A0A096NHZ4_PAPAN Loading...

Potassium two pore domain channel subfamily K member 5

AlphaFold DB , UniProt , Accession A0A096NHZ4, Species PAPAN (Papio anubis, Olive baboon), Gene KCNK5, Length 499 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
1M50.7Low80.5Confident214 Ų214111.8 Ų111.8100%1.05463%0.628SS**  0-250-93.3169.363.100111.7D3 R4M1-D3 PolarHBondContact O-N 3.42Å; M1-R4 PolarHBondContact O-N 3.03Å
2V56.2Low81.7Confident127 Ų127109.8 Ų109.877%0.7761%0.613SS**G310 helixtrans-47.9-49.9178.3-172.40000113.4R4 G5V2-R4 PolarHBondContact O-N 3.44Å; V2-G5 PolarHBondContact O-N 3.26Å
3D62.8Low82.9Confident146 Ų146109.7 Ų109.778%0.78161%0.609SS**G310 helixtrans-63.2-3.3-173-20.2-48.4000116.4M1M1-D3 PolarHBondContact O-N 3.42Å
4R73.4Confident83.9Confident166 Ų166111.9 Ų111.963%0.62661%0.609SS**G310 helixtrans-100-13.7176-68.5-169.3-177.4-175.20.5114.2M1 V2 L8M1-R4 PolarHBondContact O-N 3.03Å; V2-R4 PolarHBondContact O-N 3.44Å; R4-L8 PolarHBondContact O-N 3.33Å
5G82.7Confident84.8Confident36 Ų36116.5 Ų116.537%0.37162%0.616SS.*Hα-helixtrans-58-59.1179.500000112.3V2 L7 L8 T9V2-G5 PolarHBondContact O-N 3.26Å; G5-L7 VanDerWaalsContact C-N 3.28Å; G5-L7 PolarHBondContact O-N 3.01Å; G5-L8 PolarHBondContact O-N 2.9Å; G5-T9 PolarHBondContact O-N 2.73Å; G5-T9 PolarHBondContact O-OG1 3.21Å
6P91.3Very high85.6Confident98 Ų98116.2 Ų116.264%0.63661%0.614SS**Hα-helixtrans-57.2-37.6-176.6-27.435.8000114.2T9 S10P6-T9 PolarHBondContact O-N 3.45Å; P6-S10 PolarHBondContact O-N 2.94Å; P6-S10 PolarHBondContact O-OG 3.08Å
7L92.3Very high86.3Confident129 Ų129112.7 Ų112.768%0.67561%0.606SS**Hα-helixtrans-73.3-28.9179.1-174.4145000113G5 S10 A11G5-L7 VanDerWaalsContact C-N 3.28Å; G5-L7 PolarHBondContact O-N 3.01Å; L7-S10 PolarHBondContact O-OG 2.84Å; L7-A11 WeakPolarHBondContact O-CB 3.49Å; L7-A11 PolarHBondContact O-N 3.38Å
8L92.1Very high87Confident112 Ų112110.8 Ų110.859%0.58659%0.594SS**Hα-helixtrans-72.7-42.8171.5-175.266.1000110.5R4 G5 A11 I12R4-L8 PolarHBondContact O-N 3.33Å; G5-L8 PolarHBondContact O-N 2.9Å; L8-A11 PolarHBondContact O-N 3.37Å; L8-I12 HydrophobicContact CD1-CD1 4.46Å; L8-I12 HydrophobicContact CG-CD1 4.05Å; L8-I12 WeakPolarHBondContact O-CG1 3.36Å; L8-I12 PolarHBondContact O-N 3.32Å
9T93.8Very high87.6Confident81 Ų81106.1 Ų106.150%0.49757%0.574SS.*Hα-helixtrans-61.5-46.4177.5-52.50000111.6G5 P6 A11 I12 I13G5-T9 PolarHBondContact O-N 2.73Å; G5-T9 PolarHBondContact O-OG1 3.21Å; P6-T9 PolarHBondContact O-N 3.45Å; T9-A11 VanDerWaalsContact C-N 3.33Å; T9-A11 PolarHBondContact O-N 2.84Å; T9-I12 PolarHBondContact O-N 3.34Å; T9-I13 HydrophobicContact CG2-CD1 4.01Å; T9-I13 WeakPolarHBondContact O-CG1 3.46Å; T9-I13 PolarHBondContact O-N 3.24Å
10S94.9Very high88.1Confident69 Ų69103.6 Ų103.648%0.48357%0.569SS.*Hα-helixtrans-64-37.1177.663.80000112.7P6 L7 I13 F14P6-S10 PolarHBondContact O-N 2.94Å; P6-S10 PolarHBondContact O-OG 3.08Å; L7-S10 PolarHBondContact O-OG 2.84Å; S10-I13 PolarHBondContact O-N 2.95Å; S10-F14 WeakPolarHBondContact O-CB 3.34Å; S10-F14 PolarHBondContact O-N 3.49Å
11A95.4Very high88.6Confident52 Ų52101.2 Ų101.243%0.4356%0.563SS.*Hα-helixtrans-65.6-36.3173.800000112.8L7 L8 T9 Y15L7-A11 WeakPolarHBondContact O-CB 3.49Å; L7-A11 PolarHBondContact O-N 3.38Å; L8-A11 PolarHBondContact O-N 3.37Å; T9-A11 VanDerWaalsContact C-N 3.33Å; T9-A11 PolarHBondContact O-N 2.84Å; A11-Y15 WeakPolarHBondContact O-CB 3.37Å; A11-Y15 PolarHBondContact O-N 3.05Å
12I95.2Very high90.8Very high88 Ų8895.1 Ų95.145%0.45153%0.534SS..Hα-helixtrans-69.4-45.6175-69.5167000110.7L8 T9 F14 Y15 L16L8-I12 HydrophobicContact CD1-CD1 4.46Å; L8-I12 HydrophobicContact CG-CD1 4.05Å; L8-I12 WeakPolarHBondContact O-CG1 3.36Å; L8-I12 PolarHBondContact O-N 3.32Å; T9-I12 PolarHBondContact O-N 3.34Å; I12-F14 VanDerWaalsContact C-N 3.29Å; I12-F14 PolarHBondContact O-N 2.93Å; I12-Y15 WeakPolarHBondContact O-CB 3.42Å; I12-Y15 PolarHBondContact O-N 3.04Å; I12-Y15 VanDerWaalsContact O-N 3.15Å; I12-L16 HydrophobicContact CG2-CD1 4.04Å; I12-L16 HydrophobicContact CG2-CG 4.36Å; I12-L16 WeakPolarHBondContact O-CG 3.34Å; I12-L16 PolarHBondContact O-N 3.4Å
13I97Very high92.8Very high108 Ų10895.7 Ų95.755%0.55453%0.526SS*.Hα-helixtrans-57.6-44.5176.1-68.7167.9000110.3T9 S10 L16 A17T9-I13 HydrophobicContact CG2-CD1 4.01Å; T9-I13 WeakPolarHBondContact O-CG1 3.46Å; T9-I13 PolarHBondContact O-N 3.24Å; S10-I13 PolarHBondContact O-N 2.95Å; I13-L16 PolarHBondContact O-N 3.43Å; I13-A17 WeakPolarHBondContact O-CB 3.4Å; I13-A17 PolarHBondContact O-N 3.11Å
14F97.3Very high94.5Very high140 Ų14094.5 Ų94.561%0.61452%0.516SS*.Hα-helixtrans-64.8-39.4176.6-174.6-112.9000113S10 I12 A17 I18S10-F14 WeakPolarHBondContact O-CB 3.34Å; S10-F14 PolarHBondContact O-N 3.49Å; I12-F14 VanDerWaalsContact C-N 3.29Å; I12-F14 PolarHBondContact O-N 2.93Å; F14-A17 PolarHBondContact O-N 2.84Å; F14-I18 HydrophobicContact CD1-CD1 3.86Å; F14-I18 HydrophobicContact CE1-CD1 3.37Å; F14-I18 HydrophobicContact CE1-CG1 4.45Å; F14-I18 HydrophobicContact CE2-CD1 4.14Å; F14-I18 HydrophobicContact CE2-CG1 4.47Å; F14-I18 HydrophobicContact CG-CD1 4.44Å; F14-I18 HydrophobicContact CZ-CD1 3.54Å; F14-I18 HydrophobicContact CZ-CG1 4.32Å; F14-I18 WeakPolarHBondContact O-CG1 3.42Å; F14-I18 PolarHBondContact O-N 3.4Å
15Y97.1Very high95.7Very high182 Ų18291.6 Ų91.671%0.71452%0.516SS*.Hα-helixtrans-63.2-41.9174.5-176-91.5000112A11 I12 G19A11-Y15 WeakPolarHBondContact O-CB 3.37Å; A11-Y15 PolarHBondContact O-N 3.05Å; I12-Y15 WeakPolarHBondContact O-CB 3.42Å; I12-Y15 PolarHBondContact O-N 3.04Å; I12-Y15 VanDerWaalsContact O-N 3.15Å; Y15-G19 PolarHBondContact O-N 2.95Å
16L97.9Very high96.4Very high111 Ų11195 Ų9558%0.58153%0.525SS*.Hα-helixtrans-66.1-40.9175.3-68.1173000111.9I12 I13 G19 A20I12-L16 HydrophobicContact CG2-CD1 4.04Å; I12-L16 HydrophobicContact CG2-CG 4.36Å; I12-L16 WeakPolarHBondContact O-CG 3.34Å; I12-L16 PolarHBondContact O-N 3.4Å; I13-L16 PolarHBondContact O-N 3.43Å; L16-G19 PolarHBondContact O-N 2.87Å; L16-A20 WeakPolarHBondContact O-CB 3.39Å; L16-A20 PolarHBondContact O-N 2.7Å
17A98.1Very high96.7Very high57 Ų5795.5 Ų95.547%0.47152%0.519SS..Hα-helixtrans-64.1-43.1177.600000112.5I13 F14 A20 A21I13-A17 WeakPolarHBondContact O-CB 3.4Å; I13-A17 PolarHBondContact O-N 3.11Å; F14-A17 PolarHBondContact O-N 2.84Å; A17-A20 PolarHBondContact O-N 3.19Å; A17-A21 PolarHBondContact O-N 2.74Å; A17-A21 VanDerWaalsContact O-N 3.08Å
18I98.2Very high96.9Very high78 Ų7892.9 Ų92.940%0.450%0.504SS..Hα-helixtrans-63.2-44.1172.2-70.5170.8000110.7F14 A20 A21 I22F14-I18 HydrophobicContact CD1-CD1 3.86Å; F14-I18 HydrophobicContact CE1-CD1 3.37Å; F14-I18 HydrophobicContact CE1-CG1 4.45Å; F14-I18 HydrophobicContact CE2-CD1 4.14Å; F14-I18 HydrophobicContact CE2-CG1 4.47Å; F14-I18 HydrophobicContact CG-CD1 4.44Å; F14-I18 HydrophobicContact CZ-CD1 3.54Å; F14-I18 HydrophobicContact CZ-CG1 4.32Å; F14-I18 WeakPolarHBondContact O-CG1 3.42Å; F14-I18 PolarHBondContact O-N 3.4Å; I18-A20 PolarHBondContact O-N 2.94Å; I18-A21 PolarHBondContact O-N 3.35Å; I18-I22 HydrophobicContact CG2-CD1 3.6Å; I18-I22 HydrophobicContact CG2-CG1 4.31Å; I18-I22 WeakPolarHBondContact O-CB 3.49Å; I18-I22 VanDerWaalsContact O-CG1 3.31Å; I18-I22 WeakPolarHBondContact O-CG1 3.31Å; I18-I22 PolarHBondContact O-N 2.64Å
19G97.8Very high97.2Very high21 Ų2191 Ų9122%0.21650%0.498CS..Hα-helixtrans-57.3-48.1177.200000112.2Y15 L16 I22 F23Y15-G19 PolarHBondContact O-N 2.95Å; L16-G19 PolarHBondContact O-N 2.87Å; G19-I22 PolarHBondContact O-N 3.34Å; G19-F23 WeakPolarHBondContact O-CD2 3.4Å; G19-F23 PolarHBondContact O-N 2.63Å
20A98.1Very high97.4Very high57 Ų5792.8 Ų92.847%0.47150%0.5SS..Hα-helixtrans-59-50.6177.200000112L16 A17 I18 I22 F23 E24L16-A20 WeakPolarHBondContact O-CB 3.39Å; L16-A20 PolarHBondContact O-N 2.7Å; A17-A20 PolarHBondContact O-N 3.19Å; I18-A20 PolarHBondContact O-N 2.94Å; A20-I22 VanDerWaalsContact C-N 3.28Å; A20-I22 PolarHBondContact O-N 2.94Å; A20-F23 PolarHBondContact O-N 3.22Å; A20-E24 WeakPolarHBondContact O-CB 3.45Å; A20-E24 PolarHBondContact O-N 3.36Å
21A98.2Very high97.5Very high53 Ų5396.4 Ų96.444%0.43850%0.504SS..Hα-helixtrans-62-3417900000113.2A17 I18 V25A17-A21 PolarHBondContact O-N 2.74Å; A17-A21 VanDerWaalsContact O-N 3.08Å; I18-A21 PolarHBondContact O-N 3.35Å; A21-V25 WeakPolarHBondContact O-CG1 3.11Å; A21-V25 PolarHBondContact O-N 3.01Å
22I98.3Very high97.6Very high87 Ų8798.9 Ų98.945%0.44651%0.505SS..Hα-helixtrans-72.6-43.1175.4-68.8173.3000111.2I18 G19 A20 V25 L26I18-I22 HydrophobicContact CG2-CD1 3.6Å; I18-I22 HydrophobicContact CG2-CG1 4.31Å; I18-I22 WeakPolarHBondContact O-CB 3.49Å; I18-I22 VanDerWaalsContact O-CG1 3.31Å; I18-I22 WeakPolarHBondContact O-CG1 3.31Å; I18-I22 PolarHBondContact O-N 2.64Å; G19-I22 PolarHBondContact O-N 3.34Å; A20-I22 VanDerWaalsContact C-N 3.28Å; A20-I22 PolarHBondContact O-N 2.94Å; I22-V25 WeakPolarHBondContact O-CG1 3.39Å; I22-L26 HydrophobicContact CG2-CD1 3.72Å; I22-L26 HydrophobicContact CG2-CG 4.44Å; I22-L26 WeakPolarHBondContact O-CB 3.43Å; I22-L26 WeakPolarHBondContact O-CG 3.3Å; I22-L26 PolarHBondContact O-N 3.03Å
23F98.1Very high97.7Very high139 Ų139100.2 Ų100.261%0.6151%0.509SS*.Hα-helixtrans-66.2-38.6176-75.6-58.1000112.2G19 A20 L26 E27G19-F23 WeakPolarHBondContact O-CD2 3.4Å; G19-F23 PolarHBondContact O-N 2.63Å; A20-F23 PolarHBondContact O-N 3.22Å; F23-L26 PolarHBondContact O-N 3.06Å; F23-E27 WeakPolarHBondContact O-CB 3.44Å; F23-E27 PolarHBondContact O-N 3Å
24E98Very high97.7Very high121 Ų12197.4 Ų97.457%0.56550%0.502SS*.Hα-helixtrans-59-52.5175.7-175.2178.6-17800111.2A20 L26 E28A20-E24 WeakPolarHBondContact O-CB 3.45Å; A20-E24 PolarHBondContact O-N 3.36Å; E24-L26 VanDerWaalsContact C-N 3.27Å; E24-L26 PolarHBondContact O-N 3.28Å; E24-E28 HydrophobicContact CG-CB 4.46Å; E24-E28 WeakPolarHBondContact O-CB 3.41Å; E24-E28 PolarHBondContact O-N 3.17Å
25V98.3Very high97.7Very high104 Ų10495 Ų9563%0.6349%0.491SS*.Hα-helixtrans-68.2-24.5-178.4750000113.8A21 I22A21-V25 WeakPolarHBondContact O-CG1 3.11Å; A21-V25 PolarHBondContact O-N 3.01Å; I22-V25 WeakPolarHBondContact O-CG1 3.39Å
26L97.1Very high97.8Very high107 Ų10793.2 Ų93.256%0.5649%0.487SS*.Hα-helixtrans-86.4-46.1178.9-68.7175.6000112.9I22 F23 E24I22-L26 HydrophobicContact CG2-CD1 3.72Å; I22-L26 HydrophobicContact CG2-CG 4.44Å; I22-L26 WeakPolarHBondContact O-CB 3.43Å; I22-L26 WeakPolarHBondContact O-CG 3.3Å; I22-L26 PolarHBondContact O-N 3.03Å; F23-L26 PolarHBondContact O-N 3.06Å; E24-L26 VanDerWaalsContact C-N 3.27Å; E24-L26 PolarHBondContact O-N 3.28Å
27E97.4Very high97.8Very high109 Ų10991.3 Ų91.351%0.50948%0.477SS..Hα-helixtrans-97.1-31.9-169.8-59.7-59.2150.200113.5F23 H30 W31F23-E27 WeakPolarHBondContact O-CB 3.44Å; F23-E27 PolarHBondContact O-N 3Å; E27-H30 PolarHBondContact O-N 3.16Å; E27-W31 WeakPolarHBondContact O-CB 3.01Å; E27-W31 PolarHBondContact O-N 3.37Å
28E97.6Very high97.7Very high75 Ų7593.9 Ų93.935%0.3548%0.476SS..Hα-helixtrans-63.6-38.9-175.4-157.7-144.1-17000113.6E24 W31 K32E24-E28 HydrophobicContact CG-CB 4.46Å; E24-E28 WeakPolarHBondContact O-CB 3.41Å; E24-E28 PolarHBondContact O-N 3.17Å; E28-W31 PolarHBondContact O-N 3.09Å; E28-K32 HydrophobicContact CG-CD 4.39Å; E28-K32 WeakPolarHBondContact O-CB 3.48Å; E28-K32 VanDerWaalsContact O-CG 3.31Å; E28-K32 WeakPolarHBondContact O-CG 3.5Å; E28-K32 PolarHBondContact O-N 3.1Å; E28-K32 WeakPolarHBondContact OE1-CE 3.48Å; E28-K32 IonicContact OE1-NZ 2.7Å; E28-K32 PolarHBondContact OE1-NZ 3.24Å; E28-K32 WeakPolarHBondContact OE2-CE 3.46Å; E28-K32 IonicContact OE2-NZ 2.63Å; E28-K32 PolarHBondContact OE2-NZ 3.35Å
29P98.2Very high97.5Very high71 Ų7195.7 Ų95.746%0.46148%0.478SS..Hα-helixtrans-61.8-44.3174.4-22.734.5000112.4K32 E33P29-K32 PolarHBondContact O-N 3.14Å; P29-E33 PolarHBondContact O-N 3.37Å
30H96.9Very high97.5Very high119 Ų11998.4 Ų98.455%0.55149%0.491SS*.Hα-helixtrans-67.4-40.1179179.5-117.9000111.5E27 E33 A34E27-H30 PolarHBondContact O-N 3.16Å; H30-E33 PolarHBondContact O-N 3.1Å; H30-A34 WeakPolarHBondContact O-CB 3.48Å; H30-A34 PolarHBondContact O-N 3.37Å
31W97.7Very high97.4Very high146 Ų146101.8 Ų101.855%0.55350%0.497SS*.Hα-helixtrans-63.4-41.9173.7179.586000112.5E27 E28 E33 A34 K35E27-W31 WeakPolarHBondContact O-CB 3.01Å; E27-W31 PolarHBondContact O-N 3.37Å; E28-W31 PolarHBondContact O-N 3.09Å; W31-E33 VanDerWaalsContact C-N 3.33Å; W31-E33 PolarHBondContact O-N 3.24Å; W31-A34 PolarHBondContact O-N 2.92Å; W31-K35 HydrophobicContact CH2-CD 3.64Å; W31-K35 HydrophobicContact CZ2-CD 3.9Å; W31-K35 HydrophobicContact CZ3-CD 3.99Å; W31-K35 WeakPolarHBondContact O-CB 3.43Å; W31-K35 PolarHBondContact O-N 3.47Å
32K97.8Very high97.2Very high104 Ų104101 Ų10145%0.45248%0.483SS..Hα-helixtrans-60.3-42.2174.5-78.5169.6175.3165.20111.5E28 P29 K36E28-K32 HydrophobicContact CG-CD 4.39Å; E28-K32 WeakPolarHBondContact O-CB 3.48Å; E28-K32 VanDerWaalsContact O-CG 3.31Å; E28-K32 WeakPolarHBondContact O-CG 3.5Å; E28-K32 PolarHBondContact O-N 3.1Å; E28-K32 WeakPolarHBondContact OE1-CE 3.48Å; E28-K32 IonicContact OE1-NZ 2.7Å; E28-K32 PolarHBondContact OE1-NZ 3.24Å; E28-K32 WeakPolarHBondContact OE2-CE 3.46Å; E28-K32 IonicContact OE2-NZ 2.63Å; E28-K32 PolarHBondContact OE2-NZ 3.35Å; P29-K32 PolarHBondContact O-N 3.14Å; K32-K36 WeakPolarHBondContact O-CB 3.45Å; K32-K36 PolarHBondContact O-N 3.18Å
33E97.8Very high97Very high116 Ų116101.7 Ų101.754%0.54249%0.487SS..Hα-helixtrans-66.4-49.6175.5-176.3172.5-17600112.2P29 H30 W31 K35 K36 N37P29-E33 PolarHBondContact O-N 3.37Å; H30-E33 PolarHBondContact O-N 3.1Å; W31-E33 VanDerWaalsContact C-N 3.33Å; W31-E33 PolarHBondContact O-N 3.24Å; E33-K35 VanDerWaalsContact C-N 3.31Å; E33-K35 PolarHBondContact O-N 3.28Å; E33-K36 WeakPolarHBondContact O-CB 3.36Å; E33-K36 PolarHBondContact O-N 3.03Å; E33-K36 VanDerWaalsContact O-N 3.1Å; E33-N37 WeakPolarHBondContact O-CB 3.21Å; E33-N37 VanDerWaalsContact O-CG 3.31Å; E33-N37 PolarHBondContact O-N 3.31Å
34A96.9Very high96.9Very high48 Ų48100.5 Ų100.540%0.39748%0.484SS..Hα-helixtrans-57.6-42.8177.300000112H30 W31 N37 Y38H30-A34 WeakPolarHBondContact O-CB 3.48Å; H30-A34 PolarHBondContact O-N 3.37Å; W31-A34 PolarHBondContact O-N 2.92Å; A34-N37 PolarHBondContact O-N 2.88Å; A34-Y38 WeakPolarHBondContact O-CB 3.42Å; A34-Y38 PolarHBondContact O-N 3.44Å
35K96.9Very high96.8Very high89 Ų8998.3 Ų98.339%0.38748%0.475SS..Hα-helixtrans-60.9-45.2174179172178.1176.40111.9W31 E33 Y38 Y39W31-K35 HydrophobicContact CH2-CD 3.64Å; W31-K35 HydrophobicContact CZ2-CD 3.9Å; W31-K35 HydrophobicContact CZ3-CD 3.99Å; W31-K35 WeakPolarHBondContact O-CB 3.43Å; W31-K35 PolarHBondContact O-N 3.47Å; E33-K35 VanDerWaalsContact C-N 3.31Å; E33-K35 PolarHBondContact O-N 3.28Å; K35-Y38 PolarHBondContact O-N 3.02Å; K35-Y39 HydrophobicContact CD-CE2 4.23Å; K35-Y39 HydrophobicContact CG-CD2 4.01Å; K35-Y39 HydrophobicContact CG-CE2 3.57Å; K35-Y39 WeakPolarHBondContact O-CD2 3.37Å; K35-Y39 PolarHBondContact O-N 3.42Å; K35-Y39 VanDerWaalsContact O-N 3.11Å
36K97.7Very high96.6Very high145 Ų14594.9 Ų94.963%0.6345%0.453SS*.Hα-helixtrans-62.3-43.2175.5-178.5-175.7174.9-173.70111.7K32 E33 Y39 T40K32-K36 WeakPolarHBondContact O-CB 3.45Å; K32-K36 PolarHBondContact O-N 3.18Å; E33-K36 WeakPolarHBondContact O-CB 3.36Å; E33-K36 PolarHBondContact O-N 3.03Å; E33-K36 VanDerWaalsContact O-N 3.1Å; K36-Y39 PolarHBondContact O-N 2.85Å; K36-T40 WeakPolarHBondContact O-CB 3.42Å; K36-T40 PolarHBondContact O-N 3.47Å; K36-T40 PolarHBondContact O-OG1 3.5Å
37N97.8Very high96.5Very high72 Ų7297.9 Ų97.939%0.38546%0.462SS..Hα-helixtrans-64.1-42.8178.5-70.3-16.6000111E33 A34 T40 Q41E33-N37 WeakPolarHBondContact O-CB 3.21Å; E33-N37 VanDerWaalsContact O-CG 3.31Å; E33-N37 PolarHBondContact O-N 3.31Å; A34-N37 PolarHBondContact O-N 2.88Å; N37-T40 PolarHBondContact O-N 2.86Å; N37-Q41 WeakPolarHBondContact O-CG 3.03Å; N37-Q41 PolarHBondContact O-N 3.05Å
38Y95.9Very high96.5Very high111 Ų11197.7 Ų97.744%0.43546%0.461SS..Hα-helixtrans-56.8-50.8173.1171.4-101.4000112.6A34 K35 T40 Q41 K42A34-Y38 WeakPolarHBondContact O-CB 3.42Å; A34-Y38 PolarHBondContact O-N 3.44Å; K35-Y38 PolarHBondContact O-N 3.02Å; Y38-T40 VanDerWaalsContact C-N 3.31Å; Y38-T40 PolarHBondContact O-N 3.43Å; Y38-Q41 PolarHBondContact O-N 2.92Å; Y38-K42 WeakPolarHBondContact O-CB 3.34Å; Y38-K42 PolarHBondContact O-N 2.91Å
39Y95.9Very high96.4Very high116 Ų11698.6 Ų98.646%0.45546%0.464SS..Hα-helixtrans-63.3-37176.6-72.5-63.4000112.9K35 K36 K42 L43K35-Y39 HydrophobicContact CD-CE2 4.23Å; K35-Y39 HydrophobicContact CG-CD2 4.01Å; K35-Y39 HydrophobicContact CG-CE2 3.57Å; K35-Y39 WeakPolarHBondContact O-CD2 3.37Å; K35-Y39 PolarHBondContact O-N 3.42Å; K35-Y39 VanDerWaalsContact O-N 3.11Å; K36-Y39 PolarHBondContact O-N 2.85Å; Y39-K42 PolarHBondContact O-N 2.89Å; Y39-L43 WeakPolarHBondContact O-CB 3.48Å; Y39-L43 WeakPolarHBondContact O-CG 3.49Å; Y39-L43 PolarHBondContact O-N 3.22Å
40T96.8Very high96Very high78 Ų78100.6 Ų100.648%0.47948%0.477SS..Hα-helixtrans-64.7-42.6178.1-54.30000111K36 N37 Y38 L43 H44K36-T40 WeakPolarHBondContact O-CB 3.42Å; K36-T40 PolarHBondContact O-N 3.47Å; K36-T40 PolarHBondContact O-OG1 3.5Å; N37-T40 PolarHBondContact O-N 2.86Å; Y38-T40 VanDerWaalsContact C-N 3.31Å; Y38-T40 PolarHBondContact O-N 3.43Å; T40-L43 PolarHBondContact O-N 2.95Å; T40-H44 PolarHBondContact O-N 3.25Å
41Q95.8Very high95.9Very high128 Ų128100.9 Ų100.960%0.59849%0.491SS*.Hα-helixtrans-67-41.4174-69.9174.413.700112N37 Y38 L43 H44 L45N37-Q41 WeakPolarHBondContact O-CG 3.03Å; N37-Q41 PolarHBondContact O-N 3.05Å; Y38-Q41 PolarHBondContact O-N 2.92Å; Q41-L43 VanDerWaalsContact C-N 3.31Å; Q41-L43 PolarHBondContact O-N 2.87Å; Q41-H44 WeakPolarHBondContact O-CB 3.21Å; Q41-H44 PolarHBondContact O-N 3Å; Q41-H44 VanDerWaalsContact O-N 3.08Å; Q41-L45 WeakPolarHBondContact O-CG 3.45Å; Q41-L45 PolarHBondContact O-N 3.32Å
42K94.4Very high95.6Very high36 Ų3695.9 Ų95.916%0.15748%0.475CS..Hα-helixtrans-56.7-45174.3-165.5-175.9-178.1-177.60111.4Y38 Y39 L45 L46 L57 D58Y38-K42 WeakPolarHBondContact O-CB 3.34Å; Y38-K42 PolarHBondContact O-N 2.91Å; Y39-K42 PolarHBondContact O-N 2.89Å; K42-L45 PolarHBondContact O-N 3.11Å; K42-L46 WeakPolarHBondContact O-CG 3.34Å; K42-L46 PolarHBondContact O-N 3.36Å; K42-L57 HydrophobicContact CD-CD2 4.45Å; K42-L57 HydrophobicContact CG-CD2 3.61Å; K42-D58 WeakPolarHBondContact CE-OD1 3.31Å; K42-D58 IonicContact NZ-OD1 2.64Å; K42-D58 PolarHBondContact NZ-OD1 3.3Å
43L94.2Very high95.3Very high101 Ų10193 Ų9353%0.52948%0.475SS..Hα-helixtrans-69.2-31.2175.4-71.6168.7000113.1Y39 T40 Q41 K47Y39-L43 WeakPolarHBondContact O-CB 3.48Å; Y39-L43 WeakPolarHBondContact O-CG 3.49Å; Y39-L43 PolarHBondContact O-N 3.22Å; T40-L43 PolarHBondContact O-N 2.95Å; Q41-L43 VanDerWaalsContact C-N 3.31Å; Q41-L43 PolarHBondContact O-N 2.87Å; L43-K47 WeakPolarHBondContact O-CG 3.33Å; L43-K47 PolarHBondContact O-N 3.26Å
44H96.1Very high95.1Very high115 Ų11591.7 Ų91.753%0.53247%0.468SS..Hα-helixtrans-64.8-48.7173.2-168.3-83.5000111T40 Q41 L46 K47 E48T40-H44 PolarHBondContact O-N 3.25Å; Q41-H44 WeakPolarHBondContact O-CB 3.21Å; Q41-H44 PolarHBondContact O-N 3Å; Q41-H44 VanDerWaalsContact O-N 3.08Å; H44-L46 VanDerWaalsContact C-N 3.31Å; H44-L46 PolarHBondContact O-N 3.19Å; H44-K47 WeakPolarHBondContact O-CB 3.31Å; H44-K47 PolarHBondContact O-N 3.38Å; H44-E48 IonicContact CE1-OE2 3.21Å; H44-E48 PolarHBondContact CE1-OE2 3.04Å; H44-E48 IonicContact ND1-OE2 3.01Å; H44-E48 PolarHBondContact ND1-OE2 3.02Å; H44-E48 WeakPolarHBondContact O-CB 3.48Å; H44-E48 PolarHBondContact O-N 3.39Å
45L95.7Very high94.9Very high74 Ų7497.4 Ų97.439%0.38749%0.487SS..Hα-helixtrans-58.1-41.5178.8-69169.3000112.3Q41 K42 K47 E48 F49Q41-L45 WeakPolarHBondContact O-CG 3.45Å; Q41-L45 PolarHBondContact O-N 3.32Å; K42-L45 PolarHBondContact O-N 3.11Å; L45-K47 VanDerWaalsContact C-N 3.3Å; L45-K47 PolarHBondContact O-N 3.09Å; L45-E48 PolarHBondContact O-N 3.34Å; L45-F49 HydrophobicContact CD2-CD2 4.45Å; L45-F49 HydrophobicContact CD2-CE2 4.12Å; L45-F49 WeakPolarHBondContact O-CD2 3.41Å; L45-F49 PolarHBondContact O-N 3.29Å
46L94.8Very high94.8Very high32 Ų3294.7 Ų94.717%0.16849%0.485CS..Hα-helixtrans-66.6-28.5176.2-68.1165.4000113.4K42 H44 L52 L57K42-L46 WeakPolarHBondContact O-CG 3.34Å; K42-L46 PolarHBondContact O-N 3.36Å; H44-L46 VanDerWaalsContact C-N 3.31Å; H44-L46 PolarHBondContact O-N 3.19Å; L46-L52 VanDerWaalsContact CD2-O 3.3Å; L46-L52 WeakPolarHBondContact CD2-O 3.34Å; L46-L57 HydrophobicContact CD1-CD2 4.07Å; L46-L57 HydrophobicContact CD2-CB 4.01Å; L46-L57 HydrophobicContact CD2-CD2 3.68Å; L46-L57 HydrophobicContact CG-CD2 3.65Å
47K94.6Very high94.7Very high170 Ų17088.4 Ų88.474%0.73946%0.458SS*.Hα-helixtrans-80.7-36.5174.4-72.5175.4178.7-176.20112.4L43 H44 L45L43-K47 WeakPolarHBondContact O-CG 3.33Å; L43-K47 PolarHBondContact O-N 3.26Å; H44-K47 WeakPolarHBondContact O-CB 3.31Å; H44-K47 PolarHBondContact O-N 3.38Å; L45-K47 VanDerWaalsContact C-N 3.3Å; L45-K47 PolarHBondContact O-N 3.09Å
48E96.6Very high94.5Very high105 Ų10588 Ų8849%0.49146%0.455SS..Hα-helixtrans-72.5-33.2-179.9-171.7174.417300112H44 L45 P50H44-E48 IonicContact CE1-OE2 3.21Å; H44-E48 PolarHBondContact CE1-OE2 3.04Å; H44-E48 IonicContact ND1-OE2 3.01Å; H44-E48 PolarHBondContact ND1-OE2 3.02Å; H44-E48 WeakPolarHBondContact O-CB 3.48Å; H44-E48 PolarHBondContact O-N 3.39Å; L45-E48 PolarHBondContact O-N 3.34Å; E48-P50 WeakPolarHBondContact O-CD 3.11Å
