K470 IonicContact OE2-NZ 3.45Å; E466-K470 PolarHBondContact OE2-NZ 2.89Å; E466-L488 HydrophobicContact CG-CD1 4.24Å; E466-Y492 WeakPolarHBondContact CG-OH 3.34Å; E466-Y492 WeakPolarHBondContact OE1-CE1 3.48Å; E466-Y492 PolarHBondContact OE1-OH 3.06Å
467P93.2Very high90.9Very high77 Ų7767.7 Ų67.750%0.531%0.313SS..Hα-helixtrans-60.6-34179.1-25.335.6000113.3Q463 I469 K471Q463-P467 WeakPolarHBondContact O-CD 3.24Å; Q463-P467 WeakPolarHBondContact O-CG 3.47Å; P467-I469 VanDerWaalsContact C-N 3.34Å; P467-K471 WeakPolarHBondContact O-CB 3.28Å; P467-K471 PolarHBondContact O-N 2.9Å
468I89.4Confident90.6Very high49 Ų4966.7 Ų66.725%0.25131%0.308SS..Hα-helixtrans-63.6-45.5178.3-58.5174.4000109.4L445 Y465 E466L445-I468 HydrophobicContact CB-CD1 4.37Å; L445-I468 HydrophobicContact CD1-CD1 3.99Å; Y465-I468 WeakPolarHBondContact O-CB 3.45Å; Y465-I468 PolarHBondContact O-N 3.29Å; Y465-I468 VanDerWaalsContact O-N 3.14Å; E466-I468 PolarHBondContact O-N 2.84Å
469I88.9Confident90.2Very high6 Ų671.1 Ų71.13%0.03133%0.333CS..Hα-helixtrans-76.8-42.5-176.8-70.8164000111.1Y465 E466 P467 K471 Q472 Y473 L477 I480 L485 L488 L504Y465-I469 PolarHBondContact O-N 3.01Å; E466-I469 PolarHBondContact O-N 3.31Å; P467-I469 VanDerWaalsContact C-N 3.34Å; I469-K471 PolarHBondContact O-N 3.34Å; I469-Q472 CarbonylContact O-C 3.15Å; I469-Q472 PolarHBondContact O-N 3.36Å; I469-Y473 HydrophobicContact CG2-CD2 4.12Å; I469-Y473 WeakPolarHBondContact O-CA 3.26Å; I469-Y473 WeakPolarHBondContact O-CB 3.44Å; I469-Y473 PolarHBondContact O-N 3.11Å; I469-L477 HydrophobicContact CG2-CD2 3.98Å; I469-I480 HydrophobicContact CB-CD1 4.37Å; I469-I480 HydrophobicContact CG1-CD1 3.73Å; I469-L485 HydrophobicContact CD1-CD2 3.69Å; I469-L485 HydrophobicContact CG1-CD2 3.86Å; I469-L488 HydrophobicContact CB-CD2 4.33Å; I469-L488 HydrophobicContact CD1-CB 3.78Å; I469-L488 HydrophobicContact CD1-CD2 3.24Å; I469-L488 HydrophobicContact CD1-CG 4.08Å; I469-L488 HydrophobicContact CG1-CD2 4.32Å; I469-L488 HydrophobicContact CG2-CD2 4.44Å; I469-L504 HydrophobicContact CG2-CD1 4.34Å
470K89.1Confident89.9Confident128 Ų12864.7 Ų64.756%0.55731%0.306SS*.Hα-helixtrans-55.6-37.1175.5-77172.9176.7164.50112.4E466 Q472E466-K470 HydrophobicContact CB-CD 4.48Å; E466-K470 WeakPolarHBondContact O-CB 3.39Å; E466-K470 VanDerWaalsContact O-CG 3.31Å; E466-K470 WeakPolarHBondContact O-CG 3.44Å; E466-K470 PolarHBondContact O-N 3.48Å; E466-K470 IonicContact OE2-NZ 3.45Å; E466-K470 PolarHBondContact OE2-NZ 2.89Å; K470-Q472 VanDerWaalsContact C-N 3.29Å; K470-Q472 PolarHBondContact O-N 3.47Å
471K86.9Confident89.6Confident168 Ų16864 Ų6473%0.7331%0.31SS*.Hα-helixtrans-63.4-31.7177-171.4177.7178.5-177.20113.2P467 I469P467-K471 WeakPolarHBondContact O-CB 3.28Å; P467-K471 PolarHBondContact O-N 2.9Å; I469-K471 PolarHBondContact O-N 3.34Å
472Q82.3Confident89.4Confident64 Ų6464.4 Ų64.430%0.29931%0.314SS..Hα-helixtrans-108.9-1.5-177.9-64.9-68.73.200113.8I469 K470 H474 H475 K476 I480I469-Q472 CarbonylContact O-C 3.15Å; I469-Q472 PolarHBondContact O-N 3.36Å; K470-Q472 VanDerWaalsContact C-N 3.29Å; K470-Q472 PolarHBondContact O-N 3.47Å; Q472-H474 PolarHBondContact O-N 2.79Å; Q472-H474 VanDerWaalsContact O-N 3.12Å; Q472-H475 PolarHBondContact O-N 3.07Å; Q472-K476 PolarHBondContact O-N 3.06Å; Q472-I480 HydrophobicContact CB-CD1 4Å; Q472-I480 HydrophobicContact CB-CG1 4.34Å; Q472-I480 HydrophobicContact CG-CD1 4.37Å; Q472-I480 HydrophobicContact CG-CG1 4.38Å
473Y81.1Confident89.3Confident52 Ų5267.5 Ų67.520%0.20433%0.329CS..THydrogen-bonded Turntrans-57.9-32.5-172.5-162.6-103000113.1I469 L477 E503 L504 K507I469-Y473 HydrophobicContact CG2-CD2 4.12Å; I469-Y473 WeakPolarHBondContact O-CA 3.26Å; I469-Y473 WeakPolarHBondContact O-CB 3.44Å; I469-Y473 PolarHBondContact O-N 3.11Å; Y473-L477 HydrophobicContact CD2-CD1 4.45Å; Y473-L477 HydrophobicContact CD2-CD2 4.18Å; Y473-E503 PolarHBondContact OH-OE1 3.04Å; Y473-L504 HydrophobicContact CE2-CD1 4.41Å; Y473-K507 HydrophobicContact CD2-CD 4.27Å; Y473-K507 HydrophobicContact CE1-CD 4.01Å; Y473-K507 HydrophobicContact CE2-CD 3.7Å; Y473-K507 WeakPolarHBondContact O-CE 3.48Å; Y473-K507 PolarHBondContact O-NZ 3.01Å
474H81.7Confident89.3Confident161 Ų16162.3 Ų62.375%0.74531%0.305SS*.THydrogen-bonded Turntrans-97.3-0.7179.5-60-65000114.1Q472Q472-H474 PolarHBondContact O-N 2.79Å; Q472-H474 VanDerWaalsContact O-N 3.12Å
475H81.7Confident89.3Confident144 Ų14459.9 Ų59.967%0.66729%0.294SS*.THydrogen-bonded Turntrans-104.8-82.8-179.3-65-59.2000111Q472Q472-H475 PolarHBondContact O-N 3.07Å
476K84.5Confident89.3Confident68 Ų6859.9 Ų59.930%0.29629%0.294SS..  trans-157.2110.6177.7-166.9166.3-174.8175.10109.3Q472 L478 N479Q472-K476 PolarHBondContact O-N 3.06Å; K476-L478 VanDerWaalsContact C-N 3.26Å; K476-L478 HydrophobicContact CG-CB 4.16Å; K476-L478 PolarHBondContact O-N 3.26Å; K476-N479 PolarHBondContact O-N 3.18Å
477L89.6Confident89.4Confident0 Ų058.3 Ų58.30%029%0.287CS..G310 helixtrans-66.7-30.2177.4-70.4-177.5000111.9I469 Y473 N479 I480 L504 K507 I508 E511I469-L477 HydrophobicContact CG2-CD2 3.98Å; Y473-L477 HydrophobicContact CD2-CD1 4.45Å; Y473-L477 HydrophobicContact CD2-CD2 4.18Å; L477-N479 PolarHBondContact O-N 3.03Å; L477-I480 HydrophobicContact CD2-CD1 4.31Å; L477-I480 WeakPolarHBondContact O-CB 3.4Å; L477-I480 PolarHBondContact O-N 3.4Å; L477-L504 HydrophobicContact CD1-CD1 3.66Å; L477-K507 HydrophobicContact CD1-CB 4.32Å; L477-K507 HydrophobicContact CD1-CD 3.73Å; L477-K507 HydrophobicContact CD1-CG 3.8Å; L477-I508 HydrophobicContact CB-CG1 4.36Å; L477-I508 HydrophobicContact CD1-CG1 3.87Å; L477-E511 WeakPolarHBondContact CB-OE2 3.47Å; L477-E511 PolarHBondContact N-OE2 3Å
478L89.9Confident89.5Confident8 Ų854.7 Ų54.74%0.04226%0.264CS..G310 helixtrans-63.2-12.7178-57.6-179.6000113.9K476 I480 I508 E511 E512 Q515 L553 H555K476-L478 VanDerWaalsContact C-N 3.26Å; K476-L478 HydrophobicContact CG-CB 4.16Å; K476-L478 PolarHBondContact O-N 3.26Å; L478-I480 VanDerWaalsContact C-N 3.29Å; L478-I508 HydrophobicContact CD2-CG2 4.2Å; L478-E511 HydrophobicContact CD1-CB 4.04Å; L478-E511 HydrophobicContact CG-CB 4.05Å; L478-E512 HydrophobicContact CD1-CG 4.26Å; L478-E512 HydrophobicContact CD2-CG 3.68Å; L478-Q515 HydrophobicContact CD1-CB 4.4Å; L478-L553 HydrophobicContact CD1-CD1 4.24Å; L478-L553 HydrophobicContact CD1-CD2 4.13Å; L478-H555 HydrophobicContact CD2-CB 4.01Å; L478-H555 PolarHBondContact O-CE1 3.38Å; L478-H555 PolarHBondContact O-NE2 2.92Å
479N87Confident89.9Confident112 Ų11252.4 Ų52.460%0.59925%0.252SS*.G310 helixtrans-78-14.3171.8-68.6-7.5000113K476 L477K476-N479 PolarHBondContact O-N 3.18Å; L477-N479 PolarHBondContact O-N 3.03Å
480I90.1Very high90.2Very high15 Ų1552.1 Ų52.18%0.07725%0.251CS..SBendtrans-85.4143.1174.1-57.4180000108.7I469 Q472 L477 L478 A482 I484 L485 H555I469-I480 HydrophobicContact CB-CD1 4.37Å; I469-I480 HydrophobicContact CG1-CD1 3.73Å; Q472-I480 HydrophobicContact CB-CD1 4Å; Q472-I480 HydrophobicContact CB-CG1 4.34Å; Q472-I480 HydrophobicContact CG-CD1 4.37Å; Q472-I480 HydrophobicContact CG-CG1 4.38Å; L477-I480 HydrophobicContact CD2-CD1 4.31Å; L477-I480 WeakPolarHBondContact O-CB 3.4Å; L477-I480 PolarHBondContact O-N 3.4Å; L478-I480 VanDerWaalsContact C-N 3.29Å; I480-A482 PolarHBondContact O-N 2.91Å; I480-I484 HydrophobicContact CG2-CB 3.84Å; I480-I484 HydrophobicContact CG2-CD1 4.1Å; I480-I484 HydrophobicContact CG2-CG1 4.49Å; I480-I484 HydrophobicContact CG2-CG2 4.04Å; I480-L485 HydrophobicContact CB-CD2 4.23Å; I480-L485 HydrophobicContact CB-CG 4.32Å; I480-L485 HydrophobicContact CD1-CD2 4.18Å; I480-L485 HydrophobicContact CG2-CD2 4.1Å; I480-L485 HydrophobicContact CG2-CG 4.14Å; I480-H555 PolarHBondContact O-CD2 3.46Å; I480-H555 PolarHBondContact O-NE2 3.29Å
481S91.2Very high90.5Very high68 Ų6846 Ų4648%0.47622%0.224SC..  trans-57.7132.1172.8177.50000111.3I483 I484 L485S481-I483 PolarHBondContact O-N 3.47Å; S481-I483 VanDerWaalsContact O-N 3.12Å; S481-I483 WeakPolarHBondContact OG-CG2 3.45Å; S481-I484 WeakPolarHBondContact O-CB 3.16Å; S481-I484 PolarHBondContact O-N 2.87Å; S481-L485 PolarHBondContact O-N 3.18Å
482A93.3Very high91Very high8 Ų838.9 Ų38.97%0.06619%0.193CC..Hα-helixtrans-54.3-34.1-177.800000113.2I480 I484 L485 A486 H555 I558I480-A482 PolarHBondContact O-N 2.91Å; A482-I484 VanDerWaalsContact C-N 3.29Å; A482-I484 PolarHBondContact O-N 3.06Å; A482-L485 PolarHBondContact O-N 3.34Å; A482-A486 WeakPolarHBondContact O-CB 3.47Å; A482-A486 PolarHBondContact O-N 3.41Å; A482-H555 HydrophobicContact CB-CB 4.29Å; A482-I558 HydrophobicContact CB-CB 3.93Å; A482-I558 HydrophobicContact CB-CD1 3.53Å; A482-I558 HydrophobicContact CB-CG1 4.32Å; A482-I558 HydrophobicContact CB-CG2 3.94Å
483I94.3Very high91.6Very high72 Ų7237.1 Ų37.137%0.36919%0.185SC..Hα-helixtrans-64.6-33178.7-162.361.2000112.6S481 N487 V562S481-I483 PolarHBondContact O-N 3.47Å; S481-I483 VanDerWaalsContact O-N 3.12Å; S481-I483 WeakPolarHBondContact OG-CG2 3.45Å; I483-N487 VanDerWaalsContact O-CB 3.31Å; I483-N487 WeakPolarHBondContact O-CB 3.33Å; I483-N487 PolarHBondContact O-N 2.93Å; I483-N487 PolarHBondContact O-ND2 3.39Å; I483-N487 PolarHBondContact O-OD1 3.07Å; I483-V562 HydrophobicContact CD1-CG2 4.26Å
484I95Very high92.2Very high15 Ų1538 Ų388%0.07719%0.192CC..Hα-helixtrans-70.3-44.8179.5-57.1176.9000109.4L445 Y465 I480 S481 A482 N487 L488L445-I484 HydrophobicContact CD1-CD1 3.72Å; L445-I484 HydrophobicContact CD1-CG1 3.95Å; L445-I484 HydrophobicContact CD1-CG2 4.33Å; L445-I484 HydrophobicContact CD2-CD1 3.83Å; L445-I484 HydrophobicContact CG-CD1 4.45Å; Y465-I484 HydrophobicContact CD1-CG2 3.75Å; Y465-I484 HydrophobicContact CE1-CG2 4.08Å; I480-I484 HydrophobicContact CG2-CB 3.84Å; I480-I484 HydrophobicContact CG2-CD1 4.1Å; I480-I484 HydrophobicContact CG2-CG1 4.49Å; I480-I484 HydrophobicContact CG2-CG2 4.04Å; S481-I484 WeakPolarHBondContact O-CB 3.16Å; S481-I484 PolarHBondContact O-N 2.87Å; A482-I484 VanDerWaalsContact C-N 3.29Å; A482-I484 PolarHBondContact O-N 3.06Å; I484-N487 PolarHBondContact O-N 2.98Å; I484-L488 PolarHBondContact O-N 3.3Å
485L96.2Very high92.8Very high0 Ų032 Ų320%017%0.167CC..Hα-helixtrans-62.6-44.9175.9-60.4177.9000110.8I469 I480 S481 A482 N487 L488 C489 I508 I559I469-L485 HydrophobicContact CD1-CD2 3.69Å; I469-L485 HydrophobicContact CG1-CD2 3.86Å; I480-L485 HydrophobicContact CB-CD2 4.23Å; I480-L485 HydrophobicContact CB-CG 4.32Å; I480-L485 HydrophobicContact CD1-CD2 4.18Å; I480-L485 HydrophobicContact CG2-CD2 4.1Å; I480-L485 HydrophobicContact CG2-CG 4.14Å; S481-L485 PolarHBondContact O-N 3.18Å; A482-L485 PolarHBondContact O-N 3.34Å; L485-N487 PolarHBondContact O-N 3.35Å; L485-L488 PolarHBondContact O-N 3.17Å; L485-C489 PolarHBondContact O-N 2.94Å; L485-C489 PolarHBondContact O-SG 3.42Å; L485-C489 VanDerWaalsContact O-SG 3.41Å; L485-I508 HydrophobicContact CB-CD1 4.08Å; L485-I508 HydrophobicContact CD1-CD1 3.6Å; L485-I508 HydrophobicContact CD1-CG1 4.16Å; L485-I508 HydrophobicContact CD2-CD1 4.44Å; L485-I508 HydrophobicContact CG-CD1 4.25Å; L485-I559 HydrophobicContact CB-CD1 3.89Å; L485-I559 HydrophobicContact CB-CG1 4.36Å
486A96.2Very high93.4Very high0 Ų030.3 Ų30.30%017%0.171CC..Hα-helixtrans-59.8-45.917700000112.1A482 L488 C489 V490 I558 I559 V562A482-A486 WeakPolarHBondContact O-CB 3.47Å; A482-A486 PolarHBondContact O-N 3.41Å; A486-L488 PolarHBondContact O-N 3.04Å; A486-C489 PolarHBondContact O-N 3.38Å; A486-V490 WeakPolarHBondContact O-CG2 3.21Å; A486-V490 PolarHBondContact O-N 3.16Å; A486-I558 HydrophobicContact CB-CG2 4.48Å; A486-I559 HydrophobicContact CB-CB 4.37Å; A486-I559 HydrophobicContact CB-CG1 3.83Å; A486-V562 HydrophobicContact CB-CB 3.95Å; A486-V562 HydrophobicContact CB-CG1 4.08Å; A486-V562 HydrophobicContact CB-CG2 3.93Å
487N95.7Very high93.9Very high9 Ų930 Ų305%0.04817%0.17CC..Hα-helixtrans-64.4-39.2177.6-71.1-7.9000111.7Y452 Y465 I483 I484 L485 V490 T491Y452-N487 HydrophobicContact CD2-CB 4.01Å; Y452-N487 HydrophobicContact CE2-CB 3.96Å; Y452-N487 HydrophobicContact CG-CB 4.46Å; Y465-N487 HydrophobicContact CE1-CB 4.34Å; Y465-N487 HydrophobicContact CE2-CB 3.82Å; Y465-N487 WeakPolarHBondContact OH-CB 3.4Å; Y465-N487 PolarHBondContact OH-ND2 2.89Å; Y465-N487 VanDerWaalsContact OH-ND2 3.14Å; I483-N487 VanDerWaalsContact O-CB 3.31Å; I483-N487 WeakPolarHBondContact O-CB 3.33Å; I483-N487 PolarHBondContact O-N 2.93Å; I483-N487 PolarHBondContact O-ND2 3.39Å; I483-N487 PolarHBondContact O-OD1 3.07Å; I484-N487 PolarHBondContact O-N 2.98Å; L485-N487 PolarHBondContact O-N 3.35Å; N487-V490 PolarHBondContact O-N 3.26Å; N487-T491 VanDerWaalsContact O-CG2 3.3Å; N487-T491 WeakPolarHBondContact O-CG2 3.24Å; N487-T491 PolarHBondContact O-N 2.97Å; N487-T491 PolarHBondContact O-OG1 3.42Å
488L96.4Very high94.1Very high2 Ų234.1 Ų34.11%0.0119%0.193CC..Hα-helixtrans-62.5-48.1173.3-178.458.8000111.1E466 I469 I484 L485 A486 V490 T491 Y492 L504E466-L488 HydrophobicContact CG-CD1 4.24Å; I469-L488 HydrophobicContact CB-CD2 4.33Å; I469-L488 HydrophobicContact CD1-CB 3.78Å; I469-L488 HydrophobicContact CD1-CD2 3.24Å; I469-L488 HydrophobicContact CD1-CG 4.08Å; I469-L488 HydrophobicContact CG1-CD2 4.32Å; I469-L488 HydrophobicContact CG2-CD2 4.44Å; I484-L488 PolarHBondContact O-N 3.3Å; L485-L488 PolarHBondContact O-N 3.17Å; A486-L488 PolarHBondContact O-N 3.04Å; L488-V490 VanDerWaalsContact C-N 3.26Å; L488-V490 PolarHBondContact O-N 3.03Å; L488-T491 WeakPolarHBondContact CA-OG1 3.22Å; L488-T491 WeakPolarHBondContact CD1-OG1 3.41Å; L488-T491 PolarHBondContact O-N 3.25Å; L488-T491 PolarHBondContact O-OG1 3.46Å; L488-Y492 HydrophobicContact CD1-CD2 4.16Å; L488-Y492 HydrophobicContact CD1-CE1 4.22Å; L488-Y492 HydrophobicContact CD1-CE2 3.81Å; L488-Y492 HydrophobicContact CD2-CD2 4.44Å; L488-Y492 HydrophobicContact CD2-CE2 3.64Å; L488-Y492 HydrophobicContact CG-CD2 3.9Å; L488-Y492 HydrophobicContact CG-CE2 3.56Å; L488-Y492 PolarHBondContact O-N 3.01Å; L488-L504 HydrophobicContact CB-CD2 4.44Å; L488-L504 HydrophobicContact CD2-CD2 3.94Å; L488-L504 HydrophobicContact CG-CD2 4.25Å
489C96.8Very high94.4Very high0 Ų041.8 Ų41.80%023%0.228CC..Hα-helixtrans-53.9-45.2176.3-71.40000111.6L485 A486 Y492 I493 A501 I559 I563L485-C489 PolarHBondContact O-N 2.94Å; L485-C489 PolarHBondContact O-SG 3.42Å; L485-C489 VanDerWaalsContact O-SG 3.41Å; A486-C489 PolarHBondContact O-N 3.38Å; C489-Y492 PolarHBondContact O-N 2.69Å; C489-I493 VanDerWaalsContact O-CG1 3.3Å; C489-I493 WeakPolarHBondContact O-CG1 3.48Å; C489-I493 PolarHBondContact O-N 3.48Å; C489-A501 HydrophobicContact CB-CB 4.49Å; C489-I559 HydrophobicContact CB-CG2 4.27Å; C489-I563 HydrophobicContact CB-CD1 4.08Å
490V95.6Very high94.8Very high0 Ų042.2 Ų42.20%022%0.222CC..Hα-helixtrans-62.4-45.3175.2167.50000111.6Y452 Y458 A486 N487 L488 Y492 I493 M494 V562 I563 L566Y452-V490 HydrophobicContact CE2-CB 3.91Å; Y452-V490 HydrophobicContact CE2-CG1 3.6Å; Y458-V490 HydrophobicContact CE1-CG1 4.41Å; A486-V490 WeakPolarHBondContact O-CG2 3.21Å; A486-V490 PolarHBondContact O-N 3.16Å; N487-V490 PolarHBondContact O-N 3.26Å; L488-V490 VanDerWaalsContact C-N 3.26Å; L488-V490 PolarHBondContact O-N 3.03Å; V490-Y492 VanDerWaalsContact C-N 3.27Å; V490-Y492 PolarHBondContact O-N 3.14Å; V490-I493 PolarHBondContact O-N 3.43Å; V490-M494 HydrophobicContact CG1-CG 3.99Å; V490-M494 WeakPolarHBondContact O-CB 3.33Å; V490-M494 VanDerWaalsContact O-CG 3.28Å; V490-M494 WeakPolarHBondContact O-CG 3.48Å; V490-M494 PolarHBondContact O-N 2.78Å; V490-V562 HydrophobicContact CG2-CG1 3.75Å; V490-I563 HydrophobicContact CG2-CG1 4.23Å; V490-L566 HydrophobicContact CB-CD2 4.29Å; V490-L566 HydrophobicContact CG1-CD2 3.61Å; V490-L566 HydrophobicContact CG2-CD2 3.96Å
491T96Very high95.1Very high0 Ų041.7 Ų41.70%022%0.22CC..Hα-helixtrans-61.5-35.9177.659.20000112.3Y452 Y458 A461 Y465 N487 L488 T495Y452-T491 HydrophobicContact CD2-CG2 3.93Å; Y458-T491 HydrophobicContact CD1-CG2 4.01Å; A461-T491 HydrophobicContact CB-CG2 3.99Å; Y465-T491 HydrophobicContact CD2-CG2 4.29Å; Y465-T491 HydrophobicContact CE2-CG2 4.29Å; N487-T491 VanDerWaalsContact O-CG2 3.3Å; N487-T491 WeakPolarHBondContact O-CG2 3.24Å; N487-T491 PolarHBondContact O-N 2.97Å; N487-T491 PolarHBondContact O-OG1 3.42Å; L488-T491 WeakPolarHBondContact CA-OG1 3.22Å; L488-T491 WeakPolarHBondContact CD1-OG1 3.41Å; L488-T491 PolarHBondContact O-N 3.25Å; L488-T491 PolarHBondContact O-OG1 3.46Å; T491-T495 WeakPolarHBondContact O-CB 3.44Å; T491-T495 VanDerWaalsContact O-CG2 3.25Å; T491-T495 WeakPolarHBondContact O-CG2 3.41Å; T491-T495 PolarHBondContact O-N 2.87Å; T491-T495 VanDerWaalsContact O-N 3.08Å; T491-T495 PolarHBondContact O-OG1 3.22Å
492Y96.8Very high95.3Very high19 Ų1941.7 Ų41.78%0.07521%0.212CC..Hα-helixtrans-64.3-49.4172.7-79.4-36.5000111.8E466 L488 C489 V490 M494 T495 S496 Q497 Y500 A501E466-Y492 WeakPolarHBondContact CG-OH 3.34Å; E466-Y492 WeakPolarHBondContact OE1-CE1 3.48Å; E466-Y492 PolarHBondContact OE1-OH 3.06Å; L488-Y492 HydrophobicContact CD1-CD2 4.16Å; L488-Y492 HydrophobicContact CD1-CE1 4.22Å; L488-Y492 HydrophobicContact CD1-CE2 3.81Å; L488-Y492 HydrophobicContact CD2-CD2 4.44Å; L488-Y492 HydrophobicContact CD2-CE2 3.64Å; L488-Y492 HydrophobicContact CG-CD2 3.9Å; L488-Y492 HydrophobicContact CG-CE2 3.56Å; L488-Y492 PolarHBondContact O-N 3.01Å; C489-Y492 PolarHBondContact O-N 2.69Å; V490-Y492 VanDerWaalsContact C-N 3.27Å; V490-Y492 PolarHBondContact O-N 3.14Å; Y492-M494 VanDerWaalsContact C-N 3.34Å; Y492-M494 PolarHBondContact O-N 3Å; Y492-T495 CarbonylContact O-C 3.35Å; Y492-T495 PolarHBondContact O-N 3.27Å; Y492-T495 VanDerWaalsContact O-N 3.14Å; Y492-T495 PolarHBondContact O-OG1 3.35Å; Y492-S496 PolarHBondContact O-N 3.31Å; Y492-Q497 HydrophobicContact CD1-CB 3.75Å; Y492-Q497 HydrophobicContact CG-CB 4.28Å; Y492-Q497 WeakPolarHBondContact O-CA 3.28Å; Y492-Q497 WeakPolarHBondContact O-CB 3.32Å; Y492-Q497 PolarHBondContact O-N 2.93Å; Y492-Y500 HydrophobicContact CE1-CG 4.34Å; Y492-A501 HydrophobicContact CD2-CB 4.49Å
493I94.7Very high95.4Very high26 Ų2646 Ų4613%0.13323%0.231CC..Hα-helixtrans-58-48.2178.2-68.2164000111C489 V490 T495 S496 N498 A501 I563 Y567C489-I493 VanDerWaalsContact O-CG1 3.3Å; C489-I493 WeakPolarHBondContact O-CG1 3.48Å; C489-I493 PolarHBondContact O-N 3.48Å; V490-I493 PolarHBondContact O-N 3.43Å; I493-T495 PolarHBondContact O-N 3.44Å; I493-S496 PolarHBondContact O-N 3.13Å; I493-N498 WeakPolarHBondContact CA-OD1 3.44Å; I493-A501 HydrophobicContact CD1-CB 4.42Å; I493-A501 HydrophobicContact CG1-CB 3.92Å; I493-I563 HydrophobicContact CD1-CD1 3.94Å; I493-I563 HydrophobicContact CD1-CG1 4.02Å; I493-I563 HydrophobicContact CD1-CG2 4.12Å; I493-Y567 HydrophobicContact CG2-CE2 4.14Å; I493-Y567 WeakPolarHBondContact CG2-OH 3.37Å
494M93.6Very high95.4Very high70 Ų7042.8 Ų42.835%0.34522%0.215SC..Hα-helixtrans-70.9-14.7-177.7-65.2-56.5-66.900113.5Y458 V490 Y492 L566Y458-M494 HydrophobicContact CD1-CB 4.44Å; Y458-M494 HydrophobicContact CD2-CB 3.43Å; Y458-M494 VanDerWaalsContact CD2-CB 3.43Å; Y458-M494 HydrophobicContact CD2-CE 4.32Å; Y458-M494 HydrophobicContact CD2-CG 3.93Å; Y458-M494 HydrophobicContact CE1-CG 4.5Å; Y458-M494 HydrophobicContact CE2-CB 3.81Å; Y458-M494 HydrophobicContact CE2-CE 3.7Å; Y458-M494 HydrophobicContact CE2-CG 3.77Å; Y458-M494 HydrophobicContact CG-CB 3.78Å; Y458-M494 HydrophobicContact CG-CG 4.34Å; V490-M494 HydrophobicContact CG1-CG 3.99Å; V490-M494 WeakPolarHBondContact O-CB 3.33Å; V490-M494 VanDerWaalsContact O-CG 3.28Å; V490-M494 WeakPolarHBondContact O-CG 3.48Å; V490-M494 PolarHBondContact O-N 2.78Å; Y492-M494 VanDerWaalsContact C-N 3.34Å; Y492-M494 PolarHBondContact O-N 3Å; M494-L566 HydrophobicContact CG-CD2 4.19Å; M494-L566 HydrophobicContact SD-CD1 4.27Å; M494-L566 HydrophobicContact SD-CD2 3.96Å; M494-L566 HydrophobicContact SD-CG 4.5Å
495T94.8Very high95.4Very high37 Ų3742.7 Ų42.723%0.22721%0.214CC..THydrogen-bonded Turntrans-103.915.817359.20000112.9K459 T491 Y492 I493 Q497K459-T495 HydrophobicContact CB-CG2 4.03Å; T491-T495 WeakPolarHBondContact O-CB 3.44Å; T491-T495 VanDerWaalsContact O-CG2 3.25Å; T491-T495 WeakPolarHBondContact O-CG2 3.41Å; T491-T495 PolarHBondContact O-N 2.87Å; T491-T495 VanDerWaalsContact O-N 3.08Å; T491-T495 PolarHBondContact O-OG1 3.22Å; Y492-T495 CarbonylContact O-C 3.35Å; Y492-T495 PolarHBondContact O-N 3.27Å; Y492-T495 VanDerWaalsContact O-N 3.14Å; Y492-T495 PolarHBondContact O-OG1 3.35Å; I493-T495 PolarHBondContact O-N 3.44Å; T495-Q497 PolarHBondContact O-N 2.89Å; T495-Q497 PolarHBondContact OG1-NE2 3.05Å
496S94.3Very high95.4Very high107 Ų10750 Ų5075%0.74824%0.242SC*.THydrogen-bonded Turntrans60.625.2-179.5-54.80000114.3Y492 I493 N498Y492-S496 PolarHBondContact O-N 3.31Å; I493-S496 PolarHBondContact O-N 3.13Å; S496-N498 VanDerWaalsContact C-N 3.35Å; S496-N498 PolarHBondContact O-N 3.34Å
497Q94.7Very high95.4Very high61 Ų6152.4 Ų52.429%0.28525%0.252SS..  trans-98.945.4178.2-78.2-174.588.300110.9Y492 T495 E499 Y500 A501Y492-Q497 HydrophobicContact CD1-CB 3.75Å; Y492-Q497 HydrophobicContact CG-CB 4.28Å; Y492-Q497 WeakPolarHBondContact O-CA 3.28Å; Y492-Q497 WeakPolarHBondContact O-CB 3.32Å; Y492-Q497 PolarHBondContact O-N 2.93Å; T495-Q497 PolarHBondContact O-N 2.89Å; T495-Q497 PolarHBondContact OG1-NE2 3.05Å; Q497-E499 PolarHBondContact O-N 3.24Å; Q497-Y500 HydrophobicContact CB-CD2 3.95Å; Q497-Y500 HydrophobicContact CG-CD2 4.19Å; Q497-Y500 PolarHBondContact O-N 3.33Å; Q497-Y500 VanDerWaalsContact O-N 3.12Å; Q497-A501 PolarHBondContact O-N 2.88Å
498N94.1Very high95.3Very high88 Ų8852 Ų5247%0.47125%0.25SC..Hα-helixtrans-59.6-32.4-171.5-65.9-28.9000113.7I493 S496 Y500 A501 E502I493-N498 WeakPolarHBondContact CA-OD1 3.44Å; S496-N498 VanDerWaalsContact C-N 3.35Å; S496-N498 PolarHBondContact O-N 3.34Å; N498-Y500 VanDerWaalsContact C-N 3.32Å; N498-Y500 PolarHBondContact O-N 3.49Å; N498-A501 PolarHBondContact O-N 2.95Å; N498-E502 WeakPolarHBondContact O-CB 3.49Å; N498-E502 PolarHBondContact O-N 3.49Å
499E96.3Very high95.2Very high169 Ų16954.6 Ų54.679%0.7926%0.262SS*.Hα-helixtrans-61.2-40.8178.2-64.8179.5178.200111.8Q497 E502 E503Q497-E499 PolarHBondContact O-N 3.24Å; E499-E502 PolarHBondContact O-N 3.34Å; E499-E503 WeakPolarHBondContact O-CB 3.42Å; E499-E503 PolarHBondContact O-N 3.39Å
500Y95.5Very high95.1Very high121 Ų12160.3 Ų60.348%0.47529%0.287SS..Hα-helixtrans-70.7-37.3178-67.4-67.8000112.7Y492 Q497 N498 E502 L504Y492-Y500 HydrophobicContact CE1-CG 4.34Å; Q497-Y500 HydrophobicContact CB-CD2 3.95Å; Q497-Y500 HydrophobicContact CG-CD2 4.19Å; Q497-Y500 PolarHBondContact O-N 3.33Å; Q497-Y500 VanDerWaalsContact O-N 3.12Å; N498-Y500 VanDerWaalsContact C-N 3.32Å; N498-Y500 PolarHBondContact O-N 3.49Å; Y500-E502 VanDerWaalsContact C-N 3.34Å; Y500-L504 WeakPolarHBondContact O-CB 3.17Å; Y500-L504 PolarHBondContact O-N 3.38Å
501A95.1Very high95Very high3 Ų361.3 Ų61.33%0.02529%0.292CS..Hα-helixtrans-61.6-46.1173.600000110.9C489 Y492 I493 Q497 N498 L504 M505C489-A501 HydrophobicContact CB-CB 4.49Å; Y492-A501 HydrophobicContact CD2-CB 4.49Å; I493-A501 HydrophobicContact CD1-CB 4.42Å; I493-A501 HydrophobicContact CG1-CB 3.92Å; Q497-A501 PolarHBondContact O-N 2.88Å; N498-A501 PolarHBondContact O-N 2.95Å; A501-L504 PolarHBondContact O-N 3.27Å; A501-M505 WeakPolarHBondContact O-CB 3.49Å; A501-M505 VanDerWaalsContact O-CG 3.22Å; A501-M505 WeakPolarHBondContact O-CG 3.38Å; A501-M505 PolarHBondContact O-N 3.32Å
502E95.5Very high94.8Very high68 Ų6861.8 Ų61.832%0.31829%0.294SS..Hα-helixtrans-67.5-40.7-179.7-177.966.1-160.600112.2N498 E499 Y500 M505 R506N498-E502 WeakPolarHBondContact O-CB 3.49Å; N498-E502 PolarHBondContact O-N 3.49Å; E499-E502 PolarHBondContact O-N 3.34Å; Y500-E502 VanDerWaalsContact C-N 3.34Å; E502-M505 PolarHBondContact O-N 2.84Å; E502-R506 WeakPolarHBondContact O-CG 3.46Å; E502-R506 PolarHBondContact O-N 3.29Å; E502-R506 IonicContact OE1-CZ 3.38Å; E502-R506 IonicContact OE1-NE 3.63Å; E502-R506 PolarHBondContact OE1-NE 3.23Å; E502-R506 IonicContact OE1-NH2 3.51Å; E502-R506 PolarHBondContact OE1-NH2 3.03Å
503E95.4Very high94.6Very high99 Ų9966 Ų6646%0.46331%0.314SS..Hα-helixtrans-59.4-48.3173.3-173.9-172.3161.100111.4Y473 E499 M505 R506 K507Y473-E503 PolarHBondContact OH-OE1 3.04Å; E499-E503 WeakPolarHBondContact O-CB 3.42Å; E499-E503 PolarHBondContact O-N 3.39Å; E503-M505 PolarHBondContact O-N 3.45Å; E503-R506 PolarHBondContact O-N 3.19Å; E503-K507 PolarHBondContact O-N 3.27Å
504L95.1Very high94.4Very high5 Ų568.4 Ų68.43%0.02633%0.325CS..Hα-helixtrans-60.9-44.7178.9179.357.7000111.4I469 Y473 L477 L488 Y500 A501 K507 I508I469-L504 HydrophobicContact CG2-CD1 4.34Å; Y473-L504 HydrophobicContact CE2-CD1 4.41Å; L477-L504 HydrophobicContact CD1-CD1 3.66Å; L488-L504 HydrophobicContact CB-CD2 4.44Å; L488-L504 HydrophobicContact CD2-CD2 3.94Å; L488-L504 HydrophobicContact CG-CD2 4.25Å; Y500-L504 WeakPolarHBondContact O-CB 3.17Å; Y500-L504 PolarHBondContact O-N 3.38Å; A501-L504 PolarHBondContact O-N 3.27Å; L504-K507 PolarHBondContact O-N 3.35Å; L504-I508 HydrophobicContact CD1-CD1 4Å; L504-I508 HydrophobicContact CD1-CG1 4.41Å; L504-I508 HydrophobicContact CG-CD1 3.96Å; L504-I508 WeakPolarHBondContact O-CD1 3.49Å; L504-I508 VanDerWaalsContact O-CG1 3.29Å; L504-I508 WeakPolarHBondContact O-CG1 3.06Å; L504-I508 PolarHBondContact O-N 3.06Å
505M95.5Very high94.1Very high12 Ų1266.4 Ų66.46%0.05932%0.315CS..Hα-helixtrans-63.1-45.5178.5-73.2178.169.900112.4A501 E502 E503 K507 I508 E509 L556 I559 N560 I563A501-M505 WeakPolarHBondContact O-CB 3.49Å; A501-M505 VanDerWaalsContact O-CG 3.22Å; A501-M505 WeakPolarHBondContact O-CG 3.38Å; A501-M505 PolarHBondContact O-N 3.32Å; E502-M505 PolarHBondContact O-N 2.84Å; E503-M505 PolarHBondContact O-N 3.45Å; M505-K507 VanDerWaalsContact C-N 3.28Å; M505-K507 PolarHBondContact O-N 2.88Å; M505-I508 PolarHBondContact O-N 2.84Å; M505-E509 WeakPolarHBondContact O-CB 3.36Å; M505-E509 PolarHBondContact O-N 3.5Å; M505-L556 HydrophobicContact CE-CD1 4.27Å; M505-I559 HydrophobicContact CE-CG2 4.05Å; M505-I559 HydrophobicContact CG-CG2 3.98Å; M505-I559 HydrophobicContact SD-CG2 4.1Å; M505-N560 WeakPolarHBondContact CE-OD1 3.42Å; M505-I563 HydrophobicContact CE-CD1 4.03Å; M505-I563 HydrophobicContact SD-CD1 3.57Å; M505-I563 VanDerWaalsContact SD-CD1 3.57Å
506R96Very high93.6Very high153 Ų15366.7 Ų66.758%0.57731%0.314SS*.Hα-helixtrans-61.7-37.5177.1-73.4177.7-163.51664.8112.4E502 E503 K510E502-R506 WeakPolarHBondContact O-CG 3.46Å; E502-R506 PolarHBondContact O-N 3.29Å; E502-R506 IonicContact OE1-CZ 3.38Å; E502-R506 IonicContact OE1-NE 3.63Å; E502-R506 PolarHBondContact OE1-NE 3.23Å; E502-R506 IonicContact OE1-NH2 3.51Å; E502-R506 PolarHBondContact OE1-NH2 3.03Å; E503-R506 PolarHBondContact O-N 3.19Å; R506-K510 WeakPolarHBondContact O-CB 3.31Å; R506-K510 PolarHBondContact O-N 3.45Å
507K95Very high93.3Very high51 Ų5168 Ų6822%0.22231%0.308CS..Hα-helixtrans-66.5-41.3176.7-177.6170.7161.549.30111.7Y473 L477 E503 L504 M505 K510 E511Y473-K507 HydrophobicContact CD2-CD 4.27Å; Y473-K507 HydrophobicContact CE1-CD 4.01Å; Y473-K507 HydrophobicContact CE2-CD 3.7Å; Y473-K507 WeakPolarHBondContact O-CE 3.48Å; Y473-K507 PolarHBondContact O-NZ 3.01Å; L477-K507 HydrophobicContact CD1-CB 4.32Å; L477-K507 HydrophobicContact CD1-CD 3.73Å; L477-K507 HydrophobicContact CD1-CG 3.8Å; E503-K507 PolarHBondContact O-N 3.27Å; L504-K507 PolarHBondContact O-N 3.35Å; M505-K507 VanDerWaalsContact C-N 3.28Å; M505-K507 PolarHBondContact O-N 2.88Å; K507-K510 PolarHBondContact O-N 3.14Å; K507-E511 WeakPolarHBondContact CE-OE1 3.14Å; K507-E511 IonicContact NZ-OE1 3.28Å; K507-E511 PolarHBondContact NZ-OE1 2.94Å; K507-E511 WeakPolarHBondContact O-CG 3.3Å; K507-E511 PolarHBondContact O-N 3.03Å
508I94.8Very high92.7Very high0 Ų070.8 Ų70.80%032%0.321CS..Hα-helixtrans-65.2-45176-66.7163.7000110.7L477 L478 L485 L504 M505 K510 E511 E512 H555 L556 I559L477-I508 HydrophobicContact CB-CG1 4.36Å; L477-I508 HydrophobicContact CD1-CG1 3.87Å; L478-I508 HydrophobicContact CD2-CG2 4.2Å; L485-I508 HydrophobicContact CB-CD1 4.08Å; L485-I508 HydrophobicContact CD1-CD1 3.6Å; L485-I508 HydrophobicContact CD1-CG1 4.16Å; L485-I508 HydrophobicContact CD2-CD1 4.44Å; L485-I508 HydrophobicContact CG-CD1 4.25Å; L504-I508 HydrophobicContact CD1-CD1 4Å; L504-I508 HydrophobicContact CD1-CG1 4.41Å; L504-I508 HydrophobicContact CG-CD1 3.96Å; L504-I508 WeakPolarHBondContact O-CD1 3.49Å; L504-I508 VanDerWaalsContact O-CG1 3.29Å; L504-I508 WeakPolarHBondContact O-CG1 3.06Å; L504-I508 PolarHBondContact O-N 3.06Å; M505-I508 PolarHBondContact O-N 2.84Å; I508-K510 VanDerWaalsContact C-N 3.32Å; I508-K510 PolarHBondContact O-N 3.45Å; I508-E511 PolarHBondContact O-N 3.04Å; I508-E512 HydrophobicContact CG2-CG 4.44Å; I508-E512 WeakPolarHBondContact O-CG 3.39Å; I508-E512 PolarHBondContact O-N 3Å; I508-H555 HydrophobicContact CG2-CB 3.79Å; I508-L556 HydrophobicContact CG2-CB 4.43Å; I508-I559 HydrophobicContact CD1-CD1 3.4Å; I508-I559 HydrophobicContact CG2-CD1 4.33Å
509E94Very high91.9Very high58 Ų5869.5 Ų69.527%0.27131%0.312SS..Hα-helixtrans-54.6-49.3175.1-173.3167.3-14000110.7M505 E511 E512 E513 L556 K582M505-E509 WeakPolarHBondContact O-CB 3.36Å; M505-E509 PolarHBondContact O-N 3.5Å; E509-E511 PolarHBondContact O-N 2.88Å; E509-E512 PolarHBondContact O-N 2.91Å; E509-E513 WeakPolarHBondContact O-CG 3.42Å; E509-E513 PolarHBondContact O-N 3.47Å; E509-L556 HydrophobicContact CB-CD2 3.77Å; E509-L556 HydrophobicContact CG-CD2 3.7Å; E509-K582 IonicContact OE1-NZ 3.61Å
510K94.3Very high91Very high120 Ų12066.2 Ų66.252%0.52230%0.297SS..Hα-helixtrans-61.4-42.4176.5-167.5-175.5-175.4-128.30113.3R506 K507 I508 E513 E514R506-K510 WeakPolarHBondContact O-CB 3.31Å; R506-K510 PolarHBondContact O-N 3.45Å; K507-K510 PolarHBondContact O-N 3.14Å; I508-K510 VanDerWaalsContact C-N 3.32Å; I508-K510 PolarHBondContact O-N 3.45Å; K510-E513 PolarHBondContact O-N 3.28Å; K510-E514 WeakPolarHBondContact CE-OE1 3.39Å; K510-E514 HydrophobicContact CG-CG 4.46Å; K510-E514 IonicContact NZ-OE1 3.09Å; K510-E514 PolarHBondContact NZ-OE1 3.21Å; K510-E514 WeakPolarHBondContact O-CB 3.49Å; K510-E514 VanDerWaalsContact O-CG 3.28Å; K510-E514 WeakPolarHBondContact O-CG 3.18Å; K510-E514 PolarHBondContact O-N 3.39Å
511E93.7Very high90.1Very high20 Ų2066.8 Ų66.89%0.09331%0.307CS..Hα-helixtrans-68-34.5177.8-75.3-177-152.500112.4L477 L478 K507 I508 E509 Q515L477-E511 WeakPolarHBondContact CB-OE2 3.47Å; L477-E511 PolarHBondContact N-OE2 3Å; L478-E511 HydrophobicContact CD1-CB 4.04Å; L478-E511 HydrophobicContact CG-CB 4.05Å; K507-E511 WeakPolarHBondContact CE-OE1 3.14Å; K507-E511 IonicContact NZ-OE1 3.28Å; K507-E511 PolarHBondContact NZ-OE1 2.94Å; K507-E511 WeakPolarHBondContact O-CG 3.3Å; K507-E511 PolarHBondContact O-N 3.03Å; I508-E511 PolarHBondContact O-N 3.04Å; E509-E511 PolarHBondContact O-N 2.88Å; E511-Q515 WeakPolarHBondContact O-CB 3.37Å; E511-Q515 PolarHBondContact O-N 3.22Å; E511-Q515 VanDerWaalsContact O-N 3.12Å
512E92.1Very high88.6Confident10 Ų1072.9 Ų72.95%0.04734%0.335CS..Hα-helixtrans-66.4-45.7173.1-71.1-168163.300111.2L478 I508 E509 Q515 E516 L553 H555 L556L478-E512 HydrophobicContact CD1-CG 4.26Å; L478-E512 HydrophobicContact CD2-CG 3.68Å; I508-E512 HydrophobicContact CG2-CG 4.44Å; I508-E512 WeakPolarHBondContact O-CG 3.39Å; I508-E512 PolarHBondContact O-N 3Å; E509-E512 PolarHBondContact O-N 2.91Å; E512-Q515 PolarHBondContact O-N 3.37Å; E512-E516 WeakPolarHBondContact O-CG 3.37Å; E512-E516 PolarHBondContact O-N 2.8Å; E512-L553 HydrophobicContact CB-CD1 4.14Å; E512-L553 HydrophobicContact CG-CB 4.04Å; E512-L553 HydrophobicContact CG-CD1 4.23Å; E512-H555 WeakPolarHBondContact OE1-CA 3.36Å; E512-H555 VanDerWaalsContact OE1-CB 3.26Å; E512-H555 WeakPolarHBondContact OE1-CB 3.35Å; E512-H555 PolarHBondContact OE1-N 3.18Å; E512-L556 PolarHBondContact OE1-N 3.11Å; E512-L556 VanDerWaalsContact OE2-CB 3.28Å; E512-L556 WeakPolarHBondContact OE2-CB 3.35Å