49F95.5Very high94.5Very high94 Ų9489.5 Ų89.541%0.41247%0.465SS..  trans-119.678.9177.3-56.7-71.5000111.6L45 C51 L52L45-F49 HydrophobicContact CD2-CD2 4.45Å; L45-F49 HydrophobicContact CD2-CE2 4.12Å; L45-F49 WeakPolarHBondContact O-CD2 3.41Å; L45-F49 PolarHBondContact O-N 3.29Å; F49-C51 PolarHBondContact O-N 3.24Å; F49-L52 HydrophobicContact CB-CB 3.97Å; F49-L52 WeakPolarHBondContact O-CA 3.23Å; F49-L52 WeakPolarHBondContact O-CB 3.29Å; F49-L52 PolarHBondContact O-N 2.86Å
50P91.1Very high94.4Very high114 Ų11488.1 Ų88.174%0.7446%0.464SS*.THydrogen-bonded Turntrans-60.4-18.5179.5-2534.7000115.1E48 L52E48-P50 WeakPolarHBondContact O-CD 3.11Å; P50-L52 VanDerWaalsContact C-N 3.3Å
51C93.8Very high94.3Very high124 Ų12487.1 Ų87.184%0.83846%0.455SS*.THydrogen-bonded Turntrans-75.6-16.6172.256.40000113.5F49F49-C51 PolarHBondContact O-N 3.24Å
52L92.4Very high94.2Very high41 Ų4186.7 Ų86.722%0.21545%0.453CS..SBendtrans-95.692.5176.2-176.663.8000109.3L46 F49 P50 L57 I60L46-L52 VanDerWaalsContact CD2-O 3.3Å; L46-L52 WeakPolarHBondContact CD2-O 3.34Å; F49-L52 HydrophobicContact CB-CB 3.97Å; F49-L52 WeakPolarHBondContact O-CA 3.23Å; F49-L52 WeakPolarHBondContact O-CB 3.29Å; F49-L52 PolarHBondContact O-N 2.86Å; P50-L52 VanDerWaalsContact C-N 3.3Å; L52-L57 HydrophobicContact CD2-CB 4.18Å; L52-L57 HydrophobicContact CD2-CD1 4.16Å; L52-L57 HydrophobicContact CG-CB 4.18Å; L52-I60 HydrophobicContact CD1-CD1 3.77Å; L52-I60 HydrophobicContact CD2-CD1 4.43Å
53G91.4Very high94.2Very high44 Ų4489.4 Ų89.445%0.45447%0.473SS..  trans-65.2164.1173.300000113.1E55 G56 L57G53-E55 PolarHBondContact O-N 2.91Å; G53-G56 WeakPolarHBondContact O-CA 3.44Å; G53-G56 PolarHBondContact O-N 3.4Å; G53-L57 PolarHBondContact O-N 3.19Å
54Q92.1Very high94.2Very high88 Ų8887.2 Ų87.241%0.41146%0.463SS..Hα-helixtrans-51.7-50.3-179.8-17958.551.800112.5G56 L57 D58Q54-G56 VanDerWaalsContact C-N 3.29Å; Q54-G56 PolarHBondContact O-N 3.39Å; Q54-L57 PolarHBondContact O-N 3.29Å; Q54-D58 VanDerWaalsContact NE2-CG 3.28Å; Q54-D58 PolarHBondContact NE2-OD1 2.99Å; Q54-D58 PolarHBondContact NE2-OD2 3.32Å; Q54-D58 PolarHBondContact O-N 3.32Å
55E93.5Very high93.9Very high168 Ų16885.4 Ų85.479%0.78546%0.464SS*.Hα-helixtrans-60.3-37.2177.4-62.4-177.8160.600112.7G53 D58 K59G53-E55 PolarHBondContact O-N 2.91Å; E55-D58 PolarHBondContact O-N 3.49Å; E55-K59 WeakPolarHBondContact O-CB 3.44Å; E55-K59 PolarHBondContact O-N 2.96Å
56G94.4Very high93.7Very high33 Ų3386.8 Ų86.834%0.3447%0.471SS..Hα-helixtrans-65.4-42.8177.300000111.8G53 Q54 I60G53-G56 WeakPolarHBondContact O-CA 3.44Å; G53-G56 PolarHBondContact O-N 3.4Å; Q54-G56 VanDerWaalsContact C-N 3.29Å; Q54-G56 PolarHBondContact O-N 3.39Å; G56-I60 VanDerWaalsContact O-CG1 3.31Å; G56-I60 WeakPolarHBondContact O-CG1 3.48Å; G56-I60 PolarHBondContact O-N 3.47Å
57L95Very high93.4Very high12 Ų1287.3 Ų87.36%0.06348%0.48CS..Hα-helixtrans-67.5-40.8175.3179.756.9000111.9K42 L46 L52 G53 Q54 K59 I60 L61K42-L57 HydrophobicContact CD-CD2 4.45Å; K42-L57 HydrophobicContact CG-CD2 3.61Å; L46-L57 HydrophobicContact CD1-CD2 4.07Å; L46-L57 HydrophobicContact CD2-CB 4.01Å; L46-L57 HydrophobicContact CD2-CD2 3.68Å; L46-L57 HydrophobicContact CG-CD2 3.65Å; L52-L57 HydrophobicContact CD2-CB 4.18Å; L52-L57 HydrophobicContact CD2-CD1 4.16Å; L52-L57 HydrophobicContact CG-CB 4.18Å; G53-L57 PolarHBondContact O-N 3.19Å; Q54-L57 PolarHBondContact O-N 3.29Å; L57-K59 VanDerWaalsContact C-N 3.35Å; L57-K59 PolarHBondContact O-N 2.84Å; L57-I60 PolarHBondContact O-N 3.22Å; L57-L61 HydrophobicContact CD1-CD1 4.48Å; L57-L61 HydrophobicContact CD1-CG 4.41Å; L57-L61 HydrophobicContact CG-CD1 4.26Å; L57-L61 WeakPolarHBondContact O-CG 3.49Å; L57-L61 PolarHBondContact O-N 2.87Å
58D94.4Very high93Very high63 Ų6380.9 Ų80.934%0.33746%0.459SS..Hα-helixtrans-64.4-39.8177.3-70.1-31.4000111.7K42 Q54 E55 I60 L61 E62K42-D58 WeakPolarHBondContact CE-OD1 3.31Å; K42-D58 IonicContact NZ-OD1 2.64Å; K42-D58 PolarHBondContact NZ-OD1 3.3Å; Q54-D58 VanDerWaalsContact NE2-CG 3.28Å; Q54-D58 PolarHBondContact NE2-OD1 2.99Å; Q54-D58 PolarHBondContact NE2-OD2 3.32Å; Q54-D58 PolarHBondContact O-N 3.32Å; E55-D58 PolarHBondContact O-N 3.49Å; D58-I60 PolarHBondContact O-N 3.4Å; D58-L61 PolarHBondContact O-N 3.08Å; D58-E62 WeakPolarHBondContact O-CB 3.43Å; D58-E62 PolarHBondContact O-N 3.2Å
59K95.5Very high92.4Very high144 Ų14477.8 Ų77.863%0.62646%0.455SS*.Hα-helixtrans-65.8-34.7173.5-169.8165.8-171.6165.20113.4E55 L57 V63E55-K59 WeakPolarHBondContact O-CB 3.44Å; E55-K59 PolarHBondContact O-N 2.96Å; L57-K59 VanDerWaalsContact C-N 3.35Å; L57-K59 PolarHBondContact O-N 2.84Å; K59-V63 WeakPolarHBondContact O-CG2 3.34Å; K59-V63 PolarHBondContact O-N 3.09Å; K59-V63 VanDerWaalsContact O-N 3.09Å
60I95.1Very high91.9Very high87 Ų8779.3 Ų79.345%0.44646%0.464SS..Hα-helixtrans-64.9-44.3171.4-70.4167.8000110.3L52 G56 L57 D58 E62 V63 V64L52-I60 HydrophobicContact CD1-CD1 3.77Å; L52-I60 HydrophobicContact CD2-CD1 4.43Å; G56-I60 VanDerWaalsContact O-CG1 3.31Å; G56-I60 WeakPolarHBondContact O-CG1 3.48Å; G56-I60 PolarHBondContact O-N 3.47Å; L57-I60 PolarHBondContact O-N 3.22Å; D58-I60 PolarHBondContact O-N 3.4Å; I60-E62 VanDerWaalsContact C-N 3.35Å; I60-E62 PolarHBondContact O-N 3.5Å; I60-V63 PolarHBondContact O-N 3.48Å; I60-V64 HydrophobicContact CG2-CG2 4.41Å; I60-V64 WeakPolarHBondContact O-CB 3.28Å; I60-V64 VanDerWaalsContact O-CG2 3.29Å; I60-V64 WeakPolarHBondContact O-CG2 3.29Å; I60-V64 PolarHBondContact O-N 3.01Å
61L93.8Very high91.4Very high56 Ų5675.5 Ų75.529%0.29345%0.445SS..Hα-helixtrans-64.2-38.3178.3-70.6169.2000112.2L57 D58 V64 S65L57-L61 HydrophobicContact CD1-CD1 4.48Å; L57-L61 HydrophobicContact CD1-CG 4.41Å; L57-L61 HydrophobicContact CG-CD1 4.26Å; L57-L61 WeakPolarHBondContact O-CG 3.49Å; L57-L61 PolarHBondContact O-N 2.87Å; D58-L61 PolarHBondContact O-N 3.08Å; L61-V64 PolarHBondContact O-N 3.49Å; L61-S65 VanDerWaalsContact O-CB 3.23Å; L61-S65 WeakPolarHBondContact O-CB 3.39Å; L61-S65 PolarHBondContact O-N 2.84Å
62E94.6Very high90.8Very high119 Ų11973.2 Ų73.256%0.55643%0.427SS*.Hα-helixtrans-59.9-53.6172.9-175.7178.3-148.900111.3D58 I60 V64 S65 D66D58-E62 WeakPolarHBondContact O-CB 3.43Å; D58-E62 PolarHBondContact O-N 3.2Å; I60-E62 VanDerWaalsContact C-N 3.35Å; I60-E62 PolarHBondContact O-N 3.5Å; E62-V64 VanDerWaalsContact C-N 3.31Å; E62-V64 PolarHBondContact O-N 2.98Å; E62-S65 WeakPolarHBondContact O-CB 3.38Å; E62-S65 PolarHBondContact O-N 3.12Å; E62-S65 VanDerWaalsContact O-N 3.1Å; E62-D66 PolarHBondContact O-N 3Å
63V94.3Very high90.1Very high93 Ų9373.6 Ų73.656%0.56444%0.436SS*.Hα-helixtrans-59.8-39.6178.2171.10000112.2K59 I60 A67K59-V63 WeakPolarHBondContact O-CG2 3.34Å; K59-V63 PolarHBondContact O-N 3.09Å; K59-V63 VanDerWaalsContact O-N 3.09Å; I60-V63 PolarHBondContact O-N 3.48Å; V63-A67 WeakPolarHBondContact O-CB 3.38Å; V63-A67 PolarHBondContact O-N 3.14Å
64V92.6Very high89.6Confident55 Ų5577 Ų7733%0.33344%0.443SS..Hα-helixtrans-66.6-42.1175.6167.90000111.3I60 L61 E62 A68 I74I60-V64 HydrophobicContact CG2-CG2 4.41Å; I60-V64 WeakPolarHBondContact O-CB 3.28Å; I60-V64 VanDerWaalsContact O-CG2 3.29Å; I60-V64 WeakPolarHBondContact O-CG2 3.29Å; I60-V64 PolarHBondContact O-N 3.01Å; L61-V64 PolarHBondContact O-N 3.49Å; E62-V64 VanDerWaalsContact C-N 3.31Å; E62-V64 PolarHBondContact O-N 2.98Å; V64-A68 VanDerWaalsContact O-CB 3.29Å; V64-A68 WeakPolarHBondContact O-CB 3.42Å; V64-A68 PolarHBondContact O-N 3.16Å; V64-I74 HydrophobicContact CG1-CB 4.5Å; V64-I74 HydrophobicContact CG1-CD1 4.04Å; V64-I74 HydrophobicContact CG1-CG1 4.07Å; V64-I74 HydrophobicContact CG1-CG2 3.67Å
65S91.7Very high88.7Confident77 Ų7778.3 Ų78.354%0.53846%0.457SS..Hα-helixtrans-62.7-44.1176.9-178.90000111.7L61 E62 A68 G69L61-S65 VanDerWaalsContact O-CB 3.23Å; L61-S65 WeakPolarHBondContact O-CB 3.39Å; L61-S65 PolarHBondContact O-N 2.84Å; E62-S65 WeakPolarHBondContact O-CB 3.38Å; E62-S65 PolarHBondContact O-N 3.12Å; E62-S65 VanDerWaalsContact O-N 3.1Å; S65-A68 PolarHBondContact O-N 3.32Å; S65-G69 PolarHBondContact O-N 2.83Å
66D91Very high87.3Confident103 Ų10373.1 Ų73.155%0.55145%0.449SS*.Hα-helixtrans-65.1-45.2177.7-83.9-6.7000112.3E62 A68 G69 Q70E62-D66 PolarHBondContact O-N 3Å; D66-A68 PolarHBondContact O-N 3.06Å; D66-G69 WeakPolarHBondContact O-CA 3.35Å; D66-G69 PolarHBondContact O-N 2.95Å; D66-G69 VanDerWaalsContact O-N 3.13Å; D66-Q70 PolarHBondContact O-N 2.98Å
67A88.8Confident85.7Confident43 Ų4380.1 Ų80.136%0.35548%0.478SS..Hα-helixtrans-61.7-43.6176.500000111.8V63 G69 Q70 G71 V72V63-A67 WeakPolarHBondContact O-CB 3.38Å; V63-A67 PolarHBondContact O-N 3.14Å; A67-G69 VanDerWaalsContact C-N 3.31Å; A67-G69 PolarHBondContact O-N 3.36Å; A67-Q70 PolarHBondContact O-N 2.98Å; A67-G71 PolarHBondContact O-N 3.1Å; A67-V72 WeakPolarHBondContact O-CB 3.36Å; A67-V72 PolarHBondContact O-N 2.96Å; A67-V72 VanDerWaalsContact O-N 3.16Å
68A86.5Confident83.9Confident36 Ų3686.5 Ų86.530%0.29851%0.508SS..Hα-helixtrans-62-39.7172.500000111.7V64 S65 D66 Q70 G71 I74V64-A68 VanDerWaalsContact O-CB 3.29Å; V64-A68 WeakPolarHBondContact O-CB 3.42Å; V64-A68 PolarHBondContact O-N 3.16Å; S65-A68 PolarHBondContact O-N 3.32Å; D66-A68 PolarHBondContact O-N 3.06Å; A68-Q70 PolarHBondContact O-N 3.34Å; A68-G71 WeakPolarHBondContact O-CA 3.38Å; A68-G71 PolarHBondContact O-N 2.89Å; A68-I74 HydrophobicContact CB-CD1 3.75Å; A68-I74 HydrophobicContact CB-CG1 3.74Å
69G83.8Confident82.3Confident39 Ų3988.2 Ų88.240%0.40252%0.52SS..Hα-helixtrans-58.8-30.7174.600000113.5S65 D66 A67 G71 K107S65-G69 PolarHBondContact O-N 2.83Å; D66-G69 WeakPolarHBondContact O-CA 3.35Å; D66-G69 PolarHBondContact O-N 2.95Å; D66-G69 VanDerWaalsContact O-N 3.13Å; A67-G69 VanDerWaalsContact C-N 3.31Å; A67-G69 PolarHBondContact O-N 3.36Å; G69-G71 VanDerWaalsContact C-N 3.32Å; G69-K107 VanDerWaalsContact O-CE 3.23Å; G69-K107 WeakPolarHBondContact O-CE 3.38Å; G69-K107 PolarHBondContact O-NZ 3.15Å
70Q85Confident81Confident126 Ų12683.6 Ų83.659%0.58950%0.5SS*.THydrogen-bonded Turntrans-79.3-9.6171.5-59-51.1-3600114.1D66 A67 A68D66-Q70 PolarHBondContact O-N 2.98Å; A67-Q70 PolarHBondContact O-N 2.98Å; A68-Q70 PolarHBondContact O-N 3.34Å
71G79.2Confident80Confident34 Ų3484 Ų8435%0.35150%0.504SS..THydrogen-bonded Turntrans90.320.7-177.800000114.1A67 A68 G69A67-G71 PolarHBondContact O-N 3.1Å; A68-G71 WeakPolarHBondContact O-CA 3.38Å; A68-G71 PolarHBondContact O-N 2.89Å; G69-G71 VanDerWaalsContact C-N 3.32Å
72V82.3Confident79.2Confident76 Ų7683.2 Ų83.246%0.46150%0.5SS..  trans-80.3135.7168.7-173.90000108.7A67 I74 T79A67-V72 WeakPolarHBondContact O-CB 3.36Å; A67-V72 PolarHBondContact O-N 2.96Å; A67-V72 VanDerWaalsContact O-N 3.16Å; V72-I74 PolarHBondContact O-N 3.39Å; V72-T79 HydrophobicContact CG1-CG2 4.41Å
73A78.2Confident78.9Confident49 Ų4983.5 Ų83.541%0.40550%0.496SS..  trans-67126.2173.400000110.3T75A73-T75 PolarHBondContact O-N 3.25Å
74I80.3Confident78.7Confident115 Ų11581.7 Ų81.759%0.5948%0.483SS*.SBendtrans-63.2-30.8179.9-61172.7000111.6V64 A68 V72V64-I74 HydrophobicContact CG1-CB 4.5Å; V64-I74 HydrophobicContact CG1-CD1 4.04Å; V64-I74 HydrophobicContact CG1-CG1 4.07Å; V64-I74 HydrophobicContact CG1-CG2 3.67Å; A68-I74 HydrophobicContact CB-CD1 3.75Å; A68-I74 HydrophobicContact CB-CG1 3.74Å; V72-I74 PolarHBondContact O-N 3.39Å
75T73.2Confident78.5Confident117 Ų11788.6 Ų88.672%0.71850%0.503SS*.SBendtrans-126.3139.8-172.756.90000112.2A73A73-T75 PolarHBondContact O-N 3.25Å
76G64.3Low78.3Confident59 Ų5987.3 Ų87.361%0.60849%0.493SS*.  trans109.7140.117100000114.1Q78G76-Q78 PolarHBondContact O-N 2.9Å
77N59.8Low78.1Confident179 Ų17983 Ų8396%0.95747%0.47SS*.SBendtrans-73.4-8.9179.8-70.80.7000113.9
78Q57.3Low78.3Confident146 Ų14682.3 Ų82.368%0.68246%0.464SS*.SBendtrans-116.396.9179.3-64.5-174.68.100108.9G76 F80G76-Q78 PolarHBondContact O-N 2.9Å; Q78-F80 PolarHBondContact O-N 2.88Å
79T61.9Low78.6Confident99 Ų9984.7 Ų84.761%0.60747%0.47SS*.  trans-67.6113.3172.945.60000109.3V72 N81V72-T79 HydrophobicContact CG1-CG2 4.41Å; T79-N81 PolarHBondContact O-N 3.33Å; T79-N81 VanDerWaalsContact O-N 3.1Å
80F68.6Low78.9Confident47 Ų4784.6 Ų84.621%0.20646%0.46CS..  trans-66.5112.5175.7174.2-114.1000109.6Q78 N82 N87 V213 P215Q78-F80 PolarHBondContact O-N 2.88Å; F80-N82 VanDerWaalsContact C-N 3.35Å; F80-N82 WeakPolarHBondContact CD1-OD1 3.31Å; F80-N82 WeakPolarHBondContact CE1-OD1 3.2Å; F80-N82 PolarHBondContact O-N 2.8Å; F80-N87 WeakPolarHBondContact CE2-ND2 3.41Å; F80-N87 WeakPolarHBondContact CZ-ND2 3.4Å; F80-N87 WeakPolarHBondContact CZ-OD1 3.45Å; F80-V213 HydrophobicContact CE1-CB 4Å; F80-V213 HydrophobicContact CE1-CG1 4.2Å; F80-P215 HydrophobicContact CB-CB 4.25Å; F80-P215 HydrophobicContact CB-CG 3.88Å
81N73.4Confident79.3Confident97 Ų9780.5 Ų80.552%0.51944%0.441SS..  trans-72.487.1-175.4-178.4-5.3000111.5T79 W83 N84 N87T79-N81 PolarHBondContact O-N 3.33Å; T79-N81 VanDerWaalsContact O-N 3.1Å; N81-W83 PolarHBondContact O-N 3.28Å; N81-W83 PolarHBondContact OD1-N 2.98Å; N81-W83 VanDerWaalsContact OD1-N 3.13Å; N81-N84 PolarHBondContact O-N 3.42Å; N81-N84 PolarHBondContact O-ND2 3.37Å; N81-N84 PolarHBondContact OD1-N 3.47Å; N81-N87 PolarHBondContact O-ND2 3.01Å
82N77Confident80Confident38 Ų3880 Ų8020%0.20343%0.433CS..THydrogen-bonded Turntrans-56.6-16.9179.6-75.2-41000115.4F80 N87 V104F80-N82 VanDerWaalsContact C-N 3.35Å; F80-N82 WeakPolarHBondContact CD1-OD1 3.31Å; F80-N82 WeakPolarHBondContact CE1-OD1 3.2Å; F80-N82 PolarHBondContact O-N 2.8Å; N82-N87 WeakPolarHBondContact O-CB 3.23Å; N82-V104 HydrophobicContact CB-CG1 4.01Å; N82-V104 HydrophobicContact CB-CG2 3.82Å; N82-V104 VanDerWaalsContact CG-CG2 3.45Å; N82-V104 WeakPolarHBondContact OD1-CG2 3.18Å
83W88.4Confident80.6Confident126 Ų12676.7 Ų76.748%0.47741%0.413SS..THydrogen-bonded Turntrans-115.817.4-174.5-65.3109.5000114.5N81 F91 V104N81-W83 PolarHBondContact O-N 3.28Å; N81-W83 PolarHBondContact OD1-N 2.98Å; N81-W83 VanDerWaalsContact OD1-N 3.13Å; W83-F91 HydrophobicContact CH2-CD1 4.02Å; W83-F91 HydrophobicContact CH2-CD2 4.31Å; W83-F91 AromaticContact CH2-CE1 4Å; W83-F91 HydrophobicContact CH2-CE1 4Å; W83-F91 HydrophobicContact CH2-CE2 4.29Å; W83-F91 HydrophobicContact CH2-CG 4.19Å; W83-F91 HydrophobicContact CH2-CZ 4.15Å; W83-F91 AromaticContact CZ3-CD1 3.79Å; W83-F91 HydrophobicContact CZ3-CD1 3.79Å; W83-F91 HydrophobicContact CZ3-CE1 4.1Å; W83-F91 HydrophobicContact CZ3-CG 4.12Å; W83-V104 HydrophobicContact CD2-CG1 4.45Å; W83-V104 HydrophobicContact CH2-CG1 3.97Å; W83-V104 HydrophobicContact CZ2-CG1 3.48Å; W83-V104 VanDerWaalsContact CZ2-CG1 3.48Å
84N89Confident81.4Confident54 Ų5474.9 Ų74.929%0.28940%0.397SS..SBendtrans-67.8164.1164.871.932.9000111.6N81 P86 N87 A88N81-N84 PolarHBondContact O-N 3.42Å; N81-N84 PolarHBondContact O-ND2 3.37Å; N81-N84 PolarHBondContact OD1-N 3.47Å; N84-P86 WeakPolarHBondContact OD1-CD 3.39Å; N84-N87 PolarHBondContact ND2-ND2 3.39Å; N84-N87 PolarHBondContact O-N 2.95Å; N84-N87 VanDerWaalsContact O-N 3.16Å; N84-N87 VanDerWaalsContact OD1-CB 3.26Å; N84-N87 WeakPolarHBondContact OD1-CB 3.44Å; N84-N87 PolarHBondContact OD1-N 3.14Å; N84-N87 PolarHBondContact OD1-ND2 2.85Å; N84-A88 WeakPolarHBondContact O-CB 3.43Å; N84-A88 PolarHBondContact O-N 3.31Å
85W89.4Confident82.2Confident201 Ų20170.6 Ų70.676%0.76138%0.377SS*.Hα-helixtrans-56.5-48.2-173.5174.5-97.6000114.8N87 A88 M89W85-N87 VanDerWaalsContact C-N 3.35Å; W85-N87 PolarHBondContact O-N 3.38Å; W85-A88 PolarHBondContact O-N 3.28Å; W85-M89 HydrophobicContact CZ2-CE 4Å; W85-M89 WeakPolarHBondContact O-CB 3.35Å; W85-M89 PolarHBondContact O-N 2.77Å
86P87.1Confident83.3Confident49 Ų4966.7 Ų66.732%0.31835%0.351SS..Hα-helixtrans-59-41.2174.4-26.335000113.9N84 M89 I90N84-P86 WeakPolarHBondContact OD1-CD 3.39Å; P86-M89 PolarHBondContact O-N 2.92Å; P86-I90 WeakPolarHBondContact O-CG1 3.27Å; P86-I90 PolarHBondContact O-N 3.32Å; P86-I90 VanDerWaalsContact O-N 3.14Å
87N87.8Confident84.7Confident12 Ų1264.1 Ų64.16%0.06432%0.324CS..Hα-helixtrans-71.2-40.4-179.7-68.8-17.1000112F80 N81 N82 N84 W85 M89 I90 F91 R224F80-N87 WeakPolarHBondContact CE2-ND2 3.41Å; F80-N87 WeakPolarHBondContact CZ-ND2 3.4Å; F80-N87 WeakPolarHBondContact CZ-OD1 3.45Å; N81-N87 PolarHBondContact O-ND2 3.01Å; N82-N87 WeakPolarHBondContact O-CB 3.23Å; N84-N87 PolarHBondContact ND2-ND2 3.39Å; N84-N87 PolarHBondContact O-N 2.95Å; N84-N87 VanDerWaalsContact O-N 3.16Å; N84-N87 VanDerWaalsContact OD1-CB 3.26Å; N84-N87 WeakPolarHBondContact OD1-CB 3.44Å; N84-N87 PolarHBondContact OD1-N 3.14Å; N84-N87 PolarHBondContact OD1-ND2 2.85Å; W85-N87 VanDerWaalsContact C-N 3.35Å; W85-N87 PolarHBondContact O-N 3.38Å; N87-M89 VanDerWaalsContact C-N 3.27Å; N87-M89 PolarHBondContact O-N 3.48Å; N87-I90 PolarHBondContact O-N 3.31Å; N87-F91 WeakPolarHBondContact O-CB 3.33Å; N87-F91 PolarHBondContact O-N 2.86Å; N87-R224 PolarHBondContact OD1-NH1 3.38Å
88A92.6Very high86.5Confident30 Ų3058.9 Ų58.925%0.24830%0.298CS..Hα-helixtrans-62.2-34.9173.900000112.1N84 W85 A92N84-A88 WeakPolarHBondContact O-CB 3.43Å; N84-A88 PolarHBondContact O-N 3.31Å; W85-A88 PolarHBondContact O-N 3.28Å; A88-A92 VanDerWaalsContact O-CB 3.28Å; A88-A92 WeakPolarHBondContact O-CB 3.38Å; A88-A92 PolarHBondContact O-N 2.9Å
89M91.4Very high88.3Confident86 Ų8652.1 Ų52.142%0.42427%0.267SS..Hα-helixtrans-66.1-43.5174.1-176-178.2-6700112.1W85 P86 N87 A92 A93 Y225W85-M89 HydrophobicContact CZ2-CE 4Å; W85-M89 WeakPolarHBondContact O-CB 3.35Å; W85-M89 PolarHBondContact O-N 2.77Å; P86-M89 PolarHBondContact O-N 2.92Å; N87-M89 VanDerWaalsContact C-N 3.27Å; N87-M89 PolarHBondContact O-N 3.48Å; M89-A92 PolarHBondContact O-N 3.28Å; M89-A93 PolarHBondContact O-N 2.6Å; M89-Y225 HydrophobicContact SD-CE1 4.33Å
90I90.2Very high89.8Confident37 Ų3749.4 Ų49.419%0.1926%0.258CS..Hα-helixtrans-68.3-42.1176.3-63.2162.7000110.5P86 N87 A92 A93 T94 R224P86-I90 WeakPolarHBondContact O-CG1 3.27Å; P86-I90 PolarHBondContact O-N 3.32Å; P86-I90 VanDerWaalsContact O-N 3.14Å; N87-I90 PolarHBondContact O-N 3.31Å; I90-A92 VanDerWaalsContact C-N 3.35Å; I90-A92 PolarHBondContact O-N 3.33Å; I90-A93 WeakPolarHBondContact O-CB 3.27Å; I90-A93 PolarHBondContact O-N 3.39Å; I90-A93 VanDerWaalsContact O-N 3.17Å; I90-T94 HydrophobicContact CG2-CG2 4.46Å; I90-T94 WeakPolarHBondContact O-CG2 3.49Å; I90-T94 PolarHBondContact O-N 3.49Å; I90-R224 HydrophobicContact CD1-CB 3.81Å; I90-R224 HydrophobicContact CD1-CG 4.33Å
91F93.3Very high91Very high40 Ų4047.8 Ų47.818%0.17525%0.251CS..Hα-helixtrans-55-51.1172.2169.2-98.2000110.9W83 N87 A93 T94 V95 V104W83-F91 HydrophobicContact CH2-CD1 4.02Å; W83-F91 HydrophobicContact CH2-CD2 4.31Å; W83-F91 AromaticContact CH2-CE1 4Å; W83-F91 HydrophobicContact CH2-CE1 4Å; W83-F91 HydrophobicContact CH2-CE2 4.29Å; W83-F91 HydrophobicContact CH2-CG 4.19Å; W83-F91 HydrophobicContact CH2-CZ 4.15Å; W83-F91 AromaticContact CZ3-CD1 3.79Å; W83-F91 HydrophobicContact CZ3-CD1 3.79Å; W83-F91 HydrophobicContact CZ3-CE1 4.1Å; W83-F91 HydrophobicContact CZ3-CG 4.12Å; N87-F91 WeakPolarHBondContact O-CB 3.33Å; N87-F91 PolarHBondContact O-N 2.86Å; F91-A93 VanDerWaalsContact C-N 3.28Å; F91-A93 PolarHBondContact O-N 3.28Å; F91-T94 PolarHBondContact O-N 3.44Å; F91-T94 VanDerWaalsContact O-N 3.08Å; F91-T94 PolarHBondContact O-OG1 3.16Å; F91-V95 HydrophobicContact CE1-CG2 3.99Å; F91-V95 HydrophobicContact CE2-CG2 3.99Å; F91-V95 HydrophobicContact CZ-CG2 3.67Å; F91-V95 WeakPolarHBondContact O-CG2 3.36Å; F91-V95 PolarHBondContact O-N 3.46Å; F91-V104 WeakPolarHBondContact CE2-O 3.43Å
92A95.6Very high91.7Very high22 Ų2245.8 Ų45.818%0.18225%0.254CS..Hα-helixtrans-57.7-40.4177.600000112.3A88 M89 I90 V95 I96 Y118A88-A92 VanDerWaalsContact O-CB 3.28Å; A88-A92 WeakPolarHBondContact O-CB 3.38Å; A88-A92 PolarHBondContact O-N 2.9Å; M89-A92 PolarHBondContact O-N 3.28Å; I90-A92 VanDerWaalsContact C-N 3.35Å; I90-A92 PolarHBondContact O-N 3.33Å; A92-V95 PolarHBondContact O-N 3.21Å; A92-I96 PolarHBondContact O-N 3.05Å; A92-I96 VanDerWaalsContact O-N 3.16Å; A92-Y118 HydrophobicContact CB-CE1 3.93Å
93A93.8Very high92.2Very high7 Ų747.3 Ų47.36%0.05826%0.262CS..Hα-helixtrans-62.1-44.2173.400000113.1M89 I90 F91 V95 I96 T97 E228 Y232M89-A93 PolarHBondContact O-N 2.6Å; I90-A93 WeakPolarHBondContact O-CB 3.27Å; I90-A93 PolarHBondContact O-N 3.39Å; I90-A93 VanDerWaalsContact O-N 3.17Å; F91-A93 VanDerWaalsContact C-N 3.28Å; F91-A93 PolarHBondContact O-N 3.28Å; A93-V95 VanDerWaalsContact C-N 3.26Å; A93-V95 PolarHBondContact O-N 3.48Å; A93-I96 WeakPolarHBondContact O-CG1 3.28Å; A93-I96 PolarHBondContact O-N 2.71Å; A93-T97 WeakPolarHBondContact O-CB 3.24Å; A93-T97 WeakPolarHBondContact O-CG2 3.43Å; A93-T97 PolarHBondContact O-N 3.13Å; A93-T97 PolarHBondContact O-OG1 2.97Å; A93-E228 VanDerWaalsContact CB-OE1 3.25Å; A93-E228 WeakPolarHBondContact CB-OE1 3.4Å; A93-Y232 VanDerWaalsContact CB-OH 3.24Å; A93-Y232 WeakPolarHBondContact CB-OH 3.36Å
94T95Very high92.2Very high11 Ų1142.3 Ų42.37%0.06725%0.245CC..Hα-helixtrans-65.8-28.6178.464.40000113I90 F91 T97 I99 G100 Y101I90-T94 HydrophobicContact CG2-CG2 4.46Å; I90-T94 WeakPolarHBondContact O-CG2 3.49Å; I90-T94 PolarHBondContact O-N 3.49Å; F91-T94 PolarHBondContact O-N 3.44Å; F91-T94 VanDerWaalsContact O-N 3.08Å; F91-T94 PolarHBondContact O-OG1 3.16Å; T94-T97 WeakPolarHBondContact CA-OG1 3.3Å; T94-T97 PolarHBondContact O-OG1 3.25Å; T94-I99 PolarHBondContact O-N 3.32Å; T94-I99 VanDerWaalsContact O-N 3.12Å; T94-G100 PolarHBondContact O-N 3.01Å; T94-Y101 HydrophobicContact CG2-CD2 3.6Å; T94-Y101 HydrophobicContact CG2-CE2 3.71Å
95V96.6Very high92.3Very high26 Ų2641.5 Ų41.516%0.15825%0.245CC..Hα-helixtrans-70.2-51.8174173.20000110.6F91 A92 A93 T97 T98 Y118F91-V95 HydrophobicContact CE1-CG2 3.99Å; F91-V95 HydrophobicContact CE2-CG2 3.99Å; F91-V95 HydrophobicContact CZ-CG2 3.67Å; F91-V95 WeakPolarHBondContact O-CG2 3.36Å; F91-V95 PolarHBondContact O-N 3.46Å; A92-V95 PolarHBondContact O-N 3.21Å; A93-V95 VanDerWaalsContact C-N 3.26Å; A93-V95 PolarHBondContact O-N 3.48Å; V95-T97 VanDerWaalsContact C-N 3.33Å; V95-T97 PolarHBondContact O-N 3.46Å; V95-T98 PolarHBondContact O-N 3.18Å; V95-Y118 HydrophobicContact CB-CD1 4.49Å; V95-Y118 HydrophobicContact CB-CE1 4.49Å; V95-Y118 HydrophobicContact CG1-CD1 4.02Å; V95-Y118 HydrophobicContact CG1-CE1 4.43Å
96I96.5Very high92.5Very high35 Ų3533 Ų3318%0.17922%0.216CC..Hα-helixtrans-72.6-24.6-17666.9175.4000113.7A92 A93 T98 Y118 C126A92-I96 PolarHBondContact O-N 3.05Å; A92-I96 VanDerWaalsContact O-N 3.16Å; A93-I96 WeakPolarHBondContact O-CG1 3.28Å; A93-I96 PolarHBondContact O-N 2.71Å; I96-T98 VanDerWaalsContact C-N 3.26Å; I96-Y118 HydrophobicContact CG2-CD1 4.25Å; I96-Y118 HydrophobicContact CG2-CE1 3.51Å; I96-C126 HydrophobicContact CB-CB 4.09Å; I96-C126 HydrophobicContact CD1-CB 4.41Å; I96-C126 HydrophobicContact CG1-CB 4.25Å; I96-C126 VanDerWaalsContact O-CB 3.24Å; I96-C126 WeakPolarHBondContact O-CB 3.24Å
97T94.8Very high92.7Very high5 Ų534.5 Ų34.53%0.03122%0.218CC..THydrogen-bonded Turntrans-82.5-0.5174.152.60000113.7A93 T94 V95 I99 Y232 L235A93-T97 WeakPolarHBondContact O-CB 3.24Å; A93-T97 WeakPolarHBondContact O-CG2 3.43Å; A93-T97 PolarHBondContact O-N 3.13Å; A93-T97 PolarHBondContact O-OG1 2.97Å; T94-T97 WeakPolarHBondContact CA-OG1 3.3Å; T94-T97 PolarHBondContact O-OG1 3.25Å; V95-T97 VanDerWaalsContact C-N 3.33Å; V95-T97 PolarHBondContact O-N 3.46Å; T97-I99 PolarHBondContact O-N 3.42Å; T97-Y232 HydrophobicContact CG2-CD1 4.17Å; T97-Y232 HydrophobicContact CG2-CE1 3.72Å; T97-L235 HydrophobicContact CG2-CD1 3.75Å
98T95.9Very high93.1Very high68 Ų6838 Ų3842%0.41724%0.24SC..THydrogen-bonded Turntrans55.823.4-174.463.30000114.6V95 I96 V123V95-T98 PolarHBondContact O-N 3.18Å; I96-T98 VanDerWaalsContact C-N 3.26Å; T98-V123 HydrophobicContact CG2-CB 4.2Å; T98-V123 HydrophobicContact CG2-CG1 3.48Å; T98-V123 VanDerWaalsContact CG2-CG1 3.48Å; T98-V123 HydrophobicContact CG2-CG2 3.6Å
99I95.7Very high93.3Very high5 Ų542 Ų423%0.02626%0.263CS..  trans-77.4-50.5173-63.1170.9000109.7T94 T97 Y101 T200 T203 G205 I231 L235T94-I99 PolarHBondContact O-N 3.32Å; T94-I99 VanDerWaalsContact O-N 3.12Å; T97-I99 PolarHBondContact O-N 3.42Å; I99-Y101 HydrophobicContact CG2-CD1 3.94Å; I99-Y101 HydrophobicContact CG2-CD2 4.22Å; I99-Y101 HydrophobicContact CG2-CE1 3.75Å; I99-Y101 HydrophobicContact CG2-CE2 4.03Å; I99-Y101 HydrophobicContact CG2-CG 4.18Å; I99-Y101 PolarHBondContact O-N 3.03Å; I99-T200 HydrophobicContact CD1-CG2 4.31Å; I99-T203 HydrophobicContact CG1-CG2 3.97Å; I99-G205 WeakPolarHBondContact O-CA 3.41Å; I99-I231 HydrophobicContact CD1-CG2 3.49Å; I99-I231 VanDerWaalsContact CD1-CG2 3.49Å; I99-L235 HydrophobicContact CD1-CD1 4.39Å
100G94.3Very high93.6Very high42 Ų4241.4 Ų41.443%0.43327%0.272SS..  trans54.149.9170.100000116.3T94 G102T94-G100 PolarHBondContact O-N 3.01Å; G100-G102 PolarHBondContact O-N 3.18Å
101Y93Very high93.9Very high12 Ų1240.5 Ų40.55%0.04727%0.272CS..  trans-45.4-27.8-176-66.5-64.4000115.9T94 I99 N103 Y196 T200 G205 G207 V210T94-Y101 HydrophobicContact CG2-CD2 3.6Å; T94-Y101 HydrophobicContact CG2-CE2 3.71Å; I99-Y101 HydrophobicContact CG2-CD1 3.94Å; I99-Y101 HydrophobicContact CG2-CD2 4.22Å; I99-Y101 HydrophobicContact CG2-CE1 3.75Å; I99-Y101 HydrophobicContact CG2-CE2 4.03Å; I99-Y101 HydrophobicContact CG2-CG 4.18Å; I99-Y101 PolarHBondContact O-N 3.03Å; Y101-N103 PolarHBondContact O-N 3.2Å; Y101-Y196 AromaticContact CE1-CE2 4Å; Y101-Y196 HydrophobicContact CE1-CE2 4Å; Y101-Y196 PolarHBondContact OH-OH 3.17Å; Y101-T200 WeakPolarHBondContact OH-CG2 3.22Å; Y101-T200 PolarHBondContact OH-OG1 3.05Å; Y101-G205 VanDerWaalsContact CA-O 3.29Å; Y101-G205 WeakPolarHBondContact CA-O 3.29Å; Y101-G207 VanDerWaalsContact O-CA 3.23Å; Y101-G207 WeakPolarHBondContact O-CA 3.35Å; Y101-V210 HydrophobicContact CD1-CG2 4.02Å; Y101-V210 HydrophobicContact CD2-CG1 4.31Å; Y101-V210 HydrophobicContact CD2-CG2 4.29Å; Y101-V210 HydrophobicContact CE1-CG2 4.49Å; Y101-V210 HydrophobicContact CE2-CG1 4.32Å; Y101-V210 HydrophobicContact CG-CG2 3.91Å
102G89.1Confident94.1Very high56 Ų5645.3 Ų45.358%0.57729%0.289SS*.  trans75-13.3173.800000115.8G100 V104G100-G102 PolarHBondContact O-N 3.18Å; G102-V104 PolarHBondContact O-N 3.2Å; G102-V104 VanDerWaalsContact O-N 3.16Å
103N86.6Confident94.2Very high70 Ų7049.4 Ų49.437%0.37431%0.307SS..SBendtrans-56.2-26.5170.772.1-40.9000113Y101 V210Y101-N103 PolarHBondContact O-N 3.2Å; N103-V210 HydrophobicContact CB-CG2 4.4Å
104V87.9Confident94.4Very high21 Ų2155.6 Ų55.613%0.12733%0.333CS..SBendtrans-131129.9170-178.10000108.7N82 W83 F91 G102N82-V104 HydrophobicContact CB-CG1 4.01Å; N82-V104 HydrophobicContact CB-CG2 3.82Å; N82-V104 VanDerWaalsContact CG-CG2 3.45Å; N82-V104 WeakPolarHBondContact OD1-CG2 3.18Å; W83-V104 HydrophobicContact CD2-CG1 4.45Å; W83-V104 HydrophobicContact CH2-CG1 3.97Å; W83-V104 HydrophobicContact CZ2-CG1 3.48Å; W83-V104 VanDerWaalsContact CZ2-CG1 3.48Å; F91-V104 WeakPolarHBondContact CE2-O 3.43Å; G102-V104 PolarHBondContact O-N 3.2Å; G102-V104 VanDerWaalsContact O-N 3.16Å
105A91.5Very high94.5Very high36 Ų3656.5 Ų56.530%0.29834%0.339SS..  trans-149147.3-179.400000111.9K107A105-K107 WeakPolarHBondContact O-CE 3.21Å; A105-K107 PolarHBondContact O-N 3.21Å
106P93.8Very high94.6Very high23 Ų2359.8 Ų59.815%0.14936%0.359CS..  trans-65.9124-179.525.9-33.8000111.7R112 C115P106-R112 HydrophobicContact CB-CG 4.33Å; P106-R112 HydrophobicContact CG-CG 4.21Å; P106-R112 VanDerWaalsContact O-CG 3.27Å; P106-R112 WeakPolarHBondContact O-CG 3.31Å; P106-R112 PolarHBondContact O-NE 3.3Å; P106-C115 HydrophobicContact CG-CB 4.12Å
107K91.4Very high94.7Very high81 Ų8163.3 Ų63.335%0.35237%0.373SS..  trans-92.6-26.8179.2-52-62.6173.9164.30112.9G69 A105G69-K107 VanDerWaalsContact O-CE 3.23Å; G69-K107 WeakPolarHBondContact O-CE 3.38Å; G69-K107 PolarHBondContact O-NZ 3.15Å; A105-K107 WeakPolarHBondContact O-CE 3.21Å; A105-K107 PolarHBondContact O-N 3.21Å
108T95.1Very high94.8Very high86 Ų8666.8 Ų66.853%0.52839%0.387SS..SBendtrans-76.3144.2179.261.30000112.2A110 G111 R112T108-A110 VanDerWaalsContact C-N 3.32Å; T108-A110 PolarHBondContact O-N 3.22Å; T108-G111 PolarHBondContact O-N 2.82Å; T108-G111 PolarHBondContact OG1-N 3.08Å; T108-G111 VanDerWaalsContact OG1-N 3.15Å; T108-R112 WeakPolarHBondContact O-CG 3.29Å; T108-R112 PolarHBondContact O-N 3Å
109P96.8Very high94.9Very high113 Ų11364.3 Ų64.373%0.73437%0.374SS*.Hα-helixtrans-56.7-43.2176.2-26.835.1000113.1R112 L113P109-R112 PolarHBondContact O-N 3.47Å; P109-L113 PolarHBondContact O-N 3.33Å
110A97.7Very high95Very high73 Ų7369.1 Ų69.160%0.60340%0.4SS*.Hα-helixtrans-62.6-42.3176.400000112.6T108 L113 F114T108-A110 VanDerWaalsContact C-N 3.32Å; T108-A110 PolarHBondContact O-N 3.22Å; A110-L113 PolarHBondContact O-N 2.81Å; A110-F114 WeakPolarHBondContact O-CB 3.45Å; A110-F114 PolarHBondContact O-N 2.91Å
111G96.9Very high95.1Very high19 Ų1974.3 Ų74.320%0.19641%0.41CS..Hα-helixtrans-65.8-37.3177.100000112.8T108 C115T108-G111 PolarHBondContact O-N 2.82Å; T108-G111 PolarHBondContact OG1-N 3.08Å; T108-G111 VanDerWaalsContact OG1-N 3.15Å; G111-C115 VanDerWaalsContact O-CB 3.29Å; G111-C115 WeakPolarHBondContact O-CB 3.23Å; G111-C115 PolarHBondContact O-N 2.95Å
112R97.3Very high95.3Very high141 Ų14174.2 Ų74.253%0.53241%0.414SS..Hα-helixtrans-65.2-48.3173.7-70.2174.9179.7179.60.1111.6P106 T108 P109 F114 C115 V116P106-R112 HydrophobicContact CB-CG 4.33Å; P106-R112 HydrophobicContact CG-CG 4.21Å; P106-R112 VanDerWaalsContact O-CG 3.27Å; P106-R112 WeakPolarHBondContact O-CG 3.31Å; P106-R112 PolarHBondContact O-NE 3.3Å; T108-R112 WeakPolarHBondContact O-CG 3.29Å; T108-R112 PolarHBondContact O-N 3Å; P109-R112 PolarHBondContact O-N 3.47Å; R112-F114 PolarHBondContact O-N 2.97Å; R112-C115 WeakPolarHBondContact O-CB 3.29Å; R112-C115 PolarHBondContact O-N 3.39Å; R112-C115 VanDerWaalsContact O-N 3.15Å; R112-V116 PolarHBondContact O-N 2.97Å
113L98Very high95.6Very high107 Ų10773 Ų7356%0.5640%0.395SS*.Hα-helixtrans-61.6-43.3177.9-176.361.8000111.8P109 A110 C115 V116 F117P109-L113 PolarHBondContact O-N 3.33Å; A110-L113 PolarHBondContact O-N 2.81Å; L113-C115 VanDerWaalsContact C-N 3.35Å; L113-C115 PolarHBondContact O-N 2.85Å; L113-V116 PolarHBondContact O-N 3.4Å; L113-F117 HydrophobicContact CD1-CD2 4.39Å; L113-F117 HydrophobicContact CD1-CE2 3.72Å; L113-F117 HydrophobicContact CD1-CZ 4.49Å; L113-F117 HydrophobicContact CG-CD2 4.38Å; L113-F117 HydrophobicContact CG-CE2 3.94Å; L113-F117 VanDerWaalsContact O-CD2 3.27Å; L113-F117 WeakPolarHBondContact O-CD2 3.36Å; L113-F117 PolarHBondContact O-N 3.17Å
114F98.1Very high96.1Very high137 Ų13773.1 Ų73.160%0.60140%0.4SS*.Hα-helixtrans-59.4-44.3172.4174.2-100.8000111.9A110 R112 V116 F117 Y118A110-F114 WeakPolarHBondContact O-CB 3.45Å; A110-F114 PolarHBondContact O-N 2.91Å; R112-F114 PolarHBondContact O-N 2.97Å; F114-V116 VanDerWaalsContact C-N 3.27Å; F114-V116 PolarHBondContact O-N 3.26Å; F114-F117 PolarHBondContact O-N 3.44Å; F114-Y118 HydrophobicContact CE1-CD2 4.42Å; F114-Y118 HydrophobicContact CE1-CG 4.28Å; F114-Y118 HydrophobicContact CZ-CD2 4.09Å; F114-Y118 HydrophobicContact CZ-CG 4.35Å; F114-Y118 VanDerWaalsContact O-CB 3.3Å; F114-Y118 WeakPolarHBondContact O-CB 3.42Å; F114-Y118 PolarHBondContact O-N 3.38Å
115C97.8Very high96.4Very high30 Ų3077.9 Ų77.920%0.20342%0.423CS..Hα-helixtrans-60.9-34178.9-167.20000112.9P106 G111 R112 L113 G119P106-C115 HydrophobicContact CG-CB 4.12Å; G111-C115 VanDerWaalsContact O-CB 3.29Å; G111-C115 WeakPolarHBondContact O-CB 3.23Å; G111-C115 PolarHBondContact O-N 2.95Å; R112-C115 WeakPolarHBondContact O-CB 3.29Å; R112-C115 PolarHBondContact O-N 3.39Å; R112-C115 VanDerWaalsContact O-N 3.15Å; L113-C115 VanDerWaalsContact C-N 3.35Å; L113-C115 PolarHBondContact O-N 2.85Å; C115-G119 PolarHBondContact O-N 2.88Å
116V98.1Very high96.5Very high96 Ų9676.4 Ų76.458%0.58241%0.411SS*.Hα-helixtrans-62.1-52.3174.31720000110.9R112 L113 F114 G119 L120R112-V116 PolarHBondContact O-N 2.97Å; L113-V116 PolarHBondContact O-N 3.4Å; F114-V116 VanDerWaalsContact C-N 3.27Å; F114-V116 PolarHBondContact O-N 3.26Å; V116-G119 PolarHBondContact O-N 3.12Å; V116-L120 WeakPolarHBondContact O-CB 3.42Å; V116-L120 PolarHBondContact O-N 3.38Å
117F98.1Very high96.4Very high108 Ų10880 Ų8047%0.47443%0.429SS..Hα-helixtrans-65.7-39.4177.9-68-66.2000112.3L113 F114 G119 L120 F121L113-F117 HydrophobicContact CD1-CD2 4.39Å; L113-F117 HydrophobicContact CD1-CE2 3.72Å; L113-F117 HydrophobicContact CD1-CZ 4.49Å; L113-F117 HydrophobicContact CG-CD2 4.38Å; L113-F117 HydrophobicContact CG-CE2 3.94Å; L113-F117 VanDerWaalsContact O-CD2 3.27Å; L113-F117 WeakPolarHBondContact O-CD2 3.36Å; L113-F117 PolarHBondContact O-N 3.17Å; F114-F117 PolarHBondContact O-N 3.44Å; F117-G119 PolarHBondContact O-N 3.33Å; F117-L120 PolarHBondContact O-N 2.94Å; F117-F121 HydrophobicContact CD1-CE2 4.45Å; F117-F121 WeakPolarHBondContact O-CD2 3.48Å; F117-F121 PolarHBondContact O-N 2.85Å; F117-F121 VanDerWaalsContact O-N 3.16Å
118Y98.1Very high96.4Very high79 Ų7980.5 Ų80.531%0.3144%0.438SS..Hα-helixtrans-62.1-43.3177.6-173.6-106.4000111.9A92 V95 I96 F114 G122A92-Y118 HydrophobicContact CB-CE1 3.93Å; V95-Y118 HydrophobicContact CB-CD1 4.49Å; V95-Y118 HydrophobicContact CB-CE1 4.49Å; V95-Y118 HydrophobicContact CG1-CD1 4.02Å; V95-Y118 HydrophobicContact CG1-CE1 4.43Å; I96-Y118 HydrophobicContact CG2-CD1 4.25Å; I96-Y118 HydrophobicContact CG2-CE1 3.51Å; F114-Y118 HydrophobicContact CE1-CD2 4.42Å; F114-Y118 HydrophobicContact CE1-CG 4.28Å; F114-Y118 HydrophobicContact CZ-CD2 4.09Å; F114-Y118 HydrophobicContact CZ-CG 4.35Å; F114-Y118 VanDerWaalsContact O-CB 3.3Å; F114-Y118 WeakPolarHBondContact O-CB 3.42Å; F114-Y118 PolarHBondContact O-N 3.38Å; Y118-G122 VanDerWaalsContact O-CA 3.29Å; Y118-G122 WeakPolarHBondContact O-CA 3.32Å; Y118-G122 PolarHBondContact O-N 3.16Å
119G97.4Very high96.2Very high15 Ų1581.7 Ų81.716%0.15543%0.433CS..Hα-helixtrans-64.5-45.7172.900000112.7C115 V116 F117 F121 G122 V123C115-G119 PolarHBondContact O-N 2.88Å; V116-G119 PolarHBondContact O-N 3.12Å; F117-G119 PolarHBondContact O-N 3.33Å; G119-F121 VanDerWaalsContact C-N 3.34Å; G119-F121 PolarHBondContact O-N 3.16Å; G119-G122 PolarHBondContact O-N 3.47Å; G119-V123 WeakPolarHBondContact O-CB 3.29Å; G119-V123 WeakPolarHBondContact O-CG2 3.25Å; G119-V123 PolarHBondContact O-N 3.25Å
120L97.3Very high95.8Very high107 Ų10777 Ų7756%0.5640%0.402SS*.Hα-helixtrans-56.2-42.9-178.2-179.663.7000113.1V116 F117 P124V116-L120 WeakPolarHBondContact O-CB 3.42Å; V116-L120 PolarHBondContact O-N 3.38Å; F117-L120 PolarHBondContact O-N 2.94Å; L120-P124 WeakPolarHBondContact O-CD 3.2Å; L120-P124 WeakPolarHBondContact O-CG 3.49Å
121F96.9Very high95.3Very high150 Ų15075.2 Ų75.266%0.65839%0.385SS*.Hα-helixtrans-90.7-34.8177.9-61-63.4000113.1F117 G119 L125F117-F121 HydrophobicContact CD1-CE2 4.45Å; F117-F121 WeakPolarHBondContact O-CD2 3.48Å; F117-F121 PolarHBondContact O-N 2.85Å; F117-F121 VanDerWaalsContact O-N 3.16Å; G119-F121 VanDerWaalsContact C-N 3.34Å; G119-F121 PolarHBondContact O-N 3.16Å; F121-L125 WeakPolarHBondContact O-CB 3.19Å; F121-L125 PolarHBondContact O-N 3.39Å
122G97.3Very high94.9Very high11 Ų1177 Ų7711%0.11340%0.398CS..Hα-helixtrans-72.8-40.2-174.900000114Y118 G119 L125 C126Y118-G122 VanDerWaalsContact O-CA 3.29Å; Y118-G122 WeakPolarHBondContact O-CA 3.32Å; Y118-G122 PolarHBondContact O-N 3.16Å; G119-G122 PolarHBondContact O-N 3.47Å; G122-L125 PolarHBondContact O-N 3.03Å; G122-C126 WeakPolarHBondContact O-CB 3.1Å; G122-C126 PolarHBondContact O-N 3.45Å
123V96.4Very high94.3Very high30 Ų3072.6 Ų72.618%0.18239%0.385CS..Hα-helixtrans-64.4-50.2-179.1170.40000112.1T98 G119 L125 C126 L127T98-V123 HydrophobicContact CG2-CB 4.2Å; T98-V123 HydrophobicContact CG2-CG1 3.48Å; T98-V123 VanDerWaalsContact CG2-CG1 3.48Å; T98-V123 HydrophobicContact CG2-CG2 3.6Å; G119-V123 WeakPolarHBondContact O-CB 3.29Å; G119-V123 WeakPolarHBondContact O-CG2 3.25Å; G119-V123 PolarHBondContact O-N 3.25Å; V123-L125 VanDerWaalsContact C-N 3.31Å; V123-L125 PolarHBondContact O-N 3.05Å; V123-C126 PolarHBondContact O-N 2.86Å; V123-L127 HydrophobicContact CG1-CD1 3.97Å; V123-L127 HydrophobicContact CG1-CG 4.39Å; V123-L127 WeakPolarHBondContact O-CG 3.34Å; V123-L127 PolarHBondContact O-N 3.06Å
124P96.2Very high93.6Very high73 Ų7367.6 Ų67.647%0.47436%0.359SS..Hα-helixtrans-58.5-42175.2-2535.3000112.7L120 L127 T128L120-P124 WeakPolarHBondContact O-CD 3.2Å; L120-P124 WeakPolarHBondContact O-CG 3.49Å; P124-L127 PolarHBondContact O-N 3.09Å; P124-T128 WeakPolarHBondContact O-CG2 3.34Å; P124-T128 PolarHBondContact O-N 3.39Å
125L95.1Very high92.9Very high120 Ų12068.1 Ų68.163%0.62836%0.361SS*.Hα-helixtrans-61.2-48.6177.4-177.862.4000111.2F121 G122 V123 L127 T128 W129F121-L125 WeakPolarHBondContact O-CB 3.19Å; F121-L125 PolarHBondContact O-N 3.39Å; G122-L125 PolarHBondContact O-N 3.03Å; V123-L125 VanDerWaalsContact C-N 3.31Å; V123-L125 PolarHBondContact O-N 3.05Å; L125-L127 PolarHBondContact O-N 2.96Å; L125-T128 PolarHBondContact O-N 2.92Å; L125-T128 PolarHBondContact O-OG1 3.25Å; L125-W129 PolarHBondContact O-N 3.12Å
126C93.7Very high92.2Very high5 Ų572 Ų723%0.03437%0.374CS..Hα-helixtrans-59.5-44.2177.3-166.80000111.9I96 G122 V123 T128 W129 I130I96-C126 HydrophobicContact CB-CB 4.09Å; I96-C126 HydrophobicContact CD1-CB 4.41Å; I96-C126 HydrophobicContact CG1-CB 4.25Å; I96-C126 VanDerWaalsContact O-CB 3.24Å; I96-C126 WeakPolarHBondContact O-CB 3.24Å; G122-C126 WeakPolarHBondContact O-CB 3.1Å; G122-C126 PolarHBondContact O-N 3.45Å; V123-C126 PolarHBondContact O-N 2.86Å; C126-T128 VanDerWaalsContact C-N 3.34Å; C126-T128 PolarHBondContact O-N 3.35Å; C126-W129 PolarHBondContact O-N 2.93Å; C126-W129 VanDerWaalsContact O-N 3.15Å; C126-I130 WeakPolarHBondContact O-CB 3.18Å; C126-I130 WeakPolarHBondContact O-CG1 3.35Å; C126-I130 PolarHBondContact O-N 3.43Å; C126-I130 VanDerWaalsContact SG-CD1 3.59Å
127L90Very high91.2Very high100 Ų10070 Ų7052%0.52436%0.358SS..Hα-helixtrans-61.4-38.2176.5-70.4173000112.7V123 P124 L125 S131V123-L127 HydrophobicContact CG1-CD1 3.97Å; V123-L127 HydrophobicContact CG1-CG 4.39Å; V123-L127 WeakPolarHBondContact O-CG 3.34Å; V123-L127 PolarHBondContact O-N 3.06Å; P124-L127 PolarHBondContact O-N 3.09Å; L125-L127 PolarHBondContact O-N 2.96Å; L127-S131 VanDerWaalsContact O-CB 3.23Å; L127-S131 WeakPolarHBondContact O-CB 3.15Å; L127-S131 PolarHBondContact O-N 3.29Å
128T91.6Very high90.3Very high91 Ų9166 Ų6656%0.55835%0.347SS*.Hα-helixtrans-67-39.5173.964.50000112.4P124 L125 C126 S131 A132P124-T128 WeakPolarHBondContact O-CG2 3.34Å; P124-T128 PolarHBondContact O-N 3.39Å; L125-T128 PolarHBondContact O-N 2.92Å; L125-T128 PolarHBondContact O-OG1 3.25Å; C126-T128 VanDerWaalsContact C-N 3.34Å; C126-T128 PolarHBondContact O-N 3.35Å; T128-S131 PolarHBondContact O-N 3.37Å; T128-A132 PolarHBondContact O-N 3.1Å
129W92.3Very high89.5Confident111 Ų11164.1 Ų64.142%0.4235%0.352SS..Hα-helixtrans-66.1-47.9176.9175.966.5000112.2L125 C126 S131 A132 L133 Y232L125-W129 PolarHBondContact O-N 3.12Å; C126-W129 PolarHBondContact O-N 2.93Å; C126-W129 VanDerWaalsContact O-N 3.15Å; W129-S131 VanDerWaalsContact C-N 3.3Å; W129-S131 PolarHBondContact O-N 2.87Å; W129-A132 WeakPolarHBondContact O-CB 3.41Å; W129-A132 PolarHBondContact O-N 3.42Å; W129-A132 VanDerWaalsContact O-N 3.08Å; W129-L133 HydrophobicContact CD2-CD1 3.95Å; W129-L133 HydrophobicContact CE3-CD1 4.29Å; W129-L133 HydrophobicContact CH2-CD1 4.04Å; W129-L133 HydrophobicContact CZ2-CD1 3.67Å; W129-L133 HydrophobicContact CZ3-CD1 4.33Å; W129-L133 PolarHBondContact O-N 3.33Å; W129-Y232 HydrophobicContact CH2-CD1 4.02Å; W129-Y232 AromaticContact CH2-CD2 3.98Å; W129-Y232 HydrophobicContact CH2-CD2 3.98Å; W129-Y232 HydrophobicContact CH2-CE1 4.33Å; W129-Y232 HydrophobicContact CH2-CE2 4.31Å; W129-Y232 AromaticContact CH2-CG 3.84Å; W129-Y232 HydrophobicContact CH2-CG 3.84Å; W129-Y232 AromaticContact CZ3-CD1 3.72Å; W129-Y232 HydrophobicContact CZ3-CD1 3.72Å; W129-Y232 AromaticContact CZ3-CE1 3.96Å; W129-Y232 HydrophobicContact CZ3-CE1 3.96Å; W129-Y232 HydrophobicContact CZ3-CG 4.02Å
130I88.6Confident88.7Confident14 Ų1470.1 Ų70.17%0.07237%0.37CS..Hα-helixtrans-58.3-42174.1-70.1168.8000110.5C126 A132 L133 G134 L235C126-I130 WeakPolarHBondContact O-CB 3.18Å; C126-I130 WeakPolarHBondContact O-CG1 3.35Å; C126-I130 PolarHBondContact O-N 3.43Å; C126-I130 VanDerWaalsContact SG-CD1 3.59Å; I130-A132 PolarHBondContact O-N 2.98Å; I130-L133 PolarHBondContact O-N 3.12Å; I130-G134 PolarHBondContact O-N 2.97Å; I130-L235 HydrophobicContact CD1-CB 4.11Å; I130-L235 HydrophobicContact CD1-CD1 4.12Å; I130-L235 HydrophobicContact CG2-CB 4.41Å
131S86.1Confident87.7Confident35 Ų3566.3 Ų66.325%0.24535%0.354CS..Hα-helixtrans-63.7-37.2175.2-174.80000112.8L127 T128 W129 K135L127-S131 VanDerWaalsContact O-CB 3.23Å; L127-S131 WeakPolarHBondContact O-CB 3.15Å; L127-S131 PolarHBondContact O-N 3.29Å; T128-S131 PolarHBondContact O-N 3.37Å; W129-S131 VanDerWaalsContact C-N 3.3Å; W129-S131 PolarHBondContact O-N 2.87Å; S131-K135 WeakPolarHBondContact O-CG 3.37Å; S131-K135 PolarHBondContact O-N 2.54Å
132A88.3Confident86.8Confident57 Ų5766.2 Ų66.247%0.47135%0.353SS..Hα-helixtrans-68.8-44.5174.700000112.2T128 W129 I130 G134 K135 F136T128-A132 PolarHBondContact O-N 3.1Å; W129-A132 WeakPolarHBondContact O-CB 3.41Å; W129-A132 PolarHBondContact O-N 3.42Å; W129-A132 VanDerWaalsContact O-N 3.08Å; I130-A132 PolarHBondContact O-N 2.98Å; A132-G134 VanDerWaalsContact C-N 3.34Å; A132-G134 PolarHBondContact O-N 2.9Å; A132-K135 PolarHBondContact O-N 3.22Å; A132-F136 PolarHBondContact O-N 2.61Å
133L85.9Confident86Confident49 Ų4974 Ų7426%0.25738%0.379SS..Hα-helixtrans-58.9-45.3172.3-72.5176.6000111.4W129 I130 K135 F136 F137 A236W129-L133 HydrophobicContact CD2-CD1 3.95Å; W129-L133 HydrophobicContact CE3-CD1 4.29Å; W129-L133 HydrophobicContact CH2-CD1 4.04Å; W129-L133 HydrophobicContact CZ2-CD1 3.67Å; W129-L133 HydrophobicContact CZ3-CD1 4.33Å; W129-L133 PolarHBondContact O-N 3.33Å; I130-L133 PolarHBondContact O-N 3.12Å; L133-K135 PolarHBondContact O-N 2.76Å; L133-F136 WeakPolarHBondContact O-CB 3.4Å; L133-F136 PolarHBondContact O-N 3.28Å; L133-F136 VanDerWaalsContact O-N 3.13Å; L133-F137 WeakPolarHBondContact O-CD2 3.45Å; L133-F137 PolarHBondContact O-N 3.12Å; L133-A236 HydrophobicContact CB-CB 3.88Å