513E91.4Very high86.7Confident108 Ų10875.9 Ų75.951%0.50534%0.343SS..Hα-helixtrans-59.3-49.7175.8-72.3174.1175.600111.8E509 K510 Q515 E516 E517E509-E513 WeakPolarHBondContact O-CG 3.42Å; E509-E513 PolarHBondContact O-N 3.47Å; K510-E513 PolarHBondContact O-N 3.28Å; E513-Q515 VanDerWaalsContact C-N 3.28Å; E513-Q515 PolarHBondContact O-N 3.22Å; E513-E516 PolarHBondContact O-N 2.8Å; E513-E517 WeakPolarHBondContact O-CG 3.45Å; E513-E517 PolarHBondContact O-N 2.99Å
514E91.1Very high84.5Confident77 Ų7773.8 Ų73.836%0.3635%0.348SS..Hα-helixtrans-59.9-36.8178.7-74.7174.1-173.600111.9K510 Q518K510-E514 WeakPolarHBondContact CE-OE1 3.39Å; K510-E514 HydrophobicContact CG-CG 4.46Å; K510-E514 IonicContact NZ-OE1 3.09Å; K510-E514 PolarHBondContact NZ-OE1 3.21Å; K510-E514 WeakPolarHBondContact O-CB 3.49Å; K510-E514 VanDerWaalsContact O-CG 3.28Å; K510-E514 WeakPolarHBondContact O-CG 3.18Å; K510-E514 PolarHBondContact O-N 3.39Å; E514-Q518 WeakPolarHBondContact O-CG 3.27Å; E514-Q518 PolarHBondContact O-N 3.29Å; E514-Q518 PolarHBondContact O-NE2 3.08Å
515Q87.5Confident82.2Confident28 Ų2878.1 Ų78.113%0.13138%0.375CS..Hα-helixtrans-75-39.7176.7-177.4172.7-28.300112.3L478 E511 E512 E513 E517 Q518 E519 L553L478-Q515 HydrophobicContact CD1-CB 4.4Å; E511-Q515 WeakPolarHBondContact O-CB 3.37Å; E511-Q515 PolarHBondContact O-N 3.22Å; E511-Q515 VanDerWaalsContact O-N 3.12Å; E512-Q515 PolarHBondContact O-N 3.37Å; E513-Q515 VanDerWaalsContact C-N 3.28Å; E513-Q515 PolarHBondContact O-N 3.22Å; Q515-E517 VanDerWaalsContact C-N 3.34Å; Q515-Q518 PolarHBondContact O-N 2.98Å; Q515-E519 PolarHBondContact NE2-OE1 3.48Å; Q515-E519 WeakPolarHBondContact O-CG 3.4Å; Q515-E519 PolarHBondContact O-N 3.43Å; Q515-L553 HydrophobicContact CB-CD1 3.84Å; Q515-L553 HydrophobicContact CG-CD1 3.94Å
516E84.9Confident79.5Confident43 Ų4381.6 Ų81.620%0.20139%0.394CS..Hα-helixtrans-62.2-42174.8-73-168.7-168.200111.2E512 E513 Q518 E519 E520 L553 K589 K590E512-E516 WeakPolarHBondContact O-CG 3.37Å; E512-E516 PolarHBondContact O-N 2.8Å; E513-E516 PolarHBondContact O-N 2.8Å; E516-Q518 PolarHBondContact O-N 3.4Å; E516-E519 PolarHBondContact O-N 3.47Å; E516-E520 WeakPolarHBondContact O-CG 3.46Å; E516-E520 PolarHBondContact O-N 3.06Å; E516-L553 HydrophobicContact CG-CD1 4.13Å; E516-K589 IonicContact OE2-NZ 3.23Å; E516-K589 PolarHBondContact OE2-NZ 3.05Å; E516-K590 IonicContact OE1-NZ 2.75Å; E516-K590 PolarHBondContact OE1-NZ 2.96Å
517E86.7Confident76.4Confident133 Ų13376.6 Ų76.662%0.62139%0.39SS*.Hα-helixtrans-61.3-41.8174.7-74.3-179.2178.600112.4E513 Q515 E520 L521E513-E517 WeakPolarHBondContact O-CG 3.45Å; E513-E517 PolarHBondContact O-N 2.99Å; Q515-E517 VanDerWaalsContact C-N 3.34Å; E517-E520 PolarHBondContact O-N 3.12Å; E517-L521 WeakPolarHBondContact O-CB 3.49Å; E517-L521 PolarHBondContact O-N 3.31Å
518Q82.7Confident73.2Confident121 Ų12181.5 Ų81.557%0.56542%0.419SS*.Hα-helixtrans-63.7-41.3176.2-74.51692700111.9E514 Q515 E516 E520 L521 H522E514-Q518 WeakPolarHBondContact O-CG 3.27Å; E514-Q518 PolarHBondContact O-N 3.29Å; E514-Q518 PolarHBondContact O-NE2 3.08Å; Q515-Q518 PolarHBondContact O-N 2.98Å; E516-Q518 PolarHBondContact O-N 3.4Å; Q518-E520 VanDerWaalsContact C-N 3.34Å; Q518-L521 PolarHBondContact O-N 3.46Å; Q518-H522 PolarHBondContact O-N 3.29Å
519E77.4Confident70.1Confident61 Ų6187.5 Ų87.529%0.28546%0.455SS..Hα-helixtrans-70-27.6176.6-72.2176.8-163.600112.8Q515 E516 R523Q515-E519 PolarHBondContact NE2-OE1 3.48Å; Q515-E519 WeakPolarHBondContact O-CG 3.4Å; Q515-E519 PolarHBondContact O-N 3.43Å; E516-E519 PolarHBondContact O-N 3.47Å; E519-R523 WeakPolarHBondContact O-CG 3.36Å; E519-R523 PolarHBondContact O-N 3.08Å; E519-R523 PolarHBondContact O-NE 3.45Å
520E78.4Confident66.9Low100 Ų10092.8 Ų92.847%0.46749%0.485SS..Hα-helixtrans-79.1-38.1173.2-74-178.4-176.200112.1E516 E517 Q518 R523 G524 K589E516-E520 WeakPolarHBondContact O-CG 3.46Å; E516-E520 PolarHBondContact O-N 3.06Å; E517-E520 PolarHBondContact O-N 3.12Å; Q518-E520 VanDerWaalsContact C-N 3.34Å; E520-R523 WeakPolarHBondContact O-CB 3.31Å; E520-R523 PolarHBondContact O-N 3.06Å; E520-G524 PolarHBondContact O-N 3.26Å; E520-G524 VanDerWaalsContact O-N 3.15Å; E520-K589 IonicContact OE1-NZ 2.59Å
521L75.9Confident63.7Low132 Ų13289.8 Ų89.869%0.69149%0.489SS*.Hα-helixtrans-64-42.5175.3-17172.5000111.6E517 Q518 R523 G524 T525E517-L521 WeakPolarHBondContact O-CB 3.49Å; E517-L521 PolarHBondContact O-N 3.31Å; Q518-L521 PolarHBondContact O-N 3.46Å; L521-R523 VanDerWaalsContact C-N 3.25Å; L521-R523 PolarHBondContact O-N 3.23Å; L521-G524 PolarHBondContact O-N 3.32Å; L521-G524 VanDerWaalsContact O-N 3.14Å; L521-T525 PolarHBondContact O-N 3.34Å; L521-T525 PolarHBondContact O-OG1 3.31Å
522H63.6Low60.4Low131 Ų13195 Ų9561%0.60652%0.522SS*.Hα-helixtrans-60.8-35174.5-111.275.1000112.3Q518 T525 D526Q518-H522 PolarHBondContact O-N 3.29Å; H522-T525 PolarHBondContact O-N 3Å; H522-T525 PolarHBondContact O-OG1 3.36Å; H522-D526 PolarHBondContact O-N 3.18Å
523R54.8Low57.5Low131 Ų131101.6 Ų101.649%0.49456%0.562SS.*Hα-helixtrans-66.3-36.1174.6-79.7-178.8-103.8-176.2-5.1112.9E519 E520 L521 T525 D526 G527E519-R523 WeakPolarHBondContact O-CG 3.36Å; E519-R523 PolarHBondContact O-N 3.08Å; E519-R523 PolarHBondContact O-NE 3.45Å; E520-R523 WeakPolarHBondContact O-CB 3.31Å; E520-R523 PolarHBondContact O-N 3.06Å; L521-R523 VanDerWaalsContact C-N 3.25Å; L521-R523 PolarHBondContact O-N 3.23Å; R523-T525 VanDerWaalsContact C-N 3.25Å; R523-T525 PolarHBondContact O-N 2.9Å; R523-D526 PolarHBondContact O-N 3.36Å; R523-G527 PolarHBondContact O-N 3.12Å
524G50Low54.4Low55 Ų55103.3 Ų103.357%0.56758%0.575SS**Hα-helixtrans-66.2-26178.200000113.7E520 L521E520-G524 PolarHBondContact O-N 3.26Å; E520-G524 VanDerWaalsContact O-N 3.15Å; L521-G524 PolarHBondContact O-N 3.32Å; L521-G524 VanDerWaalsContact O-N 3.14Å
525T46.6Very low51.3Low97 Ų97106.7 Ų106.760%0.59560%0.595SS**Hα-helixtrans-87.2-22.9177.842.70000114.2L521 H522 R523L521-T525 PolarHBondContact O-N 3.34Å; L521-T525 PolarHBondContact O-OG1 3.31Å; H522-T525 PolarHBondContact O-N 3Å; H522-T525 PolarHBondContact O-OG1 3.36Å; R523-T525 VanDerWaalsContact C-N 3.25Å; R523-T525 PolarHBondContact O-N 2.9Å
526D38.3Very low48.4Very low84 Ų84113.3 Ų113.345%0.44963%0.626SS.*Hα-helixtrans-88.7-12.6179-79.4-37.9000113.7H522 R523 D528 R546H522-D526 PolarHBondContact O-N 3.18Å; R523-D526 PolarHBondContact O-N 3.36Å; D526-D528 PolarHBondContact O-N 2.99Å; D526-R546 IonicContact OD1-CZ 2.77Å; D526-R546 IonicContact OD1-NH1 3.38Å; D526-R546 PolarHBondContact OD1-NH1 2.9Å; D526-R546 IonicContact OD2-NH1 3.75Å; D526-R546 PolarHBondContact OD2-NH1 3.1Å; D526-R546 VanDerWaalsContact OD2-NH1 3.1Å
527G31.5Very low45.8Very low48 Ų48119.5 Ų119.550%0.49565%0.654SS.*THydrogen-bonded Turntrans-79.9-4.1-17600000116.6R523R523-G527 PolarHBondContact O-N 3.12Å
528D27.9Very low42.9Very low154 Ų154122.1 Ų122.182%0.82467%0.666SS**THydrogen-bonded Turntrans-98.120.1-176.8-82.7-24.6000113.9D526D526-D528 PolarHBondContact O-N 2.99Å
529V29.3Very low40.3Very low127 Ų127123.3 Ų123.377%0.7768%0.676SS**  trans-122.739.6173.7-155.50000112.3G531V529-G531 VanDerWaalsContact C-N 3.29Å; V529-G531 PolarHBondContact O-N 3.35Å
530D27.3Very low38.1Very low168 Ų168128.7 Ų128.790%0.89871%0.707SS**  trans-86.874.5161.9-82.1-24000109.4
531G25.9Very low35.9Very low58 Ų58130.7 Ų130.760%0.59872%0.721SS**  trans-121.391.7178.200000111.9V529V529-G531 VanDerWaalsContact C-N 3.29Å; V529-G531 PolarHBondContact O-N 3.35Å
532V24.3Very low33.7Very low130 Ų130129.2 Ų129.279%0.78872%0.717SS**  trans66.596.9160.2-163.70000115.6
533V31.4Very low31.9Very low148 Ų148130.7 Ų130.790%0.89773%0.728SS**  trans-122.8112.7157.1-1670000108.1
534D26.3Very low30.7Very low144 Ų144131 Ų13177%0.7774%0.739SS**  trans-61.9136.4175.8-87.4-42.8000110.7H536D534-H536 PolarHBondContact O-N 3.46Å
535D27Very low29.8Very low147 Ų147131 Ų13179%0.78673%0.731SS**  trans-48.1125.2166-76-46.3000109.8
536H26.5Very low29.2Very low168 Ų168134 Ų13478%0.77873%0.731SS**  trans161.992.9141.5-83.116.4000110.8D534D534-H536 PolarHBondContact O-N 3.46Å
537H29.2Very low28.9Very low172 Ų172137.9 Ų137.980%0.79675%0.746SS**  162.2127.2125.7-85.435.7000109.5D539H537-D539 PolarHBondContact O-N 3.22Å
538H26.3Very low29.1Very low189 Ų189144 Ų14488%0.87576%0.761SS**  trans-74108.3171.9-73.6-6.3000108.9
539D28.4Very low29.6Very low145 Ų145140.2 Ų140.278%0.77575%0.747SS**  trans-145.6113.9150-82-41.2000105.5H537 D541H537-D539 PolarHBondContact O-N 3.22Å; D539-D541 PolarHBondContact O-N 3.14Å; D539-D541 VanDerWaalsContact O-N 3.11Å
540D30.6Very low30.6Very low175 Ų175141.5 Ų141.594%0.93674%0.742SS**  trans-75.716.1-173.9-86.2-33.6000113.5
541D33Very low31.9Very low142 Ų142140.3 Ų140.376%0.75973%0.729SS**  trans-121.2140175.9-72.8-44.3000108.7D539D539-D541 PolarHBondContact O-N 3.14Å; D539-D541 VanDerWaalsContact O-N 3.11Å
542V28.9Very low33.9Very low100 Ų100143.5 Ų143.561%0.60673%0.726SS**  trans91.156.5-176.6-158.10000115.2
543I26.5Very low36.7Very low163 Ų163137.7 Ų137.784%0.83669%0.691SS**  trans-113.573.2139.7-57.3176.9000105.9
544L30.3Very low39.5Very low136 Ų136133.1 Ų133.171%0.71266%0.659SS**  trans-111.44-171.5-90.2167.7000115.1
545S30.9Very low42.7Very low57 Ų57127.3 Ų127.340%0.39963%0.627SS.*SBendtrans-99.3118.3172.658.60000111
546R33.8Very low46Very low159 Ų159121.2 Ų121.260%0.660%0.595SS**  trans93.829.5178.3-54.5-174177.9-169.22.9118.4D526 H548D526-R546 IonicContact OD1-CZ 2.77Å; D526-R546 IonicContact OD1-NH1 3.38Å; D526-R546 PolarHBondContact OD1-NH1 2.9Å; D526-R546 IonicContact OD2-NH1 3.75Å; D526-R546 PolarHBondContact OD2-NH1 3.1Å; D526-R546 VanDerWaalsContact OD2-NH1 3.1Å; R546-H548 PolarHBondContact O-N 3.31Å
547H31.6Very low49.2Very low166 Ų166113.4 Ų113.477%0.76956%0.559SS**  trans-72.774138.8-79.3-34.2000109S549H547-S549 PolarHBondContact O-N 3Å
548H35Very low52.4Low175 Ų175107.8 Ų107.881%0.8153%0.534SS*.  trans-54.199.9134-90.83.3000103.8R546 K550R546-H548 PolarHBondContact O-N 3.31Å; H548-K550 VanDerWaalsContact C-N 3.34Å; H548-K550 PolarHBondContact O-N 3.47Å
549S39.7Very low55.7Low76 Ų7698.8 Ų98.853%0.53149%0.492SS..  trans-42.7109170.1167.80000105H547 K551H547-S549 PolarHBondContact O-N 3Å; S549-K551 PolarHBondContact O-N 3.47Å
550K50Low59Low154 Ų15492 Ų9267%0.6746%0.456SS*.  trans-5693.8175.5-77.5175.6179169.10104H548 K552H548-K550 VanDerWaalsContact C-N 3.34Å; H548-K550 PolarHBondContact O-N 3.47Å; K550-K552 PolarHBondContact O-N 3.09Å
551K55.5Low62.2Low142 Ų14284 Ų8462%0.61741%0.413SS*.  trans-73.583.7-174.9-171.3178.2-175.6175.80105.1S549 L553S549-K551 PolarHBondContact O-N 3.47Å; K551-L553 PolarHBondContact O-N 2.93Å
552K67.6Low65.2Low125 Ų12578.5 Ų78.554%0.54339%0.385SS..  trans-51.7116.4-178.2-72-174.1178.8-1740107K550 F554K550-K552 PolarHBondContact O-N 3.09Å; K552-F554 HydrophobicContact CB-CD2 3.65Å; K552-F554 HydrophobicContact CB-CE2 3.19Å; K552-F554 HydrophobicContact CB-CZ 3.89Å; K552-F554 HydrophobicContact CD-CE2 3.65Å; K552-F554 HydrophobicContact CD-CZ 3.68Å; K552-F554 HydrophobicContact CG-CE2 4.07Å; K552-F554 HydrophobicContact CG-CZ 4.45Å; K552-F554 WeakPolarHBondContact O-CD2 3.34Å; K552-F554 PolarHBondContact O-N 2.97Å
553L82.5Confident68.4Low9 Ų973.9 Ų73.95%0.04736%0.357CS..  trans-72.7116.1178.4-61.9176.2000107.4L478 E512 Q515 E516 K551 K590L478-L553 HydrophobicContact CD1-CD1 4.24Å; L478-L553 HydrophobicContact CD1-CD2 4.13Å; E512-L553 HydrophobicContact CB-CD1 4.14Å; E512-L553 HydrophobicContact CG-CB 4.04Å; E512-L553 HydrophobicContact CG-CD1 4.23Å; Q515-L553 HydrophobicContact CB-CD1 3.84Å; Q515-L553 HydrophobicContact CG-CD1 3.94Å; E516-L553 HydrophobicContact CG-CD1 4.13Å; K551-L553 PolarHBondContact O-N 2.93Å; L553-K590 PolarHBondContact O-NZ 3.11Å
554F90.5Very high71.8Confident52 Ų5266.1 Ų66.123%0.22832%0.317CS..  trans-120.710.1-177.6-77.6-74000111.7K552 C557 I558 K590 T595K552-F554 HydrophobicContact CB-CD2 3.65Å; K552-F554 HydrophobicContact CB-CE2 3.19Å; K552-F554 HydrophobicContact CB-CZ 3.89Å; K552-F554 HydrophobicContact CD-CE2 3.65Å; K552-F554 HydrophobicContact CD-CZ 3.68Å; K552-F554 HydrophobicContact CG-CE2 4.07Å; K552-F554 HydrophobicContact CG-CZ 4.45Å; K552-F554 WeakPolarHBondContact O-CD2 3.34Å; K552-F554 PolarHBondContact O-N 2.97Å; F554-C557 HydrophobicContact CB-CB 4.46Å; F554-C557 HydrophobicContact CD1-CB 4.04Å; F554-C557 WeakPolarHBondContact O-CB 3.43Å; F554-C557 PolarHBondContact O-N 3.26Å; F554-I558 HydrophobicContact CB-CD1 3.87Å; F554-I558 HydrophobicContact CB-CG1 4.25Å; F554-I558 VanDerWaalsContact O-CB 3.31Å; F554-I558 WeakPolarHBondContact O-CB 3.37Å; F554-I558 WeakPolarHBondContact O-CD1 3.46Å; F554-I558 WeakPolarHBondContact O-CG1 2.94Å; F554-I558 PolarHBondContact O-N 3.13Å; F554-K590 HydrophobicContact CD1-CD 4.17Å; F554-K590 HydrophobicContact CE1-CB 4.24Å; F554-K590 HydrophobicContact CE1-CD 4.22Å; F554-T595 HydrophobicContact CD1-CG2 4.18Å; F554-T595 HydrophobicContact CE1-CG2 4.01Å
555H94Very high74.9Confident21 Ų2161.9 Ų61.910%0.09730%0.297CS..Hα-helixtrans-62.5-53.6-174.9-65.470.6000110.8L478 I480 A482 I508 E512 C557 I558 I559L478-H555 HydrophobicContact CD2-CB 4.01Å; L478-H555 PolarHBondContact O-CE1 3.38Å; L478-H555 PolarHBondContact O-NE2 2.92Å; I480-H555 PolarHBondContact O-CD2 3.46Å; I480-H555 PolarHBondContact O-NE2 3.29Å; A482-H555 HydrophobicContact CB-CB 4.29Å; I508-H555 HydrophobicContact CG2-CB 3.79Å; E512-H555 WeakPolarHBondContact OE1-CA 3.36Å; E512-H555 VanDerWaalsContact OE1-CB 3.26Å; E512-H555 WeakPolarHBondContact OE1-CB 3.35Å; E512-H555 PolarHBondContact OE1-N 3.18Å; H555-C557 VanDerWaalsContact C-N 3.3Å; H555-C557 PolarHBondContact O-N 2.65Å; H555-I558 PolarHBondContact O-N 2.96Å; H555-I559 WeakPolarHBondContact O-CB 3.47Å; H555-I559 WeakPolarHBondContact O-CD1 3.27Å; H555-I559 WeakPolarHBondContact O-CG1 3.46Å; H555-I559 PolarHBondContact O-N 2.97Å
556L94.7Very high77.9Confident20 Ų2060 Ų6011%0.10528%0.283CS..Hα-helixtrans-66.5-34.7179.6-172.162000112.2M505 I508 E509 E512 N560M505-L556 HydrophobicContact CE-CD1 4.27Å; I508-L556 HydrophobicContact CG2-CB 4.43Å; E509-L556 HydrophobicContact CB-CD2 3.77Å; E509-L556 HydrophobicContact CG-CD2 3.7Å; E512-L556 PolarHBondContact OE1-N 3.11Å; E512-L556 VanDerWaalsContact OE2-CB 3.28Å; E512-L556 WeakPolarHBondContact OE2-CB 3.35Å; L556-N560 WeakPolarHBondContact O-CB 3.44Å; L556-N560 PolarHBondContact O-N 3.3Å; L556-N560 PolarHBondContact O-ND2 2.99Å
557C95.2Very high80.8Confident4 Ų454.9 Ų54.93%0.02726%0.263CS..Hα-helixtrans-58.2-56.3173.1173.80000110.8F554 H555 I559 N560 L561 S583 T595F554-C557 HydrophobicContact CB-CB 4.46Å; F554-C557 HydrophobicContact CD1-CB 4.04Å; F554-C557 WeakPolarHBondContact O-CB 3.43Å; F554-C557 PolarHBondContact O-N 3.26Å; H555-C557 VanDerWaalsContact C-N 3.3Å; H555-C557 PolarHBondContact O-N 2.65Å; C557-I559 VanDerWaalsContact C-N 3.34Å; C557-I559 PolarHBondContact O-N 2.84Å; C557-N560 PolarHBondContact O-N 3.02Å; C557-L561 WeakPolarHBondContact O-CG 3.4Å; C557-L561 PolarHBondContact O-N 3.48Å; C557-S583 WeakPolarHBondContact CB-O 3.45Å; C557-S583 WeakPolarHBondContact O-CB 3.35Å; C557-S583 PolarHBondContact SG-O 3.25Å; C557-T595 VanDerWaalsContact SG-CG2 3.54Å
558I95.7Very high83.9Confident53 Ų5347.2 Ų47.227%0.27223%0.228SC..Hα-helixtrans-61.4-41.8-179.2-70165000111A482 A486 F554 H555 L561 V562A482-I558 HydrophobicContact CB-CB 3.93Å; A482-I558 HydrophobicContact CB-CD1 3.53Å; A482-I558 HydrophobicContact CB-CG1 4.32Å; A482-I558 HydrophobicContact CB-CG2 3.94Å; A486-I558 HydrophobicContact CB-CG2 4.48Å; F554-I558 HydrophobicContact CB-CD1 3.87Å; F554-I558 HydrophobicContact CB-CG1 4.25Å; F554-I558 VanDerWaalsContact O-CB 3.31Å; F554-I558 WeakPolarHBondContact O-CB 3.37Å; F554-I558 WeakPolarHBondContact O-CD1 3.46Å; F554-I558 WeakPolarHBondContact O-CG1 2.94Å; F554-I558 PolarHBondContact O-N 3.13Å; H555-I558 PolarHBondContact O-N 2.96Å; I558-L561 PolarHBondContact O-N 2.71Å; I558-V562 HydrophobicContact CG2-CG2 4.33Å; I558-V562 WeakPolarHBondContact O-CB 3.42Å; I558-V562 VanDerWaalsContact O-CG2 3.29Å; I558-V562 WeakPolarHBondContact O-CG2 3.35Å; I558-V562 PolarHBondContact O-N 2.9Å