134G82.8Confident85.1Confident2 Ų276.9 Ų76.92%0.02139%0.393CS..Hα-helixtrans-54.6-52.3173.400000111.6I130 A132 F136 F137 G138 L240I130-G134 PolarHBondContact O-N 2.97Å; A132-G134 VanDerWaalsContact C-N 3.34Å; A132-G134 PolarHBondContact O-N 2.9Å; G134-F136 VanDerWaalsContact C-N 3.27Å; G134-F136 PolarHBondContact O-N 2.83Å; G134-F137 PolarHBondContact O-N 3.35Å; G134-G138 PolarHBondContact O-N 2.65Å; G134-L240 VanDerWaalsContact O-CD1 3.25Å; G134-L240 WeakPolarHBondContact O-CD1 3.29Å; G134-L240 VanDerWaalsContact O-CD2 3.25Å; G134-L240 WeakPolarHBondContact O-CD2 3.4Å; G134-L240 VanDerWaalsContact O-CG 3.3Å; G134-L240 WeakPolarHBondContact O-CG 3.45Å
135K82.6Confident84.2Confident148 Ų14873.9 Ų73.964%0.64338%0.376SS*.Hα-helixtrans-57.3-37.5176.2-72.5167.2-173.4168.70112.9S131 A132 L133 G138 G139S131-K135 WeakPolarHBondContact O-CG 3.37Å; S131-K135 PolarHBondContact O-N 2.54Å; A132-K135 PolarHBondContact O-N 3.22Å; L133-K135 PolarHBondContact O-N 2.76Å; K135-G138 PolarHBondContact O-N 3Å; K135-G139 PolarHBondContact O-N 2.68Å
136F83.1Confident83.6Confident110 Ų11073.5 Ų73.548%0.48237%0.371SS..Hα-helixtrans-62.4-50.3175.2173.8-93.4000112A132 L133 G134 G138 G139 R140A132-F136 PolarHBondContact O-N 2.61Å; L133-F136 WeakPolarHBondContact O-CB 3.4Å; L133-F136 PolarHBondContact O-N 3.28Å; L133-F136 VanDerWaalsContact O-N 3.13Å; G134-F136 VanDerWaalsContact C-N 3.27Å; G134-F136 PolarHBondContact O-N 2.83Å; F136-G138 VanDerWaalsContact C-N 3.34Å; F136-G138 PolarHBondContact O-N 3.3Å; F136-G139 PolarHBondContact O-N 2.78Å; F136-R140 PolarHBondContact O-N 2.86Å; F136-R140 VanDerWaalsContact O-N 3.11Å
137F78.6Confident83Confident55 Ų5578.3 Ų78.324%0.24139%0.391CS..Hα-helixtrans-61.5-40.7175.1-73.9-67.3000112.2L133 G134 G139 R140 A141 L233 A236 L240L133-F137 WeakPolarHBondContact O-CD2 3.45Å; L133-F137 PolarHBondContact O-N 3.12Å; G134-F137 PolarHBondContact O-N 3.35Å; F137-G139 VanDerWaalsContact C-N 3.3Å; F137-G139 PolarHBondContact O-N 2.97Å; F137-R140 WeakPolarHBondContact O-CB 3.17Å; F137-R140 PolarHBondContact O-N 3.24Å; F137-R140 VanDerWaalsContact O-N 3.12Å; F137-A141 PolarHBondContact O-N 3.12Å; F137-L233 HydrophobicContact CE2-CD2 4.05Å; F137-L233 HydrophobicContact CZ-CD2 3.58Å; F137-A236 HydrophobicContact CD2-CB 4.22Å; F137-A236 HydrophobicContact CE2-CB 4.17Å; F137-L240 HydrophobicContact CB-CD1 3.67Å
138G78.7Confident82.6Confident24 Ų2475.7 Ų75.725%0.24738%0.378CS..Hα-helixtrans-61-37.4174.700000112.7G134 K135 F136 A141 K142G134-G138 PolarHBondContact O-N 2.65Å; K135-G138 PolarHBondContact O-N 3Å; F136-G138 VanDerWaalsContact C-N 3.34Å; F136-G138 PolarHBondContact O-N 3.3Å; G138-A141 PolarHBondContact O-N 2.85Å; G138-K142 WeakPolarHBondContact O-CB 3.28Å; G138-K142 PolarHBondContact O-N 3.19Å
139G80.4Confident82.2Confident40 Ų4073.7 Ų73.741%0.41237%0.365SS..Hα-helixtrans-63.3-40.7172.300000113.1K135 F136 F137 K142 R143K135-G139 PolarHBondContact O-N 2.68Å; F136-G139 PolarHBondContact O-N 2.78Å; F137-G139 VanDerWaalsContact C-N 3.3Å; F137-G139 PolarHBondContact O-N 2.97Å; G139-K142 PolarHBondContact O-N 2.94Å; G139-R143 PolarHBondContact O-N 2.94Å
140R80.2Confident81.8Confident140 Ų14077.3 Ų77.353%0.52838%0.384SS..Hα-helixtrans-66-45.2174.3-60.4-60.9-179.5104.9-7111.5F136 F137 K142 R143 L144F136-R140 PolarHBondContact O-N 2.86Å; F136-R140 VanDerWaalsContact O-N 3.11Å; F137-R140 WeakPolarHBondContact O-CB 3.17Å; F137-R140 PolarHBondContact O-N 3.24Å; F137-R140 VanDerWaalsContact O-N 3.12Å; R140-K142 VanDerWaalsContact C-N 3.33Å; R140-K142 PolarHBondContact O-N 3.29Å; R140-R143 WeakPolarHBondContact O-CB 3.46Å; R140-R143 PolarHBondContact O-N 3.45Å; R140-L144 PolarHBondContact O-N 3.1Å
141A76.8Confident81.6Confident27 Ų2785.7 Ų85.722%0.22342%0.415CS..Hα-helixtrans-60.6-40.4175.400000112.3F137 G138 L144 G145 F166F137-A141 PolarHBondContact O-N 3.12Å; G138-A141 PolarHBondContact O-N 2.85Å; A141-L144 WeakPolarHBondContact O-CB 3.39Å; A141-L144 PolarHBondContact O-N 2.85Å; A141-G145 PolarHBondContact O-N 3.1Å; A141-F166 HydrophobicContact CB-CD2 4.41Å
142K77.9Confident81.4Confident148 Ų14887.4 Ų87.464%0.64344%0.438SS*.Hα-helixtrans-63.7-39.6174.5-172.2176-179.11800112.4G138 G139 R140 G145 Q146G138-K142 WeakPolarHBondContact O-CB 3.28Å; G138-K142 PolarHBondContact O-N 3.19Å; G139-K142 PolarHBondContact O-N 2.94Å; R140-K142 VanDerWaalsContact C-N 3.33Å; R140-K142 PolarHBondContact O-N 3.29Å; K142-G145 PolarHBondContact O-N 3.47Å; K142-Q146 WeakPolarHBondContact O-CG 3.46Å; K142-Q146 PolarHBondContact O-N 3.28Å
143R80.9Confident81Confident174 Ų17487.3 Ų87.366%0.65743%0.431SS*.Hα-helixtrans-63.3-40.1174.6-170.9-178.6-70.2-175.8-3.2111.5G139 R140 Q146 F147G139-R143 PolarHBondContact O-N 2.94Å; R140-R143 WeakPolarHBondContact O-CB 3.46Å; R140-R143 PolarHBondContact O-N 3.45Å; R143-Q146 PolarHBondContact O-N 3.39Å; R143-F147 PolarHBondContact O-N 3.41Å
144L77.2Confident80.9Confident91 Ų9188.2 Ų88.248%0.47644%0.441SS..Hα-helixtrans-63.6-40.9173.2-174.163.3000111.8R140 A141 Q146 F147 L148R140-L144 PolarHBondContact O-N 3.1Å; A141-L144 WeakPolarHBondContact O-CB 3.39Å; A141-L144 PolarHBondContact O-N 2.85Å; L144-Q146 PolarHBondContact O-N 2.92Å; L144-F147 WeakPolarHBondContact O-CB 3.32Å; L144-F147 PolarHBondContact O-N 3.43Å; L144-F147 VanDerWaalsContact O-N 3.17Å; L144-L148 PolarHBondContact O-N 2.94Å
145G78.2Confident80.6Confident10 Ų1093.6 Ų93.610%0.10347%0.469CS..Hα-helixtrans-64.2-36.6174.100000114A141 K142 L148 T149 C162A141-G145 PolarHBondContact O-N 3.1Å; K142-G145 PolarHBondContact O-N 3.47Å; G145-L148 PolarHBondContact O-N 3.35Å; G145-T149 WeakPolarHBondContact O-CB 3.03Å; G145-T149 PolarHBondContact O-N 3.02Å; G145-T149 PolarHBondContact O-OG1 2.91Å; G145-C162 WeakPolarHBondContact CA-SG 3.48Å
146Q81.5Confident80.4Confident113 Ų11396.3 Ų96.353%0.52848%0.475SS..Hα-helixtrans-64.5-39171.4-72.6174.2-28.700111.7K142 R143 L144 T149 K150K142-Q146 WeakPolarHBondContact O-CG 3.46Å; K142-Q146 PolarHBondContact O-N 3.28Å; R143-Q146 PolarHBondContact O-N 3.39Å; L144-Q146 PolarHBondContact O-N 2.92Å; Q146-T149 PolarHBondContact O-N 3.43Å; Q146-K150 WeakPolarHBondContact O-CG 3.16Å; Q146-K150 PolarHBondContact O-N 3.48Å
147F82.6Confident80.2Confident106 Ų10697.8 Ų97.847%0.46548%0.482SS..Hα-helixtrans-63.8-44174.4-179.1-95.4000112.4R143 L144 T149 K150 R151R143-F147 PolarHBondContact O-N 3.41Å; L144-F147 WeakPolarHBondContact O-CB 3.32Å; L144-F147 PolarHBondContact O-N 3.43Å; L144-F147 VanDerWaalsContact O-N 3.17Å; F147-T149 VanDerWaalsContact C-N 3.34Å; F147-T149 PolarHBondContact O-N 3.28Å; F147-K150 WeakPolarHBondContact O-CB 3.26Å; F147-K150 PolarHBondContact O-N 3.12Å; F147-R151 PolarHBondContact O-N 2.83Å
148L80.4Confident80.2Confident45 Ų4595.2 Ų95.224%0.23647%0.471CS..Hα-helixtrans-65.9-35174.4-68178.5000112.7L144 G145 R151L144-L148 PolarHBondContact O-N 2.94Å; G145-L148 PolarHBondContact O-N 3.35Å; L148-R151 PolarHBondContact O-N 3.37Å; L148-R151 VanDerWaalsContact O-N 3.15Å
149T82.6Confident80.2Confident48 Ų4899.5 Ų99.529%0.29448%0.484SS..Hα-helixtrans-64.9-39.3173.9-52.90000111.2G145 Q146 F147 R151 G152 L155 A158G145-T149 WeakPolarHBondContact O-CB 3.03Å; G145-T149 PolarHBondContact O-N 3.02Å; G145-T149 PolarHBondContact O-OG1 2.91Å; Q146-T149 PolarHBondContact O-N 3.43Å; F147-T149 VanDerWaalsContact C-N 3.34Å; F147-T149 PolarHBondContact O-N 3.28Å; T149-R151 PolarHBondContact O-N 3.45Å; T149-G152 PolarHBondContact O-N 3.39Å; T149-L155 HydrophobicContact CG2-CB 4.39Å; T149-A158 WeakPolarHBondContact OG1-CB 3.11Å
150K83.5Confident80.2Confident187 Ų187103 Ų10381%0.81349%0.492SS*.Hα-helixtrans-62.5-24.4173-75.6-178.6171.4-172.10113.4Q146 F147 G152Q146-K150 WeakPolarHBondContact O-CG 3.16Å; Q146-K150 PolarHBondContact O-N 3.48Å; F147-K150 WeakPolarHBondContact O-CB 3.26Å; F147-K150 PolarHBondContact O-N 3.12Å; K150-G152 PolarHBondContact O-N 3.16Å
151R84.4Confident80.4Confident191 Ų19199.4 Ų99.472%0.72149%0.486SS*.THydrogen-bonded Turntrans-8315172.4-79.2-173.9162.9-178.9-4.5114.2F147 L148 T149F147-R151 PolarHBondContact O-N 2.83Å; L148-R151 PolarHBondContact O-N 3.37Å; L148-R151 VanDerWaalsContact O-N 3.15Å; T149-R151 PolarHBondContact O-N 3.45Å
152G82.4Confident80.6Confident71 Ų7198.8 Ų98.873%0.73248%0.48SS*.THydrogen-bonded Turntrans91.12.8172.400000115.5T149 K150T149-G152 PolarHBondContact O-N 3.39Å; K150-G152 PolarHBondContact O-N 3.16Å
153V80.3Confident80.7Confident55 Ų5593.1 Ų93.133%0.33346%0.457SS..  trans-74.5131173.9-174.10000109.7K157 A158V153-K157 HydrophobicContact CG1-CB 3.91Å; V153-A158 HydrophobicContact CB-CB 4.18Å; V153-A158 HydrophobicContact CG1-CB 3.87Å
154S84.1Confident80.9Confident67 Ų6788.6 Ų88.647%0.46945%0.449SS..  trans-63.714018072.80000112R156 K157 A158S154-R156 VanDerWaalsContact C-N 3.28Å; S154-R156 PolarHBondContact O-N 3.17Å; S154-K157 WeakPolarHBondContact O-CA 3.22Å; S154-K157 WeakPolarHBondContact O-CB 3.19Å; S154-K157 PolarHBondContact O-N 3.32Å; S154-K157 WeakPolarHBondContact OG-CG 3.21Å; S154-A158 PolarHBondContact O-N 3.12Å
155L77.1Confident81.4Confident116 Ų11688.3 Ų88.361%0.60745%0.447SS*.Hα-helixtrans-53.2-37.9-166-172.4143.4000114.5T149 Q159T149-L155 HydrophobicContact CG2-CB 4.39Å; L155-Q159 WeakPolarHBondContact O-CB 3.48Å; L155-Q159 PolarHBondContact O-N 2.95Å
156R77Confident81.8Confident204 Ų20489.8 Ų89.877%0.7745%0.451SS*.Hα-helixtrans-69.7-41.3174.6-63.8-170.5-163.7163.89113.1S154 I160S154-R156 VanDerWaalsContact C-N 3.28Å; S154-R156 PolarHBondContact O-N 3.17Å; R156-I160 VanDerWaalsContact O-CG1 3.32Å; R156-I160 WeakPolarHBondContact O-CG1 3.03Å; R156-I160 PolarHBondContact O-N 2.97Å; R156-I160 VanDerWaalsContact O-N 3.12Å
157K79.9Confident82.1Confident142 Ų14286.5 Ų86.562%0.61744%0.437SS*.Hα-helixtrans-65.2-46.2176.4-70.9-175178.4-174.90109.7V153 S154 Q159 I160 T161V153-K157 HydrophobicContact CG1-CB 3.91Å; S154-K157 WeakPolarHBondContact O-CA 3.22Å; S154-K157 WeakPolarHBondContact O-CB 3.19Å; S154-K157 PolarHBondContact O-N 3.32Å; S154-K157 WeakPolarHBondContact OG-CG 3.21Å; K157-Q159 PolarHBondContact O-N 3.42Å; K157-I160 PolarHBondContact O-N 3.25Å; K157-T161 WeakPolarHBondContact O-CB 3.48Å; K157-T161 PolarHBondContact O-N 2.95Å; K157-T161 PolarHBondContact O-OG1 3.08Å
158A78.5Confident82.5Confident1 Ų185.2 Ų85.21%0.00844%0.437CS..Hα-helixtrans-57.8-45.9177.300000112.3T149 V153 S154 T161 C162T149-A158 WeakPolarHBondContact OG1-CB 3.11Å; V153-A158 HydrophobicContact CB-CB 4.18Å; V153-A158 HydrophobicContact CG1-CB 3.87Å; S154-A158 PolarHBondContact O-N 3.12Å; A158-T161 PolarHBondContact O-N 3.06Å; A158-C162 WeakPolarHBondContact O-CB 3.45Å; A158-C162 PolarHBondContact O-N 2.98Å; A158-C162 PolarHBondContact O-SG 3.48Å
159Q78.1Confident83Confident114 Ų11489 Ų8953%0.53345%0.448SS..Hα-helixtrans-61-48.7177.1-175.6176.7-14.100112.1L155 K157 C162 T163L155-Q159 WeakPolarHBondContact O-CB 3.48Å; L155-Q159 PolarHBondContact O-N 2.95Å; K157-Q159 PolarHBondContact O-N 3.42Å; Q159-C162 PolarHBondContact O-N 2.95Å; Q159-T163 PolarHBondContact O-N 3.15Å; Q159-T163 VanDerWaalsContact O-N 3.08Å; Q159-T163 PolarHBondContact O-OG1 3.15Å
160I80.6Confident83.5Confident113 Ų11386.7 Ų86.758%0.57943%0.434SS*.Hα-helixtrans-62.4-46.5178-66.4166.5000110.7R156 K157 C162 T163 V164R156-I160 VanDerWaalsContact O-CG1 3.32Å; R156-I160 WeakPolarHBondContact O-CG1 3.03Å; R156-I160 PolarHBondContact O-N 2.97Å; R156-I160 VanDerWaalsContact O-N 3.12Å; K157-I160 PolarHBondContact O-N 3.25Å; I160-C162 PolarHBondContact O-N 3.1Å; I160-T163 PolarHBondContact O-N 3.21Å; I160-T163 VanDerWaalsContact O-N 3.16Å; I160-V164 HydrophobicContact CG2-CG2 4.37Å; I160-V164 WeakPolarHBondContact O-CG2 3.38Å; I160-V164 PolarHBondContact O-N 3.42Å
161T83.6Confident84Confident64 Ų6480.2 Ų80.239%0.39341%0.41SS..Hα-helixtrans-59.7-44.3178.9-61.30000111.7K157 A158 T163 V164 I165K157-T161 WeakPolarHBondContact O-CB 3.48Å; K157-T161 PolarHBondContact O-N 2.95Å; K157-T161 PolarHBondContact O-OG1 3.08Å; A158-T161 PolarHBondContact O-N 3.06Å; T161-T163 VanDerWaalsContact C-N 3.34Å; T161-T163 PolarHBondContact O-N 2.67Å; T161-V164 PolarHBondContact O-N 3.47Å; T161-I165 HydrophobicContact CG2-CD1 3.79Å; T161-I165 HydrophobicContact CG2-CG1 4.45Å; T161-I165 WeakPolarHBondContact O-CB 3.49Å; T161-I165 VanDerWaalsContact O-CG1 3.26Å; T161-I165 WeakPolarHBondContact O-CG1 3.47Å; T161-I165 PolarHBondContact O-N 2.98Å
162C81.6Confident84.5Confident14 Ų1474.8 Ų74.810%0.09540%0.395CS..Hα-helixtrans-61.8-40.1174.6-77.70000113G145 A158 Q159 I160 I165 F166G145-C162 WeakPolarHBondContact CA-SG 3.48Å; A158-C162 WeakPolarHBondContact O-CB 3.45Å; A158-C162 PolarHBondContact O-N 2.98Å; A158-C162 PolarHBondContact O-SG 3.48Å; Q159-C162 PolarHBondContact O-N 2.95Å; I160-C162 PolarHBondContact O-N 3.1Å; C162-I165 PolarHBondContact O-N 3.36Å; C162-F166 VanDerWaalsContact O-CB 3.31Å; C162-F166 WeakPolarHBondContact O-CB 3.31Å; C162-F166 PolarHBondContact O-N 3.18Å
163T80.5Confident85.1Confident29 Ų2973.5 Ų73.518%0.17837%0.373CS..Hα-helixtrans-67.4-41.7177-590000112Q159 I160 T161 F166 I167 W244Q159-T163 PolarHBondContact O-N 3.15Å; Q159-T163 VanDerWaalsContact O-N 3.08Å; Q159-T163 PolarHBondContact O-OG1 3.15Å; I160-T163 PolarHBondContact O-N 3.21Å; I160-T163 VanDerWaalsContact O-N 3.16Å; T161-T163 VanDerWaalsContact C-N 3.34Å; T161-T163 PolarHBondContact O-N 2.67Å; T163-F166 PolarHBondContact O-N 3.42Å; T163-I167 HydrophobicContact CG2-CD1 3.84Å; T163-I167 HydrophobicContact CG2-CG1 4.39Å; T163-I167 WeakPolarHBondContact O-CG1 3.42Å; T163-I167 PolarHBondContact O-N 2.96Å; T163-W244 HydrophobicContact CG2-CD2 3.83Å; T163-W244 HydrophobicContact CG2-CE3 4.12Å; T163-W244 HydrophobicContact CG2-CG 4.47Å; T163-W244 HydrophobicContact CG2-CH2 3.85Å; T163-W244 HydrophobicContact CG2-CZ2 3.56Å; T163-W244 HydrophobicContact CG2-CZ3 4.13Å
164V85.7Confident85.9Confident80 Ų8071 Ų7149%0.48536%0.357SS..Hα-helixtrans-61.1-47.3174.6172.60000110.7I160 T161 F166 I167 V168I160-V164 HydrophobicContact CG2-CG2 4.37Å; I160-V164 WeakPolarHBondContact O-CG2 3.38Å; I160-V164 PolarHBondContact O-N 3.42Å; T161-V164 PolarHBondContact O-N 3.47Å; V164-F166 VanDerWaalsContact C-N 3.3Å; V164-F166 PolarHBondContact O-N 3.07Å; V164-I167 PolarHBondContact O-N 3.34Å; V164-V168 HydrophobicContact CG1-CG2 4.29Å; V164-V168 WeakPolarHBondContact O-CB 3.48Å; V164-V168 VanDerWaalsContact O-CG2 3.31Å; V164-V168 WeakPolarHBondContact O-CG2 3.47Å; V164-V168 PolarHBondContact O-N 2.8Å
165I87.3Confident86.4Confident85 Ų8569.5 Ų69.544%0.43634%0.344SS..Hα-helixtrans-57.8-43.3175.7-69.7167.1000111T161 C162 W169T161-I165 HydrophobicContact CG2-CD1 3.79Å; T161-I165 HydrophobicContact CG2-CG1 4.45Å; T161-I165 WeakPolarHBondContact O-CB 3.49Å; T161-I165 VanDerWaalsContact O-CG1 3.26Å; T161-I165 WeakPolarHBondContact O-CG1 3.47Å; T161-I165 PolarHBondContact O-N 2.98Å; C162-I165 PolarHBondContact O-N 3.36Å; I165-W169 WeakPolarHBondContact O-CB 3.27Å; I165-W169 PolarHBondContact O-N 3.46Å
166F85.8Confident87.4Confident41 Ų4166.3 Ų66.318%0.1833%0.329CS..Hα-helixtrans-68-36.7-179.8-175.6-97.7000113.4A141 C162 T163 V164 W169 G170 W237 L240A141-F166 HydrophobicContact CB-CD2 4.41Å; C162-F166 VanDerWaalsContact O-CB 3.31Å; C162-F166 WeakPolarHBondContact O-CB 3.31Å; C162-F166 PolarHBondContact O-N 3.18Å; T163-F166 PolarHBondContact O-N 3.42Å; V164-F166 VanDerWaalsContact C-N 3.3Å; V164-F166 PolarHBondContact O-N 3.07Å; F166-W169 HydrophobicContact CE2-CE3 4.43Å; F166-W169 HydrophobicContact CE2-CZ3 4.41Å; F166-G170 PolarHBondContact O-N 2.81Å; F166-G170 VanDerWaalsContact O-N 3.09Å; F166-W237 AromaticContact CD1-NE1 3.87Å; F166-W237 AromaticContact CE1-CD1 3.31Å; F166-W237 HydrophobicContact CE1-CG 4.34Å; F166-W237 AromaticContact CE1-NE1 3.53Å; F166-W237 AromaticContact CZ-CD1 3.37Å; F166-W237 HydrophobicContact CZ-CG 4.35Å; F166-W237 PolarHBondContact O-NE1 3.46Å; F166-L240 HydrophobicContact CE1-CB 4.07Å; F166-L240 HydrophobicContact CE1-CD1 3.78Å; F166-L240 HydrophobicContact CE2-CD1 4.26Å; F166-L240 HydrophobicContact CZ-CB 4.4Å; F166-L240 HydrophobicContact CZ-CD1 3.36Å
167I87.8Confident88.3Confident44 Ų4460.8 Ų60.823%0.22631%0.314CS..Hα-helixtrans-68.8-49.6174.7-68.3168000110T163 V164 W169 G170 V171 F241 W244T163-I167 HydrophobicContact CG2-CD1 3.84Å; T163-I167 HydrophobicContact CG2-CG1 4.39Å; T163-I167 WeakPolarHBondContact O-CG1 3.42Å; T163-I167 PolarHBondContact O-N 2.96Å; V164-I167 PolarHBondContact O-N 3.34Å; I167-W169 PolarHBondContact O-N 3.34Å; I167-G170 PolarHBondContact O-N 3.03Å; I167-V171 HydrophobicContact CG2-CG2 4.43Å; I167-V171 WeakPolarHBondContact O-CG2 3.4Å; I167-V171 PolarHBondContact O-N 3.43Å; I167-F241 HydrophobicContact CD1-CD2 4.37Å; I167-F241 HydrophobicContact CD1-CE2 4.33Å; I167-F241 HydrophobicContact CG1-CD2 4.34Å; I167-W244 HydrophobicContact CD1-CE3 4.12Å; I167-W244 HydrophobicContact CD1-CH2 4.23Å; I167-W244 HydrophobicContact CD1-CZ3 3.65Å
168V91.4Very high89.2Confident78 Ų7854.4 Ų54.447%0.47329%0.287SS..Hα-helixtrans-60.3-45.3178.9171.70000111V164 G170 V171 L172V164-V168 HydrophobicContact CG1-CG2 4.29Å; V164-V168 WeakPolarHBondContact O-CB 3.48Å; V164-V168 VanDerWaalsContact O-CG2 3.31Å; V164-V168 WeakPolarHBondContact O-CG2 3.47Å; V164-V168 PolarHBondContact O-N 2.8Å; V168-G170 PolarHBondContact O-N 2.87Å; V168-V171 PolarHBondContact O-N 3.23Å; V168-L172 HydrophobicContact CG1-CD1 4.02Å; V168-L172 HydrophobicContact CG1-CG 4.49Å; V168-L172 WeakPolarHBondContact O-CB 3.42Å; V168-L172 VanDerWaalsContact O-CG 3.31Å; V168-L172 WeakPolarHBondContact O-CG 3.38Å; V168-L172 PolarHBondContact O-N 3.17Å
169W91.4Very high90.1Very high125 Ų12554.3 Ų54.347%0.47329%0.287SS..Hα-helixtrans-58.3-46.3175.7174.780.5000112.1I165 F166 I167 L172 V173I165-W169 WeakPolarHBondContact O-CB 3.27Å; I165-W169 PolarHBondContact O-N 3.46Å; F166-W169 HydrophobicContact CE2-CE3 4.43Å; F166-W169 HydrophobicContact CE2-CZ3 4.41Å; I167-W169 PolarHBondContact O-N 3.34Å; W169-L172 PolarHBondContact O-N 3.46Å; W169-V173 HydrophobicContact CD2-CG2 4.3Å; W169-V173 HydrophobicContact CZ2-CG1 4.49Å; W169-V173 HydrophobicContact CZ2-CG2 4.06Å; W169-V173 WeakPolarHBondContact O-CB 3.44Å; W169-V173 WeakPolarHBondContact O-CG2 3.43Å; W169-V173 PolarHBondContact O-N 3.32Å
170G91.8Very high91Very high0 Ų054.4 Ų54.40%029%0.286CS..Hα-helixtrans-69.7-37-179.700000113.9F166 I167 V168 L172 V173 H174F166-G170 PolarHBondContact O-N 2.81Å; F166-G170 VanDerWaalsContact O-N 3.09Å; I167-G170 PolarHBondContact O-N 3.03Å; V168-G170 PolarHBondContact O-N 2.87Å; G170-L172 VanDerWaalsContact C-N 3.34Å; G170-V173 PolarHBondContact O-N 2.85Å; G170-H174 WeakPolarHBondContact O-CB 3.43Å; G170-H174 PolarHBondContact O-N 3.41Å; G170-H174 PolarHBondContact O-ND1 2.94Å
171V93.9Very high91.7Very high51 Ų5152.4 Ų52.431%0.30928%0.278SS..Hα-helixtrans-62.3-42.9171.7169.70000110.5I167 V168 L175 V176 W237I167-V171 HydrophobicContact CG2-CG2 4.43Å; I167-V171 WeakPolarHBondContact O-CG2 3.4Å; I167-V171 PolarHBondContact O-N 3.43Å; V168-V171 PolarHBondContact O-N 3.23Å; V171-L175 WeakPolarHBondContact O-CA 3.48Å; V171-L175 WeakPolarHBondContact O-CB 3.46Å; V171-L175 PolarHBondContact O-N 2.91Å; V171-V176 HydrophobicContact CG1-CG2 4.18Å; V171-V176 PolarHBondContact O-N 3.24Å; V171-V176 VanDerWaalsContact O-N 3.12Å; V171-W237 HydrophobicContact CG2-CH2 4.15Å; V171-W237 HydrophobicContact CG2-CZ2 4.28Å
172L96Very high92.3Very high76 Ų7649.6 Ų49.640%0.39826%0.261SS..Iπ-helixtrans-62-51.1175.7-72.1171.8000111.7V168 W169 G170 V176 I177V168-L172 HydrophobicContact CG1-CD1 4.02Å; V168-L172 HydrophobicContact CG1-CG 4.49Å; V168-L172 WeakPolarHBondContact O-CB 3.42Å; V168-L172 VanDerWaalsContact O-CG 3.31Å; V168-L172 WeakPolarHBondContact O-CG 3.38Å; V168-L172 PolarHBondContact O-N 3.17Å; W169-L172 PolarHBondContact O-N 3.46Å; G170-L172 VanDerWaalsContact C-N 3.34Å; L172-V176 HydrophobicContact CD2-CB 4.07Å; L172-V176 HydrophobicContact CD2-CG1 4.21Å; L172-V176 HydrophobicContact CD2-CG2 4.21Å; L172-V176 PolarHBondContact O-N 2.92Å; L172-I177 HydrophobicContact CB-CD1 4.33Å; L172-I177 WeakPolarHBondContact O-CB 3.11Å; L172-I177 VanDerWaalsContact O-CG1 3.3Å; L172-I177 WeakPolarHBondContact O-CG1 3.3Å; L172-I177 PolarHBondContact O-N 2.96Å
173V95.6Very high93Very high44 Ų4452.9 Ų52.927%0.26728%0.275SS..Iπ-helixtrans-72.4-29-174.1171.90000113.8W169 G170 P178 W230W169-V173 HydrophobicContact CD2-CG2 4.3Å; W169-V173 HydrophobicContact CZ2-CG1 4.49Å; W169-V173 HydrophobicContact CZ2-CG2 4.06Å; W169-V173 WeakPolarHBondContact O-CB 3.44Å; W169-V173 WeakPolarHBondContact O-CG2 3.43Å; W169-V173 PolarHBondContact O-N 3.32Å; G170-V173 PolarHBondContact O-N 2.85Å; V173-P178 VanDerWaalsContact O-CD 3.31Å; V173-P178 WeakPolarHBondContact O-CD 3.38Å; V173-P178 WeakPolarHBondContact O-CG 3.16Å; V173-W230 PolarHBondContact O-NE1 2.91Å
174H95.6Very high93.6Very high2 Ų257.5 Ų57.51%0.00930%0.304CS..Iπ-helixtrans-110.6-14-175-52.196.6000114.9G170 I201 W230 G234G170-H174 WeakPolarHBondContact O-CB 3.43Å; G170-H174 PolarHBondContact O-N 3.41Å; G170-H174 PolarHBondContact O-ND1 2.94Å; H174-I201 HydrophobicContact CB-CD1 4.06Å; H174-I201 HydrophobicContact CB-CG1 4.28Å; H174-W230 AromaticContact CD2-CD1 3.88Å; H174-W230 AromaticContact CD2-NE1 3.69Å; H174-G234 WeakPolarHBondContact CD2-CA 3.31Å; H174-G234 WeakPolarHBondContact NE2-CA 3.31Å; H174-G234 PolarHBondContact NE2-N 3.45Å
175L96.1Very high93.9Very high37 Ų3756.1 Ų56.119%0.19430%0.295CS..Iπ-helixtrans-126.6-37.7179.8-60174.8000114V171 P179 L194 F198V171-L175 WeakPolarHBondContact O-CA 3.48Å; V171-L175 WeakPolarHBondContact O-CB 3.46Å; V171-L175 PolarHBondContact O-N 2.91Å; L175-P179 WeakPolarHBondContact O-CD 3.35Å; L175-P179 WeakPolarHBondContact O-CG 3.39Å; L175-L194 HydrophobicContact CB-CD1 4.26Å; L175-L194 VanDerWaalsContact O-CD1 3.24Å; L175-L194 WeakPolarHBondContact O-CD1 3.31Å; L175-F198 HydrophobicContact CD2-CB 4.17Å
176V96.9Very high94.2Very high49 Ų4953.1 Ų53.130%0.29728%0.28SS..Iπ-helixtrans-93.1-38.6-173.2-175.30000113.3V171 L172 F180 Y190V171-V176 HydrophobicContact CG1-CG2 4.18Å; V171-V176 PolarHBondContact O-N 3.24Å; V171-V176 VanDerWaalsContact O-N 3.12Å; L172-V176 HydrophobicContact CD2-CB 4.07Å; L172-V176 HydrophobicContact CD2-CG1 4.21Å; L172-V176 HydrophobicContact CD2-CG2 4.21Å; L172-V176 PolarHBondContact O-N 2.92Å; V176-F180 VanDerWaalsContact O-CD2 3.25Å; V176-F180 WeakPolarHBondContact O-CD2 3.17Å; V176-F180 VanDerWaalsContact O-CE2 3.29Å; V176-F180 WeakPolarHBondContact O-CE2 3.26Å; V176-Y190 PolarHBondContact O-OH 2.91Å
177I97Very high94.6Very high87 Ų8754.2 Ų54.245%0.44630%0.302SS..SBendtrans-81.1-45.2-178.8-65168.6000112.8L172 F180L172-I177 HydrophobicContact CB-CD1 4.33Å; L172-I177 WeakPolarHBondContact O-CB 3.11Å; L172-I177 VanDerWaalsContact O-CG1 3.3Å; L172-I177 WeakPolarHBondContact O-CG1 3.3Å; L172-I177 PolarHBondContact O-N 2.96Å; I177-F180 PolarHBondContact O-N 3.35Å; I177-F180 VanDerWaalsContact O-N 3.12Å
178P97.1Very high95Very high8 Ų853.9 Ų53.95%0.05230%0.298CS..Hα-helixtrans-55.7-37.3-176.7-26.135.9000115.6V173 F180 V181 F182 W230V173-P178 VanDerWaalsContact O-CD 3.31Å; V173-P178 WeakPolarHBondContact O-CD 3.38Å; V173-P178 WeakPolarHBondContact O-CG 3.16Å; P178-F180 VanDerWaalsContact C-N 3.27Å; P178-F180 PolarHBondContact O-N 2.73Å; P178-V181 WeakPolarHBondContact O-CA 3.34Å; P178-V181 WeakPolarHBondContact O-CB 3.33Å; P178-V181 PolarHBondContact O-N 3.42Å; P178-F182 HydrophobicContact CB-CD2 4.23Å; P178-F182 HydrophobicContact CB-CE2 3.62Å; P178-F182 HydrophobicContact CB-CZ 4.34Å; P178-F182 WeakPolarHBondContact O-CD2 3.28Å; P178-F182 PolarHBondContact O-N 2.87Å; P178-W230 HydrophobicContact CB-CH2 4.46Å; P178-W230 HydrophobicContact CB-CZ2 3.75Å; P178-W230 HydrophobicContact CG-CZ2 3.67Å
179P97.6Very high95.3Very high0 Ų053.7 Ų53.70%029%0.294CS..Hα-helixtrans-56.6-38.7176.4-2635.1000113.3L175 V181 F182 M183 Y190 L194L175-P179 WeakPolarHBondContact O-CD 3.35Å; L175-P179 WeakPolarHBondContact O-CG 3.39Å; P179-V181 VanDerWaalsContact C-N 3.27Å; P179-V181 PolarHBondContact O-N 3.16Å; P179-F182 PolarHBondContact O-N 2.92Å; P179-M183 VanDerWaalsContact O-CG 3.27Å; P179-M183 WeakPolarHBondContact O-CG 3.46Å; P179-M183 PolarHBondContact O-N 3.31Å; P179-Y190 HydrophobicContact CB-CD2 3.67Å; P179-Y190 HydrophobicContact CB-CE2 3.61Å; P179-Y190 HydrophobicContact CB-CG 4.29Å; P179-Y190 HydrophobicContact CG-CE2 4.17Å; P179-L194 HydrophobicContact CG-CB 3.96Å
180F97.4Very high95.6Very high116 Ų11651 Ų5151%0.50929%0.285SS..Hα-helixtrans-66.2-29.3175.1-62.9-69.2000112.9V176 I177 P178 M183 V184 Y190V176-F180 VanDerWaalsContact O-CD2 3.25Å; V176-F180 WeakPolarHBondContact O-CD2 3.17Å; V176-F180 VanDerWaalsContact O-CE2 3.29Å; V176-F180 WeakPolarHBondContact O-CE2 3.26Å; I177-F180 PolarHBondContact O-N 3.35Å; I177-F180 VanDerWaalsContact O-N 3.12Å; P178-F180 VanDerWaalsContact C-N 3.27Å; P178-F180 PolarHBondContact O-N 2.73Å; F180-M183 HydrophobicContact CD1-SD 4.16Å; F180-V184 WeakPolarHBondContact O-CG2 3.48Å; F180-Y190 HydrophobicContact CD1-CD2 4.01Å; F180-Y190 HydrophobicContact CD1-CE2 4.12Å; F180-Y190 AromaticContact CD2-CE2 3.95Å; F180-Y190 HydrophobicContact CD2-CE2 3.95Å; F180-Y190 AromaticContact CE1-CD2 3.74Å; F180-Y190 HydrophobicContact CE1-CD2 3.74Å; F180-Y190 AromaticContact CE1-CE2 3.72Å; F180-Y190 HydrophobicContact CE1-CE2 3.72Å; F180-Y190 HydrophobicContact CE2-CD2 4.37Å; F180-Y190 AromaticContact CE2-CE2 3.54Å; F180-Y190 HydrophobicContact CE2-CE2 3.54Å; F180-Y190 HydrophobicContact CG-CD2 4.44Å; F180-Y190 HydrophobicContact CG-CE2 4.23Å; F180-Y190 AromaticContact CZ-CD2 3.94Å; F180-Y190 HydrophobicContact CZ-CD2 3.94Å; F180-Y190 AromaticContact CZ-CE2 3.42Å; F180-Y190 HydrophobicContact CZ-CE2 3.42Å; F180-Y190 VanDerWaalsContact CZ-CE2 3.42Å
181V95.8Very high95.9Very high70 Ų7057 Ų5742%0.42432%0.316SS..Hα-helixtrans-70.1-49173.2-176.20000109.4P178 P179 M183 V184 T185P178-V181 WeakPolarHBondContact O-CA 3.34Å; P178-V181 WeakPolarHBondContact O-CB 3.33Å; P178-V181 PolarHBondContact O-N 3.42Å; P179-V181 VanDerWaalsContact C-N 3.27Å; P179-V181 PolarHBondContact O-N 3.16Å; V181-M183 VanDerWaalsContact C-N 3.31Å; V181-M183 PolarHBondContact O-N 2.75Å; V181-V184 PolarHBondContact O-N 3.25Å; V181-T185 HydrophobicContact CG1-CG2 4.25Å; V181-T185 PolarHBondContact O-N 3.05Å; V181-T185 PolarHBondContact O-OG1 2.98Å; V181-T185 VanDerWaalsContact O-OG1 3.1Å
182F96Very high96Very high6 Ų657.5 Ų57.53%0.02632%0.315CS..Hα-helixtrans-64.2-32.3179.2-58.5-52.2000113.1P178 P179 V184 T185 E186 G187 W188 Y196 A211 V227 W230P178-F182 HydrophobicContact CB-CD2 4.23Å; P178-F182 HydrophobicContact CB-CE2 3.62Å; P178-F182 HydrophobicContact CB-CZ 4.34Å; P178-F182 WeakPolarHBondContact O-CD2 3.28Å; P178-F182 PolarHBondContact O-N 2.87Å; P179-F182 PolarHBondContact O-N 2.92Å; F182-V184 PolarHBondContact O-N 3.36Å; F182-T185 PolarHBondContact O-N 3.26Å; F182-E186 HydrophobicContact CB-CG 4.22Å; F182-E186 HydrophobicContact CD1-CG 4.01Å; F182-E186 WeakPolarHBondContact O-CA 3.3Å; F182-E186 WeakPolarHBondContact O-CB 3.45Å; F182-E186 PolarHBondContact O-N 3.24Å; F182-G187 PolarHBondContact O-N 3.3Å; F182-W188 HydrophobicContact CB-CD2 4.49Å; F182-W188 HydrophobicContact CB-CE3 3.67Å; F182-W188 HydrophobicContact CB-CZ3 4.09Å; F182-W188 HydrophobicContact CD1-CZ3 4.24Å; F182-W188 HydrophobicContact CD2-CZ3 4.37Å; F182-W188 HydrophobicContact CG-CE3 4.09Å; F182-W188 AromaticContact CG-CZ3 3.98Å; F182-W188 HydrophobicContact CG-CZ3 3.98Å; F182-Y196 HydrophobicContact CD2-CD1 4.03Å; F182-Y196 HydrophobicContact CD2-CE1 4.47Å; F182-Y196 HydrophobicContact CE1-CE1 4.11Å; F182-Y196 AromaticContact CE2-CD1 3.63Å; F182-Y196 HydrophobicContact CE2-CD1 3.63Å; F182-Y196 AromaticContact CE2-CE1 3.76Å; F182-Y196 HydrophobicContact CE2-CE1 3.76Å; F182-Y196 AromaticContact CZ-CD1 3.94Å; F182-Y196 HydrophobicContact CZ-CD1 3.94Å; F182-Y196 AromaticContact CZ-CE1 3.56Å; F182-Y196 HydrophobicContact CZ-CE1 3.56Å; F182-A211 HydrophobicContact CD1-CB 4.25Å; F182-A211 HydrophobicContact CE1-CB 3.77Å; F182-V227 HydrophobicContact CE1-CG2 4.46Å; F182-W230 HydrophobicContact CE2-CH2 4.1Å; F182-W230 HydrophobicContact CE2-CZ3 4.42Å; F182-W230 HydrophobicContact CZ-CE3 4.45Å; F182-W230 HydrophobicContact CZ-CH2 4.07Å; F182-W230 AromaticContact CZ-CZ3 3.93Å; F182-W230 HydrophobicContact CZ-CZ3 3.93Å
183M95.8Very high96.1Very high82 Ų8253.9 Ų53.940%0.40430%0.296SS..Hα-helixtrans-57.7-34.2169.8-73.5176.374.400112.9P179 F180 V181 W188 Y190P179-M183 VanDerWaalsContact O-CG 3.27Å; P179-M183 WeakPolarHBondContact O-CG 3.46Å; P179-M183 PolarHBondContact O-N 3.31Å; F180-M183 HydrophobicContact CD1-SD 4.16Å; V181-M183 VanDerWaalsContact C-N 3.31Å; V181-M183 PolarHBondContact O-N 2.75Å; M183-W188 WeakPolarHBondContact CA-O 3.41Å; M183-W188 VanDerWaalsContact CG-O 3.27Å; M183-W188 WeakPolarHBondContact CG-O 3.43Å; M183-Y190 HydrophobicContact SD-CD2 4.04Å; M183-Y190 HydrophobicContact SD-CG 4.43Å
184V93.2Very high96.2Very high127 Ų12754.9 Ų54.977%0.7730%0.299SS*.Hα-helixtrans-88.2-35-179.7177.60000112.2F180 V181 F182F180-V184 WeakPolarHBondContact O-CG2 3.48Å; V181-V184 PolarHBondContact O-N 3.25Å; F182-V184 PolarHBondContact O-N 3.36Å
185T93.2Very high96.3Very high51 Ų5158.6 Ų58.631%0.31331%0.314SS..Hα-helixtrans-96.9-31.6-173.557.20000114.9V181 F182 Y223V181-T185 HydrophobicContact CG1-CG2 4.25Å; V181-T185 PolarHBondContact O-N 3.05Å; V181-T185 PolarHBondContact O-OG1 2.98Å; V181-T185 VanDerWaalsContact O-OG1 3.1Å; F182-T185 PolarHBondContact O-N 3.26Å; T185-Y223 HydrophobicContact CG2-CE2 3.99Å; T185-Y223 PolarHBondContact OG1-OH 2.8Å
186E93.1Very high96.4Very high22 Ų2257.1 Ų57.110%0.10331%0.305CS..THydrogen-bonded Turntrans-108.2-17.4-178.1-54.2-64.4166.300112.9F182 W188 A211 G212 Y219 Y223F182-E186 HydrophobicContact CB-CG 4.22Å; F182-E186 HydrophobicContact CD1-CG 4.01Å; F182-E186 WeakPolarHBondContact O-CA 3.3Å; F182-E186 WeakPolarHBondContact O-CB 3.45Å; F182-E186 PolarHBondContact O-N 3.24Å; E186-W188 VanDerWaalsContact C-N 3.25Å; E186-W188 HydrophobicContact CB-CD2 3.57Å; E186-W188 VanDerWaalsContact CB-CE2 3.48Å; E186-W188 HydrophobicContact CB-CE3 4.17Å; E186-W188 HydrophobicContact CB-CG 3.75Å; E186-W188 HydrophobicContact CB-CZ2 4Å; E186-W188 HydrophobicContact CG-CD2 4.02Å; E186-W188 HydrophobicContact CG-CE3 4.17Å; E186-W188 HydrophobicContact CG-CH2 4.02Å; E186-W188 HydrophobicContact CG-CZ2 3.86Å; E186-W188 HydrophobicContact CG-CZ3 4.17Å; E186-W188 PolarHBondContact O-N 3.08Å; E186-A211 WeakPolarHBondContact OE1-CA 3.15Å; E186-G212 PolarHBondContact OE1-N 2.89Å; E186-Y219 WeakPolarHBondContact OE2-CE1 3.42Å; E186-Y219 PolarHBondContact OE2-OH 3.5Å; E186-Y223 WeakPolarHBondContact OE1-CE1 3.41Å; E186-Y223 VanDerWaalsContact OE1-CZ 3.29Å; E186-Y223 PolarHBondContact OE1-OH 3.38Å
187G93.8Very high96.5Very high64 Ų6454.8 Ų54.866%0.6629%0.291SS*.  trans76.19.4-174.900000114.5F182F182-G187 PolarHBondContact O-N 3.3Å
188W96.2Very high96.5Very high37 Ų3755.8 Ų55.814%0.1429%0.293CS..  trans-67159.9175.6-59-17.8000111.9F182 M183 E186 E192 Y196 F209 A211F182-W188 HydrophobicContact CB-CD2 4.49Å; F182-W188 HydrophobicContact CB-CE3 3.67Å; F182-W188 HydrophobicContact CB-CZ3 4.09Å; F182-W188 HydrophobicContact CD1-CZ3 4.24Å; F182-W188 HydrophobicContact CD2-CZ3 4.37Å; F182-W188 HydrophobicContact CG-CE3 4.09Å; F182-W188 AromaticContact CG-CZ3 3.98Å; F182-W188 HydrophobicContact CG-CZ3 3.98Å; M183-W188 WeakPolarHBondContact CA-O 3.41Å; M183-W188 VanDerWaalsContact CG-O 3.27Å; M183-W188 WeakPolarHBondContact CG-O 3.43Å; E186-W188 VanDerWaalsContact C-N 3.25Å; E186-W188 HydrophobicContact CB-CD2 3.57Å; E186-W188 VanDerWaalsContact CB-CE2 3.48Å; E186-W188 HydrophobicContact CB-CE3 4.17Å; E186-W188 HydrophobicContact CB-CG 3.75Å; E186-W188 HydrophobicContact CB-CZ2 4Å; E186-W188 HydrophobicContact CG-CD2 4.02Å; E186-W188 HydrophobicContact CG-CE3 4.17Å; E186-W188 HydrophobicContact CG-CH2 4.02Å; E186-W188 HydrophobicContact CG-CZ2 3.86Å; E186-W188 HydrophobicContact CG-CZ3 4.17Å; E186-W188 PolarHBondContact O-N 3.08Å; W188-E192 VanDerWaalsContact CA-OE2 3.31Å; W188-E192 WeakPolarHBondContact CA-OE2 3.46Å; W188-E192 HydrophobicContact CB-CB 4.02Å; W188-E192 WeakPolarHBondContact CB-OE2 3.5Å; W188-Y196 HydrophobicContact CH2-CD1 4.2Å; W188-Y196 HydrophobicContact CH2-CD2 4.25Å; W188-Y196 HydrophobicContact CH2-CG 4.06Å; W188-Y196 AromaticContact CZ3-CD1 3.61Å; W188-Y196 HydrophobicContact CZ3-CD1 3.61Å; W188-Y196 HydrophobicContact CZ3-CD2 4.28Å; W188-Y196 HydrophobicContact CZ3-CE1 4.24Å; W188-Y196 AromaticContact CZ3-CG 3.63Å; W188-Y196 HydrophobicContact CZ3-CG 3.63Å; W188-F209 AromaticContact CD2-CD1 3.92Å; W188-F209 HydrophobicContact CD2-CD1 3.92Å; W188-F209 HydrophobicContact CD2-CE1 4.43Å; W188-F209 AromaticContact CE2-CD1 3.62Å; W188-F209 HydrophobicContact CE3-CD1 4.41Å; W188-F209 HydrophobicContact CG-CD1 4.34Å; W188-F209 HydrophobicContact CG-CE1 4.39Å; W188-F209 HydrophobicContact CH2-CB 4.03Å; W188-F209 HydrophobicContact CH2-CD1 4.4Å; W188-F209 HydrophobicContact CZ2-CB 4.16Å; W188-F209 AromaticContact CZ2-CD1 3.91Å; W188-F209 HydrophobicContact CZ2-CD1 3.91Å; W188-F209 HydrophobicContact CZ3-CB 4.46Å; W188-F209 AromaticContact NE1-CD1 3.82Å; W188-A211 HydrophobicContact CH2-CB 4.15Å
189N97.3Very high96.5Very high73 Ų7355.8 Ų55.839%0.3929%0.292SS..  trans-80.4167.81687858000111.6I191 E192 G193N189-I191 VanDerWaalsContact C-N 3.29Å; N189-I191 PolarHBondContact O-N 2.74Å; N189-I191 WeakPolarHBondContact OD1-CA 3.38Å; N189-I191 WeakPolarHBondContact OD1-CB 3.43Å; N189-I191 PolarHBondContact OD1-N 2.83Å; N189-E192 PolarHBondContact N-OE2 3.43Å; N189-E192 WeakPolarHBondContact ND2-CG 3.39Å; N189-E192 PolarHBondContact ND2-OE1 3.37Å; N189-E192 PolarHBondContact ND2-OE2 2.71Å; N189-E192 PolarHBondContact O-N 3.17Å; N189-E192 PolarHBondContact OD1-N 3.43Å; N189-G193 PolarHBondContact O-N 2.85Å
190Y97.7Very high96.4Very high70 Ų7055.8 Ų55.828%0.27529%0.292SS..Hα-helixtrans-61.9-34.3-176.7-175.2-91.7000113.4V176 P179 F180 M183 L194V176-Y190 PolarHBondContact O-OH 2.91Å; P179-Y190 HydrophobicContact CB-CD2 3.67Å; P179-Y190 HydrophobicContact CB-CE2 3.61Å; P179-Y190 HydrophobicContact CB-CG 4.29Å; P179-Y190 HydrophobicContact CG-CE2 4.17Å; F180-Y190 HydrophobicContact CD1-CD2 4.01Å; F180-Y190 HydrophobicContact CD1-CE2 4.12Å; F180-Y190 AromaticContact CD2-CE2 3.95Å; F180-Y190 HydrophobicContact CD2-CE2 3.95Å; F180-Y190 AromaticContact CE1-CD2 3.74Å; F180-Y190 HydrophobicContact CE1-CD2 3.74Å; F180-Y190 AromaticContact CE1-CE2 3.72Å; F180-Y190 HydrophobicContact CE1-CE2 3.72Å; F180-Y190 HydrophobicContact CE2-CD2 4.37Å; F180-Y190 AromaticContact CE2-CE2 3.54Å; F180-Y190 HydrophobicContact CE2-CE2 3.54Å; F180-Y190 HydrophobicContact CG-CD2 4.44Å; F180-Y190 HydrophobicContact CG-CE2 4.23Å; F180-Y190 AromaticContact CZ-CD2 3.94Å; F180-Y190 HydrophobicContact CZ-CD2 3.94Å; F180-Y190 AromaticContact CZ-CE2 3.42Å; F180-Y190 HydrophobicContact CZ-CE2 3.42Å; F180-Y190 VanDerWaalsContact CZ-CE2 3.42Å; M183-Y190 HydrophobicContact SD-CD2 4.04Å; M183-Y190 HydrophobicContact SD-CG 4.43Å; Y190-L194 HydrophobicContact CE1-CB 4.45Å; Y190-L194 HydrophobicContact CE1-CD2 4.24Å; Y190-L194 VanDerWaalsContact O-CB 3.28Å; Y190-L194 WeakPolarHBondContact O-CB 3.36Å; Y190-L194 PolarHBondContact O-N 3.08Å
191I97.8Very high96.4Very high126 Ų12650.6 Ų50.665%0.64627%0.27SS*.Hα-helixtrans-73.1-43.2-178.3-58179.7000109.9N189 L194 Y195N189-I191 VanDerWaalsContact C-N 3.29Å; N189-I191 PolarHBondContact O-N 2.74Å; N189-I191 WeakPolarHBondContact OD1-CA 3.38Å; N189-I191 WeakPolarHBondContact OD1-CB 3.43Å; N189-I191 PolarHBondContact OD1-N 2.83Å; I191-L194 PolarHBondContact O-N 3.39Å; I191-Y195 VanDerWaalsContact O-CB 3.24Å; I191-Y195 WeakPolarHBondContact O-CB 3.41Å; I191-Y195 PolarHBondContact O-N 2.88Å
192E97.4Very high96.3Very high61 Ų6148.8 Ų48.829%0.28526%0.26SS..Hα-helixtrans-58.1-48172-70.5163.5179.600111.3W188 N189 L194 Y195 Y196 F209W188-E192 VanDerWaalsContact CA-OE2 3.31Å; W188-E192 WeakPolarHBondContact CA-OE2 3.46Å; W188-E192 HydrophobicContact CB-CB 4.02Å; W188-E192 WeakPolarHBondContact CB-OE2 3.5Å; N189-E192 PolarHBondContact N-OE2 3.43Å; N189-E192 WeakPolarHBondContact ND2-CG 3.39Å; N189-E192 PolarHBondContact ND2-OE1 3.37Å; N189-E192 PolarHBondContact ND2-OE2 2.71Å; N189-E192 PolarHBondContact O-N 3.17Å; N189-E192 PolarHBondContact OD1-N 3.43Å; E192-L194 VanDerWaalsContact C-N 3.33Å; E192-L194 PolarHBondContact O-N 3.24Å; E192-Y195 PolarHBondContact O-N 3.05Å; E192-Y196 WeakPolarHBondContact O-CB 3.22Å; E192-Y196 PolarHBondContact O-N 3.3Å; E192-F209 HydrophobicContact CB-CE1 4.04Å; E192-F209 HydrophobicContact CB-CZ 4.08Å; E192-F209 HydrophobicContact CG-CE1 3.98Å; E192-F209 HydrophobicContact CG-CE2 4.41Å; E192-F209 HydrophobicContact CG-CZ 3.65Å
193G97.4Very high96.3Very high0 Ų050.9 Ų50.90%027%0.273CS..Hα-helixtrans-61.7-38176.200000113.3N189 S197N189-G193 PolarHBondContact O-N 2.85Å; G193-S197 VanDerWaalsContact O-CB 3.28Å; G193-S197 WeakPolarHBondContact O-CB 3.25Å; G193-S197 PolarHBondContact O-N 2.83Å; G193-S197 PolarHBondContact O-OG 2.8Å
194L98.2Very high96.3Very high65 Ų6550.7 Ų50.734%0.3427%0.273SS..Hα-helixtrans-70.4-42.7176.517663000111.8L175 P179 Y190 I191 E192 S197 F198L175-L194 HydrophobicContact CB-CD1 4.26Å; L175-L194 VanDerWaalsContact O-CD1 3.24Å; L175-L194 WeakPolarHBondContact O-CD1 3.31Å; P179-L194 HydrophobicContact CG-CB 3.96Å; Y190-L194 HydrophobicContact CE1-CB 4.45Å; Y190-L194 HydrophobicContact CE1-CD2 4.24Å; Y190-L194 VanDerWaalsContact O-CB 3.28Å; Y190-L194 WeakPolarHBondContact O-CB 3.36Å; Y190-L194 PolarHBondContact O-N 3.08Å; I191-L194 PolarHBondContact O-N 3.39Å; E192-L194 VanDerWaalsContact C-N 3.33Å; E192-L194 PolarHBondContact O-N 3.24Å; L194-S197 PolarHBondContact O-N 3.37Å; L194-F198 WeakPolarHBondContact O-CB 3.42Å; L194-F198 PolarHBondContact O-N 3.13Å
195Y97.9Very high96.4Very high80 Ų8044.9 Ų44.931%0.31424%0.239SC..Hα-helixtrans-59.1-54.9174.3166.9-98.3000110.6I191 E192 S197 F198 I199 F206 D208 F209I191-Y195 VanDerWaalsContact O-CB 3.24Å; I191-Y195 WeakPolarHBondContact O-CB 3.41Å; I191-Y195 PolarHBondContact O-N 2.88Å; E192-Y195 PolarHBondContact O-N 3.05Å; Y195-S197 VanDerWaalsContact C-N 3.29Å; Y195-S197 PolarHBondContact O-N 2.91Å; Y195-F198 PolarHBondContact O-N 3.5Å; Y195-F198 VanDerWaalsContact O-N 3.12Å; Y195-I199 HydrophobicContact CD1-CG1 4.49Å; Y195-I199 HydrophobicContact CD2-CG1 3.93Å; Y195-I199 HydrophobicContact CE1-CG1 4.28Å; Y195-I199 HydrophobicContact CE2-CD1 4.1Å; Y195-I199 HydrophobicContact CE2-CG1 3.69Å; Y195-I199 HydrophobicContact CG-CG1 4.34Å; Y195-I199 WeakPolarHBondContact O-CB 3.47Å; Y195-I199 VanDerWaalsContact O-CG1 3.3Å; Y195-I199 WeakPolarHBondContact O-CG1 3.42Å; Y195-I199 PolarHBondContact O-N 3.45Å; Y195-F206 WeakPolarHBondContact OH-CD2 3.46Å; Y195-D208 WeakPolarHBondContact CE1-OD2 3.38Å; Y195-D208 VanDerWaalsContact CZ-OD2 3.29Å; Y195-D208 PolarHBondContact OH-OD2 2.82Å; Y195-F209 HydrophobicContact CD1-CD2 4Å; Y195-F209 HydrophobicContact CD1-CE2 4.38Å; Y195-F209 AromaticContact CE1-CD2 3.87Å; Y195-F209 HydrophobicContact CE1-CD2 3.87Å; Y195-F209 HydrophobicContact CE1-CE2 4.32Å
196Y97.8Very high96.5Very high5 Ų548.5 Ų48.52%0.0225%0.251CS..Hα-helixtrans-53.4-46.5175.1170.7-104.9000111.9Y101 F182 W188 E192 F198 I199 T200 F209 A211 W230Y101-Y196 AromaticContact CE1-CE2 4Å; Y101-Y196 HydrophobicContact CE1-CE2 4Å; Y101-Y196 PolarHBondContact OH-OH 3.17Å; F182-Y196 HydrophobicContact CD2-CD1 4.03Å; F182-Y196 HydrophobicContact CD2-CE1 4.47Å; F182-Y196 HydrophobicContact CE1-CE1 4.11Å; F182-Y196 AromaticContact CE2-CD1 3.63Å; F182-Y196 HydrophobicContact CE2-CD1 3.63Å; F182-Y196 AromaticContact CE2-CE1 3.76Å; F182-Y196 HydrophobicContact CE2-CE1 3.76Å; F182-Y196 AromaticContact CZ-CD1 3.94Å; F182-Y196 HydrophobicContact CZ-CD1 3.94Å; F182-Y196 AromaticContact CZ-CE1 3.56Å; F182-Y196 HydrophobicContact CZ-CE1 3.56Å; W188-Y196 HydrophobicContact CH2-CD1 4.2Å; W188-Y196 HydrophobicContact CH2-CD2 4.25Å; W188-Y196 HydrophobicContact CH2-CG 4.06Å; W188-Y196 AromaticContact CZ3-CD1 3.61Å; W188-Y196 HydrophobicContact CZ3-CD1 3.61Å; W188-Y196 HydrophobicContact CZ3-CD2 4.28Å; W188-Y196 HydrophobicContact CZ3-CE1 4.24Å; W188-Y196 AromaticContact CZ3-CG 3.63Å; W188-Y196 HydrophobicContact CZ3-CG 3.63Å; E192-Y196 WeakPolarHBondContact O-CB 3.22Å; E192-Y196 PolarHBondContact O-N 3.3Å; Y196-F198 PolarHBondContact O-N 3.28Å; Y196-I199 PolarHBondContact O-N 2.84Å; Y196-T200 WeakPolarHBondContact CE2-OG1 3.4Å; Y196-T200 VanDerWaalsContact O-CB 3.22Å; Y196-T200 WeakPolarHBondContact O-CB 3.32Å; Y196-T200 PolarHBondContact O-N 3.19Å; Y196-T200 PolarHBondContact O-OG1 3.41Å; Y196-F209 HydrophobicContact CD2-CB 3.9Å; Y196-F209 WeakPolarHBondContact CD2-O 3.37Å; Y196-F209 VanDerWaalsContact CE2-O 3.31Å; Y196-F209 WeakPolarHBondContact CE2-O 3.27Å; Y196-F209 HydrophobicContact CG-CB 4.34Å; Y196-A211 HydrophobicContact CE1-CB 3.96Å; Y196-W230 HydrophobicContact CE1-CH2 4.27Å; Y196-W230 HydrophobicContact CE1-CZ3 4.09Å
197S97.8Very high96.5Very high0 Ų048.2 Ų48.20%025%0.253CS..Hα-helixtrans-61.1-43.6179.1-60.40000112G193 L194 Y195 I201G193-S197 VanDerWaalsContact O-CB 3.28Å; G193-S197 WeakPolarHBondContact O-CB 3.25Å; G193-S197 PolarHBondContact O-N 2.83Å; G193-S197 PolarHBondContact O-OG 2.8Å; L194-S197 PolarHBondContact O-N 3.37Å; Y195-S197 VanDerWaalsContact C-N 3.29Å; Y195-S197 PolarHBondContact O-N 2.91Å; S197-I201 VanDerWaalsContact O-CB 3.26Å; S197-I201 WeakPolarHBondContact O-CB 3.41Å; S197-I201 WeakPolarHBondContact O-CG1 3.43Å; S197-I201 PolarHBondContact O-N 3.46Å; S197-I201 VanDerWaalsContact O-N 3.12Å
198F97.3Very high96.4Very high108 Ų10849.3 Ų49.347%0.47424%0.244SC..Hα-helixtrans-64.6-54.6175.8175.2-102.2000111.8L175 L194 Y195 Y196 T200 I201 S202 I204L175-F198 HydrophobicContact CD2-CB 4.17Å; L194-F198 WeakPolarHBondContact O-CB 3.42Å; L194-F198 PolarHBondContact O-N 3.13Å; Y195-F198 PolarHBondContact O-N 3.5Å; Y195-F198 VanDerWaalsContact O-N 3.12Å; Y196-F198 PolarHBondContact O-N 3.28Å; F198-T200 VanDerWaalsContact C-N 3.28Å; F198-T200 PolarHBondContact O-N 3.41Å; F198-I201 PolarHBondContact O-N 3.32Å; F198-S202 WeakPolarHBondContact O-CB 3.43Å; F198-S202 PolarHBondContact O-N 3.17Å; F198-S202 PolarHBondContact O-OG 3.48Å; F198-I204 HydrophobicContact CE1-CD1 4.31Å