559I96.5Very high86.6Confident0 Ų043.8 Ų43.80%022%0.22CC..Hα-helixtrans-61-47.9177.6-67.8163.3000111L485 A486 C489 M505 I508 H555 C557 L561 V562 I563L485-I559 HydrophobicContact CB-CD1 3.89Å; L485-I559 HydrophobicContact CB-CG1 4.36Å; A486-I559 HydrophobicContact CB-CB 4.37Å; A486-I559 HydrophobicContact CB-CG1 3.83Å; C489-I559 HydrophobicContact CB-CG2 4.27Å; M505-I559 HydrophobicContact CE-CG2 4.05Å; M505-I559 HydrophobicContact CG-CG2 3.98Å; M505-I559 HydrophobicContact SD-CG2 4.1Å; I508-I559 HydrophobicContact CD1-CD1 3.4Å; I508-I559 HydrophobicContact CG2-CD1 4.33Å; H555-I559 WeakPolarHBondContact O-CB 3.47Å; H555-I559 WeakPolarHBondContact O-CD1 3.27Å; H555-I559 WeakPolarHBondContact O-CG1 3.46Å; H555-I559 PolarHBondContact O-N 2.97Å; C557-I559 VanDerWaalsContact C-N 3.34Å; C557-I559 PolarHBondContact O-N 2.84Å; I559-L561 VanDerWaalsContact C-N 3.35Å; I559-L561 PolarHBondContact O-N 3.06Å; I559-V562 PolarHBondContact O-N 3.3Å; I559-I563 HydrophobicContact CG2-CD1 3.68Å; I559-I563 HydrophobicContact CG2-CG1 4.43Å; I559-I563 WeakPolarHBondContact O-CB 3.26Å; I559-I563 VanDerWaalsContact O-CG1 3.29Å; I559-I563 WeakPolarHBondContact O-CG1 3.48Å; I559-I563 PolarHBondContact O-N 3.24Å
560N97.1Very high89.1Confident2 Ų245.2 Ų45.21%0.01122%0.217CC..Hα-helixtrans-66.8-35.5178-76.9-61000112.1M505 L556 C557 G564 R579 S583M505-N560 WeakPolarHBondContact CE-OD1 3.42Å; L556-N560 WeakPolarHBondContact O-CB 3.44Å; L556-N560 PolarHBondContact O-N 3.3Å; L556-N560 PolarHBondContact O-ND2 2.99Å; C557-N560 PolarHBondContact O-N 3.02Å; N560-G564 WeakPolarHBondContact O-CA 3.23Å; N560-G564 PolarHBondContact O-N 3.43Å; N560-R579 PolarHBondContact OD1-NH1 2.83Å; N560-S583 VanDerWaalsContact CB-CB 3.45Å
561L97.4Very high91.2Very high7 Ų739.9 Ų39.94%0.03721%0.205CC..Hα-helixtrans-60.9-47.9173.1-77.6172.8000111.7C557 I558 I559 G564 T565 I580 S583 L584 T595 A599C557-L561 WeakPolarHBondContact O-CG 3.4Å; C557-L561 PolarHBondContact O-N 3.48Å; I558-L561 PolarHBondContact O-N 2.71Å; I559-L561 VanDerWaalsContact C-N 3.35Å; I559-L561 PolarHBondContact O-N 3.06Å; L561-G564 PolarHBondContact O-N 2.88Å; L561-T565 VanDerWaalsContact O-CB 3.32Å; L561-T565 WeakPolarHBondContact O-CB 3.28Å; L561-T565 PolarHBondContact O-N 3.39Å; L561-T565 PolarHBondContact O-OG1 3.35Å; L561-I580 HydrophobicContact CD2-CD1 3.94Å; L561-I580 HydrophobicContact CD2-CG2 4.41Å; L561-S583 WeakPolarHBondContact CD2-OG 3.38Å; L561-S583 WeakPolarHBondContact CG-OG 3.43Å; L561-L584 HydrophobicContact CD2-CD1 4.21Å; L561-T595 HydrophobicContact CD1-CG2 4.1Å; L561-A599 HydrophobicContact CD2-CB 4.49Å
562V96.3Very high93Very high28 Ų2836.5 Ų36.517%0.1719%0.194CC..Hα-helixtrans-65.2-46.4-179.9169.70000111I483 A486 V490 I558 I559 T565 L566I483-V562 HydrophobicContact CD1-CG2 4.26Å; A486-V562 HydrophobicContact CB-CB 3.95Å; A486-V562 HydrophobicContact CB-CG1 4.08Å; A486-V562 HydrophobicContact CB-CG2 3.93Å; V490-V562 HydrophobicContact CG2-CG1 3.75Å; I558-V562 HydrophobicContact CG2-CG2 4.33Å; I558-V562 WeakPolarHBondContact O-CB 3.42Å; I558-V562 VanDerWaalsContact O-CG2 3.29Å; I558-V562 WeakPolarHBondContact O-CG2 3.35Å; I558-V562 PolarHBondContact O-N 2.9Å; I559-V562 PolarHBondContact O-N 3.3Å; V562-T565 PolarHBondContact O-N 3.5Å; V562-L566 PolarHBondContact O-N 2.88Å
563I96.1Very high94.4Very high2 Ų231 Ų311%0.0117%0.17CC..Hα-helixtrans-62.8-47176.2-67.8170.5000110.3C489 V490 I493 M505 I559 T565 L566 Y567 F575 R579C489-I563 HydrophobicContact CB-CD1 4.08Å; V490-I563 HydrophobicContact CG2-CG1 4.23Å; I493-I563 HydrophobicContact CD1-CD1 3.94Å; I493-I563 HydrophobicContact CD1-CG1 4.02Å; I493-I563 HydrophobicContact CD1-CG2 4.12Å; M505-I563 HydrophobicContact CE-CD1 4.03Å; M505-I563 HydrophobicContact SD-CD1 3.57Å; M505-I563 VanDerWaalsContact SD-CD1 3.57Å; I559-I563 HydrophobicContact CG2-CD1 3.68Å; I559-I563 HydrophobicContact CG2-CG1 4.43Å; I559-I563 WeakPolarHBondContact O-CB 3.26Å; I559-I563 VanDerWaalsContact O-CG1 3.29Å; I559-I563 WeakPolarHBondContact O-CG1 3.48Å; I559-I563 PolarHBondContact O-N 3.24Å; I563-T565 VanDerWaalsContact C-N 3.3Å; I563-T565 PolarHBondContact O-N 2.97Å; I563-L566 WeakPolarHBondContact O-CB 3.44Å; I563-L566 PolarHBondContact O-N 3.02Å; I563-Y567 HydrophobicContact CG2-CD2 3.84Å; I563-Y567 HydrophobicContact CG2-CE2 3.88Å; I563-Y567 WeakPolarHBondContact O-CD2 3.45Å; I563-Y567 PolarHBondContact O-N 2.99Å; I563-F575 HydrophobicContact CG2-CE1 4.18Å; I563-R579 HydrophobicContact CG2-CG 4.46Å
564G96.6Very high95Very high0 Ų032 Ų320%018%0.175CC..Hα-helixtrans-58.4-43.7178.700000112N560 L561 Y567 C568 G576N560-G564 WeakPolarHBondContact O-CA 3.23Å; N560-G564 PolarHBondContact O-N 3.43Å; L561-G564 PolarHBondContact O-N 2.88Å; G564-Y567 PolarHBondContact O-N 3.37Å; G564-C568 PolarHBondContact O-N 3.03Å; G564-C568 PolarHBondContact O-SG 3.11Å; G564-G576 WeakPolarHBondContact CA-O 3.46Å; G564-G576 WeakPolarHBondContact O-CA 3.29Å
565T96.5Very high95.3Very high48 Ų4832.8 Ų32.829%0.29418%0.179SC..Hα-helixtrans-60.1-47.2175.5-57.70000111.2L561 V562 I563 Y567 C568 T569L561-T565 VanDerWaalsContact O-CB 3.32Å; L561-T565 WeakPolarHBondContact O-CB 3.28Å; L561-T565 PolarHBondContact O-N 3.39Å; L561-T565 PolarHBondContact O-OG1 3.35Å; V562-T565 PolarHBondContact O-N 3.5Å; I563-T565 VanDerWaalsContact C-N 3.3Å; I563-T565 PolarHBondContact O-N 2.97Å; T565-Y567 VanDerWaalsContact C-N 3.34Å; T565-Y567 PolarHBondContact O-N 3.21Å; T565-C568 PolarHBondContact O-N 3.15Å; T565-T569 HydrophobicContact CG2-CG2 4.48Å; T565-T569 WeakPolarHBondContact O-CG2 3.39Å; T565-T569 PolarHBondContact O-N 3.07Å; T565-T569 PolarHBondContact O-OG1 2.89Å
566L94Very high95.4Very high18 Ų1831.8 Ų31.89%0.09417%0.174CC..Hα-helixtrans-57-44.9176.9174.270.7000112.6V490 M494 V562 I563 T569 K570V490-L566 HydrophobicContact CB-CD2 4.29Å; V490-L566 HydrophobicContact CG1-CD2 3.61Å; V490-L566 HydrophobicContact CG2-CD2 3.96Å; M494-L566 HydrophobicContact CG-CD2 4.19Å; M494-L566 HydrophobicContact SD-CD1 4.27Å; M494-L566 HydrophobicContact SD-CD2 3.96Å; M494-L566 HydrophobicContact SD-CG 4.5Å; V562-L566 PolarHBondContact O-N 2.88Å; I563-L566 WeakPolarHBondContact O-CB 3.44Å; I563-L566 PolarHBondContact O-N 3.02Å; L566-T569 PolarHBondContact O-N 3.04Å; L566-T569 PolarHBondContact O-OG1 3.23Å; L566-K570 HydrophobicContact CD1-CG 4.49Å; L566-K570 WeakPolarHBondContact O-CG 3.35Å; L566-K570 PolarHBondContact O-N 2.96Å; L566-K570 VanDerWaalsContact O-N 3.12Å
567Y95.2Very high95.5Very high51 Ų5130.9 Ų30.920%0.217%0.169CC..Hα-helixtrans-69.5-35.2-179.9-85.8-92000112.1I493 I563 G564 T565 K570 G571 N572 F575I493-Y567 HydrophobicContact CG2-CE2 4.14Å; I493-Y567 WeakPolarHBondContact CG2-OH 3.37Å; I563-Y567 HydrophobicContact CG2-CD2 3.84Å; I563-Y567 HydrophobicContact CG2-CE2 3.88Å; I563-Y567 WeakPolarHBondContact O-CD2 3.45Å; I563-Y567 PolarHBondContact O-N 2.99Å; G564-Y567 PolarHBondContact O-N 3.37Å; T565-Y567 VanDerWaalsContact C-N 3.34Å; T565-Y567 PolarHBondContact O-N 3.21Å; Y567-K570 PolarHBondContact O-N 3.48Å; Y567-G571 PolarHBondContact O-N 3.33Å; Y567-N572 HydrophobicContact CD1-CB 3.95Å; Y567-N572 CarbonylContact O-C 3.57Å; Y567-N572 WeakPolarHBondContact O-CA 3.29Å; Y567-N572 PolarHBondContact O-N 3.3Å; Y567-F575 HydrophobicContact CD1-CB 4.36Å; Y567-F575 AromaticContact CD1-CD1 3.54Å; Y567-F575 HydrophobicContact CD1-CD1 3.54Å; Y567-F575 HydrophobicContact CD1-CE1 4.2Å; Y567-F575 HydrophobicContact CD1-CG 4.27Å; Y567-F575 AromaticContact CD2-CD1 3.54Å; Y567-F575 HydrophobicContact CD2-CD1 3.54Å; Y567-F575 AromaticContact CD2-CE1 3.54Å; Y567-F575 HydrophobicContact CD2-CE1 3.54Å; Y567-F575 AromaticContact CE1-CD1 3.76Å; Y567-F575 HydrophobicContact CE1-CD1 3.76Å; Y567-F575 HydrophobicContact CE1-CE1 4.08Å; Y567-F575 HydrophobicContact CE1-CG 4.43Å; Y567-F575 AromaticContact CE2-CD1 3.77Å; Y567-F575 HydrophobicContact CE2-CD1 3.77Å; Y567-F575 AromaticContact CE2-CE1 3.4Å; Y567-F575 HydrophobicContact CE2-CE1 3.4Å; Y567-F575 HydrophobicContact CE2-CZ 4.41Å; Y567-F575 AromaticContact CG-CD1 3.43Å; Y567-F575 HydrophobicContact CG-CD1 3.43Å; Y567-F575 VanDerWaalsContact CG-CD1 3.43Å; Y567-F575 AromaticContact CG-CE1 3.95Å; Y567-F575 HydrophobicContact CG-CE1 3.95Å; Y567-F575 HydrophobicContact CG-CG 4.48Å; Y567-F575 AromaticContact CZ-CD1 3.86Å; Y567-F575 AromaticContact CZ-CE1 3.68Å
568C96.2Very high95.6Very high5 Ų532.7 Ų32.73%0.03418%0.182CC..Hα-helixtrans-63.4-43.3172.7-64.90000111.7G564 T565 K570 G571 Y573G564-C568 PolarHBondContact O-N 3.03Å; G564-C568 PolarHBondContact O-SG 3.11Å; T565-C568 PolarHBondContact O-N 3.15Å; C568-K570 VanDerWaalsContact C-N 3.28Å; C568-K570 PolarHBondContact O-N 3.42Å; C568-G571 PolarHBondContact O-N 3.14Å; C568-Y573 HydrophobicContact CB-CD1 4.09Å; C568-Y573 HydrophobicContact CB-CE1 3.92Å
569T92.4Very high95.6Very high103 Ų10332.4 Ų32.463%0.63218%0.177SC*.Hα-helixtrans-67.3-28.4178.6600000112.9T565 L566 G571T565-T569 HydrophobicContact CG2-CG2 4.48Å; T565-T569 WeakPolarHBondContact O-CG2 3.39Å; T565-T569 PolarHBondContact O-N 3.07Å; T565-T569 PolarHBondContact O-OG1 2.89Å; L566-T569 PolarHBondContact O-N 3.04Å; L566-T569 PolarHBondContact O-OG1 3.23Å; T569-G571 VanDerWaalsContact C-N 3.26Å; T569-G571 PolarHBondContact O-N 2.71Å
570K91.4Very high95.7Very high106 Ų10632.4 Ų32.446%0.46118%0.177SC..THydrogen-bonded Turntrans-84.35.9172-59.9-63.1179.2-169.20113.5E455 L566 Y567 C568 N572E455-K570 IonicContact OE2-NZ 3.62Å; E455-K570 PolarHBondContact OE2-NZ 3.31Å; L566-K570 HydrophobicContact CD1-CG 4.49Å; L566-K570 WeakPolarHBondContact O-CG 3.35Å; L566-K570 PolarHBondContact O-N 2.96Å; L566-K570 VanDerWaalsContact O-N 3.12Å; Y567-K570 PolarHBondContact O-N 3.48Å; C568-K570 VanDerWaalsContact C-N 3.28Å; C568-K570 PolarHBondContact O-N 3.42Å; K570-N572 VanDerWaalsContact C-N 3.33Å; K570-N572 PolarHBondContact O-N 3.05Å
571G92.9Very high95.8Very high42 Ų4233.1 Ų33.143%0.43318%0.181SC..THydrogen-bonded Turntrans81.22.7175.800000115.5Y567 C568 T569 Y573Y567-G571 PolarHBondContact O-N 3.33Å; C568-G571 PolarHBondContact O-N 3.14Å; T569-G571 VanDerWaalsContact C-N 3.26Å; T569-G571 PolarHBondContact O-N 2.71Å; G571-Y573 VanDerWaalsContact C-N 3.32Å; G571-Y573 WeakPolarHBondContact O-CD2 3.49Å; G571-Y573 PolarHBondContact O-N 3.19Å
572N94.8Very high95.7Very high71 Ų7137 Ų3738%0.3820%0.197SC..  trans-91.370.8175.9-175.4-4.3000110.3Y567 K570 F575 G576Y567-N572 HydrophobicContact CD1-CB 3.95Å; Y567-N572 CarbonylContact O-C 3.57Å; Y567-N572 WeakPolarHBondContact O-CA 3.29Å; Y567-N572 PolarHBondContact O-N 3.3Å; K570-N572 VanDerWaalsContact C-N 3.33Å; K570-N572 PolarHBondContact O-N 3.05Å; N572-F575 PolarHBondContact OD1-N 2.92Å; N572-G576 PolarHBondContact O-N 3.43Å
573Y96.3Very high95.7Very high10 Ų1035.7 Ų35.74%0.03919%0.19CC..Hα-helixtrans-66.4-36.3-176.8-75.3-81.2000113.3C568 G571 F575 G576 I577 S605 L606 N609 I615 I617C568-Y573 HydrophobicContact CB-CD1 4.09Å; C568-Y573 HydrophobicContact CB-CE1 3.92Å; G571-Y573 VanDerWaalsContact C-N 3.32Å; G571-Y573 WeakPolarHBondContact O-CD2 3.49Å; G571-Y573 PolarHBondContact O-N 3.19Å; Y573-F575 VanDerWaalsContact C-N 3.31Å; Y573-F575 PolarHBondContact O-N 2.86Å; Y573-G576 PolarHBondContact O-N 3.49Å; Y573-I577 HydrophobicContact CD1-CG1 4.4Å; Y573-I577 VanDerWaalsContact O-CB 3.29Å; Y573-I577 WeakPolarHBondContact O-CB 3.46Å; Y573-I577 VanDerWaalsContact O-CG1 3.27Å; Y573-I577 WeakPolarHBondContact O-CG1 3.49Å; Y573-I577 PolarHBondContact O-N 3.01Å; Y573-S605 PolarHBondContact OH-OG 3.34Å; Y573-L606 HydrophobicContact CD1-CB 3.87Å; Y573-L606 HydrophobicContact CD1-CD1 3.71Å; Y573-L606 HydrophobicContact CD1-CG 4.42Å; Y573-L606 HydrophobicContact CE1-CB 4.05Å; Y573-L606 HydrophobicContact CE1-CD1 4.48Å; Y573-L606 HydrophobicContact CG-CD1 3.79Å; Y573-N609 HydrophobicContact CE2-CB 4.26Å; Y573-N609 PolarHBondContact OH-ND2 2.98Å; Y573-I615 HydrophobicContact CD1-CD1 4.44Å; Y573-I615 HydrophobicContact CD2-CD1 3.37Å; Y573-I615 HydrophobicContact CD2-CG2 3.98Å; Y573-I615 HydrophobicContact CE2-CD1 3.65Å; Y573-I615 HydrophobicContact CE2-CG2 4.01Å; Y573-I615 HydrophobicContact CG-CD1 3.81Å; Y573-I617 VanDerWaalsContact CB-CD1 3.43Å; Y573-I617 HydrophobicContact CG-CD1 4.39Å
574D95.9Very high95.6Very high29 Ų2935.6 Ų35.616%0.15519%0.189CC..Hα-helixtrans-52.9-47.3177.8-81.3-85.7000112.6S578 R618 V621D574-S578 PolarHBondContact O-OG 2.95Å; D574-S578 VanDerWaalsContact O-OG 3.06Å; D574-R618 WeakPolarHBondContact OD1-CB 3.33Å; D574-R618 VanDerWaalsContact OD1-CG 3.27Å; D574-R618 WeakPolarHBondContact OD1-CG 3.34Å; D574-R618 IonicContact OD1-CZ 2.95Å; D574-R618 PolarHBondContact OD1-N 2.86Å; D574-R618 IonicContact OD1-NE 2.76Å; D574-R618 PolarHBondContact OD1-NE 2.95Å; D574-R618 IonicContact OD1-NH2 2.91Å; D574-V621 HydrophobicContact CB-CG2 4.44Å; D574-V621 WeakPolarHBondContact OD1-CG2 3.4Å
575F95.1Very high95.5Very high69 Ų6940.4 Ų40.430%0.30321%0.212SC..Hα-helixtrans-80.3-42.1177.2-178.4-93000112I563 Y567 N572 Y573 I577 S578 R579I563-F575 HydrophobicContact CG2-CE1 4.18Å; Y567-F575 HydrophobicContact CD1-CB 4.36Å; Y567-F575 AromaticContact CD1-CD1 3.54Å; Y567-F575 HydrophobicContact CD1-CD1 3.54Å; Y567-F575 HydrophobicContact CD1-CE1 4.2Å; Y567-F575 HydrophobicContact CD1-CG 4.27Å; Y567-F575 AromaticContact CD2-CD1 3.54Å; Y567-F575 HydrophobicContact CD2-CD1 3.54Å; Y567-F575 AromaticContact CD2-CE1 3.54Å; Y567-F575 HydrophobicContact CD2-CE1 3.54Å; Y567-F575 AromaticContact CE1-CD1 3.76Å; Y567-F575 HydrophobicContact CE1-CD1 3.76Å; Y567-F575 HydrophobicContact CE1-CE1 4.08Å; Y567-F575 HydrophobicContact CE1-CG 4.43Å; Y567-F575 AromaticContact CE2-CD1 3.77Å; Y567-F575 HydrophobicContact CE2-CD1 3.77Å; Y567-F575 AromaticContact CE2-CE1 3.4Å; Y567-F575 HydrophobicContact CE2-CE1 3.4Å; Y567-F575 HydrophobicContact CE2-CZ 4.41Å; Y567-F575 AromaticContact CG-CD1 3.43Å; Y567-F575 HydrophobicContact CG-CD1 3.43Å; Y567-F575 VanDerWaalsContact CG-CD1 3.43Å; Y567-F575 AromaticContact CG-CE1 3.95Å; Y567-F575 HydrophobicContact CG-CE1 3.95Å; Y567-F575 HydrophobicContact CG-CG 4.48Å; Y567-F575 AromaticContact CZ-CD1 3.86Å; Y567-F575 AromaticContact CZ-CE1 3.68Å; N572-F575 PolarHBondContact OD1-N 2.92Å; Y573-F575 VanDerWaalsContact C-N 3.31Å; Y573-F575 PolarHBondContact O-N 2.86Å; F575-I577 PolarHBondContact O-N 3.21Å; F575-S578 PolarHBondContact O-N 3.08Å; F575-R579 HydrophobicContact CD1-CG 4.1Å; F575-R579 HydrophobicContact CE1-CG 3.67Å; F575-R579 HydrophobicContact CZ-CG 3.92Å; F575-R579 VanDerWaalsContact CZ-NE 3.28Å; F575-R579 WeakPolarHBondContact O-CG 3.26Å; F575-R579 PolarHBondContact O-N 3.31Å; F575-R579 VanDerWaalsContact O-N 3.11Å
576G96.7Very high95.3Very high0 Ų040.7 Ų40.70%022%0.215CC..Hα-helixtrans-57.5-49.1-177.300000112.1G564 N572 Y573 R579 I580G564-G576 WeakPolarHBondContact CA-O 3.46Å; G564-G576 WeakPolarHBondContact O-CA 3.29Å; N572-G576 PolarHBondContact O-N 3.43Å; Y573-G576 PolarHBondContact O-N 3.49Å; G576-R579 WeakPolarHBondContact O-CB 3.4Å; G576-R579 PolarHBondContact O-N 3.41Å; G576-I580 WeakPolarHBondContact O-CG1 3.45Å; G576-I580 PolarHBondContact O-N 3.43Å