199I97.3Very high96.4Very high9 Ų950 Ų505%0.04625%0.248CC..Hα-helixtrans-58.6-37.6-176.4-68.4-57.6000112.5Y195 Y196 S202 I204 G205 F206Y195-I199 HydrophobicContact CD1-CG1 4.49Å; Y195-I199 HydrophobicContact CD2-CG1 3.93Å; Y195-I199 HydrophobicContact CE1-CG1 4.28Å; Y195-I199 HydrophobicContact CE2-CD1 4.1Å; Y195-I199 HydrophobicContact CE2-CG1 3.69Å; Y195-I199 HydrophobicContact CG-CG1 4.34Å; Y195-I199 WeakPolarHBondContact O-CB 3.47Å; Y195-I199 VanDerWaalsContact O-CG1 3.3Å; Y195-I199 WeakPolarHBondContact O-CG1 3.42Å; Y195-I199 PolarHBondContact O-N 3.45Å; Y196-I199 PolarHBondContact O-N 2.84Å; I199-S202 PolarHBondContact O-OG 3.42Å; I199-I204 HydrophobicContact CD1-CB 4.18Å; I199-I204 HydrophobicContact CD1-CD1 3.99Å; I199-I204 HydrophobicContact CD1-CG2 4.05Å; I199-I204 HydrophobicContact CG2-CB 4.15Å; I199-I204 HydrophobicContact CG2-CG2 4.26Å; I199-I204 PolarHBondContact O-N 3.16Å; I199-G205 PolarHBondContact O-N 3.34Å; I199-G205 VanDerWaalsContact O-N 3.16Å; I199-F206 HydrophobicContact CD1-CD2 3.73Å; I199-F206 HydrophobicContact CD1-CE2 3.5Å; I199-F206 HydrophobicContact CG1-CD2 4.06Å; I199-F206 HydrophobicContact CG1-CE2 4.32Å; I199-F206 HydrophobicContact CG2-CB 4.45Å; I199-F206 HydrophobicContact CG2-CD2 3.9Å; I199-F206 HydrophobicContact CG2-CG 4.41Å
200T96.9Very high96.1Very high0 Ų047.5 Ų47.50%024%0.236CC..Hα-helixtrans-71-51.9176.2-61.50000111.6I99 Y101 Y196 F198 S202 T203 W230 I231I99-T200 HydrophobicContact CD1-CG2 4.31Å; Y101-T200 WeakPolarHBondContact OH-CG2 3.22Å; Y101-T200 PolarHBondContact OH-OG1 3.05Å; Y196-T200 WeakPolarHBondContact CE2-OG1 3.4Å; Y196-T200 VanDerWaalsContact O-CB 3.22Å; Y196-T200 WeakPolarHBondContact O-CB 3.32Å; Y196-T200 PolarHBondContact O-N 3.19Å; Y196-T200 PolarHBondContact O-OG1 3.41Å; F198-T200 VanDerWaalsContact C-N 3.28Å; F198-T200 PolarHBondContact O-N 3.41Å; T200-S202 VanDerWaalsContact C-N 3.3Å; T200-S202 PolarHBondContact O-N 3.48Å; T200-T203 PolarHBondContact O-N 3.01Å; T200-T203 VanDerWaalsContact O-N 3.1Å; T200-W230 HydrophobicContact CG2-CZ3 4.42Å; T200-I231 HydrophobicContact CG2-CD1 3.64Å; T200-I231 HydrophobicContact CG2-CG1 3.66Å; T200-I231 HydrophobicContact CG2-CG2 4.37Å
201I95.5Very high95.9Very high7 Ų744.6 Ų44.64%0.03623%0.226CC..Hα-helixtrans-68.2-31.3-175.6-63.3-75.7000111.3H174 S197 F198 T203 W230 L238H174-I201 HydrophobicContact CB-CD1 4.06Å; H174-I201 HydrophobicContact CB-CG1 4.28Å; S197-I201 VanDerWaalsContact O-CB 3.26Å; S197-I201 WeakPolarHBondContact O-CB 3.41Å; S197-I201 WeakPolarHBondContact O-CG1 3.43Å; S197-I201 PolarHBondContact O-N 3.46Å; S197-I201 VanDerWaalsContact O-N 3.12Å; F198-I201 PolarHBondContact O-N 3.32Å; I201-T203 VanDerWaalsContact C-N 3.25Å; I201-T203 PolarHBondContact O-N 3.35Å; I201-W230 HydrophobicContact CD1-CH2 4.48Å; I201-W230 HydrophobicContact CD1-CZ2 4.12Å; I201-W230 HydrophobicContact CG1-CH2 4.42Å; I201-W230 HydrophobicContact CG1-CZ2 4.2Å; I201-L238 WeakPolarHBondContact O-CD2 3.25Å
202S94.7Very high95.5Very high32 Ų3238.6 Ų38.622%0.22420%0.195CC..THydrogen-bonded Turntrans-82.55.9175.171.60000114.4F198 I199 T200 I204F198-S202 WeakPolarHBondContact O-CB 3.43Å; F198-S202 PolarHBondContact O-N 3.17Å; F198-S202 PolarHBondContact O-OG 3.48Å; I199-S202 PolarHBondContact O-OG 3.42Å; T200-S202 VanDerWaalsContact C-N 3.3Å; T200-S202 PolarHBondContact O-N 3.48Å; S202-I204 VanDerWaalsContact C-N 3.28Å; S202-I204 PolarHBondContact O-N 3.2Å; S202-I204 VanDerWaalsContact OG-CD1 3.29Å; S202-I204 WeakPolarHBondContact OG-CD1 3.38Å; S202-I204 WeakPolarHBondContact OG-CG1 3.35Å
203T95.5Very high94.9Very high49 Ų4937.7 Ų37.730%0.30119%0.194SC..THydrogen-bonded Turntrans49.145.2-176.169.50000113.2I99 T200 I201 L235I99-T203 HydrophobicContact CG1-CG2 3.97Å; T200-T203 PolarHBondContact O-N 3.01Å; T200-T203 VanDerWaalsContact O-N 3.1Å; I201-T203 VanDerWaalsContact C-N 3.25Å; I201-T203 PolarHBondContact O-N 3.35Å; T203-L235 HydrophobicContact CG2-CD2 3.42Å; T203-L235 VanDerWaalsContact CG2-CD2 3.42Å
204I96.8Very high94.2Very high78 Ų7840.9 Ų40.940%0.421%0.211SC..  trans-93-45.3170.9-68.1171000110F198 I199 S202 F206F198-I204 HydrophobicContact CE1-CD1 4.31Å; I199-I204 HydrophobicContact CD1-CB 4.18Å; I199-I204 HydrophobicContact CD1-CD1 3.99Å; I199-I204 HydrophobicContact CD1-CG2 4.05Å; I199-I204 HydrophobicContact CG2-CB 4.15Å; I199-I204 HydrophobicContact CG2-CG2 4.26Å; I199-I204 PolarHBondContact O-N 3.16Å; S202-I204 VanDerWaalsContact C-N 3.28Å; S202-I204 PolarHBondContact O-N 3.2Å; S202-I204 VanDerWaalsContact OG-CD1 3.29Å; S202-I204 WeakPolarHBondContact OG-CD1 3.38Å; S202-I204 WeakPolarHBondContact OG-CG1 3.35Å; I204-F206 HydrophobicContact CG2-CD1 4.07Å; I204-F206 HydrophobicContact CG2-CD2 3.95Å; I204-F206 HydrophobicContact CG2-CE1 3.76Å; I204-F206 HydrophobicContact CG2-CE2 3.66Å; I204-F206 HydrophobicContact CG2-CG 4.16Å; I204-F206 HydrophobicContact CG2-CZ 3.56Å
205G95.9Very high93.3Very high6 Ų640.6 Ų40.66%0.06221%0.213CC..  trans52.461.7170.500000115.9I99 Y101 I199 G207I99-G205 WeakPolarHBondContact O-CA 3.41Å; Y101-G205 VanDerWaalsContact CA-O 3.29Å; Y101-G205 WeakPolarHBondContact CA-O 3.29Å; I199-G205 PolarHBondContact O-N 3.34Å; I199-G205 VanDerWaalsContact O-N 3.16Å; G205-G207 VanDerWaalsContact C-N 3.3Å; G205-G207 PolarHBondContact O-N 3.37Å
206F94.7Very high92.4Very high127 Ų12741.5 Ų41.556%0.55723%0.231SC*.  trans-64.6-29.7176.5-67.7-56.3000114.3Y195 I199 I204 D208Y195-F206 WeakPolarHBondContact OH-CD2 3.46Å; I199-F206 HydrophobicContact CD1-CD2 3.73Å; I199-F206 HydrophobicContact CD1-CE2 3.5Å; I199-F206 HydrophobicContact CG1-CD2 4.06Å; I199-F206 HydrophobicContact CG1-CE2 4.32Å; I199-F206 HydrophobicContact CG2-CB 4.45Å; I199-F206 HydrophobicContact CG2-CD2 3.9Å; I199-F206 HydrophobicContact CG2-CG 4.41Å; I204-F206 HydrophobicContact CG2-CD1 4.07Å; I204-F206 HydrophobicContact CG2-CD2 3.95Å; I204-F206 HydrophobicContact CG2-CE1 3.76Å; I204-F206 HydrophobicContact CG2-CE2 3.66Å; I204-F206 HydrophobicContact CG2-CG 4.16Å; I204-F206 HydrophobicContact CG2-CZ 3.56Å; F206-D208 VanDerWaalsContact C-N 3.26Å; F206-D208 PolarHBondContact O-N 3.06Å
207G92.5Very high91.7Very high15 Ų1542.8 Ų42.816%0.15524%0.243CC..SBendtrans75.86.3175.300000116.4Y101 G205 F209Y101-G207 VanDerWaalsContact O-CA 3.23Å; Y101-G207 WeakPolarHBondContact O-CA 3.35Å; G205-G207 VanDerWaalsContact C-N 3.3Å; G205-G207 PolarHBondContact O-N 3.37Å; G207-F209 VanDerWaalsContact C-N 3.31Å
208D92.4Very high91.1Very high88 Ų8851.1 Ų51.147%0.47129%0.287SS..SBendtrans-57.4-43.5161.849.5-1.1000111.8Y195 F206Y195-D208 WeakPolarHBondContact CE1-OD2 3.38Å; Y195-D208 VanDerWaalsContact CZ-OD2 3.29Å; Y195-D208 PolarHBondContact OH-OD2 2.82Å; F206-D208 VanDerWaalsContact C-N 3.26Å; F206-D208 PolarHBondContact O-N 3.06Å
209F94.8Very high90.6Very high51 Ų5148.3 Ų48.322%0.22427%0.274CS..SBendtrans-114.6126.9169.9-67-88.8000110.3W188 E192 Y195 Y196 G207W188-F209 AromaticContact CD2-CD1 3.92Å; W188-F209 HydrophobicContact CD2-CD1 3.92Å; W188-F209 HydrophobicContact CD2-CE1 4.43Å; W188-F209 AromaticContact CE2-CD1 3.62Å; W188-F209 HydrophobicContact CE3-CD1 4.41Å; W188-F209 HydrophobicContact CG-CD1 4.34Å; W188-F209 HydrophobicContact CG-CE1 4.39Å; W188-F209 HydrophobicContact CH2-CB 4.03Å; W188-F209 HydrophobicContact CH2-CD1 4.4Å; W188-F209 HydrophobicContact CZ2-CB 4.16Å; W188-F209 AromaticContact CZ2-CD1 3.91Å; W188-F209 HydrophobicContact CZ2-CD1 3.91Å; W188-F209 HydrophobicContact CZ3-CB 4.46Å; W188-F209 AromaticContact NE1-CD1 3.82Å; E192-F209 HydrophobicContact CB-CE1 4.04Å; E192-F209 HydrophobicContact CB-CZ 4.08Å; E192-F209 HydrophobicContact CG-CE1 3.98Å; E192-F209 HydrophobicContact CG-CE2 4.41Å; E192-F209 HydrophobicContact CG-CZ 3.65Å; Y195-F209 HydrophobicContact CD1-CD2 4Å; Y195-F209 HydrophobicContact CD1-CE2 4.38Å; Y195-F209 AromaticContact CE1-CD2 3.87Å; Y195-F209 HydrophobicContact CE1-CD2 3.87Å; Y195-F209 HydrophobicContact CE1-CE2 4.32Å; Y196-F209 HydrophobicContact CD2-CB 3.9Å; Y196-F209 WeakPolarHBondContact CD2-O 3.37Å; Y196-F209 VanDerWaalsContact CE2-O 3.31Å; Y196-F209 WeakPolarHBondContact CE2-O 3.27Å; Y196-F209 HydrophobicContact CG-CB 4.34Å; G207-F209 VanDerWaalsContact C-N 3.31Å
210V92.8Very high90.1Very high20 Ų2055 Ų5512%0.12130%0.304CS..  trans-138121.7173.3-177.90000108.4Y101 N103 V213Y101-V210 HydrophobicContact CD1-CG2 4.02Å; Y101-V210 HydrophobicContact CD2-CG1 4.31Å; Y101-V210 HydrophobicContact CD2-CG2 4.29Å; Y101-V210 HydrophobicContact CE1-CG2 4.49Å; Y101-V210 HydrophobicContact CE2-CG1 4.32Å; Y101-V210 HydrophobicContact CG-CG2 3.91Å; N103-V210 HydrophobicContact CB-CG2 4.4Å; V210-V213 HydrophobicContact CB-CG2 3.88Å; V210-V213 HydrophobicContact CG1-CG1 3.84Å; V210-V213 HydrophobicContact CG1-CG2 4.08Å
211A93.1Very high89.3Confident9 Ų959.2 Ų59.27%0.07434%0.339CS..THydrogen-bonded Turntrans-69137.5-178.500000111.4F182 E186 W188 Y196 V227F182-A211 HydrophobicContact CD1-CB 4.25Å; F182-A211 HydrophobicContact CE1-CB 3.77Å; E186-A211 WeakPolarHBondContact OE1-CA 3.15Å; W188-A211 HydrophobicContact CH2-CB 4.15Å; Y196-A211 HydrophobicContact CE1-CB 3.96Å; A211-V227 HydrophobicContact CB-CG1 4.14Å; A211-V227 HydrophobicContact CB-CG2 4.29Å
212G88Confident88.9Confident0 Ų063.2 Ų63.20%036%0.36CS..THydrogen-bonded Turntrans84.62.1170.300000116.4E186 Y219 R224E186-G212 PolarHBondContact OE1-N 2.89Å; G212-Y219 VanDerWaalsContact C-CZ 3.49Å; G212-Y219 WeakPolarHBondContact O-CD2 3.37Å; G212-Y219 WeakPolarHBondContact O-CE2 3.26Å; G212-R224 PolarHBondContact O-NE 3.31Å; G212-R224 PolarHBondContact O-NH2 2.88Å
213V84.9Confident88.8Confident42 Ų4262.9 Ų62.926%0.25536%0.355SS..  trans-101.7-0.5-174.2-57.40000115.3F80 V210 P215F80-V213 HydrophobicContact CE1-CB 4Å; F80-V213 HydrophobicContact CE1-CG1 4.2Å; V210-V213 HydrophobicContact CB-CG2 3.88Å; V210-V213 HydrophobicContact CG1-CG1 3.84Å; V210-V213 HydrophobicContact CG1-CG2 4.08Å; V213-P215 WeakPolarHBondContact O-CD 3.41Å
214N84.3Confident88.4Confident68 Ų6863.1 Ų63.136%0.36435%0.35SS..  trans-67.2121.6-178.6-173.1-12000111.8S216 A217 Y219N214-S216 PolarHBondContact ND2-OG 3.44Å; N214-S216 PolarHBondContact O-N 2.95Å; N214-S216 PolarHBondContact OD1-N 2.71Å; N214-S216 PolarHBondContact OD1-OG 2.93Å; N214-A217 HydrophobicContact CB-CB 4Å; N214-A217 PolarHBondContact O-N 3Å; N214-Y219 HydrophobicContact CB-CE2 4.2Å; N214-Y219 WeakPolarHBondContact CB-OH 3.16Å; N214-Y219 PolarHBondContact N-OH 3.43Å; N214-Y219 WeakPolarHBondContact O-CE2 3.47Å
215P78.8Confident88Confident58 Ų5864.5 Ų64.538%0.37735%0.351SS..THydrogen-bonded Turntrans-64.1-26178.1-12.823.5000113.9F80 V213F80-P215 HydrophobicContact CB-CB 4.25Å; F80-P215 HydrophobicContact CB-CG 3.88Å; V213-P215 WeakPolarHBondContact O-CD 3.41Å
216S79.3Confident87.9Confident100 Ų10070.4 Ų70.470%0.69938%0.375SS*.THydrogen-bonded Turntrans-86.8-4.9-177.5730000114N214N214-S216 PolarHBondContact ND2-OG 3.44Å; N214-S216 PolarHBondContact O-N 2.95Å; N214-S216 PolarHBondContact OD1-N 2.71Å; N214-S216 PolarHBondContact OD1-OG 2.93Å
217A83.1Confident87.9Confident31 Ų3165.1 Ų65.126%0.25635%0.353SS..SBendtrans-102.5132.1-175.600000112.1N214 Y219N214-A217 HydrophobicContact CB-CB 4Å; N214-A217 PolarHBondContact O-N 3Å; A217-Y219 HydrophobicContact CB-CD2 4.19Å; A217-Y219 HydrophobicContact CB-CE1 4.05Å; A217-Y219 HydrophobicContact CB-CE2 3.65Å; A217-Y219 WeakPolarHBondContact O-CD2 3.42Å; A217-Y219 PolarHBondContact O-N 2.9Å; A217-Y219 VanDerWaalsContact O-N 3.12Å
218N84.7Confident87.9Confident175 Ų17565.4 Ų65.494%0.93635%0.35SS*.  trans-86.476.9178.5-73.3-65.6000111.2
219Y85.8Confident87.9Confident50 Ų5065.5 Ų65.520%0.19635%0.351CS..  trans-70.9148.3178.1-56.9-73.9000113.1E186 G212 N214 A217 Y223E186-Y219 WeakPolarHBondContact OE2-CE1 3.42Å; E186-Y219 PolarHBondContact OE2-OH 3.5Å; G212-Y219 VanDerWaalsContact C-CZ 3.49Å; G212-Y219 WeakPolarHBondContact O-CD2 3.37Å; G212-Y219 WeakPolarHBondContact O-CE2 3.26Å; N214-Y219 HydrophobicContact CB-CE2 4.2Å; N214-Y219 WeakPolarHBondContact CB-OH 3.16Å; N214-Y219 PolarHBondContact N-OH 3.43Å; N214-Y219 WeakPolarHBondContact O-CE2 3.47Å; A217-Y219 HydrophobicContact CB-CD2 4.19Å; A217-Y219 HydrophobicContact CB-CE1 4.05Å; A217-Y219 HydrophobicContact CB-CE2 3.65Å; A217-Y219 WeakPolarHBondContact O-CD2 3.42Å; A217-Y219 PolarHBondContact O-N 2.9Å; A217-Y219 VanDerWaalsContact O-N 3.12Å; Y219-Y223 AromaticContact CD1-CD1 3.6Å; Y219-Y223 HydrophobicContact CD1-CD1 3.6Å; Y219-Y223 AromaticContact CD1-CE1 3.71Å; Y219-Y223 HydrophobicContact CD1-CE1 3.71Å; Y219-Y223 HydrophobicContact CD1-CG 4.44Å; Y219-Y223 HydrophobicContact CE1-CD1 4.19Å; Y219-Y223 AromaticContact CE1-CE1 3.84Å; Y219-Y223 HydrophobicContact CE1-CE1 3.84Å; Y219-Y223 HydrophobicContact CG-CD1 4.13Å
220H86.9Confident87.9Confident148 Ų14864.8 Ų64.869%0.68535%0.346SS*.  trans-69.7140.3168.4-158.883.1000110.6L222 Y223H220-L222 PolarHBondContact O-N 2.94Å; H220-Y223 WeakPolarHBondContact O-CB 3.36Å; H220-Y223 PolarHBondContact O-N 3.31Å
221A81.4Confident88Confident89 Ų8964 Ų6474%0.73634%0.341SS*.THydrogen-bonded Turntrans-56.2-29.8-171.400000114.9
222L87.7Confident88Confident91 Ų9165.9 Ų65.948%0.47635%0.347SS..THydrogen-bonded Turntrans-87.4-8.5178.3-63.3179.5000114.7H220 R224 Y225 F226H220-L222 PolarHBondContact O-N 2.94Å; L222-R224 PolarHBondContact O-N 2.96Å; L222-Y225 HydrophobicContact CD2-CD2 4.33Å; L222-Y225 PolarHBondContact O-N 3.32Å; L222-Y225 VanDerWaalsContact O-N 3.1Å; L222-F226 HydrophobicContact CB-CD2 3.96Å; L222-F226 HydrophobicContact CB-CE2 3.56Å; L222-F226 HydrophobicContact CB-CZ 4.34Å; L222-F226 HydrophobicContact CD1-CE2 4.29Å; L222-F226 HydrophobicContact CD1-CZ 4.43Å; L222-F226 VanDerWaalsContact O-CD2 3.24Å; L222-F226 WeakPolarHBondContact O-CD2 3.33Å; L222-F226 PolarHBondContact O-N 3.48Å
223Y90.9Very high88.3Confident26 Ų2669.3 Ų69.310%0.10237%0.365CS..Hα-helixtrans-55-49.2-171.9174.6-114.1000112.7T185 E186 Y219 H220 Y225 F226 V227T185-Y223 HydrophobicContact CG2-CE2 3.99Å; T185-Y223 PolarHBondContact OG1-OH 2.8Å; E186-Y223 WeakPolarHBondContact OE1-CE1 3.41Å; E186-Y223 VanDerWaalsContact OE1-CZ 3.29Å; E186-Y223 PolarHBondContact OE1-OH 3.38Å; Y219-Y223 AromaticContact CD1-CD1 3.6Å; Y219-Y223 HydrophobicContact CD1-CD1 3.6Å; Y219-Y223 AromaticContact CD1-CE1 3.71Å; Y219-Y223 HydrophobicContact CD1-CE1 3.71Å; Y219-Y223 HydrophobicContact CD1-CG 4.44Å; Y219-Y223 HydrophobicContact CE1-CD1 4.19Å; Y219-Y223 AromaticContact CE1-CE1 3.84Å; Y219-Y223 HydrophobicContact CE1-CE1 3.84Å; Y219-Y223 HydrophobicContact CG-CD1 4.13Å; H220-Y223 WeakPolarHBondContact O-CB 3.36Å; H220-Y223 PolarHBondContact O-N 3.31Å; Y223-Y225 VanDerWaalsContact C-N 3.32Å; Y223-Y225 PolarHBondContact O-N 3.29Å; Y223-F226 WeakPolarHBondContact O-CB 3.42Å; Y223-F226 PolarHBondContact O-N 2.91Å; Y223-F226 VanDerWaalsContact O-N 3.1Å; Y223-V227 HydrophobicContact CD2-CG2 4.37Å; Y223-V227 HydrophobicContact CE1-CG2 4.16Å; Y223-V227 HydrophobicContact CE2-CG2 3.94Å; Y223-V227 PolarHBondContact O-N 3.47Å
224R87.4Confident88.6Confident54 Ų5467.3 Ų67.320%0.20435%0.353CS..Hα-helixtrans-62.2-37.5179.1-64.4-176.8-174.7158.91.8113N87 I90 G212 L222 F226 V227 E228N87-R224 PolarHBondContact OD1-NH1 3.38Å; I90-R224 HydrophobicContact CD1-CB 3.81Å; I90-R224 HydrophobicContact CD1-CG 4.33Å; G212-R224 PolarHBondContact O-NE 3.31Å; G212-R224 PolarHBondContact O-NH2 2.88Å; L222-R224 PolarHBondContact O-N 2.96Å; R224-F226 VanDerWaalsContact C-N 3.32Å; R224-F226 PolarHBondContact O-N 3.11Å; R224-V227 PolarHBondContact O-N 2.99Å; R224-E228 WeakPolarHBondContact O-CB 3.46Å; R224-E228 PolarHBondContact O-N 3.25Å
225Y89.8Confident89Confident106 Ų10664.6 Ų64.642%0.41634%0.338SS..Hα-helixtrans-68.1-32.2176.1-62.7-73.7000112.1M89 L222 Y223 L229M89-Y225 HydrophobicContact SD-CE1 4.33Å; L222-Y225 HydrophobicContact CD2-CD2 4.33Å; L222-Y225 PolarHBondContact O-N 3.32Å; L222-Y225 VanDerWaalsContact O-N 3.1Å; Y223-Y225 VanDerWaalsContact C-N 3.32Å; Y223-Y225 PolarHBondContact O-N 3.29Å; Y225-L229 VanDerWaalsContact O-CB 3.28Å; Y225-L229 WeakPolarHBondContact O-CB 3.24Å; Y225-L229 PolarHBondContact O-N 2.84Å
226F93.4Very high89.5Confident131 Ų13161.8 Ų61.858%0.57532%0.32SS*.Hα-helixtrans-71.1-40171.9-70-56.8000112.7L222 Y223 R224 L229 W230L222-F226 HydrophobicContact CB-CD2 3.96Å; L222-F226 HydrophobicContact CB-CE2 3.56Å; L222-F226 HydrophobicContact CB-CZ 4.34Å; L222-F226 HydrophobicContact CD1-CE2 4.29Å; L222-F226 HydrophobicContact CD1-CZ 4.43Å; L222-F226 VanDerWaalsContact O-CD2 3.24Å; L222-F226 WeakPolarHBondContact O-CD2 3.33Å; L222-F226 PolarHBondContact O-N 3.48Å; Y223-F226 WeakPolarHBondContact O-CB 3.42Å; Y223-F226 PolarHBondContact O-N 2.91Å; Y223-F226 VanDerWaalsContact O-N 3.1Å; R224-F226 VanDerWaalsContact C-N 3.32Å; R224-F226 PolarHBondContact O-N 3.11Å; F226-L229 PolarHBondContact O-N 3Å; F226-W230 WeakPolarHBondContact O-CB 3.41Å; F226-W230 PolarHBondContact O-N 3.01Å
227V93.9Very high90Very high16 Ų1658.1 Ų58.110%0.09729%0.291CS..Hα-helixtrans-60.4-50.1172.5173.50000110.1F182 A211 Y223 R224 L229 W230 I231F182-V227 HydrophobicContact CE1-CG2 4.46Å; A211-V227 HydrophobicContact CB-CG1 4.14Å; A211-V227 HydrophobicContact CB-CG2 4.29Å; Y223-V227 HydrophobicContact CD2-CG2 4.37Å; Y223-V227 HydrophobicContact CE1-CG2 4.16Å; Y223-V227 HydrophobicContact CE2-CG2 3.94Å; Y223-V227 PolarHBondContact O-N 3.47Å; R224-V227 PolarHBondContact O-N 2.99Å; V227-L229 VanDerWaalsContact C-N 3.34Å; V227-L229 PolarHBondContact O-N 3.29Å; V227-W230 HydrophobicContact CG1-CE3 4.2Å; V227-W230 HydrophobicContact CG1-CZ3 4.43Å; V227-W230 WeakPolarHBondContact O-CB 3.41Å; V227-W230 PolarHBondContact O-N 2.98Å; V227-W230 VanDerWaalsContact O-N 3.1Å; V227-I231 HydrophobicContact CG1-CD1 4.09Å; V227-I231 WeakPolarHBondContact O-CG1 3.31Å; V227-I231 PolarHBondContact O-N 3.47Å
228E91.7Very high90.3Very high20 Ų2058.8 Ų58.89%0.09329%0.29CS..Hα-helixtrans-60.2-42179-168.560.4-147.200112.2A93 R224 W230 I231 Y232A93-E228 VanDerWaalsContact CB-OE1 3.25Å; A93-E228 WeakPolarHBondContact CB-OE1 3.4Å; R224-E228 WeakPolarHBondContact O-CB 3.46Å; R224-E228 PolarHBondContact O-N 3.25Å; E228-W230 PolarHBondContact O-N 3.31Å; E228-I231 WeakPolarHBondContact O-CB 3.38Å; E228-I231 PolarHBondContact O-N 3.49Å; E228-Y232 HydrophobicContact CG-CD2 4.36Å; E228-Y232 HydrophobicContact CG-CE2 3.66Å; E228-Y232 WeakPolarHBondContact O-CD2 3.37Å; E228-Y232 PolarHBondContact O-N 3.08Å; E228-Y232 WeakPolarHBondContact OE1-CE1 3.32Å; E228-Y232 PolarHBondContact OE1-OH 3.02Å; E228-Y232 VanDerWaalsContact OE1-OH 3.04Å
229L93.2Very high90.3Very high91 Ų9151.5 Ų51.548%0.47625%0.252SS..Hα-helixtrans-62.6-41.2174-18062.5000112.3Y225 F226 V227 Y232 L233Y225-L229 VanDerWaalsContact O-CB 3.28Å; Y225-L229 WeakPolarHBondContact O-CB 3.24Å; Y225-L229 PolarHBondContact O-N 2.84Å; F226-L229 PolarHBondContact O-N 3Å; V227-L229 VanDerWaalsContact C-N 3.34Å; V227-L229 PolarHBondContact O-N 3.29Å; L229-Y232 PolarHBondContact O-N 3Å; L229-L233 HydrophobicContact CD1-CD1 4.49Å; L229-L233 HydrophobicContact CG-CD1 4.22Å; L229-L233 VanDerWaalsContact O-CG 3.25Å; L229-L233 WeakPolarHBondContact O-CG 3.3Å; L229-L233 PolarHBondContact O-N 3.44Å
230W95.6Very high90.1Very high36 Ų3650.5 Ų50.514%0.13625%0.25CS..Hα-helixtrans-62.8-41.1174.6161.378.1000111.8V173 H174 P178 F182 Y196 T200 I201 F226 V227 E228 L233 G234V173-W230 PolarHBondContact O-NE1 2.91Å; H174-W230 AromaticContact CD2-CD1 3.88Å; H174-W230 AromaticContact CD2-NE1 3.69Å; P178-W230 HydrophobicContact CB-CH2 4.46Å; P178-W230 HydrophobicContact CB-CZ2 3.75Å; P178-W230 HydrophobicContact CG-CZ2 3.67Å; F182-W230 HydrophobicContact CE2-CH2 4.1Å; F182-W230 HydrophobicContact CE2-CZ3 4.42Å; F182-W230 HydrophobicContact CZ-CE3 4.45Å; F182-W230 HydrophobicContact CZ-CH2 4.07Å; F182-W230 AromaticContact CZ-CZ3 3.93Å; F182-W230 HydrophobicContact CZ-CZ3 3.93Å; Y196-W230 HydrophobicContact CE1-CH2 4.27Å; Y196-W230 HydrophobicContact CE1-CZ3 4.09Å; T200-W230 HydrophobicContact CG2-CZ3 4.42Å; I201-W230 HydrophobicContact CD1-CH2 4.48Å; I201-W230 HydrophobicContact CD1-CZ2 4.12Å; I201-W230 HydrophobicContact CG1-CH2 4.42Å; I201-W230 HydrophobicContact CG1-CZ2 4.2Å; F226-W230 WeakPolarHBondContact O-CB 3.41Å; F226-W230 PolarHBondContact O-N 3.01Å; V227-W230 HydrophobicContact CG1-CE3 4.2Å; V227-W230 HydrophobicContact CG1-CZ3 4.43Å; V227-W230 WeakPolarHBondContact O-CB 3.41Å; V227-W230 PolarHBondContact O-N 2.98Å; V227-W230 VanDerWaalsContact O-N 3.1Å; E228-W230 PolarHBondContact O-N 3.31Å; W230-L233 PolarHBondContact O-N 2.84Å; W230-G234 PolarHBondContact O-N 3.16Å
231I94.9Very high89.8Confident2 Ų246.9 Ų46.91%0.0123%0.233CC..Hα-helixtrans-58.4-51.9173.5-67173.2000110.3I99 T200 V227 E228 L233 G234 L235I99-I231 HydrophobicContact CD1-CG2 3.49Å; I99-I231 VanDerWaalsContact CD1-CG2 3.49Å; T200-I231 HydrophobicContact CG2-CD1 3.64Å; T200-I231 HydrophobicContact CG2-CG1 3.66Å; T200-I231 HydrophobicContact CG2-CG2 4.37Å; V227-I231 HydrophobicContact CG1-CD1 4.09Å; V227-I231 WeakPolarHBondContact O-CG1 3.31Å; V227-I231 PolarHBondContact O-N 3.47Å; E228-I231 WeakPolarHBondContact O-CB 3.38Å; E228-I231 PolarHBondContact O-N 3.49Å; I231-L233 VanDerWaalsContact C-N 3.33Å; I231-L233 PolarHBondContact O-N 3.44Å; I231-G234 CarbonylContact O-C 3.59Å; I231-G234 WeakPolarHBondContact O-CA 3.49Å; I231-G234 PolarHBondContact O-N 2.92Å; I231-L235 HydrophobicContact CG2-CD1 4.03Å; I231-L235 HydrophobicContact CG2-CG 4.26Å; I231-L235 WeakPolarHBondContact O-CG 3.49Å; I231-L235 PolarHBondContact O-N 3.29Å