577I97.9Very high95.2Very high0 Ų041 Ų410%021%0.214CC..Hα-helixtrans-68.6-40.7-178.7-63.3-69.9000111.9Y573 F575 R579 I580 I581 C602 F603 L606 V621 C625Y573-I577 HydrophobicContact CD1-CG1 4.4Å; Y573-I577 VanDerWaalsContact O-CB 3.29Å; Y573-I577 WeakPolarHBondContact O-CB 3.46Å; Y573-I577 VanDerWaalsContact O-CG1 3.27Å; Y573-I577 WeakPolarHBondContact O-CG1 3.49Å; Y573-I577 PolarHBondContact O-N 3.01Å; F575-I577 PolarHBondContact O-N 3.21Å; I577-R579 PolarHBondContact O-N 2.69Å; I577-I580 WeakPolarHBondContact O-CB 3.48Å; I577-I580 PolarHBondContact O-N 2.93Å; I577-I580 VanDerWaalsContact O-N 3.07Å; I577-I581 HydrophobicContact CG2-CD1 4Å; I577-I581 HydrophobicContact CG2-CG1 4.35Å; I577-I581 WeakPolarHBondContact O-CG1 3.49Å; I577-I581 PolarHBondContact O-N 2.98Å; I577-C602 HydrophobicContact CD1-CB 4.12Å; I577-F603 HydrophobicContact CD1-CD2 4.39Å; I577-F603 HydrophobicContact CD1-CE2 4.48Å; I577-F603 HydrophobicContact CG2-CE1 4.29Å; I577-F603 HydrophobicContact CG2-CE2 4.34Å; I577-F603 HydrophobicContact CG2-CZ 3.89Å; I577-L606 HydrophobicContact CD1-CB 4.2Å; I577-L606 HydrophobicContact CD1-CD2 4.17Å; I577-L606 HydrophobicContact CG1-CD2 4.08Å; I577-V621 HydrophobicContact CB-CG1 4.44Å; I577-V621 HydrophobicContact CG2-CG1 4.36Å; I577-C625 WeakPolarHBondContact CG2-SG 3.25Å
578S97.2Very high95Very high42 Ų4244.2 Ų44.229%0.29423%0.231SC..Hα-helixtrans-57.9-35.1173-63.30000112.3D574 F575 K582D574-S578 PolarHBondContact O-OG 2.95Å; D574-S578 VanDerWaalsContact O-OG 3.06Å; F575-S578 PolarHBondContact O-N 3.08Å; S578-K582 PolarHBondContact O-N 3.35Å; S578-K582 VanDerWaalsContact O-N 3.09Å
579R96.1Very high94.6Very high48 Ų4846.9 Ų46.918%0.18124%0.242CC..Hα-helixtrans-70.6-40.2173.7-70.8-68.1-179167.9-0.1112.7N560 I563 F575 G576 I577 K582 S583N560-R579 PolarHBondContact OD1-NH1 2.83Å; I563-R579 HydrophobicContact CG2-CG 4.46Å; F575-R579 HydrophobicContact CD1-CG 4.1Å; F575-R579 HydrophobicContact CE1-CG 3.67Å; F575-R579 HydrophobicContact CZ-CG 3.92Å; F575-R579 VanDerWaalsContact CZ-NE 3.28Å; F575-R579 WeakPolarHBondContact O-CG 3.26Å; F575-R579 PolarHBondContact O-N 3.31Å; F575-R579 VanDerWaalsContact O-N 3.11Å; G576-R579 WeakPolarHBondContact O-CB 3.4Å; G576-R579 PolarHBondContact O-N 3.41Å; I577-R579 PolarHBondContact O-N 2.69Å; R579-K582 PolarHBondContact O-N 2.82Å; R579-S583 WeakPolarHBondContact O-CB 3.39Å; R579-S583 PolarHBondContact O-N 3.27Å
580I98Very high94.6Very high0 Ų042.7 Ų42.70%022%0.215CC..Hα-helixtrans-59.3-47.4173.2-61.7-56.1000110.3L561 G576 I577 K582 S583 L584 A599 C602 F603L561-I580 HydrophobicContact CD2-CD1 3.94Å; L561-I580 HydrophobicContact CD2-CG2 4.41Å; G576-I580 WeakPolarHBondContact O-CG1 3.45Å; G576-I580 PolarHBondContact O-N 3.43Å; I577-I580 WeakPolarHBondContact O-CB 3.48Å; I577-I580 PolarHBondContact O-N 2.93Å; I577-I580 VanDerWaalsContact O-N 3.07Å; I580-K582 PolarHBondContact O-N 3.49Å; I580-S583 WeakPolarHBondContact O-CB 3.38Å; I580-S583 PolarHBondContact O-N 2.94Å; I580-S583 VanDerWaalsContact O-N 3.14Å; I580-S583 PolarHBondContact O-OG 3.12Å; I580-L584 HydrophobicContact CG2-CD1 4.45Å; I580-L584 VanDerWaalsContact O-CD1 3.26Å; I580-L584 WeakPolarHBondContact O-CD1 3.33Å; I580-A599 HydrophobicContact CG2-CB 3.65Å; I580-C602 HydrophobicContact CD1-CB 4.41Å; I580-C602 HydrophobicContact CG1-CB 3.96Å; I580-F603 HydrophobicContact CG2-CD2 4.42Å; I580-F603 HydrophobicContact CG2-CE2 3.94Å
581I97.8Very high94.7Very high17 Ų1737.9 Ų37.99%0.08720%0.195CC..Hα-helixtrans-57.8-52.6178.3-66.6171.8000110.5I577 S583 L584 F603 D624 F628I577-I581 HydrophobicContact CG2-CD1 4Å; I577-I581 HydrophobicContact CG2-CG1 4.35Å; I577-I581 WeakPolarHBondContact O-CG1 3.49Å; I577-I581 PolarHBondContact O-N 2.98Å; I581-S583 PolarHBondContact O-N 3.44Å; I581-S583 VanDerWaalsContact O-N 3.15Å; I581-L584 PolarHBondContact O-N 2.89Å; I581-F603 HydrophobicContact CD1-CZ 4.35Å; I581-F603 HydrophobicContact CG1-CZ 4.03Å; I581-D624 HydrophobicContact CD1-CB 3.93Å; I581-F628 HydrophobicContact CB-CD2 4.18Å; I581-F628 HydrophobicContact CB-CG 4.47Å; I581-F628 HydrophobicContact CD1-CB 4.01Å; I581-F628 HydrophobicContact CD1-CG 4.45Å; I581-F628 HydrophobicContact CG1-CB 3.83Å; I581-F628 HydrophobicContact CG1-CD1 4.31Å; I581-F628 HydrophobicContact CG1-CD2 3.96Å; I581-F628 HydrophobicContact CG1-CG 3.77Å; I581-F628 HydrophobicContact CG2-CB 4.14Å; I581-F628 HydrophobicContact CG2-CD2 3.96Å; I581-F628 HydrophobicContact CG2-CG 4.34Å
582K95.6Very high94.7Very high87 Ų8736.5 Ų36.538%0.37818%0.18SC..Hα-helixtrans-56.3-34178.3-173177.6179.7-174.40112.4E509 S578 R579 I580 L584 E585E509-K582 IonicContact OE1-NZ 3.61Å; S578-K582 PolarHBondContact O-N 3.35Å; S578-K582 VanDerWaalsContact O-N 3.09Å; R579-K582 PolarHBondContact O-N 2.82Å; I580-K582 PolarHBondContact O-N 3.49Å; K582-L584 PolarHBondContact O-N 3.18Å; K582-E585 PolarHBondContact O-N 2.91Å
583S96.1Very high94.5Very high2 Ų234.9 Ų34.91%0.01417%0.174CC..Hα-helixtrans-65.8-22.3-175.474.40000114.7C557 N560 L561 R579 I580 I581C557-S583 WeakPolarHBondContact CB-O 3.45Å; C557-S583 WeakPolarHBondContact O-CB 3.35Å; C557-S583 PolarHBondContact SG-O 3.25Å; N560-S583 VanDerWaalsContact CB-CB 3.45Å; L561-S583 WeakPolarHBondContact CD2-OG 3.38Å; L561-S583 WeakPolarHBondContact CG-OG 3.43Å; R579-S583 WeakPolarHBondContact O-CB 3.39Å; R579-S583 PolarHBondContact O-N 3.27Å; I580-S583 WeakPolarHBondContact O-CB 3.38Å; I580-S583 PolarHBondContact O-N 2.94Å; I580-S583 VanDerWaalsContact O-N 3.14Å; I580-S583 PolarHBondContact O-OG 3.12Å; I581-S583 PolarHBondContact O-N 3.44Å; I581-S583 VanDerWaalsContact O-N 3.15Å
584L95.6Very high94.2Very high0 Ų039.1 Ų39.10%020%0.197CC..THydrogen-bonded Turntrans-98.92.6-179.7-74.191.6000112.9L561 I580 I581 K582 P586 Y587 L591 A599 F628L561-L584 HydrophobicContact CD2-CD1 4.21Å; I580-L584 HydrophobicContact CG2-CD1 4.45Å; I580-L584 VanDerWaalsContact O-CD1 3.26Å; I580-L584 WeakPolarHBondContact O-CD1 3.33Å; I581-L584 PolarHBondContact O-N 2.89Å; K582-L584 PolarHBondContact O-N 3.18Å; L584-P586 CarbonylContact O-C 3.41Å; L584-Y587 HydrophobicContact CB-CD1 4.19Å; L584-Y587 HydrophobicContact CB-CE1 4.27Å; L584-Y587 VanDerWaalsContact O-CA 3.22Å; L584-Y587 WeakPolarHBondContact O-CA 3.24Å; L584-Y587 PolarHBondContact O-N 3.28Å; L584-Y587 VanDerWaalsContact O-N 3.14Å; L584-L591 HydrophobicContact CD2-CD1 3.42Å; L584-L591 VanDerWaalsContact CD2-CD1 3.42Å; L584-A599 HydrophobicContact CD1-CB 3.91Å; L584-F628 HydrophobicContact CB-CE2 4.11Å; L584-F628 HydrophobicContact CD1-CE2 4.16Å; L584-F628 HydrophobicContact CD1-CZ 4.18Å; L584-F628 HydrophobicContact CD2-CE2 4.3Å; L584-F628 HydrophobicContact CD2-CZ 4.21Å; L584-F628 HydrophobicContact CG-CE2 4.43Å
585E93.2Very high94.1Very high101 Ų10138.2 Ų38.247%0.47219%0.192SC..  trans-85.7135.8176.9-65.8-176.2159.500111.3K582 Y587K582-E585 PolarHBondContact O-N 2.91Å; E585-Y587 HydrophobicContact CG-CE1 4.22Å; E585-Y587 HydrophobicContact CG-CE2 4.01Å; E585-Y587 PolarHBondContact OE1-OH 3.21Å
586P92.4Very high94.2Very high54 Ų5434.9 Ų34.935%0.35118%0.178SC..SBendcis-78.3137.6-9.533.3-34.4000112L584 H588 K589 K590L584-P586 CarbonylContact O-C 3.41Å; P586-H588 VanDerWaalsContact C-N 3.32Å; P586-H588 PolarHBondContact O-N 3Å; P586-K589 HydrophobicContact CG-CB 4.19Å; P586-K589 HydrophobicContact CG-CD 3.96Å; P586-K589 HydrophobicContact CG-CG 4.15Å; P586-K589 PolarHBondContact O-N 3.38Å; P586-K590 PolarHBondContact O-N 3.39Å; P586-K590 VanDerWaalsContact O-N 3.11Å
587Y92.6Very high94.1Very high23 Ų2339.5 Ų39.59%0.0920%0.196CC..Hα-helixtrans-55.1-41-170.6-54.8-75.3000114.1L584 E585 K589 K590 L591 F628 Q631 Y635L584-Y587 HydrophobicContact CB-CD1 4.19Å; L584-Y587 HydrophobicContact CB-CE1 4.27Å; L584-Y587 VanDerWaalsContact O-CA 3.22Å; L584-Y587 WeakPolarHBondContact O-CA 3.24Å; L584-Y587 PolarHBondContact O-N 3.28Å; L584-Y587 VanDerWaalsContact O-N 3.14Å; E585-Y587 HydrophobicContact CG-CE1 4.22Å; E585-Y587 HydrophobicContact CG-CE2 4.01Å; E585-Y587 PolarHBondContact OE1-OH 3.21Å; Y587-K589 PolarHBondContact O-N 3.33Å; Y587-K589 VanDerWaalsContact O-N 3.17Å; Y587-K590 PolarHBondContact O-N 3.03Å; Y587-L591 WeakPolarHBondContact O-CB 3.37Å; Y587-L591 PolarHBondContact O-N 2.99Å; Y587-F628 AromaticContact CE1-CD2 3.71Å; Y587-F628 HydrophobicContact CE1-CD2 3.71Å; Y587-F628 AromaticContact CE1-CE2 3.87Å; Y587-F628 HydrophobicContact CE1-CE2 3.87Å; Y587-Q631 HydrophobicContact CD1-CB 4.22Å; Y587-Q631 HydrophobicContact CD2-CB 3.77Å; Y587-Q631 HydrophobicContact CD2-CG 4.12Å; Y587-Q631 HydrophobicContact CE1-CB 4.08Å; Y587-Q631 HydrophobicContact CE2-CB 3.65Å; Y587-Q631 HydrophobicContact CE2-CG 3.67Å; Y587-Q631 HydrophobicContact CG-CB 4.08Å; Y587-Y635 VanDerWaalsContact CB-CD2 3.48Å; Y587-Y635 HydrophobicContact CD2-CD2 4.23Å; Y587-Y635 HydrophobicContact CD2-CE2 4.13Å; Y587-Y635 HydrophobicContact CG-CD2 4.08Å; Y587-Y635 HydrophobicContact CG-CE2 4.42Å
588H90Very high93.9Very high119 Ų11945.3 Ų45.355%0.55122%0.219SC*.Hα-helixtrans-64.2-20.1-179.968.7-84.7000114.3P586 Y635P586-H588 VanDerWaalsContact C-N 3.32Å; P586-H588 PolarHBondContact O-N 3Å; H588-Y635 HydrophobicContact CB-CD1 3.93Å; H588-Y635 HydrophobicContact CB-CE1 3.85Å
589K88.4Confident93.9Very high62 Ų6243.3 Ų43.327%0.2721%0.205SC..Hα-helixtrans-97.4-45.9176-67-176.8176.61770111.7E516 E520 P586 Y587E516-K589 IonicContact OE2-NZ 3.23Å; E516-K589 PolarHBondContact OE2-NZ 3.05Å; E520-K589 IonicContact OE1-NZ 2.59Å; P586-K589 HydrophobicContact CG-CB 4.19Å; P586-K589 HydrophobicContact CG-CD 3.96Å; P586-K589 HydrophobicContact CG-CG 4.15Å; P586-K589 PolarHBondContact O-N 3.38Å; Y587-K589 PolarHBondContact O-N 3.33Å; Y587-K589 VanDerWaalsContact O-N 3.17Å
590K92.6Very high93.9Very high14 Ų1442.2 Ų42.26%0.06120%0.202CC..Hα-helixtrans-101.4-17.1-165.6-48.5-63.3-170.5-170.90114.6E516 L553 F554 P586 Y587 G592 T595E516-K590 IonicContact OE1-NZ 2.75Å; E516-K590 PolarHBondContact OE1-NZ 2.96Å; L553-K590 PolarHBondContact O-NZ 3.11Å; F554-K590 HydrophobicContact CD1-CD 4.17Å; F554-K590 HydrophobicContact CE1-CB 4.24Å; F554-K590 HydrophobicContact CE1-CD 4.22Å; P586-K590 PolarHBondContact O-N 3.39Å; P586-K590 VanDerWaalsContact O-N 3.11Å; Y587-K590 PolarHBondContact O-N 3.03Å; K590-G592 PolarHBondContact O-N 3.4Å; K590-T595 WeakPolarHBondContact O-CG2 3.08Å; K590-T595 PolarHBondContact O-OG1 3.47Å
591L93.9Very high93.8Very high6 Ų649.3 Ų49.33%0.03123%0.228CC..  trans-71.9120.2175.1-173.964.4000109.6L584 Y587 W596 I639 I659L584-L591 HydrophobicContact CD2-CD1 3.42Å; L584-L591 VanDerWaalsContact CD2-CD1 3.42Å; Y587-L591 WeakPolarHBondContact O-CB 3.37Å; Y587-L591 PolarHBondContact O-N 2.99Å; L591-W596 HydrophobicContact CD1-CB 4.37Å; L591-W596 HydrophobicContact CD1-CE3 4.16Å; L591-I639 HydrophobicContact CB-CD1 4.42Å; L591-I639 HydrophobicContact CD2-CD1 4.22Å; L591-I639 HydrophobicContact CG-CD1 4.15Å; L591-I659 HydrophobicContact CD1-CD1 3.98Å; L591-I659 HydrophobicContact CD1-CG2 4.16Å; L591-I659 HydrophobicContact CD2-CG2 4.19Å; L591-I659 HydrophobicContact CG-CD1 3.94Å; L591-I659 HydrophobicContact CG-CG2 4.48Å
592G91.6Very high93.8Very high13 Ų1348.8 Ų48.813%0.13423%0.226CC..SBendtrans-155.8172.1178.300000110.6K590 D594 T595 W596K590-G592 PolarHBondContact O-N 3.4Å; G592-D594 VanDerWaalsContact C-N 3.31Å; G592-D594 PolarHBondContact O-N 3.09Å; G592-T595 PolarHBondContact N-OG1 3.49Å; G592-T595 PolarHBondContact O-N 3.12Å; G592-T595 PolarHBondContact O-OG1 3.01Å; G592-W596 WeakPolarHBondContact O-CB 3.47Å; G592-W596 PolarHBondContact O-N 3.1Å
593P90.8Very high94Very high37 Ų3744.7 Ų44.724%0.2421%0.208CC..Hα-helixtrans-54.6-44.3-177.9-24.632.8000113.1Y597 I639 K640 I643P593-Y597 VanDerWaalsContact O-CB 3.29Å; P593-Y597 WeakPolarHBondContact O-CB 3.37Å; P593-Y597 PolarHBondContact O-N 2.86Å; P593-I639 HydrophobicContact CG-CG2 4.23Å; P593-K640 WeakPolarHBondContact CG-O 3.22Å; P593-I643 HydrophobicContact CB-CD1 4.01Å; P593-I643 HydrophobicContact CB-CG1 3.39Å; P593-I643 HydrophobicContact CG-CG1 4.06Å
594D90.4Very high94Very high98 Ų9848.6 Ų48.652%0.52423%0.229SC..Hα-helixtrans-67.7-51.5-179.9-67.7-48.3000113G592 W596 Y597 Y598 I643G592-D594 VanDerWaalsContact C-N 3.31Å; G592-D594 PolarHBondContact O-N 3.09Å; D594-W596 VanDerWaalsContact C-N 3.26Å; D594-W596 PolarHBondContact O-N 3.29Å; D594-Y597 WeakPolarHBondContact O-CB 3.4Å; D594-Y597 PolarHBondContact O-N 3.16Å; D594-Y597 VanDerWaalsContact O-N 3.14Å; D594-Y598 WeakPolarHBondContact O-CD2 3.25Å; D594-Y598 PolarHBondContact O-N 3.09Å; D594-I643 VanDerWaalsContact CG-CD1 3.45Å; D594-I643 WeakPolarHBondContact OD1-CD1 3.26Å; D594-I643 WeakPolarHBondContact OD2-CD1 3.3Å
595T94.3Very high94.1Very high10 Ų1050.5 Ų50.56%0.06124%0.242CC..Hα-helixtrans-63.8-37.4-178.655.50000110.9F554 C557 L561 K590 G592 A599F554-T595 HydrophobicContact CD1-CG2 4.18Å; F554-T595 HydrophobicContact CE1-CG2 4.01Å; C557-T595 VanDerWaalsContact SG-CG2 3.54Å; L561-T595 HydrophobicContact CD1-CG2 4.1Å; K590-T595 WeakPolarHBondContact O-CG2 3.08Å; K590-T595 PolarHBondContact O-OG1 3.47Å; G592-T595 PolarHBondContact N-OG1 3.49Å; G592-T595 PolarHBondContact O-N 3.12Å; G592-T595 PolarHBondContact O-OG1 3.01Å; T595-A599 WeakPolarHBondContact O-CB 3.24Å; T595-A599 PolarHBondContact O-N 3.31Å
596W96.3Very high94.3Very high0 Ų045.7 Ų45.70%022%0.219CC..Hα-helixtrans-65.8-41.9172.7-179.7-112.1000112.8L591 G592 D594 Y598 A599 K600 F628 L629 C632 I659 E662 A663 L666L591-W596 HydrophobicContact CD1-CB 4.37Å; L591-W596 HydrophobicContact CD1-CE3 4.16Å; G592-W596 WeakPolarHBondContact O-CB 3.47Å; G592-W596 PolarHBondContact O-N 3.1Å; D594-W596 VanDerWaalsContact C-N 3.26Å; D594-W596 PolarHBondContact O-N 3.29Å; W596-Y598 VanDerWaalsContact C-N 3.29Å; W596-Y598 PolarHBondContact O-N 2.77Å; W596-A599 PolarHBondContact O-N 3.46Å; W596-K600 HydrophobicContact CD2-CB 4.43Å; W596-K600 HydrophobicContact CZ2-CB 4.13Å; W596-K600 WeakPolarHBondContact O-CB 3.48Å; W596-K600 WeakPolarHBondContact O-CG 3.22Å; W596-K600 PolarHBondContact O-N 3.31Å; W596-F628 HydrophobicContact CZ3-CE1 4.1Å; W596-F628 HydrophobicContact CZ3-CZ 4.24Å; W596-L629 HydrophobicContact CH2-CD2 4.02Å; W596-C632 HydrophobicContact CE3-CB 4.5Å; W596-C632 HydrophobicContact CH2-CB 4.31Å; W596-C632 HydrophobicContact CZ3-CB 3.84Å; W596-I659 HydrophobicContact CB-CD1 3.68Å; W596-I659 HydrophobicContact CB-CG1 4.17Å; W596-I659 HydrophobicContact CD2-CG1 4.37Å; W596-I659 HydrophobicContact CD2-CG2 3.71Å; W596-I659 HydrophobicContact CE3-CG2 3.97Å; W596-I659 HydrophobicContact CG-CB 4.46Å; W596-I659 HydrophobicContact CG-CD1 3.85Å; W596-I659 HydrophobicContact CG-CG1 3.8Å; W596-I659 HydrophobicContact CG-CG2 4.05Å; W596-I659 HydrophobicContact CZ2-CG2 4.31Å; W596-I659 HydrophobicContact CZ3-CG2 4.38Å; W596-E662 HydrophobicContact CZ2-CB 3.88Å; W596-E662 PolarHBondContact NE1-OE2 3.34Å; W596-A663 HydrophobicContact CH2-CB 3.84Å; W596-A663 HydrophobicContact CZ2-CB 4.2Å; W596-L666 HydrophobicContact CH2-CD1 3.95Å; W596-L666 HydrophobicContact CZ2-CD1 3.98Å
597Y94.7Very high94.5Very high96 Ų9643.8 Ų43.838%0.37621%0.206SC..Hα-helixtrans-56.1-43.3177.1172.5-97.7000112.1P593 D594 K600 R601P593-Y597 VanDerWaalsContact O-CB 3.29Å; P593-Y597 WeakPolarHBondContact O-CB 3.37Å; P593-Y597 PolarHBondContact O-N 2.86Å; D594-Y597 WeakPolarHBondContact O-CB 3.4Å; D594-Y597 PolarHBondContact O-N 3.16Å; D594-Y597 VanDerWaalsContact O-N 3.14Å; Y597-K600 WeakPolarHBondContact O-CG 3.25Å; Y597-R601 WeakPolarHBondContact O-CG 3.3Å; Y597-R601 PolarHBondContact OH-NH1 2.93Å
598Y94.4Very high94.6Very high123 Ų12347.4 Ų47.448%0.48222%0.224SC..Hα-helixtrans-73.4-41.7176-67.5-71.1000112.6D594 W596 R601D594-Y598 WeakPolarHBondContact O-CD2 3.25Å; D594-Y598 PolarHBondContact O-N 3.09Å; W596-Y598 VanDerWaalsContact C-N 3.29Å; W596-Y598 PolarHBondContact O-N 2.77Å; Y598-R601 PolarHBondContact O-N 3.5Å