232Y92.9Very high89.7Confident50 Ų5046.1 Ų46.120%0.19622%0.219CC..Hα-helixtrans-60-39.4179-65.2-41.9000113.5A93 T97 W129 E228 L229 G234 A236A93-Y232 VanDerWaalsContact CB-OH 3.24Å; A93-Y232 WeakPolarHBondContact CB-OH 3.36Å; T97-Y232 HydrophobicContact CG2-CD1 4.17Å; T97-Y232 HydrophobicContact CG2-CE1 3.72Å; W129-Y232 HydrophobicContact CH2-CD1 4.02Å; W129-Y232 AromaticContact CH2-CD2 3.98Å; W129-Y232 HydrophobicContact CH2-CD2 3.98Å; W129-Y232 HydrophobicContact CH2-CE1 4.33Å; W129-Y232 HydrophobicContact CH2-CE2 4.31Å; W129-Y232 AromaticContact CH2-CG 3.84Å; W129-Y232 HydrophobicContact CH2-CG 3.84Å; W129-Y232 AromaticContact CZ3-CD1 3.72Å; W129-Y232 HydrophobicContact CZ3-CD1 3.72Å; W129-Y232 AromaticContact CZ3-CE1 3.96Å; W129-Y232 HydrophobicContact CZ3-CE1 3.96Å; W129-Y232 HydrophobicContact CZ3-CG 4.02Å; E228-Y232 HydrophobicContact CG-CD2 4.36Å; E228-Y232 HydrophobicContact CG-CE2 3.66Å; E228-Y232 WeakPolarHBondContact O-CD2 3.37Å; E228-Y232 PolarHBondContact O-N 3.08Å; E228-Y232 WeakPolarHBondContact OE1-CE1 3.32Å; E228-Y232 PolarHBondContact OE1-OH 3.02Å; E228-Y232 VanDerWaalsContact OE1-OH 3.04Å; L229-Y232 PolarHBondContact O-N 3Å; Y232-G234 VanDerWaalsContact C-N 3.32Å; Y232-A236 WeakPolarHBondContact O-CB 3.28Å; Y232-A236 PolarHBondContact O-N 2.89Å
233L92.7Very high89.2Confident72 Ų7246 Ų4638%0.37722%0.218SC..Hα-helixtrans-64.9-38.5175-69.4171.8000111.6F137 L229 W230 I231 A236 W237F137-L233 HydrophobicContact CE2-CD2 4.05Å; F137-L233 HydrophobicContact CZ-CD2 3.58Å; L229-L233 HydrophobicContact CD1-CD1 4.49Å; L229-L233 HydrophobicContact CG-CD1 4.22Å; L229-L233 VanDerWaalsContact O-CG 3.25Å; L229-L233 WeakPolarHBondContact O-CG 3.3Å; L229-L233 PolarHBondContact O-N 3.44Å; W230-L233 PolarHBondContact O-N 2.84Å; I231-L233 VanDerWaalsContact C-N 3.33Å; I231-L233 PolarHBondContact O-N 3.44Å; L233-A236 PolarHBondContact O-N 2.91Å; L233-W237 WeakPolarHBondContact O-CB 3.47Å; L233-W237 PolarHBondContact O-N 3.37Å
234G93Very high88.5Confident0 Ų049 Ų490%023%0.23CC..Hα-helixtrans-65-46.5174.800000113.7H174 W230 I231 Y232 W237 L238H174-G234 WeakPolarHBondContact CD2-CA 3.31Å; H174-G234 WeakPolarHBondContact NE2-CA 3.31Å; H174-G234 PolarHBondContact NE2-N 3.45Å; W230-G234 PolarHBondContact O-N 3.16Å; I231-G234 CarbonylContact O-C 3.59Å; I231-G234 WeakPolarHBondContact O-CA 3.49Å; I231-G234 PolarHBondContact O-N 2.92Å; Y232-G234 VanDerWaalsContact C-N 3.32Å; G234-W237 WeakPolarHBondContact O-CB 3.44Å; G234-W237 PolarHBondContact O-N 3.35Å; G234-L238 WeakPolarHBondContact O-CB 3.48Å; G234-L238 PolarHBondContact O-N 3.49Å
235L92Very high87.9Confident10 Ų1052.4 Ų52.45%0.05225%0.246CC..Hα-helixtrans-64.5-39.4175.2-63.5179.6000111.6T97 I99 I130 T203 I231 W237 L238 S239T97-L235 HydrophobicContact CG2-CD1 3.75Å; I99-L235 HydrophobicContact CD1-CD1 4.39Å; I130-L235 HydrophobicContact CD1-CB 4.11Å; I130-L235 HydrophobicContact CD1-CD1 4.12Å; I130-L235 HydrophobicContact CG2-CB 4.41Å; T203-L235 HydrophobicContact CG2-CD2 3.42Å; T203-L235 VanDerWaalsContact CG2-CD2 3.42Å; I231-L235 HydrophobicContact CG2-CD1 4.03Å; I231-L235 HydrophobicContact CG2-CG 4.26Å; I231-L235 WeakPolarHBondContact O-CG 3.49Å; I231-L235 PolarHBondContact O-N 3.29Å; L235-W237 PolarHBondContact O-N 2.93Å; L235-L238 PolarHBondContact O-N 2.85Å; L235-S239 WeakPolarHBondContact O-CB 3.33Å; L235-S239 PolarHBondContact O-N 2.92Å
236A89.9Confident87.3Confident0 Ų051.6 Ų51.60%025%0.252CS..Hα-helixtrans-61.8-41.9172.500000112.1L133 F137 Y232 L233 S239 L240L133-A236 HydrophobicContact CB-CB 3.88Å; F137-A236 HydrophobicContact CD2-CB 4.22Å; F137-A236 HydrophobicContact CE2-CB 4.17Å; Y232-A236 WeakPolarHBondContact O-CB 3.28Å; Y232-A236 PolarHBondContact O-N 2.89Å; L233-A236 PolarHBondContact O-N 2.91Å; A236-S239 PolarHBondContact O-OG 3.1Å; A236-L240 PolarHBondContact O-N 2.94Å
237W89.7Confident86.4Confident22 Ų2248.5 Ų48.58%0.08325%0.247CC..Hα-helixtrans-64.8-44.2173.3173.387.7000112.5F166 V171 L233 G234 L235 S239 L240 F241F166-W237 AromaticContact CD1-NE1 3.87Å; F166-W237 AromaticContact CE1-CD1 3.31Å; F166-W237 HydrophobicContact CE1-CG 4.34Å; F166-W237 AromaticContact CE1-NE1 3.53Å; F166-W237 AromaticContact CZ-CD1 3.37Å; F166-W237 HydrophobicContact CZ-CG 4.35Å; F166-W237 PolarHBondContact O-NE1 3.46Å; V171-W237 HydrophobicContact CG2-CH2 4.15Å; V171-W237 HydrophobicContact CG2-CZ2 4.28Å; L233-W237 WeakPolarHBondContact O-CB 3.47Å; L233-W237 PolarHBondContact O-N 3.37Å; G234-W237 WeakPolarHBondContact O-CB 3.44Å; G234-W237 PolarHBondContact O-N 3.35Å; L235-W237 PolarHBondContact O-N 2.93Å; W237-S239 VanDerWaalsContact C-N 3.34Å; W237-S239 PolarHBondContact O-N 3.26Å; W237-L240 WeakPolarHBondContact O-CB 3.33Å; W237-L240 PolarHBondContact O-N 3.45Å; W237-L240 VanDerWaalsContact O-N 3.16Å; W237-F241 PolarHBondContact O-N 3.08Å
238L88Confident85.6Confident46 Ų4651.4 Ų51.424%0.24126%0.26CS..Hα-helixtrans-62.6-41.6178.1-178.461.9000111.1I201 G234 L235 L240 F241 V242I201-L238 WeakPolarHBondContact O-CD2 3.25Å; G234-L238 WeakPolarHBondContact O-CB 3.48Å; G234-L238 PolarHBondContact O-N 3.49Å; L235-L238 PolarHBondContact O-N 2.85Å; L238-L240 VanDerWaalsContact C-N 3.26Å; L238-L240 PolarHBondContact O-N 3.22Å; L238-F241 HydrophobicContact CD1-CD1 4.36Å; L238-F241 WeakPolarHBondContact O-CB 3.44Å; L238-F241 PolarHBondContact O-N 3.09Å; L238-F241 VanDerWaalsContact O-N 3.08Å; L238-V242 HydrophobicContact CD1-CG2 4.45Å; L238-V242 HydrophobicContact CG-CG2 4.5Å; L238-V242 WeakPolarHBondContact O-CG2 3.4Å; L238-V242 PolarHBondContact O-N 3.34Å
239S84.7Confident85.1Confident21 Ų2157 Ų5715%0.14729%0.285CS..Hα-helixtrans-58.5-38175.883.90000112.2L235 A236 W237 N243L235-S239 WeakPolarHBondContact O-CB 3.33Å; L235-S239 PolarHBondContact O-N 2.92Å; A236-S239 PolarHBondContact O-OG 3.1Å; W237-S239 VanDerWaalsContact C-N 3.34Å; W237-S239 PolarHBondContact O-N 3.26Å; S239-N243 WeakPolarHBondContact O-CB 3.4Å; S239-N243 PolarHBondContact O-N 3.37Å; S239-N243 PolarHBondContact O-ND2 3.48Å
240L81.6Confident84.5Confident30 Ų3055.8 Ų55.816%0.15728%0.281CS..Hα-helixtrans-66.7-43.2174.3-90.2176.5000112G134 F137 F166 A236 W237 L238 N243 W244G134-L240 VanDerWaalsContact O-CD1 3.25Å; G134-L240 WeakPolarHBondContact O-CD1 3.29Å; G134-L240 VanDerWaalsContact O-CD2 3.25Å; G134-L240 WeakPolarHBondContact O-CD2 3.4Å; G134-L240 VanDerWaalsContact O-CG 3.3Å; G134-L240 WeakPolarHBondContact O-CG 3.45Å; F137-L240 HydrophobicContact CB-CD1 3.67Å; F166-L240 HydrophobicContact CE1-CB 4.07Å; F166-L240 HydrophobicContact CE1-CD1 3.78Å; F166-L240 HydrophobicContact CE2-CD1 4.26Å; F166-L240 HydrophobicContact CZ-CB 4.4Å; F166-L240 HydrophobicContact CZ-CD1 3.36Å; A236-L240 PolarHBondContact O-N 2.94Å; W237-L240 WeakPolarHBondContact O-CB 3.33Å; W237-L240 PolarHBondContact O-N 3.45Å; W237-L240 VanDerWaalsContact O-N 3.16Å; L238-L240 VanDerWaalsContact C-N 3.26Å; L238-L240 PolarHBondContact O-N 3.22Å; L240-N243 PolarHBondContact O-N 3.38Å; L240-W244 VanDerWaalsContact O-CB 3.29Å; L240-W244 WeakPolarHBondContact O-CB 3.33Å; L240-W244 PolarHBondContact O-N 2.96Å
241F80.8Confident83.8Confident71 Ų7160.2 Ų60.231%0.31130%0.303SS..Hα-helixtrans-61.5-43.6176.9177.7-103.1000111.7I167 W237 L238 W244 K245I167-F241 HydrophobicContact CD1-CD2 4.37Å; I167-F241 HydrophobicContact CD1-CE2 4.33Å; I167-F241 HydrophobicContact CG1-CD2 4.34Å; W237-F241 PolarHBondContact O-N 3.08Å; L238-F241 HydrophobicContact CD1-CD1 4.36Å; L238-F241 WeakPolarHBondContact O-CB 3.44Å; L238-F241 PolarHBondContact O-N 3.09Å; L238-F241 VanDerWaalsContact O-N 3.08Å; F241-W244 PolarHBondContact O-N 2.9Å; F241-K245 VanDerWaalsContact O-CB 3.28Å; F241-K245 WeakPolarHBondContact O-CB 3.25Å; F241-K245 PolarHBondContact O-N 3Å
242V80.5Confident83.2Confident74 Ų7463.3 Ų63.345%0.44832%0.322SS..Hα-helixtrans-62.1-50.4175.8173.60000111.3L238 W244 K245 V246L238-V242 HydrophobicContact CD1-CG2 4.45Å; L238-V242 HydrophobicContact CG-CG2 4.5Å; L238-V242 WeakPolarHBondContact O-CG2 3.4Å; L238-V242 PolarHBondContact O-N 3.34Å; V242-W244 VanDerWaalsContact C-N 3.29Å; V242-W244 PolarHBondContact O-N 3.47Å; V242-K245 PolarHBondContact O-N 3.37Å; V242-V246 WeakPolarHBondContact O-CG2 3.28Å; V242-V246 PolarHBondContact O-N 3.32Å
243N75.7Confident82.7Confident87 Ų8764.8 Ų64.847%0.46533%0.33SS..Hα-helixtrans-59-39.6177.2-80.3-61.3000112.4S239 L240 S247S239-N243 WeakPolarHBondContact O-CB 3.4Å; S239-N243 PolarHBondContact O-N 3.37Å; S239-N243 PolarHBondContact O-ND2 3.48Å; L240-N243 PolarHBondContact O-N 3.38Å; N243-S247 PolarHBondContact O-N 3.19Å; N243-S247 PolarHBondContact O-OG 3.16Å
244W76.3Confident82.5Confident91 Ų9168.1 Ų68.135%0.34534%0.342SS..Hα-helixtrans-70.9-42.9176.6-178.371.5000112.5T163 I167 L240 F241 V242 V246 S247 M248T163-W244 HydrophobicContact CG2-CD2 3.83Å; T163-W244 HydrophobicContact CG2-CE3 4.12Å; T163-W244 HydrophobicContact CG2-CG 4.47Å; T163-W244 HydrophobicContact CG2-CH2 3.85Å; T163-W244 HydrophobicContact CG2-CZ2 3.56Å; T163-W244 HydrophobicContact CG2-CZ3 4.13Å; I167-W244 HydrophobicContact CD1-CE3 4.12Å; I167-W244 HydrophobicContact CD1-CH2 4.23Å; I167-W244 HydrophobicContact CD1-CZ3 3.65Å; L240-W244 VanDerWaalsContact O-CB 3.29Å; L240-W244 WeakPolarHBondContact O-CB 3.33Å; L240-W244 PolarHBondContact O-N 2.96Å; F241-W244 PolarHBondContact O-N 2.9Å; V242-W244 VanDerWaalsContact C-N 3.29Å; V242-W244 PolarHBondContact O-N 3.47Å; W244-V246 VanDerWaalsContact C-N 3.33Å; W244-V246 PolarHBondContact O-N 3.49Å; W244-S247 WeakPolarHBondContact O-CB 3.24Å; W244-S247 PolarHBondContact O-N 3.1Å; W244-S247 VanDerWaalsContact O-N 3.15Å; W244-M248 HydrophobicContact CH2-CE 4.48Å; W244-M248 HydrophobicContact CH2-CG 4.39Å; W244-M248 HydrophobicContact CH2-SD 3.35Å; W244-M248 WeakPolarHBondContact CH2-SD 3.41Å; W244-M248 HydrophobicContact CZ2-CB 4.26Å; W244-M248 HydrophobicContact CZ2-CG 4.18Å; W244-M248 HydrophobicContact CZ2-SD 3.69Å; W244-M248 HydrophobicContact CZ3-SD 3.96Å; W244-M248 WeakPolarHBondContact O-CB 3.45Å; W244-M248 PolarHBondContact O-N 3.05Å
245K75.5Confident82.1Confident124 Ų12471 Ų7154%0.53937%0.365SS..Hα-helixtrans-55.7-45.8175.5174-174.5169-176.40111.3F241 V242 S247 M248 F249F241-K245 VanDerWaalsContact O-CB 3.28Å; F241-K245 WeakPolarHBondContact O-CB 3.25Å; F241-K245 PolarHBondContact O-N 3Å; V242-K245 PolarHBondContact O-N 3.37Å; K245-S247 VanDerWaalsContact C-N 3.35Å; K245-S247 PolarHBondContact O-N 3.1Å; K245-M248 PolarHBondContact O-N 2.89Å; K245-F249 VanDerWaalsContact O-CB 3.25Å; K245-F249 WeakPolarHBondContact O-CB 3.34Å; K245-F249 PolarHBondContact O-N 3.04Å
246V77.9Confident81.8Confident90 Ų9075.3 Ų75.355%0.54539%0.387SS..Hα-helixtrans-59.2-47.2177172.40000110.7V242 W244 F249 V250V242-V246 WeakPolarHBondContact O-CG2 3.28Å; V242-V246 PolarHBondContact O-N 3.32Å; W244-V246 VanDerWaalsContact C-N 3.33Å; W244-V246 PolarHBondContact O-N 3.49Å; V246-F249 PolarHBondContact O-N 3.22Å; V246-V250 WeakPolarHBondContact O-CG2 3.47Å; V246-V250 PolarHBondContact O-N 3.5Å; V246-V250 VanDerWaalsContact O-N 3.17Å
247S74.9Confident81.7Confident66 Ų6683 Ų8346%0.46242%0.42SS..Hα-helixtrans-61.8-48.9178.1-57.10000112N243 W244 K245 F249 V250 E251N243-S247 PolarHBondContact O-N 3.19Å; N243-S247 PolarHBondContact O-OG 3.16Å; W244-S247 WeakPolarHBondContact O-CB 3.24Å; W244-S247 PolarHBondContact O-N 3.1Å; W244-S247 VanDerWaalsContact O-N 3.15Å; K245-S247 VanDerWaalsContact C-N 3.35Å; K245-S247 PolarHBondContact O-N 3.1Å; S247-F249 PolarHBondContact O-N 2.94Å; S247-V250 PolarHBondContact O-N 2.85Å; S247-E251 PolarHBondContact O-N 3.07Å
248M76.6Confident81.8Confident77 Ų7788.1 Ų88.138%0.37944%0.444SS..Hα-helixtrans-63.1-41.8178.7-170.6-167.971.200111.8W244 K245 V250 E251 V252W244-M248 HydrophobicContact CH2-CE 4.48Å; W244-M248 HydrophobicContact CH2-CG 4.39Å; W244-M248 HydrophobicContact CH2-SD 3.35Å; W244-M248 WeakPolarHBondContact CH2-SD 3.41Å; W244-M248 HydrophobicContact CZ2-CB 4.26Å; W244-M248 HydrophobicContact CZ2-CG 4.18Å; W244-M248 HydrophobicContact CZ2-SD 3.69Å; W244-M248 HydrophobicContact CZ3-SD 3.96Å; W244-M248 WeakPolarHBondContact O-CB 3.45Å; W244-M248 PolarHBondContact O-N 3.05Å; K245-M248 PolarHBondContact O-N 2.89Å; M248-V250 VanDerWaalsContact C-N 3.32Å; M248-V250 PolarHBondContact O-N 2.81Å; M248-E251 PolarHBondContact O-N 3.44Å; M248-V252 HydrophobicContact CG-CG2 4.04Å; M248-V252 WeakPolarHBondContact O-CB 3.3Å; M248-V252 VanDerWaalsContact O-CG2 3.3Å; M248-V252 WeakPolarHBondContact O-CG2 3.16Å; M248-V252 PolarHBondContact O-N 3.49Å
249F79.8Confident81.7Confident138 Ų13894 Ų9461%0.60546%0.463SS*.Hα-helixtrans-60.9-41.9178.4-176.2-99.4000111.6K245 V246 S247 H253K245-F249 VanDerWaalsContact O-CB 3.25Å; K245-F249 WeakPolarHBondContact O-CB 3.34Å; K245-F249 PolarHBondContact O-N 3.04Å; V246-F249 PolarHBondContact O-N 3.22Å; S247-F249 PolarHBondContact O-N 2.94Å; F249-H253 WeakPolarHBondContact O-CB 3.24Å; F249-H253 PolarHBondContact O-N 3.33Å
250V81.9Confident81.8Confident65 Ų65102.6 Ų102.639%0.39449%0.492SS..Hα-helixtrans-63.7-43174.2171.50000111.5V246 S247 M248 K254V246-V250 WeakPolarHBondContact O-CG2 3.47Å; V246-V250 PolarHBondContact O-N 3.5Å; V246-V250 VanDerWaalsContact O-N 3.17Å; S247-V250 PolarHBondContact O-N 2.85Å; M248-V250 VanDerWaalsContact C-N 3.32Å; M248-V250 PolarHBondContact O-N 2.81Å; V250-K254 HydrophobicContact CG1-CD 4.04Å; V250-K254 WeakPolarHBondContact O-CB 3.32Å; V250-K254 VanDerWaalsContact O-CG 3.22Å; V250-K254 WeakPolarHBondContact O-CG 3.33Å; V250-K254 PolarHBondContact O-N 3.35Å
251E81.6Confident82.1Confident128 Ų128109.3 Ų109.360%0.59852%0.515SS*.Hα-helixtrans-65.4-46.6177-72.8-173.517700112.9S247 M248 K254 A255S247-E251 PolarHBondContact O-N 3.07Å; M248-E251 PolarHBondContact O-N 3.44Å; E251-K254 WeakPolarHBondContact O-CB 3.29Å; E251-K254 PolarHBondContact O-N 2.9Å; E251-A255 WeakPolarHBondContact O-CB 3.33Å; E251-A255 PolarHBondContact O-N 3.04Å
252V82.3Confident82.4Confident68 Ų68113.6 Ų113.641%0.41253%0.529SS..Hα-helixtrans-62.8-44.1177.6170.10000110.5M248 K254 A255 I256M248-V252 HydrophobicContact CG-CG2 4.04Å; M248-V252 WeakPolarHBondContact O-CB 3.3Å; M248-V252 VanDerWaalsContact O-CG2 3.3Å; M248-V252 WeakPolarHBondContact O-CG2 3.16Å; M248-V252 PolarHBondContact O-N 3.49Å; V252-K254 PolarHBondContact O-N 2.96Å; V252-A255 PolarHBondContact O-N 3.4Å; V252-A255 VanDerWaalsContact O-N 3.17Å; V252-I256 HydrophobicContact CG1-CD1 3.7Å; V252-I256 HydrophobicContact CG1-CG1 4.33Å; V252-I256 WeakPolarHBondContact O-CB 3.19Å; V252-I256 VanDerWaalsContact O-CG1 3.31Å; V252-I256 WeakPolarHBondContact O-CG1 3.48Å; V252-I256 PolarHBondContact O-N 3.27Å
253H81.8Confident82.5Confident80 Ų80117.9 Ų117.937%0.3754%0.537SS..Hα-helixtrans-65-38.5176.8-171.3-149.5000111.8F249 K257F249-H253 WeakPolarHBondContact O-CB 3.24Å; F249-H253 PolarHBondContact O-N 3.33Å; H253-K257 VanDerWaalsContact O-CB 3.32Å; H253-K257 WeakPolarHBondContact O-CB 3.44Å; H253-K257 PolarHBondContact O-N 2.81Å
254K87.6Confident82.9Confident143 Ų143120 Ų12062%0.62254%0.542SS*.Hα-helixtrans-61.6-43.5170.3-75.6168.3-179.31730111.7V250 E251 V252 K257 K258V250-K254 HydrophobicContact CG1-CD 4.04Å; V250-K254 WeakPolarHBondContact O-CB 3.32Å; V250-K254 VanDerWaalsContact O-CG 3.22Å; V250-K254 WeakPolarHBondContact O-CG 3.33Å; V250-K254 PolarHBondContact O-N 3.35Å; E251-K254 WeakPolarHBondContact O-CB 3.29Å; E251-K254 PolarHBondContact O-N 2.9Å; V252-K254 PolarHBondContact O-N 2.96Å; K254-K257 PolarHBondContact O-N 3.15Å; K254-K258 WeakPolarHBondContact O-CB 3.35Å; K254-K258 PolarHBondContact O-N 3.39Å
255A86.2Confident83.3Confident59 Ų59119.5 Ų119.549%0.48854%0.544SS..Hα-helixtrans-65.9-43.6178.600000112.4E251 V252 K258 R259E251-A255 WeakPolarHBondContact O-CB 3.33Å; E251-A255 PolarHBondContact O-N 3.04Å; V252-A255 PolarHBondContact O-N 3.4Å; V252-A255 VanDerWaalsContact O-N 3.17Å; A255-K258 WeakPolarHBondContact O-CB 3.45Å; A255-K258 PolarHBondContact O-N 3Å; A255-R259 PolarHBondContact O-N 3.44Å
256I85.6Confident83.6Confident101 Ų101117 Ų11752%0.51854%0.542SS..Hα-helixtrans-62.5-45.6174.4-68.9168.7000110.4V252 K258 R259 R260V252-I256 HydrophobicContact CG1-CD1 3.7Å; V252-I256 HydrophobicContact CG1-CG1 4.33Å; V252-I256 WeakPolarHBondContact O-CB 3.19Å; V252-I256 VanDerWaalsContact O-CG1 3.31Å; V252-I256 WeakPolarHBondContact O-CG1 3.48Å; V252-I256 PolarHBondContact O-N 3.27Å; I256-K258 VanDerWaalsContact C-N 3.31Å; I256-K258 PolarHBondContact O-N 3.4Å; I256-R259 PolarHBondContact O-N 3.14Å; I256-R259 VanDerWaalsContact O-N 3.16Å; I256-R260 WeakPolarHBondContact O-CB 3.47Å; I256-R260 PolarHBondContact O-N 2.79Å
257K87.7Confident83.4Confident161 Ų161120.1 Ų120.170%0.755%0.549SS*.Hα-helixtrans-59.2-41.9175.7-170.7175.1-177.3178.20111.5H253 K254 R260 R261H253-K257 VanDerWaalsContact O-CB 3.32Å; H253-K257 WeakPolarHBondContact O-CB 3.44Å; H253-K257 PolarHBondContact O-N 2.81Å; K254-K257 PolarHBondContact O-N 3.15Å; K257-R260 PolarHBondContact O-N 2.78Å; K257-R261 WeakPolarHBondContact O-CB 3.26Å; K257-R261 PolarHBondContact O-N 3.03Å
258K90Very high83.3Confident131 Ų131122.3 Ų122.357%0.5755%0.552SS**Hα-helixtrans-63.6-42.1174.1-173176.6-178.1176.20112.3K254 A255 I256 R261 R262K254-K258 WeakPolarHBondContact O-CB 3.35Å; K254-K258 PolarHBondContact O-N 3.39Å; A255-K258 WeakPolarHBondContact O-CB 3.45Å; A255-K258 PolarHBondContact O-N 3Å; I256-K258 VanDerWaalsContact C-N 3.31Å; I256-K258 PolarHBondContact O-N 3.4Å; K258-R261 PolarHBondContact O-N 2.88Å; K258-R262 WeakPolarHBondContact O-CG 3.25Å; K258-R262 PolarHBondContact O-N 3.35Å
259R87.9Confident82.8Confident169 Ų169122.9 Ų122.964%0.63856%0.563SS**Hα-helixtrans-66.8-41.4176.8-164.8177.8-171.2-173.43.1111.9A255 I256 R262 R263A255-R259 PolarHBondContact O-N 3.44Å; I256-R259 PolarHBondContact O-N 3.14Å; I256-R259 VanDerWaalsContact O-N 3.16Å; R259-R262 PolarHBondContact O-N 3.3Å; R259-R263 WeakPolarHBondContact O-CG 3.18Å; R259-R263 PolarHBondContact O-N 3.04Å
260R86.8Confident81.7Confident201 Ų201118.8 Ų118.876%0.75855%0.552SS**Hα-helixtrans-64.9-41.7175.7-169.2176.2-176.8-177.81.2111.7I256 K257 R263 K264I256-R260 WeakPolarHBondContact O-CB 3.47Å; I256-R260 PolarHBondContact O-N 2.79Å; K257-R260 PolarHBondContact O-N 2.78Å; R260-R263 PolarHBondContact O-N 2.98Å; R260-K264 PolarHBondContact O-N 3.01Å; R260-K264 VanDerWaalsContact O-N 3.08Å
261R87.1Confident80.5Confident171 Ų171120.8 Ų120.865%0.64557%0.566SS**Hα-helixtrans-59.8-50.3174-179.1174.8168.7176.4-1.8111.6K257 K258 R263 K264 E265K257-R261 WeakPolarHBondContact O-CB 3.26Å; K257-R261 PolarHBondContact O-N 3.03Å; K258-R261 PolarHBondContact O-N 2.88Å; R261-R263 VanDerWaalsContact C-N 3.32Å; R261-R263 PolarHBondContact O-N 3.43Å; R261-K264 PolarHBondContact O-N 2.92Å; R261-E265 HydrophobicContact CG-CG 4.43Å; R261-E265 IonicContact CZ-OE1 3.96Å; R261-E265 VanDerWaalsContact CZ-OE1 3.25Å; R261-E265 IonicContact NE-OE1 3.17Å; R261-E265 PolarHBondContact NE-OE1 2.99Å; R261-E265 IonicContact NE-OE2 3.25Å; R261-E265 IonicContact NH2-OE1 2.71Å; R261-E265 PolarHBondContact NH2-OE1 3.3Å; R261-E265 WeakPolarHBondContact O-CG 3.39Å; R261-E265 PolarHBondContact O-N 3.05Å
262R86.1Confident79Confident162 Ų162122 Ų12261%0.61157%0.571SS**Hα-helixtrans-58.5-39.9176.7-74.6-177.8175.1-149.6-6.9113.1K258 R259 K264 E265 S266K258-R262 WeakPolarHBondContact O-CG 3.25Å; K258-R262 PolarHBondContact O-N 3.35Å; R259-R262 PolarHBondContact O-N 3.3Å; R262-K264 VanDerWaalsContact C-N 3.34Å; R262-E265 PolarHBondContact O-N 2.89Å; R262-S266 WeakPolarHBondContact O-CB 3.36Å; R262-S266 PolarHBondContact O-N 3.34Å; R262-S266 PolarHBondContact O-OG 2.94Å; R262-S266 VanDerWaalsContact O-OG 3.12Å
263R83.8Confident77.5Confident164 Ų164121.5 Ų121.562%0.61957%0.571SS**Hα-helixtrans-63.2-36.2174.5-78.5-178.4173.3178.2-3.6113R259 R260 R261 S266 F267R259-R263 WeakPolarHBondContact O-CG 3.18Å; R259-R263 PolarHBondContact O-N 3.04Å; R260-R263 PolarHBondContact O-N 2.98Å; R261-R263 VanDerWaalsContact C-N 3.32Å; R261-R263 PolarHBondContact O-N 3.43Å; R263-S266 WeakPolarHBondContact CA-OG 3.33Å; R263-S266 PolarHBondContact O-OG 3.28Å; R263-F267 WeakPolarHBondContact O-CB 3.23Å; R263-F267 PolarHBondContact O-N 3.36Å
264K84.8Confident75.8Confident132 Ų132127.6 Ų127.657%0.57459%0.591SS**Hα-helixtrans-70.6-45.7175.5-162.2-177-168.5-108.20111.1R260 R261 R262 S266 F267 E268R260-K264 PolarHBondContact O-N 3.01Å; R260-K264 VanDerWaalsContact O-N 3.08Å; R261-K264 PolarHBondContact O-N 2.92Å; R262-K264 VanDerWaalsContact C-N 3.34Å; K264-S266 VanDerWaalsContact C-N 3.33Å; K264-S266 PolarHBondContact O-N 3.44Å; K264-F267 PolarHBondContact O-N 2.96Å; K264-F267 VanDerWaalsContact O-N 3.1Å; K264-E268 VanDerWaalsContact CE-OE1 3.32Å; K264-E268 WeakPolarHBondContact CE-OE1 3.25Å; K264-E268 IonicContact NZ-OE1 3.94Å; K264-E268 PolarHBondContact NZ-OE1 3.16Å; K264-E268 PolarHBondContact O-N 2.84Å
265E84.7Confident73.8Confident79 Ų79128.4 Ų128.437%0.36959%0.594SS.*Hα-helixtrans-59.3-41.9176.4-70.3166.4161.800111.3R261 R262 F267 E268 S269R261-E265 HydrophobicContact CG-CG 4.43Å; R261-E265 IonicContact CZ-OE1 3.96Å; R261-E265 VanDerWaalsContact CZ-OE1 3.25Å; R261-E265 IonicContact NE-OE1 3.17Å; R261-E265 PolarHBondContact NE-OE1 2.99Å; R261-E265 IonicContact NE-OE2 3.25Å; R261-E265 IonicContact NH2-OE1 2.71Å; R261-E265 PolarHBondContact NH2-OE1 3.3Å; R261-E265 WeakPolarHBondContact O-CG 3.39Å; R261-E265 PolarHBondContact O-N 3.05Å; R262-E265 PolarHBondContact O-N 2.89Å; E265-F267 VanDerWaalsContact C-N 3.32Å; E265-F267 PolarHBondContact O-N 2.86Å; E265-E268 PolarHBondContact O-N 3.32Å; E265-S269 WeakPolarHBondContact O-CB 3.44Å; E265-S269 PolarHBondContact O-N 3.46Å; E265-S269 PolarHBondContact O-OG 2.93Å