599A97.3Very high94.9Very high0 Ų043 Ų430%021%0.205CC..Hα-helixtrans-60.7-51.2178.700000111.8L561 I580 L584 T595 W596 R601 C602 F603 F628L561-A599 HydrophobicContact CD2-CB 4.49Å; I580-A599 HydrophobicContact CG2-CB 3.65Å; L584-A599 HydrophobicContact CD1-CB 3.91Å; T595-A599 WeakPolarHBondContact O-CB 3.24Å; T595-A599 PolarHBondContact O-N 3.31Å; W596-A599 PolarHBondContact O-N 3.46Å; A599-R601 VanDerWaalsContact C-N 3.25Å; A599-R601 PolarHBondContact O-N 2.94Å; A599-C602 WeakPolarHBondContact O-CB 3.32Å; A599-C602 PolarHBondContact O-N 2.96Å; A599-F603 WeakPolarHBondContact O-CD2 3.47Å; A599-F603 PolarHBondContact O-N 3.35Å; A599-F628 HydrophobicContact CB-CZ 4.47Å
600K96.3Very high95.2Very high25 Ų2541.4 Ų41.411%0.10920%0.198CC..Hα-helixtrans-60.2-33.2-176.476.5-171.7-173.7-176.20112.9W596 Y597 C602 F603 L604 E662 L666W596-K600 HydrophobicContact CD2-CB 4.43Å; W596-K600 HydrophobicContact CZ2-CB 4.13Å; W596-K600 WeakPolarHBondContact O-CB 3.48Å; W596-K600 WeakPolarHBondContact O-CG 3.22Å; W596-K600 PolarHBondContact O-N 3.31Å; Y597-K600 WeakPolarHBondContact O-CG 3.25Å; K600-C602 PolarHBondContact O-N 3.44Å; K600-F603 PolarHBondContact O-N 2.98Å; K600-L604 WeakPolarHBondContact O-CB 3.48Å; K600-L604 VanDerWaalsContact O-CG 3.3Å; K600-L604 WeakPolarHBondContact O-CG 3.48Å; K600-L604 PolarHBondContact O-N 3.09Å; K600-E662 WeakPolarHBondContact CD-OE2 3.32Å; K600-E662 WeakPolarHBondContact CE-OE2 3.39Å; K600-E662 VanDerWaalsContact NZ-CD 3.28Å; K600-E662 IonicContact NZ-OE1 3.7Å; K600-E662 PolarHBondContact NZ-OE1 3Å; K600-E662 IonicContact NZ-OE2 3.75Å; K600-E662 PolarHBondContact NZ-OE2 3.26Å; K600-L666 HydrophobicContact CB-CD1 4.09Å
601R96.6Very high95.3Very high148 Ų14843.3 Ų43.356%0.55822%0.217SC*.Hα-helixtrans-63.9-39175.5-72.1175.768.6116.44.9112.3Y597 Y598 A599 S605Y597-R601 WeakPolarHBondContact O-CG 3.3Å; Y597-R601 PolarHBondContact OH-NH1 2.93Å; Y598-R601 PolarHBondContact O-N 3.5Å; A599-R601 VanDerWaalsContact C-N 3.25Å; A599-R601 PolarHBondContact O-N 2.94Å; R601-S605 WeakPolarHBondContact O-CB 3.33Å; R601-S605 PolarHBondContact O-N 3.27Å
602C97.8Very high95.4Very high7 Ų748.5 Ų48.55%0.04724%0.239CC..Hα-helixtrans-66.9-42.5176-63.10000111.5I577 I580 A599 K600 S605 L606I577-C602 HydrophobicContact CD1-CB 4.12Å; I580-C602 HydrophobicContact CD1-CB 4.41Å; I580-C602 HydrophobicContact CG1-CB 3.96Å; A599-C602 WeakPolarHBondContact O-CB 3.32Å; A599-C602 PolarHBondContact O-N 2.96Å; K600-C602 PolarHBondContact O-N 3.44Å; C602-S605 PolarHBondContact O-N 3.19Å; C602-L606 WeakPolarHBondContact O-CB 3.28Å; C602-L606 PolarHBondContact O-N 2.97Å
603F97.9Very high95.3Very high1 Ų156.1 Ų56.10%0.00427%0.271CS..Hα-helixtrans-65.9-41.1175.9-83.4-97.6000112.7I577 I580 I581 A599 K600 L606 I607 C625 F628 L629 L666I577-F603 HydrophobicContact CD1-CD2 4.39Å; I577-F603 HydrophobicContact CD1-CE2 4.48Å; I577-F603 HydrophobicContact CG2-CE1 4.29Å; I577-F603 HydrophobicContact CG2-CE2 4.34Å; I577-F603 HydrophobicContact CG2-CZ 3.89Å; I580-F603 HydrophobicContact CG2-CD2 4.42Å; I580-F603 HydrophobicContact CG2-CE2 3.94Å; I581-F603 HydrophobicContact CD1-CZ 4.35Å; I581-F603 HydrophobicContact CG1-CZ 4.03Å; A599-F603 WeakPolarHBondContact O-CD2 3.47Å; A599-F603 PolarHBondContact O-N 3.35Å; K600-F603 PolarHBondContact O-N 2.98Å; F603-L606 WeakPolarHBondContact O-CB 3.49Å; F603-L606 PolarHBondContact O-N 3.13Å; F603-I607 WeakPolarHBondContact O-CB 3.46Å; F603-I607 VanDerWaalsContact O-CG1 3.28Å; F603-I607 WeakPolarHBondContact O-CG1 3.47Å; F603-I607 PolarHBondContact O-N 3.18Å; F603-C625 HydrophobicContact CE1-CB 3.77Å; F603-F628 HydrophobicContact CD2-CE1 4.18Å; F603-F628 AromaticContact CE1-CD1 3.93Å; F603-F628 HydrophobicContact CE1-CD1 3.93Å; F603-F628 HydrophobicContact CE1-CE1 4.36Å; F603-F628 AromaticContact CE2-CD1 3.69Å; F603-F628 HydrophobicContact CE2-CD1 3.69Å; F603-F628 AromaticContact CE2-CE1 3.42Å; F603-F628 HydrophobicContact CE2-CE1 3.42Å; F603-F628 VanDerWaalsContact CE2-CE1 3.42Å; F603-F628 HydrophobicContact CE2-CZ 4.25Å; F603-F628 AromaticContact CZ-CD1 3.25Å; F603-F628 HydrophobicContact CZ-CD1 3.25Å; F603-F628 AromaticContact CZ-CE1 3.54Å; F603-F628 HydrophobicContact CZ-CE1 3.54Å; F603-F628 HydrophobicContact CZ-CG 4.13Å; F603-L629 HydrophobicContact CD1-CD1 4.38Å; F603-L629 HydrophobicContact CD1-CD2 4.5Å; F603-L629 HydrophobicContact CE1-CD1 4.43Å; F603-L629 HydrophobicContact CE1-CG 4.37Å; F603-L666 HydrophobicContact CB-CD1 4.21Å
604L97.3Very high95.4Very high84 Ų8459.7 Ų59.744%0.4429%0.285SS..Hα-helixtrans-61.5-45.3173.9-76.1168.5000111.3K600 L606 I607 E608 L666K600-L604 WeakPolarHBondContact O-CB 3.48Å; K600-L604 VanDerWaalsContact O-CG 3.3Å; K600-L604 WeakPolarHBondContact O-CG 3.48Å; K600-L604 PolarHBondContact O-N 3.09Å; L604-L606 VanDerWaalsContact C-N 3.34Å; L604-L606 PolarHBondContact O-N 3.36Å; L604-I607 PolarHBondContact O-N 3.1Å; L604-E608 WeakPolarHBondContact O-CB 3.38Å; L604-E608 PolarHBondContact O-N 3.31Å; L604-L666 HydrophobicContact CD2-CD2 3.48Å; L604-L666 VanDerWaalsContact CD2-CD2 3.48Å; L604-L666 HydrophobicContact CG-CD2 3.79Å
605S97Very high95.5Very high39 Ų3956.8 Ų56.827%0.27327%0.27SS..Hα-helixtrans-60-43.9175-171.50000111.5Y573 R601 C602 E608 N609Y573-S605 PolarHBondContact OH-OG 3.34Å; R601-S605 WeakPolarHBondContact O-CB 3.33Å; R601-S605 PolarHBondContact O-N 3.27Å; C602-S605 PolarHBondContact O-N 3.19Å; S605-E608 PolarHBondContact O-N 3.07Å; S605-N609 WeakPolarHBondContact O-CB 3.41Å; S605-N609 PolarHBondContact O-N 2.97Å; S605-N609 PolarHBondContact O-ND2 3.07Å
606L97Very high95.2Very high0 Ų064.1 Ų64.10%031%0.307CS..Hα-helixtrans-56.8-55.5175.2172.170.3000111.4Y573 I577 C602 F603 L604 E608 N609 M610 I615 I617Y573-L606 HydrophobicContact CD1-CB 3.87Å; Y573-L606 HydrophobicContact CD1-CD1 3.71Å; Y573-L606 HydrophobicContact CD1-CG 4.42Å; Y573-L606 HydrophobicContact CE1-CB 4.05Å; Y573-L606 HydrophobicContact CE1-CD1 4.48Å; Y573-L606 HydrophobicContact CG-CD1 3.79Å; I577-L606 HydrophobicContact CD1-CB 4.2Å; I577-L606 HydrophobicContact CD1-CD2 4.17Å; I577-L606 HydrophobicContact CG1-CD2 4.08Å; C602-L606 WeakPolarHBondContact O-CB 3.28Å; C602-L606 PolarHBondContact O-N 2.97Å; F603-L606 WeakPolarHBondContact O-CB 3.49Å; F603-L606 PolarHBondContact O-N 3.13Å; L604-L606 VanDerWaalsContact C-N 3.34Å; L604-L606 PolarHBondContact O-N 3.36Å; L606-E608 VanDerWaalsContact C-N 3.3Å; L606-E608 PolarHBondContact O-N 2.86Å; L606-N609 PolarHBondContact O-N 3.49Å; L606-N609 VanDerWaalsContact O-N 3.15Å; L606-M610 HydrophobicContact CD1-CG 4.24Å; L606-M610 HydrophobicContact CD1-SD 4.05Å; L606-M610 HydrophobicContact CD2-SD 4.46Å; L606-M610 HydrophobicContact CG-SD 4Å; L606-M610 WeakPolarHBondContact O-CG 3.43Å; L606-M610 PolarHBondContact O-N 3.38Å; L606-I615 HydrophobicContact CD1-CD1 3.64Å; L606-I617 HydrophobicContact CD1-CD1 3.53Å; L606-I617 HydrophobicContact CD1-CG1 3.57Å
607I96.5Very high95Very high14 Ų1464.7 Ų64.77%0.07231%0.31CS..Hα-helixtrans-58.5-43.9-178.5-70.6167.6000110.3F603 L604 N609 M610 A611 L666 L669 L670 L673F603-I607 WeakPolarHBondContact O-CB 3.46Å; F603-I607 VanDerWaalsContact O-CG1 3.28Å; F603-I607 WeakPolarHBondContact O-CG1 3.47Å; F603-I607 PolarHBondContact O-N 3.18Å; L604-I607 PolarHBondContact O-N 3.1Å; I607-N609 PolarHBondContact O-N 3.27Å; I607-M610 PolarHBondContact O-N 3.22Å; I607-A611 VanDerWaalsContact O-CB 3.3Å; I607-A611 WeakPolarHBondContact O-CB 3.48Å; I607-A611 PolarHBondContact O-N 2.94Å; I607-L666 HydrophobicContact CD1-CB 4.5Å; I607-L666 HydrophobicContact CD1-CD2 4.07Å; I607-L669 HydrophobicContact CD1-CB 4.18Å; I607-L669 HydrophobicContact CG2-CB 4.14Å; I607-L670 HydrophobicContact CD1-CB 4.44Å; I607-L670 HydrophobicContact CG1-CD1 4.22Å; I607-L673 HydrophobicContact CB-CD1 4.36Å; I607-L673 HydrophobicContact CG2-CD1 3.72Å; I607-L673 WeakPolarHBondContact O-CD1 3.22Å
608E96.3Very high95Very high99 Ų9967.2 Ų67.246%0.46332%0.319SS..Hα-helixtrans-59.8-44.5176.9-176.8-176.3177.100112L604 S605 L606 A611 K612L604-E608 WeakPolarHBondContact O-CB 3.38Å; L604-E608 PolarHBondContact O-N 3.31Å; S605-E608 PolarHBondContact O-N 3.07Å; L606-E608 VanDerWaalsContact C-N 3.3Å; L606-E608 PolarHBondContact O-N 2.86Å; E608-A611 PolarHBondContact O-N 3.47Å; E608-K612 HydrophobicContact CG-CD 4.29Å; E608-K612 VanDerWaalsContact O-CG 3.3Å; E608-K612 WeakPolarHBondContact O-CG 3.46Å; E608-K612 PolarHBondContact O-N 3.39Å; E608-K612 VanDerWaalsContact O-N 3.07Å; E608-K612 WeakPolarHBondContact OE1-CE 3.45Å; E608-K612 IonicContact OE1-NZ 3.23Å; E608-K612 PolarHBondContact OE1-NZ 3.26Å
609N95.7Very high94.9Very high28 Ų2867.2 Ų67.215%0.1533%0.328CS..Hα-helixtrans-72.6-34-179-78.9-95000112.4Y573 S605 L606 I607 K612 H613 M614 I615Y573-N609 HydrophobicContact CE2-CB 4.26Å; Y573-N609 PolarHBondContact OH-ND2 2.98Å; S605-N609 WeakPolarHBondContact O-CB 3.41Å; S605-N609 PolarHBondContact O-N 2.97Å; S605-N609 PolarHBondContact O-ND2 3.07Å; L606-N609 PolarHBondContact O-N 3.49Å; L606-N609 VanDerWaalsContact O-N 3.15Å; I607-N609 PolarHBondContact O-N 3.27Å; N609-K612 PolarHBondContact O-N 2.98Å; N609-H613 PolarHBondContact O-N 3.13Å; N609-M614 HydrophobicContact CB-CE 4.36Å; N609-M614 PolarHBondContact O-N 3.45Å; N609-M614 WeakPolarHBondContact OD1-CE 3.42Å; N609-I615 HydrophobicContact CB-CD1 3.5Å; N609-I615 HydrophobicContact CB-CG1 3.83Å; N609-I615 HydrophobicContact CB-CG2 4.25Å
610M95Very high94.8Very high28 Ų2870.3 Ų70.314%0.13835%0.353CS..Hα-helixtrans-65.2-47171.3-74.4179.663.900111.2L606 I607 K612 H613 I615 I617 L622 L670 L673L606-M610 HydrophobicContact CD1-CG 4.24Å; L606-M610 HydrophobicContact CD1-SD 4.05Å; L606-M610 HydrophobicContact CD2-SD 4.46Å; L606-M610 HydrophobicContact CG-SD 4Å; L606-M610 WeakPolarHBondContact O-CG 3.43Å; L606-M610 PolarHBondContact O-N 3.38Å; I607-M610 PolarHBondContact O-N 3.22Å; M610-K612 PolarHBondContact O-N 3.29Å; M610-H613 WeakPolarHBondContact O-CA 3.04Å; M610-H613 PolarHBondContact O-CD2 3.35Å; M610-H613 PolarHBondContact O-N 3.08Å; M610-I615 HydrophobicContact CG-CD1 3.99Å; M610-I615 HydrophobicContact CG-CG1 3.9Å; M610-I617 HydrophobicContact CG-CG1 4.26Å; M610-I617 HydrophobicContact SD-CG1 4.04Å; M610-L622 HydrophobicContact CE-CD1 4.42Å; M610-L622 HydrophobicContact CE-CD2 3.66Å; M610-L622 HydrophobicContact SD-CD2 3.88Å; M610-L670 HydrophobicContact CE-CD1 4.32Å; M610-L670 HydrophobicContact SD-CD1 4.11Å; M610-L673 HydrophobicContact CB-CD1 3.94Å; M610-L673 HydrophobicContact CE-CB 4.41Å
611A94.4Very high94.7Very high54 Ų5469.2 Ų69.245%0.44635%0.349SS..Hα-helixtrans-60.9-32.1177.700000112.6I607 E608 H613 L673I607-A611 VanDerWaalsContact O-CB 3.3Å; I607-A611 WeakPolarHBondContact O-CB 3.48Å; I607-A611 PolarHBondContact O-N 2.94Å; E608-A611 PolarHBondContact O-N 3.47Å; A611-H613 VanDerWaalsContact C-N 3.25Å; A611-H613 PolarHBondContact O-CD2 3.02Å; A611-H613 PolarHBondContact O-N 3.37Å; A611-L673 HydrophobicContact CB-CD1 4.22Å; A611-L673 HydrophobicContact CB-CD2 3.87Å
612K95Very high94.7Very high114 Ų11462.9 Ų62.950%0.49633%0.326SS..THydrogen-bonded Turntrans-80.3-0.6173.1-68.6173.3-175.9174.90113.8E608 N609 M610 M614E608-K612 HydrophobicContact CG-CD 4.29Å; E608-K612 VanDerWaalsContact O-CG 3.3Å; E608-K612 WeakPolarHBondContact O-CG 3.46Å; E608-K612 PolarHBondContact O-N 3.39Å; E608-K612 VanDerWaalsContact O-N 3.07Å; E608-K612 WeakPolarHBondContact OE1-CE 3.45Å; E608-K612 IonicContact OE1-NZ 3.23Å; E608-K612 PolarHBondContact OE1-NZ 3.26Å; N609-K612 PolarHBondContact O-N 2.98Å; M610-K612 PolarHBondContact O-N 3.29Å; K612-M614 HydrophobicContact CB-CE 3.98Å; K612-M614 HydrophobicContact CB-CG 3.75Å; K612-M614 HydrophobicContact CB-SD 4.09Å; K612-M614 HydrophobicContact CD-CE 3.53Å; K612-M614 HydrophobicContact CD-SD 4.14Å; K612-M614 HydrophobicContact CG-CE 4.42Å; K612-M614 PolarHBondContact O-N 2.99Å
613H91.1Very high94.6Very high173 Ų17367.8 Ų67.880%0.80135%0.349SS*.THydrogen-bonded Turntrans55.927.6-174.2-60.1-163.6000113.3N609 M610 A611N609-H613 PolarHBondContact O-N 3.13Å; M610-H613 WeakPolarHBondContact O-CA 3.04Å; M610-H613 PolarHBondContact O-CD2 3.35Å; M610-H613 PolarHBondContact O-N 3.08Å; A611-H613 VanDerWaalsContact C-N 3.25Å; A611-H613 PolarHBondContact O-CD2 3.02Å; A611-H613 PolarHBondContact O-N 3.37Å
614M92.5Very high94.5Very high112 Ų11271 Ų7155%0.55237%0.366SS*.  trans-85.4-17.5-178.4-64-170.4-48.600112.5N609 K612N609-M614 HydrophobicContact CB-CE 4.36Å; N609-M614 PolarHBondContact O-N 3.45Å; N609-M614 WeakPolarHBondContact OD1-CE 3.42Å; K612-M614 HydrophobicContact CB-CE 3.98Å; K612-M614 HydrophobicContact CB-CG 3.75Å; K612-M614 HydrophobicContact CB-SD 4.09Å; K612-M614 HydrophobicContact CD-CE 3.53Å; K612-M614 HydrophobicContact CD-SD 4.14Å; K612-M614 HydrophobicContact CG-CE 4.42Å; K612-M614 PolarHBondContact O-N 2.99Å
615I92.1Very high94.6Very high38 Ų3867 Ų6720%0.19535%0.345CS..  trans-136.6154-179.164.3179000110.6Y573 L606 N609 M610 I617Y573-I615 HydrophobicContact CD1-CD1 4.44Å; Y573-I615 HydrophobicContact CD2-CD1 3.37Å; Y573-I615 HydrophobicContact CD2-CG2 3.98Å; Y573-I615 HydrophobicContact CE2-CD1 3.65Å; Y573-I615 HydrophobicContact CE2-CG2 4.01Å; Y573-I615 HydrophobicContact CG-CD1 3.81Å; L606-I615 HydrophobicContact CD1-CD1 3.64Å; N609-I615 HydrophobicContact CB-CD1 3.5Å; N609-I615 HydrophobicContact CB-CG1 3.83Å; N609-I615 HydrophobicContact CB-CG2 4.25Å; M610-I615 HydrophobicContact CG-CD1 3.99Å; M610-I615 HydrophobicContact CG-CG1 3.9Å; I615-I617 HydrophobicContact CD1-CD1 4.09Å; I615-I617 HydrophobicContact CD1-CG1 4.36Å
616L88.1Confident94.6Very high163 Ų16366.1 Ų66.185%0.85334%0.338SS*.  trans-121.4128.7168.6-173.975.5000107.4
617I92.6Very high94.6Very high12 Ų1271.6 Ų71.66%0.06236%0.363CS..  trans-106.5145.4-179.8-59-61.6000109.2Y573 L606 M610 I615 V621 L622Y573-I617 VanDerWaalsContact CB-CD1 3.43Å; Y573-I617 HydrophobicContact CG-CD1 4.39Å; L606-I617 HydrophobicContact CD1-CD1 3.53Å; L606-I617 HydrophobicContact CD1-CG1 3.57Å; M610-I617 HydrophobicContact CG-CG1 4.26Å; M610-I617 HydrophobicContact SD-CG1 4.04Å; I615-I617 HydrophobicContact CD1-CD1 4.09Å; I615-I617 HydrophobicContact CD1-CG1 4.36Å; I617-V621 HydrophobicContact CG2-CB 3.73Å; I617-V621 HydrophobicContact CG2-CG1 3.86Å; I617-L622 HydrophobicContact CB-CD1 4.47Å; I617-L622 HydrophobicContact CB-CD2 4.15Å; I617-L622 HydrophobicContact CB-CG 4.12Å; I617-L622 HydrophobicContact CG2-CD2 4.03Å; I617-L622 HydrophobicContact CG2-CG 3.84Å
618R93.3Very high94.7Very high149 Ų14971 Ų7156%0.56236%0.36SS*.  trans-66.3137.5174.1-64.4175-65.1168.16.6110.6D574 A620 V621 L622D574-R618 WeakPolarHBondContact OD1-CB 3.33Å; D574-R618 VanDerWaalsContact OD1-CG 3.27Å; D574-R618 WeakPolarHBondContact OD1-CG 3.34Å; D574-R618 IonicContact OD1-CZ 2.95Å; D574-R618 PolarHBondContact OD1-N 2.86Å; D574-R618 IonicContact OD1-NE 2.76Å; D574-R618 PolarHBondContact OD1-NE 2.95Å; D574-R618 IonicContact OD1-NH2 2.91Å; R618-A620 PolarHBondContact O-N 3.24Å; R618-A620 VanDerWaalsContact O-N 3.07Å; R618-V621 HydrophobicContact CB-CG2 4.36Å; R618-V621 PolarHBondContact O-N 3.42Å; R618-L622 PolarHBondContact O-N 3.06Å
619D93.3Very high94.8Very high123 Ų12366.2 Ų66.266%0.65834%0.338SS*.Hα-helixtrans-50.9-38.4178.9-61.6-15.8000113.1V621 L622 M623D619-V621 VanDerWaalsContact C-N 3.35Å; D619-V621 PolarHBondContact O-N 2.95Å; D619-L622 PolarHBondContact O-N 2.93Å; D619-M623 WeakPolarHBondContact O-CG 3.47Å; D619-M623 PolarHBondContact O-N 2.92Å
620A94.8Very high94.9Very high65 Ų6568.9 Ų68.954%0.53735%0.349SS..Hα-helixtrans-58-44.9176.300000112.3R618 L622 M623 D624R618-A620 PolarHBondContact O-N 3.24Å; R618-A620 VanDerWaalsContact O-N 3.07Å; A620-L622 VanDerWaalsContact C-N 3.34Å; A620-L622 PolarHBondContact O-N 3.48Å; A620-M623 PolarHBondContact O-N 3.37Å; A620-D624 VanDerWaalsContact O-CG 3.25Å; A620-D624 PolarHBondContact O-N 3.5Å
621V94.8Very high95Very high3 Ų370 Ų702%0.01835%0.354CS..Hα-helixtrans-68.6-35.9179.3178.90000110.8D574 I577 I617 R618 D619 M623 D624 C625D574-V621 HydrophobicContact CB-CG2 4.44Å; D574-V621 WeakPolarHBondContact OD1-CG2 3.4Å; I577-V621 HydrophobicContact CB-CG1 4.44Å; I577-V621 HydrophobicContact CG2-CG1 4.36Å; I617-V621 HydrophobicContact CG2-CB 3.73Å; I617-V621 HydrophobicContact CG2-CG1 3.86Å; R618-V621 HydrophobicContact CB-CG2 4.36Å; R618-V621 PolarHBondContact O-N 3.42Å; D619-V621 VanDerWaalsContact C-N 3.35Å; D619-V621 PolarHBondContact O-N 2.95Å; V621-M623 VanDerWaalsContact C-N 3.34Å; V621-D624 PolarHBondContact O-N 3.29Å; V621-C625 PolarHBondContact O-N 3.26Å; V621-C625 PolarHBondContact O-SG 3.35Å
622L95.4Very high95.1Very high15 Ų1567.4 Ų67.48%0.07933%0.333CS..Hα-helixtrans-63.4-40173.9-68.9171.2000111.9M610 I617 R618 D619 A620 C625 I626 L670 I674M610-L622 HydrophobicContact CE-CD1 4.42Å; M610-L622 HydrophobicContact CE-CD2 3.66Å; M610-L622 HydrophobicContact SD-CD2 3.88Å; I617-L622 HydrophobicContact CB-CD1 4.47Å; I617-L622 HydrophobicContact CB-CD2 4.15Å; I617-L622 HydrophobicContact CB-CG 4.12Å; I617-L622 HydrophobicContact CG2-CD2 4.03Å; I617-L622 HydrophobicContact CG2-CG 3.84Å; R618-L622 PolarHBondContact O-N 3.06Å; D619-L622 PolarHBondContact O-N 2.93Å; A620-L622 VanDerWaalsContact C-N 3.34Å; A620-L622 PolarHBondContact O-N 3.48Å; L622-C625 WeakPolarHBondContact O-CB 3.37Å; L622-C625 PolarHBondContact O-N 3.22Å; L622-I626 WeakPolarHBondContact O-CG1 3.34Å; L622-I626 PolarHBondContact O-N 3.2Å; L622-I626 VanDerWaalsContact O-N 3.08Å; L622-L670 HydrophobicContact CD2-CD1 3.93Å; L622-I674 HydrophobicContact CB-CD1 4.13Å; L622-I674 HydrophobicContact CD1-CD1 4.46Å; L622-I674 HydrophobicContact CD1-CG1 4.23Å; L622-I674 HydrophobicContact CD2-CD1 4.35Å
623M95.9Very high95.2Very high109 Ų10964.9 Ų64.954%0.53732%0.323SS..Hα-helixtrans-66.1-42.7174.7-65.1-61.6154.500111.5D619 A620 V621 C625 I626 Q627D619-M623 WeakPolarHBondContact O-CG 3.47Å; D619-M623 PolarHBondContact O-N 2.92Å; A620-M623 PolarHBondContact O-N 3.37Å; V621-M623 VanDerWaalsContact C-N 3.34Å; M623-C625 VanDerWaalsContact C-N 3.26Å; M623-C625 PolarHBondContact O-N 2.77Å; M623-I626 PolarHBondContact O-N 3.07Å; M623-I626 HydrophobicContact SD-CD1 4.3Å; M623-Q627 PolarHBondContact O-N 3.19Å
624D97.4Very high95.4Very high68 Ų6862.2 Ų62.236%0.36431%0.314SS..Hα-helixtrans-59.6-38.2174.3-65.4-18.5000111.3I581 A620 V621 Q627 F628I581-D624 HydrophobicContact CD1-CB 3.93Å; A620-D624 VanDerWaalsContact O-CG 3.25Å; A620-D624 PolarHBondContact O-N 3.5Å; V621-D624 PolarHBondContact O-N 3.29Å; D624-Q627 PolarHBondContact O-N 3.21Å; D624-F628 VanDerWaalsContact O-CB 3.25Å; D624-F628 WeakPolarHBondContact O-CB 3.24Å; D624-F628 PolarHBondContact O-N 2.91Å
625C97.6Very high95.5Very high0 Ų061.5 Ų61.50%031%0.306CS..Hα-helixtrans-62.4-46175.1-70.80000112.3I577 F603 V621 L622 M623 F628 L629 L670I577-C625 WeakPolarHBondContact CG2-SG 3.25Å; F603-C625 HydrophobicContact CE1-CB 3.77Å; V621-C625 PolarHBondContact O-N 3.26Å; V621-C625 PolarHBondContact O-SG 3.35Å; L622-C625 WeakPolarHBondContact O-CB 3.37Å; L622-C625 PolarHBondContact O-N 3.22Å; M623-C625 VanDerWaalsContact C-N 3.26Å; M623-C625 PolarHBondContact O-N 2.77Å; C625-F628 PolarHBondContact O-N 2.8Å; C625-L629 VanDerWaalsContact O-CG 3.26Å; C625-L629 WeakPolarHBondContact O-CG 3.36Å; C625-L629 PolarHBondContact O-N 2.89Å; C625-L670 HydrophobicContact CB-CD2 3.53Å
626I97.4Very high95.6Very high22 Ų2259.7 Ų59.711%0.11330%0.296CS..Hα-helixtrans-61.7-47.7177.7-67.4165.3000109.7L622 M623 F628 L629 E630 L670 L671 I674L622-I626 WeakPolarHBondContact O-CG1 3.34Å; L622-I626 PolarHBondContact O-N 3.2Å; L622-I626 VanDerWaalsContact O-N 3.08Å; M623-I626 PolarHBondContact O-N 3.07Å; M623-I626 HydrophobicContact SD-CD1 4.3Å; I626-F628 PolarHBondContact O-N 3.04Å; I626-L629 PolarHBondContact O-N 3.27Å; I626-E630 WeakPolarHBondContact O-CG 3.42Å; I626-E630 PolarHBondContact O-N 3.45Å; I626-L670 HydrophobicContact CG1-CD2 4.11Å; I626-L671 HydrophobicContact CD1-CD2 3.76Å; I626-L671 HydrophobicContact CG1-CD2 4.33Å; I626-I674 HydrophobicContact CD1-CD1 3.87Å
627Q97.6Very high95.7Very high114 Ų11461 Ų6153%0.53329%0.29SS..Hα-helixtrans-60.3-45.4178.2-177.7178.7-7.200111.6M623 D624 L629 E630 Q631M623-Q627 PolarHBondContact O-N 3.19Å; D624-Q627 PolarHBondContact O-N 3.21Å; Q627-L629 PolarHBondContact O-N 3.35Å; Q627-E630 WeakPolarHBondContact O-CB 3.29Å; Q627-E630 PolarHBondContact O-N 3.04Å; Q627-Q631 WeakPolarHBondContact O-CG 3.48Å; Q627-Q631 PolarHBondContact O-N 3.46Å
628F98Very high95.5Very high1 Ų167.7 Ų67.70%0.00433%0.326CS..Hα-helixtrans-58-46.1176.5167.5-101.3000112.2I581 L584 Y587 W596 A599 F603 D624 C625 I626 E630 Q631 C632I581-F628 HydrophobicContact CB-CD2 4.18Å; I581-F628 HydrophobicContact CB-CG 4.47Å; I581-F628 HydrophobicContact CD1-CB 4.01Å; I581-F628 HydrophobicContact CD1-CG 4.45Å; I581-F628 HydrophobicContact CG1-CB 3.83Å; I581-F628 HydrophobicContact CG1-CD1 4.31Å; I581-F628 HydrophobicContact CG1-CD2 3.96Å; I581-F628 HydrophobicContact CG1-CG 3.77Å; I581-F628 HydrophobicContact CG2-CB 4.14Å; I581-F628 HydrophobicContact CG2-CD2 3.96Å; I581-F628 HydrophobicContact CG2-CG 4.34Å; L584-F628 HydrophobicContact CB-CE2 4.11Å; L584-F628 HydrophobicContact CD1-CE2 4.16Å; L584-F628 HydrophobicContact CD1-CZ 4.18Å; L584-F628 HydrophobicContact CD2-CE2 4.3Å; L584-F628 HydrophobicContact CD2-CZ 4.21Å; L584-F628 HydrophobicContact CG-CE2 4.43Å; Y587-F628 AromaticContact CE1-CD2 3.71Å; Y587-F628 HydrophobicContact CE1-CD2 3.71Å; Y587-F628 AromaticContact CE1-CE2 3.87Å; Y587-F628 HydrophobicContact CE1-CE2 3.87Å; W596-F628 HydrophobicContact CZ3-CE1 4.1Å; W596-F628 HydrophobicContact CZ3-CZ 4.24Å; A599-F628 HydrophobicContact CB-CZ 4.47Å; F603-F628 HydrophobicContact CD2-CE1 4.18Å; F603-F628 AromaticContact CE1-CD1 3.93Å; F603-F628 HydrophobicContact CE1-CD1 3.93Å; F603-F628 HydrophobicContact CE1-CE1 4.36Å; F603-F628 AromaticContact CE2-CD1 3.69Å; F603-F628 HydrophobicContact CE2-CD1 3.69Å; F603-F628 AromaticContact CE2-CE1 3.42Å; F603-F628 HydrophobicContact CE2-CE1 3.42Å; F603-F628 VanDerWaalsContact CE2-CE1 3.42Å; F603-F628 HydrophobicContact CE2-CZ 4.25Å; F603-F628 AromaticContact CZ-CD1 3.25Å; F603-F628 HydrophobicContact CZ-CD1 3.25Å; F603-F628 AromaticContact CZ-CE1 3.54Å; F603-F628 HydrophobicContact CZ-CE1 3.54Å; F603-F628 HydrophobicContact CZ-CG 4.13Å; D624-F628 VanDerWaalsContact O-CB 3.25Å; D624-F628 WeakPolarHBondContact O-CB 3.24Å; D624-F628 PolarHBondContact O-N 2.91Å; C625-F628 PolarHBondContact O-N 2.8Å; I626-F628 PolarHBondContact O-N 3.04Å; F628-E630 VanDerWaalsContact C-N 3.31Å; F628-E630 PolarHBondContact O-N 3.27Å; F628-Q631 PolarHBondContact O-N 2.7Å; F628-C632 VanDerWaalsContact CE2-SG 3.58Å; F628-C632 WeakPolarHBondContact CZ-SG 3.37Å; F628-C632 PolarHBondContact O-N 3.45Å; F628-C632 PolarHBondContact O-SG 3.26Å
629L98.1Very high95.3Very high0 Ų062.5 Ų62.50%031%0.309CS..Hα-helixtrans-66.8-33.4179.4-68169.3000111.9W596 F603 C625 I626 Q627 C632 E633 A663 L666 K667 L670W596-L629 HydrophobicContact CH2-CD2 4.02Å; F603-L629 HydrophobicContact CD1-CD1 4.38Å; F603-L629 HydrophobicContact CD1-CD2 4.5Å; F603-L629 HydrophobicContact CE1-CD1 4.43Å; F603-L629 HydrophobicContact CE1-CG 4.37Å; C625-L629 VanDerWaalsContact O-CG 3.26Å; C625-L629 WeakPolarHBondContact O-CG 3.36Å; C625-L629 PolarHBondContact O-N 2.89Å; I626-L629 PolarHBondContact O-N 3.27Å; Q627-L629 PolarHBondContact O-N 3.35Å; L629-C632 PolarHBondContact O-N 3.26Å; L629-E633 WeakPolarHBondContact O-CB 3.21Å; L629-E633 PolarHBondContact O-N 3.19Å; L629-A663 HydrophobicContact CD2-CB 4.44Å; L629-L666 HydrophobicContact CD1-CB 4.07Å; L629-L666 HydrophobicContact CD2-CB 3.93Å; L629-L666 HydrophobicContact CD2-CD1 4.15Å; L629-K667 HydrophobicContact CB-CB 4.05Å; L629-K667 HydrophobicContact CD1-CB 3.96Å; L629-L670 HydrophobicContact CD1-CD2 4.44Å
630E97.8Very high95.1Very high83 Ų8361.7 Ų61.739%0.38830%0.3SS..Hα-helixtrans-64.5-40.1171.1-73174.7169.600112.6I626 Q627 F628 E633 L634 K667I626-E630 WeakPolarHBondContact O-CG 3.42Å; I626-E630 PolarHBondContact O-N 3.45Å; Q627-E630 WeakPolarHBondContact O-CB 3.29Å; Q627-E630 PolarHBondContact O-N 3.04Å; F628-E630 VanDerWaalsContact C-N 3.31Å; F628-E630 PolarHBondContact O-N 3.27Å; E630-E633 WeakPolarHBondContact O-CB 3.45Å; E630-E633 PolarHBondContact O-N 3.3Å; E630-L634 PolarHBondContact O-N 2.79Å; E630-K667 HydrophobicContact CG-CD 4.07Å; E630-K667 IonicContact OE1-NZ 2.66Å; E630-K667 PolarHBondContact OE1-NZ 2.95Å
631Q97.7Very high94.7Very high52 Ų5258.7 Ų58.724%0.24328%0.275CS..Hα-helixtrans-66.2-43.1174.3-63.3-55.1-50.500111.1Y587 Q627 F628 E633 L634 Y635Y587-Q631 HydrophobicContact CD1-CB 4.22Å; Y587-Q631 HydrophobicContact CD2-CB 3.77Å; Y587-Q631 HydrophobicContact CD2-CG 4.12Å; Y587-Q631 HydrophobicContact CE1-CB 4.08Å; Y587-Q631 HydrophobicContact CE2-CB 3.65Å; Y587-Q631 HydrophobicContact CE2-CG 3.67Å; Y587-Q631 HydrophobicContact CG-CB 4.08Å; Q627-Q631 WeakPolarHBondContact O-CG 3.48Å; Q627-Q631 PolarHBondContact O-N 3.46Å; F628-Q631 PolarHBondContact O-N 2.7Å; Q631-E633 VanDerWaalsContact C-N 3.29Å; Q631-E633 PolarHBondContact O-N 2.81Å; Q631-L634 PolarHBondContact O-N 3.4Å; Q631-L634 VanDerWaalsContact O-N 3.16Å; Q631-Y635 HydrophobicContact CB-CD2 4.47Å; Q631-Y635 VanDerWaalsContact O-CD2 3.27Å; Q631-Y635 WeakPolarHBondContact O-CD2 3.47Å; Q631-Y635 PolarHBondContact O-N 2.97Å
632C97.4Very high94Very high0 Ų061.5 Ų61.50%029%0.292CS..Hα-helixtrans-63.3-36.1175.2-65.80000112.1W596 F628 L629 L634 G636 I659 A663W596-C632 HydrophobicContact CE3-CB 4.5Å; W596-C632 HydrophobicContact CH2-CB 4.31Å; W596-C632 HydrophobicContact CZ3-CB 3.84Å; F628-C632 VanDerWaalsContact CE2-SG 3.58Å; F628-C632 WeakPolarHBondContact CZ-SG 3.37Å; F628-C632 PolarHBondContact O-N 3.45Å; F628-C632 PolarHBondContact O-SG 3.26Å; L629-C632 PolarHBondContact O-N 3.26Å; C632-L634 VanDerWaalsContact C-N 3.35Å; C632-G636 VanDerWaalsContact O-CA 3.26Å; C632-G636 WeakPolarHBondContact O-CA 3.4Å; C632-G636 PolarHBondContact O-N 3.48Å; C632-I659 HydrophobicContact CB-CG2 4.3Å; C632-A663 HydrophobicContact CB-CB 3.9Å
633E96.2Very high92.8Very high61 Ų6165.1 Ų65.129%0.28531%0.31SS..Hα-helixtrans-59.3-45.6172-174.4-178.9169.500111.5L629 E630 Q631 T660 A663 R664L629-E633 WeakPolarHBondContact O-CB 3.21Å; L629-E633 PolarHBondContact O-N 3.19Å; E630-E633 WeakPolarHBondContact O-CB 3.45Å; E630-E633 PolarHBondContact O-N 3.3Å; Q631-E633 VanDerWaalsContact C-N 3.29Å; Q631-E633 PolarHBondContact O-N 2.81Å; E633-T660 HydrophobicContact CG-CG2 3.86Å; E633-T660 WeakPolarHBondContact O-CG2 3.39Å; E633-T660 PolarHBondContact O-OG1 3.49Å; E633-A663 HydrophobicContact CB-CB 4.47Å; E633-R664 HydrophobicContact CG-CG 3.74Å; E633-R664 WeakPolarHBondContact OE1-CD 3.49Å; E633-R664 WeakPolarHBondContact OE1-CG 3.13Å; E633-R664 WeakPolarHBondContact OE2-CG 3.42Å
634L95.8Very high91.3Very high116 Ų11662.6 Ų62.661%0.60730%0.299SS*.Hα-helixtrans-69.1-50.3-178.5-179.463.6000112.8E630 Q631 C632E630-L634 PolarHBondContact O-N 2.79Å; Q631-L634 PolarHBondContact O-N 3.4Å; Q631-L634 VanDerWaalsContact O-N 3.16Å; C632-L634 VanDerWaalsContact C-N 3.35Å
635Y95Very high89.4Confident97 Ų9765 Ų6538%0.3831%0.308SS..Hα-helixtrans-83.9-19.8-175.1-71.4-77.3000113.4Y587 H588 Q631 R637 I639Y587-Y635 VanDerWaalsContact CB-CD2 3.48Å; Y587-Y635 HydrophobicContact CD2-CD2 4.23Å; Y587-Y635 HydrophobicContact CD2-CE2 4.13Å; Y587-Y635 HydrophobicContact CG-CD2 4.08Å; Y587-Y635 HydrophobicContact CG-CE2 4.42Å; H588-Y635 HydrophobicContact CB-CD1 3.93Å; H588-Y635 HydrophobicContact CB-CE1 3.85Å; Q631-Y635 HydrophobicContact CB-CD2 4.47Å; Q631-Y635 VanDerWaalsContact O-CD2 3.27Å; Q631-Y635 WeakPolarHBondContact O-CD2 3.47Å; Q631-Y635 PolarHBondContact O-N 2.97Å; Y635-R637 VanDerWaalsContact C-N 3.31Å; Y635-R637 PolarHBondContact O-N 3.48Å; Y635-I639 WeakPolarHBondContact O-CD1 3.41Å
636G93.6Very high87.3Confident0 Ų068.6 Ų68.60%033%0.332CS..THydrogen-bonded Turntrans-812.1-176.400000116C632 N638 I639 T660C632-G636 VanDerWaalsContact O-CA 3.26Å; C632-G636 WeakPolarHBondContact O-CA 3.4Å; C632-G636 PolarHBondContact O-N 3.48Å; G636-N638 VanDerWaalsContact C-N 3.3Å; G636-N638 PolarHBondContact O-N 3.29Å; G636-I639 PolarHBondContact O-N 3.38Å; G636-I639 VanDerWaalsContact O-N 3.17Å; G636-T660 PolarHBondContact O-OG1 3.27Å
637R90.1Very high85.3Confident190 Ų19073 Ų7372%0.71735%0.354SS*.THydrogen-bonded Turntrans-61-36.9-166.8-174.9177.4177.8-179.8-0.8113.8Y635 T660Y635-R637 VanDerWaalsContact C-N 3.31Å; Y635-R637 PolarHBondContact O-N 3.48Å; R637-T660 WeakPolarHBondContact CA-OG1 3.32Å; R637-T660 PolarHBondContact N-OG1 3.11Å
638N87.4Confident83.2Confident153 Ų15373.4 Ų73.482%0.81836%0.356SS*.THydrogen-bonded Turntrans-110.916-178.2-62.3-21000112.1G636G636-N638 VanDerWaalsContact C-N 3.3Å; G636-N638 PolarHBondContact O-N 3.29Å
639I90.3Very high80.9Confident41 Ų4177.9 Ų77.921%0.2139%0.387CS..SBendtrans-112.1123.5-177-49.7179000108.5L591 P593 Y635 G636 T658 I659L591-I639 HydrophobicContact CB-CD1 4.42Å; L591-I639 HydrophobicContact CD2-CD1 4.22Å; L591-I639 HydrophobicContact CG-CD1 4.15Å; P593-I639 HydrophobicContact CG-CG2 4.23Å; Y635-I639 WeakPolarHBondContact O-CD1 3.41Å; G636-I639 PolarHBondContact O-N 3.38Å; G636-I639 VanDerWaalsContact O-N 3.17Å; I639-T658 WeakPolarHBondContact O-CA 3.28Å; I639-I659 HydrophobicContact CB-CD1 3.85Å; I639-I659 HydrophobicContact CB-CG1 4.29Å; I639-I659 HydrophobicContact CG2-CD1 3.45Å; I639-I659 VanDerWaalsContact CG2-CD1 3.45Å; I639-I659 HydrophobicContact CG2-CG1 4.19Å; I639-I659 PolarHBondContact O-N 2.69Å
640K89Confident79Confident105 Ų10585 Ų8546%0.45742%0.421SS..  trans-62.4143.7175.2-68.5-177.7178.8175.50110.6P593 V642 D644 N657P593-K640 WeakPolarHBondContact CG-O 3.22Å; K640-V642 WeakPolarHBondContact CB-O 3.25Å; K640-D644 IonicContact NZ-OD2 2.98Å; K640-D644 PolarHBondContact NZ-OD2 3.03Å; K640-N657 WeakPolarHBondContact CA-O 3.42Å
641A86.2Confident77.2Confident2 Ų291.2 Ų91.22%0.01745%0.446CS..SBendtrans-84.2-17.8177.100000113N657 E662A641-N657 PolarHBondContact N-OD1 2.77Å; A641-E662 HydrophobicContact CB-CG 4.17Å
642V80.6Confident75.8Confident62 Ų6291.9 Ų91.938%0.37645%0.451SS..SBendtrans-130.6135.8179-176.10000108.3K640 I652 N657K640-V642 WeakPolarHBondContact CB-O 3.25Å; V642-I652 HydrophobicContact CB-CD1 4.43Å; V642-I652 HydrophobicContact CG2-CD1 4.28Å; V642-N657 PolarHBondContact N-OD1 3.09Å
643I70.4Confident74.7Confident91 Ų9197.6 Ų97.647%0.46748%0.477SS..PPolyproline II helixtrans-75.9123.2171.4-59.3-177.3000107.4P593 D594 Q645P593-I643 HydrophobicContact CB-CD1 4.01Å; P593-I643 HydrophobicContact CB-CG1 3.39Å; P593-I643 HydrophobicContact CG-CG1 4.06Å; D594-I643 VanDerWaalsContact CG-CD1 3.45Å; D594-I643 WeakPolarHBondContact OD1-CD1 3.26Å; D594-I643 WeakPolarHBondContact OD2-CD1 3.3Å; I643-Q645 PolarHBondContact O-N 2.93Å
644D63.8Low73.5Confident56 Ų5699.5 Ų99.530%0.29950%0.495SS..PPolyproline II helixtrans-65.2130.7169-61.9-37.5000107.5K640K640-D644 IonicContact NZ-OD2 2.98Å; K640-D644 PolarHBondContact NZ-OD2 3.03Å
645Q57.1Low72.6Confident118 Ų11895.9 Ų95.955%0.55149%0.486SS*.PPolyproline II helixtrans-62.7142.8167.1-68.1-1764.200107.6I643 I647 E648I643-Q645 PolarHBondContact O-N 2.93Å; Q645-I647 PolarHBondContact O-N 3.22Å; Q645-E648 HydrophobicContact CB-CB 4.14Å; Q645-E648 PolarHBondContact O-N 3.13Å
646P54Low71.9Confident77 Ų7795.8 Ų95.850%0.549%0.489SS..SBendtrans-54.6-23.3-172.4-30.338.6000114.6D286 Y318D286-P646 WeakPolarHBondContact OD1-CB 3.43Å; Y318-P646 VanDerWaalsContact OH-CG 3.26Å; Y318-P646 WeakPolarHBondContact OH-CG 3.29Å
647I54.8Low71.5Confident113 Ų11396.5 Ų96.558%0.57949%0.493SS*.SBendtrans-117.1-26-177-54.7177.6000112.4L321 Q645L321-I647 HydrophobicContact CD1-CD1 3.69Å; Q645-I647 PolarHBondContact O-N 3.22Å
648E53.2Low71.7Confident123 Ų12388.6 Ų88.658%0.57547%0.466SS*.  trans-106.599-178-63.8-167.4170.300112.4Q645Q645-E648 HydrophobicContact CB-CB 4.14Å; Q645-E648 PolarHBondContact O-N 3.13Å
649S51.6Low72Confident95 Ų9581.3 Ų81.366%0.66443%0.427SS*.  trans-91.3100.8171.255.40000111.2K651S649-K651 PolarHBondContact O-N 2.93Å
650Q56.6Low72.3Confident150 Ų15080.5 Ų80.570%0.70142%0.424SS*.  trans-69.1127.4161.2-71.2-173.93.500109.2I652Q650-I652 VanDerWaalsContact C-N 3.29Å; Q650-I652 PolarHBondContact O-N 2.71Å
651K60.7Low72.6Confident213 Ų21379.5 Ų79.593%0.92642%0.418SS*.  trans-73.677.9178.1-70.1-175.6-179.61780111.3S649S649-K651 PolarHBondContact O-N 2.93Å
652I67.2Low73Confident67 Ų6781.6 Ų81.634%0.34443%0.427SS..  trans-79.6139168.6-52.7175.3000108.5V642 Q650 N657V642-I652 HydrophobicContact CB-CD1 4.43Å; V642-I652 HydrophobicContact CG2-CD1 4.28Å; Q650-I652 VanDerWaalsContact C-N 3.29Å; Q650-I652 PolarHBondContact O-N 2.71Å; I652-N657 HydrophobicContact CB-CB 4.05Å; I652-N657 HydrophobicContact CG2-CB 3.72Å
653H75.8Confident73.8Confident119 Ų11978.6 Ų78.655%0.55141%0.409SS*.  trans-56.4127.9175.9-177-84.7000109.8G655 Q656 N657H653-G655 PolarHBondContact ND1-N 3.48Å; H653-G655 VanDerWaalsContact ND1-N 3.14Å; H653-G655 PolarHBondContact O-N 2.9Å; H653-G655 VanDerWaalsContact O-N 3.14Å; H653-Q656 HydrophobicContact CB-CB 4.31Å; H653-Q656 HydrophobicContact CB-CG 4.3Å; H653-Q656 WeakPolarHBondContact O-CA 3.34Å; H653-Q656 PolarHBondContact O-N 3.38Å; H653-N657 PolarHBondContact O-N 3.41Å
654P70.5Confident75.1Confident102 Ų10281.3 Ų81.366%0.66241%0.413SS*.THydrogen-bonded Turntrans-60.1-34.2-170.719.3-31000112.9Q656P654-Q656 VanDerWaalsContact C-N 3.29Å; P654-Q656 PolarHBondContact O-N 3.07Å
655G75.9Confident76.6Confident40 Ų4082.7 Ų82.741%0.41242%0.42SS..THydrogen-bonded Turntrans-70.7-18.6174.900000115.2H653H653-G655 PolarHBondContact ND1-N 3.48Å; H653-G655 VanDerWaalsContact ND1-N 3.14Å; H653-G655 PolarHBondContact O-N 2.9Å; H653-G655 VanDerWaalsContact O-N 3.14Å
656Q81.1Confident78.6Confident95 Ų9577.6 Ų77.644%0.44440%0.397SS..THydrogen-bonded Turntrans-98.4-24.3178.5-67.9-178.6-19.300112.3H653 P654 T658 Y661H653-Q656 HydrophobicContact CB-CB 4.31Å; H653-Q656 HydrophobicContact CB-CG 4.3Å; H653-Q656 WeakPolarHBondContact O-CA 3.34Å; H653-Q656 PolarHBondContact O-N 3.38Å; P654-Q656 VanDerWaalsContact C-N 3.29Å; P654-Q656 PolarHBondContact O-N 3.07Å; Q656-T658 PolarHBondContact O-N 3.19Å; Q656-Y661 HydrophobicContact CB-CD1 4.12Å; Q656-Y661 HydrophobicContact CB-CE1 4.05Å; Q656-Y661 HydrophobicContact CG-CD1 4.4Å; Q656-Y661 HydrophobicContact CG-CE1 4.01Å; Q656-Y661 HydrophobicContact CG-CE2 4.15Å; Q656-Y661 WeakPolarHBondContact O-CD1 3.46Å
657N85.9Confident80.6Confident14 Ų1475.8 Ų75.88%0.07538%0.381CS..SBendtrans-83.853.1173.5-166.97.8000111.5K640 A641 V642 I652 H653K640-N657 WeakPolarHBondContact CA-O 3.42Å; A641-N657 PolarHBondContact N-OD1 2.77Å; V642-N657 PolarHBondContact N-OD1 3.09Å; I652-N657 HydrophobicContact CB-CB 4.05Å; I652-N657 HydrophobicContact CG2-CB 3.72Å; H653-N657 PolarHBondContact O-N 3.41Å
658T92.7Very high82.7Confident25 Ų2573 Ų7315%0.15337%0.372CS..SBendtrans-132.6145.6173.761.90000110.5I639 Q656 T660 Y661 E662I639-T658 WeakPolarHBondContact O-CA 3.28Å; Q656-T658 PolarHBondContact O-N 3.19Å; T658-T660 PolarHBondContact O-N 3Å; T658-Y661 PolarHBondContact O-N 3.43Å; T658-Y661 VanDerWaalsContact O-N 3.12Å; T658-Y661 WeakPolarHBondContact OG1-CB 3.25Å; T658-Y661 PolarHBondContact OG1-N 3.05Å; T658-E662 PolarHBondContact O-N 3.29Å
659I95Very high84.7Confident0 Ų070.7 Ų70.70%036%0.363CS..Hα-helixtrans-57.9-38.1173.3-66.6-178000110.2L591 W596 C632 I639 Y661 E662 A663L591-I659 HydrophobicContact CD1-CD1 3.98Å; L591-I659 HydrophobicContact CD1-CG2 4.16Å; L591-I659 HydrophobicContact CD2-CG2 4.19Å; L591-I659 HydrophobicContact CG-CD1 3.94Å; L591-I659 HydrophobicContact CG-CG2 4.48Å; W596-I659 HydrophobicContact CB-CD1 3.68Å; W596-I659 HydrophobicContact CB-CG1 4.17Å; W596-I659 HydrophobicContact CD2-CG1 4.37Å; W596-I659 HydrophobicContact CD2-CG2 3.71Å; W596-I659 HydrophobicContact CE3-CG2 3.97Å; W596-I659 HydrophobicContact CG-CB 4.46Å; W596-I659 HydrophobicContact CG-CD1 3.85Å; W596-I659 HydrophobicContact CG-CG1 3.8Å; W596-I659 HydrophobicContact CG-CG2 4.05Å; W596-I659 HydrophobicContact CZ2-CG2 4.31Å; W596-I659 HydrophobicContact CZ3-CG2 4.38Å; C632-I659 HydrophobicContact CB-CG2 4.3Å; I639-I659 HydrophobicContact CB-CD1 3.85Å; I639-I659 HydrophobicContact CB-CG1 4.29Å; I639-I659 HydrophobicContact CG2-CD1 3.45Å; I639-I659 VanDerWaalsContact CG2-CD1 3.45Å; I639-I659 HydrophobicContact CG2-CG1 4.19Å; I639-I659 PolarHBondContact O-N 2.69Å; I659-Y661 VanDerWaalsContact C-N 3.29Å; I659-Y661 PolarHBondContact O-N 3.22Å; I659-E662 PolarHBondContact O-N 3.35Å; I659-A663 VanDerWaalsContact O-CB 3.28Å; I659-A663 WeakPolarHBondContact O-CB 3.22Å; I659-A663 PolarHBondContact O-N 2.98Å
660T95.8Very high86.8Confident23 Ų2366.2 Ų66.214%0.14133%0.331CS..Hα-helixtrans-54.1-44.9175.4-66.30000112.8E633 G636 R637 T658 R664E633-T660 HydrophobicContact CG-CG2 3.86Å; E633-T660 WeakPolarHBondContact O-CG2 3.39Å; E633-T660 PolarHBondContact O-OG1 3.49Å; G636-T660 PolarHBondContact O-OG1 3.27Å; R637-T660 WeakPolarHBondContact CA-OG1 3.32Å; R637-T660 PolarHBondContact N-OG1 3.11Å; T658-T660 PolarHBondContact O-N 3Å; T660-R664 WeakPolarHBondContact O-CG 3.35Å; T660-R664 PolarHBondContact O-N 3.12Å
661Y95.1Very high88.6Confident85 Ų8561.6 Ų61.633%0.33331%0.311SS..Hα-helixtrans-64.9-49.2179.8177.7-100.1000111.6Q656 T658 I659 A663 R664 L665Q656-Y661 HydrophobicContact CB-CD1 4.12Å; Q656-Y661 HydrophobicContact CB-CE1 4.05Å; Q656-Y661 HydrophobicContact CG-CD1 4.4Å; Q656-Y661 HydrophobicContact CG-CE1 4.01Å; Q656-Y661 HydrophobicContact CG-CE2 4.15Å; Q656-Y661 WeakPolarHBondContact O-CD1 3.46Å; T658-Y661 PolarHBondContact O-N 3.43Å; T658-Y661 VanDerWaalsContact O-N 3.12Å; T658-Y661 WeakPolarHBondContact OG1-CB 3.25Å; T658-Y661 PolarHBondContact OG1-N 3.05Å; I659-Y661 VanDerWaalsContact C-N 3.29Å; I659-Y661 PolarHBondContact O-N 3.22Å; Y661-A663 PolarHBondContact O-N 3.28Å; Y661-R664 PolarHBondContact O-N 3.12Å; Y661-L665 HydrophobicContact CD1-CD1 4.03Å; Y661-L665 HydrophobicContact CE1-CD1 3.43Å; Y661-L665 VanDerWaalsContact CE1-CD1 3.43Å; Y661-L665 HydrophobicContact CE1-CG 4.28Å; Y661-L665 PolarHBondContact O-N 3.38Å
662E95.8Very high90.3Very high45 Ų4557.1 Ų57.121%0.2129%0.294CS..Hα-helixtrans-65.3-38.8179.5-68.5-170.3167.500112.4W596 K600 A641 T658 I659 R664 L665 L666W596-E662 HydrophobicContact CZ2-CB 3.88Å; W596-E662 PolarHBondContact NE1-OE2 3.34Å; K600-E662 WeakPolarHBondContact CD-OE2 3.32Å; K600-E662 WeakPolarHBondContact CE-OE2 3.39Å; K600-E662 VanDerWaalsContact NZ-CD 3.28Å; K600-E662 IonicContact NZ-OE1 3.7Å; K600-E662 PolarHBondContact NZ-OE1 3Å; K600-E662 IonicContact NZ-OE2 3.75Å; K600-E662 PolarHBondContact NZ-OE2 3.26Å; A641-E662 HydrophobicContact CB-CG 4.17Å; T658-E662 PolarHBondContact O-N 3.29Å; I659-E662 PolarHBondContact O-N 3.35Å; E662-R664 VanDerWaalsContact C-N 3.34Å; E662-R664 PolarHBondContact O-N 3.41Å; E662-L665 PolarHBondContact O-N 3.05Å; E662-L666 WeakPolarHBondContact O-CG 3.09Å; E662-L666 PolarHBondContact O-N 3.37Å
663A97.5Very high91.4Very high0 Ų056.4 Ų56.40%029%0.29CS..Hα-helixtrans-61.3-41.4177.200000112W596 L629 C632 E633 I659 Y661 L665 L666 K667W596-A663 HydrophobicContact CH2-CB 3.84Å; W596-A663 HydrophobicContact CZ2-CB 4.2Å; L629-A663 HydrophobicContact CD2-CB 4.44Å; C632-A663 HydrophobicContact CB-CB 3.9Å; E633-A663 HydrophobicContact CB-CB 4.47Å; I659-A663 VanDerWaalsContact O-CB 3.28Å; I659-A663 WeakPolarHBondContact O-CB 3.22Å; I659-A663 PolarHBondContact O-N 2.98Å; Y661-A663 PolarHBondContact O-N 3.28Å; A663-L665 VanDerWaalsContact C-N 3.35Å; A663-L665 PolarHBondContact O-N 3.42Å; A663-L666 PolarHBondContact O-N 3.19Å; A663-K667 WeakPolarHBondContact O-CB 3.42Å; A663-K667 PolarHBondContact O-N 3.41Å
664R97Very high92.1Very high148 Ų14853.7 Ų53.756%0.55828%0.279SS*.Hα-helixtrans-62.5-40174.7-76.1175.662-179.7-1.6112.6E633 T660 Y661 E662 K667 S668E633-R664 HydrophobicContact CG-CG 3.74Å; E633-R664 WeakPolarHBondContact OE1-CD 3.49Å; E633-R664 WeakPolarHBondContact OE1-CG 3.13Å; E633-R664 WeakPolarHBondContact OE2-CG 3.42Å; T660-R664 WeakPolarHBondContact O-CG 3.35Å; T660-R664 PolarHBondContact O-N 3.12Å; Y661-R664 PolarHBondContact O-N 3.12Å; E662-R664 VanDerWaalsContact C-N 3.34Å; E662-R664 PolarHBondContact O-N 3.41Å; R664-K667 PolarHBondContact O-N 2.87Å; R664-S668 WeakPolarHBondContact O-CB 3.41Å; R664-S668 PolarHBondContact O-N 3.22Å
665L96Very high92.8Very high84 Ų8456.6 Ų56.644%0.4428%0.284SS..Hα-helixtrans-64.5-49.5177-70.5177.6000111.2Y661 E662 A663 K667 S668 L669Y661-L665 HydrophobicContact CD1-CD1 4.03Å; Y661-L665 HydrophobicContact CE1-CD1 3.43Å; Y661-L665 VanDerWaalsContact CE1-CD1 3.43Å; Y661-L665 HydrophobicContact CE1-CG 4.28Å; Y661-L665 PolarHBondContact O-N 3.38Å; E662-L665 PolarHBondContact O-N 3.05Å; A663-L665 VanDerWaalsContact C-N 3.35Å; A663-L665 PolarHBondContact O-N 3.42Å; L665-K667 VanDerWaalsContact C-N 3.27Å; L665-K667 PolarHBondContact O-N 3.48Å; L665-S668 WeakPolarHBondContact O-CB 3.29Å; L665-S668 PolarHBondContact O-N 3.27Å; L665-L669 WeakPolarHBondContact O-CG 3.49Å; L665-L669 PolarHBondContact O-N 3.41Å
666L97.6Very high92.8Very high11 Ų1160.3 Ų60.36%0.05832%0.322CS..Hα-helixtrans-59.5-40.4177.2-68177.3000111.7W596 K600 F603 L604 I607 L629 E662 A663 L669 L670W596-L666 HydrophobicContact CH2-CD1 3.95Å; W596-L666 HydrophobicContact CZ2-CD1 3.98Å; K600-L666 HydrophobicContact CB-CD1 4.09Å; F603-L666 HydrophobicContact CB-CD1 4.21Å; L604-L666 HydrophobicContact CD2-CD2 3.48Å; L604-L666 VanDerWaalsContact CD2-CD2 3.48Å; L604-L666 HydrophobicContact CG-CD2 3.79Å; I607-L666 HydrophobicContact CD1-CB 4.5Å; I607-L666 HydrophobicContact CD1-CD2 4.07Å; L629-L666 HydrophobicContact CD1-CB 4.07Å; L629-L666 HydrophobicContact CD2-CB 3.93Å; L629-L666 HydrophobicContact CD2-CD1 4.15Å; E662-L666 WeakPolarHBondContact O-CG 3.09Å; E662-L666 PolarHBondContact O-N 3.37Å; A663-L666 PolarHBondContact O-N 3.19Å; L666-L669 PolarHBondContact O-N 3.05Å; L666-L670 WeakPolarHBondContact O-CB 3.2Å; L666-L670 PolarHBondContact O-N 3Å
667K97.6Very high93.3Very high39 Ų3958.6 Ų58.617%0.1732%0.316CS..Hα-helixtrans-64.6-43.3177.2-179.5176.7163.9-178.30111.5L629 E630 A663 R664 L665 L670 L671L629-K667 HydrophobicContact CB-CB 4.05Å; L629-K667 HydrophobicContact CD1-CB 3.96Å; E630-K667 HydrophobicContact CG-CD 4.07Å; E630-K667 IonicContact OE1-NZ 2.66Å; E630-K667 PolarHBondContact OE1-NZ 2.95Å; A663-K667 WeakPolarHBondContact O-CB 3.42Å; A663-K667 PolarHBondContact O-N 3.41Å; R664-K667 PolarHBondContact O-N 2.87Å; L665-K667 VanDerWaalsContact C-N 3.27Å; L665-K667 PolarHBondContact O-N 3.48Å; K667-L670 PolarHBondContact O-N 3.38Å; K667-L671 HydrophobicContact CG-CD1 4.04Å; K667-L671 HydrophobicContact CG-CG 4.44Å; K667-L671 WeakPolarHBondContact O-CB 3.44Å; K667-L671 VanDerWaalsContact O-CG 3.3Å; K667-L671 WeakPolarHBondContact O-CG 3.17Å; K667-L671 PolarHBondContact O-N 3.16Å
668S97Very high93.7Very high56 Ų5660.9 Ų60.939%0.39233%0.329SS..Hα-helixtrans-58.8-49.4176-165.80000111.3R664 L665 L670 L671 E672R664-S668 WeakPolarHBondContact O-CB 3.41Å; R664-S668 PolarHBondContact O-N 3.22Å; L665-S668 WeakPolarHBondContact O-CB 3.29Å; L665-S668 PolarHBondContact O-N 3.27Å; S668-L670 VanDerWaalsContact C-N 3.32Å; S668-L670 PolarHBondContact O-N 2.88Å; S668-L671 PolarHBondContact O-N 3.16Å; S668-E672 WeakPolarHBondContact O-CG 3.34Å; S668-E672 PolarHBondContact O-N 2.77Å
669L96.4Very high93.8Very high74 Ų7462.9 Ų62.939%0.38734%0.338SS..Hα-helixtrans-59.9-42.5178.6-69173.1000112I607 L665 L666 E672 L673I607-L669 HydrophobicContact CD1-CB 4.18Å; I607-L669 HydrophobicContact CG2-CB 4.14Å; L665-L669 WeakPolarHBondContact O-CG 3.49Å; L665-L669 PolarHBondContact O-N 3.41Å; L666-L669 PolarHBondContact O-N 3.05Å; L669-E672 PolarHBondContact O-N 3.27Å; L669-L673 WeakPolarHBondContact O-CG 3.47Å; L669-L673 PolarHBondContact O-N 3Å
670L95.6Very high93.7Very high0 Ų066.6 Ų66.60%036%0.358CS..Hα-helixtrans-66.1-41.9178.6-171.765000111.8I607 M610 L622 C625 I626 L629 L666 K667 S668 L673 I674I607-L670 HydrophobicContact CD1-CB 4.44Å; I607-L670 HydrophobicContact CG1-CD1 4.22Å; M610-L670 HydrophobicContact CE-CD1 4.32Å; M610-L670 HydrophobicContact SD-CD1 4.11Å; L622-L670 HydrophobicContact CD2-CD1 3.93Å; C625-L670 HydrophobicContact CB-CD2 3.53Å; I626-L670 HydrophobicContact CG1-CD2 4.11Å; L629-L670 HydrophobicContact CD1-CD2 4.44Å; L666-L670 WeakPolarHBondContact O-CB 3.2Å; L666-L670 PolarHBondContact O-N 3Å; K667-L670 PolarHBondContact O-N 3.38Å; S668-L670 VanDerWaalsContact C-N 3.32Å; S668-L670 PolarHBondContact O-N 2.88Å; L670-L673 PolarHBondContact O-N 3.17Å; L670-I674 HydrophobicContact CG-CD1 3.99Å; L670-I674 VanDerWaalsContact O-CG1 3.27Å; L670-I674 WeakPolarHBondContact O-CG1 3.19Å; L670-I674 PolarHBondContact O-N 3.12Å; L670-I674 VanDerWaalsContact O-N 3.08Å
671L95.1Very high93.6Very high54 Ų5469.3 Ų69.328%0.28337%0.372SS..Hα-helixtrans-65-37.8177.6-73172.1000112.4I626 K667 S668 L673 I674 Q675I626-L671 HydrophobicContact CD1-CD2 3.76Å; I626-L671 HydrophobicContact CG1-CD2 4.33Å; K667-L671 HydrophobicContact CG-CD1 4.04Å; K667-L671 HydrophobicContact CG-CG 4.44Å; K667-L671 WeakPolarHBondContact O-CB 3.44Å; K667-L671 VanDerWaalsContact O-CG 3.3Å; K667-L671 WeakPolarHBondContact O-CG 3.17Å; K667-L671 PolarHBondContact O-N 3.16Å; S668-L671 PolarHBondContact O-N 3.16Å; L671-L673 VanDerWaalsContact C-N 3.32Å; L671-L673 PolarHBondContact O-N 2.92Å; L671-I674 PolarHBondContact O-N 3.31Å; L671-Q675 WeakPolarHBondContact O-CB 3.45Å; L671-Q675 VanDerWaalsContact O-CG 3.28Å; L671-Q675 WeakPolarHBondContact O-CG 3.39Å; L671-Q675 PolarHBondContact O-N 3.09Å
672E94.7Very high93.5Very high118 Ų11868.3 Ų68.355%0.55138%0.375SS*.Hα-helixtrans-60-42.3174.1-75.1172.2-155.400111.6S668 L669 I674 Q675 G676S668-E672 WeakPolarHBondContact O-CG 3.34Å; S668-E672 PolarHBondContact O-N 2.77Å; L669-E672 PolarHBondContact O-N 3.27Å; E672-I674 VanDerWaalsContact C-N 3.35Å; E672-Q675 PolarHBondContact O-N 3.28Å; E672-G676 PolarHBondContact O-N 3.38Å
673L92.1Very high93.3Very high52 Ų5269.9 Ų69.927%0.27239%0.386SS..Hα-helixtrans-71.8-24.5177.4-69.2177.9000114.3I607 M610 A611 L669 L670 L671I607-L673 HydrophobicContact CB-CD1 4.36Å; I607-L673 HydrophobicContact CG2-CD1 3.72Å; I607-L673 WeakPolarHBondContact O-CD1 3.22Å; M610-L673 HydrophobicContact CB-CD1 3.94Å; M610-L673 HydrophobicContact CE-CB 4.41Å; A611-L673 HydrophobicContact CB-CD1 4.22Å; A611-L673 HydrophobicContact CB-CD2 3.87Å; L669-L673 WeakPolarHBondContact O-CG 3.47Å; L669-L673 PolarHBondContact O-N 3Å; L670-L673 PolarHBondContact O-N 3.17Å; L671-L673 VanDerWaalsContact C-N 3.32Å; L671-L673 PolarHBondContact O-N 2.92Å
674I89.8Confident93Very high63 Ų6375.3 Ų75.332%0.32342%0.416SS..Hα-helixtrans-80.8-30.6176.4-67.8166.7000110.9L622 I626 L670 L671 E672L622-I674 HydrophobicContact CB-CD1 4.13Å; L622-I674 HydrophobicContact CD1-CD1 4.46Å; L622-I674 HydrophobicContact CD1-CG1 4.23Å; L622-I674 HydrophobicContact CD2-CD1 4.35Å; I626-I674 HydrophobicContact CD1-CD1 3.87Å; L670-I674 HydrophobicContact CG-CD1 3.99Å; L670-I674 VanDerWaalsContact O-CG1 3.27Å; L670-I674 WeakPolarHBondContact O-CG1 3.19Å; L670-I674 PolarHBondContact O-N 3.12Å; L670-I674 VanDerWaalsContact O-N 3.08Å; L671-I674 PolarHBondContact O-N 3.31Å; E672-I674 VanDerWaalsContact C-N 3.35Å
675Q86Confident92.7Very high162 Ų16269.3 Ų69.376%0.75740%0.404SS*.Hα-helixtrans-89.7-27-177-69.6176.313.500113.9L671 E672L671-Q675 WeakPolarHBondContact O-CB 3.45Å; L671-Q675 VanDerWaalsContact O-CG 3.28Å; L671-Q675 WeakPolarHBondContact O-CG 3.39Å; L671-Q675 PolarHBondContact O-N 3.09Å; E672-Q675 PolarHBondContact O-N 3.28Å
676G74.1Confident92.4Very high118 Ų11867.9 Ų67.9100%1.21640%0.401SS*.  trans-84.30175.800000112.4E672E672-G676 PolarHBondContact O-N 3.38Å

Retrieved 676 of 676 residues in 2751.2 ms (Link to these results)

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