266S79.9Confident71.9Confident72 Ų72129.8 Ų129.850%0.50361%0.605SS.*Hα-helixtrans-69.6-23.8175.5600000114.7R262 R263 K264 S269R262-S266 WeakPolarHBondContact O-CB 3.36Å; R262-S266 PolarHBondContact O-N 3.34Å; R262-S266 PolarHBondContact O-OG 2.94Å; R262-S266 VanDerWaalsContact O-OG 3.12Å; R263-S266 WeakPolarHBondContact CA-OG 3.33Å; R263-S266 PolarHBondContact O-OG 3.28Å; K264-S266 VanDerWaalsContact C-N 3.33Å; K264-S266 PolarHBondContact O-N 3.44Å; S266-S269 WeakPolarHBondContact CA-OG 3.3Å; S266-S269 PolarHBondContact O-OG 3.38Å
267F75.1Confident70.2Confident156 Ų156132.6 Ų132.668%0.68462%0.62SS**Hα-helixtrans-80-43175.7-175.6-96.2000110.8R263 K264 E265 S269 S270R263-F267 WeakPolarHBondContact O-CB 3.23Å; R263-F267 PolarHBondContact O-N 3.36Å; K264-F267 PolarHBondContact O-N 2.96Å; K264-F267 VanDerWaalsContact O-N 3.1Å; E265-F267 VanDerWaalsContact C-N 3.32Å; E265-F267 PolarHBondContact O-N 2.86Å; F267-S269 VanDerWaalsContact C-N 3.3Å; F267-S269 PolarHBondContact O-N 3.39Å; F267-S270 WeakPolarHBondContact O-CB 3.43Å; F267-S270 PolarHBondContact O-N 3.4Å
268E72.7Confident68Low112 Ų112133.1 Ų133.152%0.52363%0.626SS.*Hα-helixtrans-67.6-27.4174.9-71.8172.8-171.600112.6K264 E265 S270K264-E268 VanDerWaalsContact CE-OE1 3.32Å; K264-E268 WeakPolarHBondContact CE-OE1 3.25Å; K264-E268 IonicContact NZ-OE1 3.94Å; K264-E268 PolarHBondContact NZ-OE1 3.16Å; K264-E268 PolarHBondContact O-N 2.84Å; E265-E268 PolarHBondContact O-N 3.32Å; E268-S270 VanDerWaalsContact C-N 3.33Å
269S65.1Low66Low89 Ų89132.8 Ų132.862%0.62263%0.634SS**THydrogen-bonded Turntrans-82.4-1.1174.372.90000114.8E265 S266 F267E265-S269 WeakPolarHBondContact O-CB 3.44Å; E265-S269 PolarHBondContact O-N 3.46Å; E265-S269 PolarHBondContact O-OG 2.93Å; S266-S269 WeakPolarHBondContact CA-OG 3.3Å; S266-S269 PolarHBondContact O-OG 3.38Å; F267-S269 VanDerWaalsContact C-N 3.3Å; F267-S269 PolarHBondContact O-N 3.39Å
270S56.4Low63.7Low52 Ų52135 Ų13536%0.36465%0.648SS.*  trans-76124.1177.9-177.50000111F267 E268 H272 S273F267-S270 WeakPolarHBondContact O-CB 3.43Å; F267-S270 PolarHBondContact O-N 3.4Å; E268-S270 VanDerWaalsContact C-N 3.33Å; S270-H272 PolarHBondContact O-N 3.48Å; S270-S273 PolarHBondContact O-N 3.16Å
271P56.9Low61.4Low107 Ų107129.4 Ų129.470%0.69565%0.653SS**THydrogen-bonded Turntrans-61.2-18.2-175.5-25.334.7000115.4
272H51.6Low59Low152 Ų152127.1 Ų127.170%0.70466%0.664SS**Hα-helixtrans-77.1-23.5-174.2-81.2-75.2000114.9S270 R274S270-H272 PolarHBondContact O-N 3.48Å; H272-R274 PolarHBondContact O-N 3.31Å
273S49.1Very low56.7Low59 Ų59123.9 Ų123.941%0.41367%0.672SS.*Hα-helixtrans-71.4-29.4-179.269.40000113.1S270S270-S273 PolarHBondContact O-N 3.16Å
274R47.7Very low55Low208 Ų208121.5 Ų121.579%0.78569%0.687SS**Hα-helixtrans-74.2-30.3178-83.1-175.8167136.3-3.1113.9H272H272-R274 PolarHBondContact O-N 3.31Å
275K45Very low52.6Low160 Ų160119.7 Ų119.770%0.69669%0.691SS**Hα-helixtrans-72.8-29.5178.8-82.9-171.9171.9-176.30113.3L277K275-L277 PolarHBondContact O-N 3.28Å
276A46Very low50.8Low87 Ų87125.8 Ų125.872%0.71972%0.716SS**THydrogen-bonded Turntrans-71.1-15.6-18000000114.4
277L49.3Very low48.9Very low160 Ų160128.4 Ų128.484%0.83873%0.725SS**THydrogen-bonded Turntrans-109.73.1-176.2-105.4151.8000114.1K275K275-L277 PolarHBondContact O-N 3.28Å
278Q42.9Very low47.9Very low173 Ų173127.3 Ų127.381%0.80873%0.731SS**SBendtrans-110.40.2177.2-105.1-179.1-8.600114.3
279V46.8Very low46.8Very low124 Ų124127.5 Ų127.575%0.75274%0.735SS**SBendtrans-123.266-179.2-167.60000111.5
280K39.5Very low46.3Very low214 Ų214129.7 Ų129.793%0.9374%0.738SS**  trans-171.589.3144.4-111.2-178.9178.3-174.70109.6
281G38.5Very low45.6Very low84 Ų84134.1 Ų134.187%0.86675%0.751SS**  trans-135.443.1-178.900000112.9
282S38.2Very low45.2Very low123 Ų123131.9 Ų131.986%0.8674%0.738SS**SBendtrans-175.296.9156-170.90000110.9
283A36.7Very low44.9Very low95 Ų95133.3 Ų133.379%0.78574%0.743SS**  trans176.9131152.900000107.6
284A47.6Very low44.7Very low113 Ų113137.6 Ų137.693%0.93476%0.76SS**  trans-74.3133-173.700000112.8
285S35.4Very low44.7Very low95 Ų95132 Ų13266%0.66475%0.753SS**  trans-142133.8155.6450000108.9D287S285-D287 PolarHBondContact O-N 3.37Å
286K46.6Very low44.7Very low207 Ų207133.3 Ų133.390%0.976%0.759SS**  trans-89.573.1176.5-80.1-178.1173.2177.10109.6V288K286-V288 PolarHBondContact O-N 3.07Å
287D41Very low44.8Very low127 Ų127136.2 Ų136.268%0.67976%0.755SS**  trans-8596.2172.9-70.4-44.9000110.7S285 N289S285-D287 PolarHBondContact O-N 3.37Å; D287-N289 PolarHBondContact O-N 2.85Å; D287-N289 VanDerWaalsContact O-N 3.12Å
288V53.9Low44.7Very low133 Ų133136.9 Ų136.981%0.80675%0.754SS**  trans-71.2103.4174.9179.50000109K286 I290K286-V288 PolarHBondContact O-N 3.07Å; V288-I290 PolarHBondContact O-N 3.27Å
289N49.2Very low45.2Very low115 Ų115134.6 Ų134.662%0.61574%0.744SS**  trans-70.496.5175.1-93.1-89.3000110.9D287 F291 S292D287-N289 PolarHBondContact O-N 2.85Å; D287-N289 VanDerWaalsContact O-N 3.12Å; N289-F291 PolarHBondContact O-N 3.06Å; N289-F291 VanDerWaalsContact O-N 3.14Å; N289-S292 VanDerWaalsContact O-CB 3.28Å; N289-S292 WeakPolarHBondContact O-CB 3.47Å; N289-S292 PolarHBondContact O-N 3.41Å; N289-S292 PolarHBondContact O-OG 2.92Å
290I53.6Low45.7Very low135 Ų135133.1 Ų133.169%0.69274%0.735SS**G310 helixtrans-58-26178.8-161.7164.7000113.3V288V288-I290 PolarHBondContact O-N 3.27Å
291F42.8Very low46.1Very low146 Ų146131.7 Ų131.764%0.6473%0.725SS**G310 helixtrans-87.34.6177.1-61.2-65.9000115N289 F293 L294N289-F291 PolarHBondContact O-N 3.06Å; N289-F291 VanDerWaalsContact O-N 3.14Å; F291-F293 PolarHBondContact O-N 2.87Å; F291-F293 VanDerWaalsContact O-N 3.16Å; F291-L294 HydrophobicContact CD1-CD1 4.03Å; F291-L294 PolarHBondContact O-N 2.95Å
292S48.2Very low46.9Very low60 Ų60132.7 Ų132.742%0.4271%0.71SS.*G310 helixtrans-58.6-26.5176.455.70000113.5N289 L294 S295N289-S292 VanDerWaalsContact O-CB 3.28Å; N289-S292 WeakPolarHBondContact O-CB 3.47Å; N289-S292 PolarHBondContact O-N 3.41Å; N289-S292 PolarHBondContact O-OG 2.92Å; S292-L294 VanDerWaalsContact C-N 3.33Å; S292-L294 PolarHBondContact O-N 3.02Å; S292-S295 PolarHBondContact O-N 3.44Å; S292-S295 PolarHBondContact O-OG 3.29Å; S292-S295 VanDerWaalsContact O-OG 3.14Å
293F45.8Very low48.5Very low181 Ų181129.4 Ų129.479%0.79468%0.683SS**G310 helixtrans-67-27.6173.4-80.7-87.8000114F291F291-F293 PolarHBondContact O-N 2.87Å; F291-F293 VanDerWaalsContact O-N 3.16Å
294L44Very low50.1Low149 Ų149128.5 Ų128.578%0.7867%0.665SS**G310 helixtrans-85.4-13.4177.3-65.6179000113.4F291 S292F291-L294 HydrophobicContact CD1-CD1 4.03Å; F291-L294 PolarHBondContact O-N 2.95Å; S292-L294 VanDerWaalsContact C-N 3.33Å; S292-L294 PolarHBondContact O-N 3.02Å
295S46.7Very low50.9Low92 Ų92127.4 Ų127.464%0.64364%0.642SS**G310 helixtrans-93.5-0.5178.369.30000114.2S292 K297S292-S295 PolarHBondContact O-N 3.44Å; S292-S295 PolarHBondContact O-OG 3.29Å; S292-S295 VanDerWaalsContact O-OG 3.14Å; S295-K297 PolarHBondContact O-N 3.12Å
296K45.2Very low52.4Low186 Ų186128.9 Ų128.981%0.80964%0.637SS**  trans-7772.5-179.5-142.5180-171.9-174.80110.1E298K296-E298 PolarHBondContact O-N 3.43Å; K296-E298 VanDerWaalsContact O-N 3.08Å
297K48.4Very low53.7Low149 Ų149124.2 Ų124.265%0.64862%0.618SS**  trans-53.5114.1172.1-177-166.3173.7-123.60108.3S295 E299 D303S295-K297 PolarHBondContact O-N 3.12Å; K297-E299 PolarHBondContact O-N 3.45Å; K297-D303 IonicContact NZ-OD2 3.09Å; K297-D303 PolarHBondContact NZ-OD2 3.43Å; K297-D303 VanDerWaalsContact NZ-OD2 3.09Å
298E47.5Very low55.1Low173 Ų173123.7 Ų123.781%0.80861%0.614SS**  trans-58.5119.3-179.8-162.1166.5-14100110K296 T300K296-E298 PolarHBondContact O-N 3.43Å; K296-E298 VanDerWaalsContact O-N 3.08Å; E298-T300 PolarHBondContact O-N 2.87Å
299E52.7Low55.7Low126 Ų126119 Ų11959%0.58959%0.593SS**  trans-74.592.5-176.7-68.7-164.5154.200109.7K297K297-E299 PolarHBondContact O-N 3.45Å
300T57.3Low56.6Low92 Ų92121.6 Ų121.656%0.56460%0.599SS**  trans-59.6144.3176.6-31.10000110.3E298 N302 D303E298-T300 PolarHBondContact O-N 2.87Å; T300-N302 PolarHBondContact O-N 3Å; T300-D303 PolarHBondContact O-N 3.27Å
301Y48.3Very low57.2Low185 Ų185122.6 Ų122.673%0.72560%0.598SS**Hα-helixtrans-43.9-33.6-176.8-156.2-99.1000115.1D303 L304 I305Y301-D303 PolarHBondContact O-N 3.25Å; Y301-L304 PolarHBondContact O-N 3.39Å; Y301-I305 HydrophobicContact CD1-CD1 3.72Å; Y301-I305 HydrophobicContact CD1-CG1 4.38Å; Y301-I305 HydrophobicContact CE1-CD1 3.91Å; Y301-I305 HydrophobicContact CE1-CG1 4.48Å; Y301-I305 WeakPolarHBondContact O-CG1 3.35Å; Y301-I305 PolarHBondContact O-N 3.46Å
302N55.6Low57.9Low105 Ų105118.5 Ų118.556%0.56159%0.591SS**Hα-helixtrans-65.9-25.8175.8-87.6-65.7000115.7T300 K306T300-N302 PolarHBondContact O-N 3Å; N302-K306 WeakPolarHBondContact O-CE 3.47Å; N302-K306 WeakPolarHBondContact O-CG 3.49Å; N302-K306 PolarHBondContact O-N 3.47Å
303D71.7Confident58.1Low54 Ų54123.3 Ų123.329%0.28961%0.609SS.*Hα-helixtrans-83.5-33.6177.9-75.8-16.5000111K297 T300 Y301 K306 Q307K297-D303 IonicContact NZ-OD2 3.09Å; K297-D303 PolarHBondContact NZ-OD2 3.43Å; K297-D303 VanDerWaalsContact NZ-OD2 3.09Å; T300-D303 PolarHBondContact O-N 3.27Å; Y301-D303 PolarHBondContact O-N 3.25Å; D303-K306 PolarHBondContact O-N 3.5Å; D303-K306 IonicContact OD1-NZ 2.88Å; D303-K306 PolarHBondContact OD1-NZ 3.13Å; D303-Q307 PolarHBondContact O-N 2.83Å
304L69.7Low58.3Low75 Ų75123.4 Ų123.439%0.39361%0.609SS.*Hα-helixtrans-58.5-49.3168.1-85.7148.5000112.1Y301 K306 Q307 I308Y301-L304 PolarHBondContact O-N 3.39Å; L304-K306 VanDerWaalsContact C-N 3.29Å; L304-K306 PolarHBondContact O-N 3.08Å; L304-Q307 WeakPolarHBondContact O-CB 3.44Å; L304-Q307 PolarHBondContact O-N 3.37Å; L304-I308 WeakPolarHBondContact O-CG1 3.43Å; L304-I308 PolarHBondContact O-N 2.83Å
305I65.1Low58.6Low91 Ų91122.3 Ų122.347%0.46761%0.609SS.*Hα-helixtrans-56.4-43177.1-68.3168.2000111.4Y301 Q307 I308 G309Y301-I305 HydrophobicContact CD1-CD1 3.72Å; Y301-I305 HydrophobicContact CD1-CG1 4.38Å; Y301-I305 HydrophobicContact CE1-CD1 3.91Å; Y301-I305 HydrophobicContact CE1-CG1 4.48Å; Y301-I305 WeakPolarHBondContact O-CG1 3.35Å; Y301-I305 PolarHBondContact O-N 3.46Å; I305-Q307 VanDerWaalsContact C-N 3.33Å; I305-Q307 PolarHBondContact O-N 3.41Å; I305-I308 PolarHBondContact O-N 3.04Å; I305-G309 PolarHBondContact O-N 2.88Å; I305-G309 VanDerWaalsContact O-N 3.08Å
306K67.9Low58.8Low126 Ų126123.1 Ų123.155%0.54862%0.615SS.*Hα-helixtrans-65.6-36.1176.1-69.6169.6-156.4150.70112.3N302 D303 L304 K310N302-K306 WeakPolarHBondContact O-CE 3.47Å; N302-K306 WeakPolarHBondContact O-CG 3.49Å; N302-K306 PolarHBondContact O-N 3.47Å; D303-K306 PolarHBondContact O-N 3.5Å; D303-K306 IonicContact OD1-NZ 2.88Å; D303-K306 PolarHBondContact OD1-NZ 3.13Å; L304-K306 VanDerWaalsContact C-N 3.29Å; L304-K306 PolarHBondContact O-N 3.08Å; K306-K310 WeakPolarHBondContact O-CB 3.37Å; K306-K310 PolarHBondContact O-N 2.96Å
307Q73.3Confident58.8Low108 Ų108117.5 Ų117.551%0.50561%0.609SS.*Hα-helixtrans-67.9-41.2179.8-139.1-173.443.800111.3D303 L304 I305 K310 K311D303-Q307 PolarHBondContact O-N 2.83Å; L304-Q307 WeakPolarHBondContact O-CB 3.44Å; L304-Q307 PolarHBondContact O-N 3.37Å; I305-Q307 VanDerWaalsContact C-N 3.33Å; I305-Q307 PolarHBondContact O-N 3.41Å; Q307-K310 PolarHBondContact O-N 2.99Å; Q307-K311 PolarHBondContact O-N 3.2Å
308I70.5Confident58.2Low116 Ų116114.4 Ų114.460%0.59562%0.619SS**Hα-helixtrans-61.1-50.8174-65.5165.1000110.3L304 I305 K310 K311 A312L304-I308 WeakPolarHBondContact O-CG1 3.43Å; L304-I308 PolarHBondContact O-N 2.83Å; I305-I308 PolarHBondContact O-N 3.04Å; I308-K310 VanDerWaalsContact C-N 3.27Å; I308-K310 PolarHBondContact O-N 3.38Å; I308-K311 PolarHBondContact O-N 3.04Å; I308-K311 VanDerWaalsContact O-N 3.11Å; I308-A312 PolarHBondContact O-N 3.15Å
309G66.8Low57.8Low36 Ų36109.8 Ų109.837%0.37162%0.619SS.*Hα-helixtrans-58.5-36.7175.900000113.4I305 M313I305-G309 PolarHBondContact O-N 2.88Å; I305-G309 VanDerWaalsContact O-N 3.08Å; G309-M313 PolarHBondContact O-N 2.75Å; G309-M313 VanDerWaalsContact O-N 3.16Å
310K68.4Low56.9Low168 Ų168113.6 Ų113.673%0.7364%0.636SS**Hα-helixtrans-70.1-33.2176.1-124.1178.3-178.9-178.80113.6K306 Q307 I308 K314K306-K310 WeakPolarHBondContact O-CB 3.37Å; K306-K310 PolarHBondContact O-N 2.96Å; Q307-K310 PolarHBondContact O-N 2.99Å; I308-K310 VanDerWaalsContact C-N 3.27Å; I308-K310 PolarHBondContact O-N 3.38Å; K310-K314 PolarHBondContact O-N 3.15Å
311K65.8Low55.8Low157 Ų157116.2 Ų116.268%0.68365%0.652SS**Hα-helixtrans-69.6-48173.2-90.3-175.1172.8179.70110.9Q307 I308 M313 K314 T315Q307-K311 PolarHBondContact O-N 3.2Å; I308-K311 PolarHBondContact O-N 3.04Å; I308-K311 VanDerWaalsContact O-N 3.11Å; K311-M313 VanDerWaalsContact C-N 3.3Å; K311-M313 PolarHBondContact O-N 3.47Å; K311-K314 PolarHBondContact O-N 3.43Å; K311-T315 PolarHBondContact O-N 2.72Å; K311-T315 PolarHBondContact O-OG1 2.9Å
312A57.5Low54.8Low60 Ų60110.8 Ų110.850%0.49665%0.653SS.*Hα-helixtrans-58.8-38179.900000113.2I308 K314 T315I308-A312 PolarHBondContact O-N 3.15Å; A312-K314 VanDerWaalsContact C-N 3.31Å; A312-K314 PolarHBondContact O-N 2.96Å; A312-T315 PolarHBondContact O-OG1 3.35Å; A312-T315 VanDerWaalsContact O-OG1 3.07Å
313M51.4Low54Low161 Ų161112.2 Ų112.279%0.79367%0.668SS**Hα-helixtrans-70.2-23.7173.9-74.8-175.3168.100113.8G309 K311G309-M313 PolarHBondContact O-N 2.75Å; G309-M313 VanDerWaalsContact O-N 3.16Å; K311-M313 VanDerWaalsContact C-N 3.3Å; K311-M313 PolarHBondContact O-N 3.47Å
314K50.9Low52Low182 Ų182113 Ų11379%0.79169%0.689SS**Hα-helixtrans-84.9-23.2-177.6-132-176.1-179.4-164.60113.3K310 K311 A312 S316K310-K314 PolarHBondContact O-N 3.15Å; K311-K314 PolarHBondContact O-N 3.43Å; A312-K314 VanDerWaalsContact C-N 3.31Å; A312-K314 PolarHBondContact O-N 2.96Å; K314-S316 VanDerWaalsContact C-N 3.33Å
315T50.8Low50.4Low126 Ų126116 Ų11677%0.77371%0.713SS**THydrogen-bonded Turntrans-83.4-4.3174.642.80000114K311 A312K311-T315 PolarHBondContact O-N 2.72Å; K311-T315 PolarHBondContact O-OG1 2.9Å; A312-T315 PolarHBondContact O-OG1 3.35Å; A312-T315 VanDerWaalsContact O-OG1 3.07Å
316S49.4Very low48.7Very low110 Ų110115 Ų11577%0.76973%0.725SS**THydrogen-bonded Turntrans-11113-176.9-151.60000113.8K314K314-S316 VanDerWaalsContact C-N 3.33Å
317G46.9Very low46.8Very low67 Ų67117.7 Ų117.769%0.69174%0.744SS**SBendtrans-151.274.7-170.900000113.7
318G33.8Very low44.6Very low84 Ų84116.1 Ų116.187%0.86676%0.757SS**  trans158.594.817600000110.4
319G39.3Very low43.7Very low77 Ų77116.2 Ų116.279%0.79477%0.765SS**  trans-107.6-179.9177.400000111.9
320E34Very low42Very low205 Ų205124.4 Ų124.496%0.95879%0.794SS**  trans-152.3143.6171.3-121.8164-157.900112
321T33.8Very low40.1Very low147 Ų147120 Ų12090%0.90280%0.797SS**  trans-104.6133.4-178.743.60000110.9
322G28.2Very low38.3Very low71 Ų71117 Ų11773%0.73281%0.809SS**  trans-155.4150.6171.300000111.5
323P39Very low36.9Very low136 Ų136117.6 Ų117.688%0.88382%0.821SS**  trans-81.5159.9-16632.5-36000114.8
324G29.3Very low35.9Very low71 Ų71118 Ų11873%0.73283%0.826SS**  trans-72.8-171.7-175.900000115.9
325P37.1Very low35.4Very low137 Ų137114.5 Ų114.589%0.8982%0.822SS**  -147.9165.162.940.1-22.5000118
326G27.7Very low34.7Very low70 Ų70113.4 Ų113.472%0.72283%0.826SS**  trans101.7139.7136.300000121
327L29.5Very low33.9Very low183 Ų183116 Ų11696%0.95883%0.83SS**  trans76.7111.2152.2-67.6158.1000121.7
328G27Very low33.4Very low74 Ų74117.4 Ų117.476%0.76383%0.827SS**  96.6128.811700000119
329P50.9Low33.6Very low119 Ų119120.1 Ų120.177%0.77383%0.829SS**  trans-105.6145.1-176.538.6-32.8000115.7
330Q30.7Very low33.5Very low207 Ų207121 Ų12197%0.96782%0.824SS**  trans173.2154.2152.5-98.6157.2100.200106.7
331G28.3Very low33.8Very low77 Ų77119.2 Ų119.279%0.79482%0.82SS**  cis149.7133.84.300000108.6
332G28.7Very low33.7Very low92 Ų92116.3 Ų116.395%0.94881%0.811SS**  trans108.7124.117900000114.1
333G28Very low33.9Very low73 Ų73119.3 Ų119.375%0.75382%0.817SS**  trans-133.3175177.400000111.7
334L31.5Very low33.7Very low170 Ų170120.4 Ų120.489%0.8982%0.815SS**  trans-177.5162.4165.7-104.8161.5000108.4
335P40Very low33.7Very low109 Ų109122.3 Ų122.371%0.70881%0.812SS**  -106171.1-94.537.1-29.4000114.5
336A35.6Very low33.3Very low103 Ų103122.4 Ų122.485%0.85181%0.81SS**PPolyproline II helixtrans-71137.2179.600000113.3
337L33.3Very low33.3Very low164 Ų164129.3 Ų129.386%0.85982%0.816SS**PPolyproline II helixtrans-82.3153.6164.5-94.495.1000111.6
338P35.3Very low33.3Very low96 Ų96126 Ų12662%0.62381%0.808SS**PPolyproline II helixtrans-71.8156.1-173.328.8-36.2000114.3S340P338-S340 PolarHBondContact O-N 3.48Å
339P38.2Very low33.7Very low141 Ų141131.3 Ų131.392%0.91681%0.81SS**SBendtrans-81.876.4-176.134.6-36.4000112.2
340S38.5Very low33.1Very low97 Ų97133 Ų13368%0.67881%0.812SS**  trans-130.1-2.2175.161.50000115.7P338P338-S340 PolarHBondContact O-N 3.48Å
341L39.3Very low33.3Very low166 Ų166133.6 Ų133.687%0.86981%0.806SS**  trans-134.377.7178.9-74.8171.4000112.6
342A31.4Very low33.9Very low87 Ų87136.4 Ų136.472%0.71981%0.807SS**  trans-123.1106.1166.100000109.9L344A342-L344 PolarHBondContact O-N 3.34Å
343P33.4Very low34.4Very low133 Ų133135.8 Ų135.886%0.86479%0.786SS**  trans-76.692.6178.629.9-33000110.9V345P343-V345 PolarHBondContact O-N 2.95Å
344L34.5Very low35.2Very low159 Ų159136.6 Ų136.683%0.83278%0.777SS**  trans-93.868.9-176.1-151167.4000111.7A342A342-L344 PolarHBondContact O-N 3.34Å
345V28.6Very low35.6Very low112 Ų112135.6 Ų135.668%0.67977%0.772SS**  trans-138.2102.5166.8-175.10000111.5P343 Y347P343-V345 PolarHBondContact O-N 2.95Å; V345-Y347 HydrophobicContact CG1-CD2 4.01Å; V345-Y347 HydrophobicContact CG1-CE2 4.02Å
346V29.6Very low35.6Very low139 Ų139136.8 Ų136.884%0.84277%0.768SS**  trans-83.6116166176.10000108.8S348V346-S348 PolarHBondContact O-N 2.96Å; V346-S348 VanDerWaalsContact O-N 3.07Å
347Y27.3Very low36Very low215 Ų215135.5 Ų135.584%0.84374%0.744SS**  trans-77.292.3174.4-99.6-87.6000111.5V345 K349V345-Y347 HydrophobicContact CG1-CD2 4.01Å; V345-Y347 HydrophobicContact CG1-CE2 4.02Å; Y347-K349 PolarHBondContact O-N 3.26Å
348S29.2Very low36.5Very low114 Ų114131 Ų13180%0.79772%0.724SS**  trans-74.6120.4163.8-175.20000110.2V346V346-S348 PolarHBondContact O-N 2.96Å; V346-S348 VanDerWaalsContact O-N 3.07Å
349K36.1Very low36.8Very low185 Ų185128.8 Ų128.880%0.80471%0.71SS**  trans-100.891.3-174.9-173.7-177.5-175.5178.30110.3Y347Y347-K349 PolarHBondContact O-N 3.26Å
350N38.6Very low36.9Very low154 Ų154128.5 Ų128.582%0.82470%0.697SS**  trans163.279.9145.7-82.6-17.4000112.9
351R34.2Very low36.9Very low219 Ų219128.1 Ų128.183%0.82669%0.691SS**  trans-160.8143.1150.6-127179-178.6-150.4-0.3109.6E357R351-E357 IonicContact NH1-OE1 2.81Å
352V40Very low36.9Very low136 Ų136126.7 Ų126.782%0.82468%0.683SS**  trans-112.5116.7165.71790000105.5
353P39.7Very low37.2Very low79 Ų79132.3 Ų132.351%0.51369%0.686SS.*  trans-73.6151.2-177.929.9-33.8000111.4E357P353-E357 VanDerWaalsContact CA-OE2 3.31Å; P353-E357 WeakPolarHBondContact CA-OE2 3.47Å; P353-E357 VanDerWaalsContact CB-OE2 3.25Å; P353-E357 WeakPolarHBondContact CB-OE2 3.4Å
354T45.8Very low37.4Very low90 Ų90130.4 Ų130.455%0.55268%0.675SS**  trans-88.2158.9177.639.30000112.1E356 E357T354-E356 VanDerWaalsContact C-N 3.28Å; T354-E356 PolarHBondContact O-N 3.17Å; T354-E357 PolarHBondContact N-OE2 3.12Å; T354-E357 PolarHBondContact O-N 3.28Å
355L39Very low37.5Very low149 Ų149131.8 Ų131.878%0.7868%0.675SS**Hα-helixtrans-58.6-34.7-170.9-162.769.6000113.2E357 V358 S359L355-E357 PolarHBondContact O-N 3.44Å; L355-V358 PolarHBondContact O-N 3.03Å; L355-S359 PolarHBondContact O-N 3.42Å
356E40.9Very low37.9Very low135 Ų135129.2 Ų129.263%0.63167%0.67SS**Hα-helixtrans-55.1-46.5170.8-92.277.8-166.500113.8T354 V358 S359 Q360T354-E356 VanDerWaalsContact C-N 3.28Å; T354-E356 PolarHBondContact O-N 3.17Å; E356-V358 VanDerWaalsContact C-N 3.31Å; E356-V358 PolarHBondContact O-N 3.18Å; E356-S359 WeakPolarHBondContact O-CB 3.49Å; E356-S359 PolarHBondContact O-N 3.05Å; E356-S359 VanDerWaalsContact O-N 3.1Å; E356-S359 PolarHBondContact O-OG 3.47Å; E356-Q360 PolarHBondContact O-N 2.9Å
357E42.8Very low37.8Very low75 Ų75131.7 Ų131.735%0.3567%0.672SS.*Hα-helixtrans-63.4-38.6-175.6-68.9179.8134.700110.9R351 P353 T354 L355 Q360 T361R351-E357 IonicContact NH1-OE1 2.81Å; P353-E357 VanDerWaalsContact CA-OE2 3.31Å; P353-E357 WeakPolarHBondContact CA-OE2 3.47Å; P353-E357 VanDerWaalsContact CB-OE2 3.25Å; P353-E357 WeakPolarHBondContact CB-OE2 3.4Å; T354-E357 PolarHBondContact N-OE2 3.12Å; T354-E357 PolarHBondContact O-N 3.28Å; L355-E357 PolarHBondContact O-N 3.44Å; E357-Q360 PolarHBondContact O-N 2.91Å; E357-T361 PolarHBondContact O-N 2.98Å; E357-T361 PolarHBondContact O-OG1 3.39Å
358V44Very low37.9Very low71 Ų71128.6 Ų128.643%0.4368%0.676SS.*Hα-helixtrans-65.6-40.7175.2-175.90000110.8L355 E356 Q360 T361 L362L355-V358 PolarHBondContact O-N 3.03Å; E356-V358 VanDerWaalsContact C-N 3.31Å; E356-V358 PolarHBondContact O-N 3.18Å; V358-Q360 PolarHBondContact O-N 2.9Å; V358-T361 PolarHBondContact O-N 2.86Å; V358-L362 HydrophobicContact CG1-CD1 4.43Å; V358-L362 PolarHBondContact O-N 3.11Å
359S42.5Very low37.8Very low49 Ų49128.4 Ų128.434%0.34367%0.674SS.*Hα-helixtrans-66.6-34179.583.80000113.7L355 E356 R363L355-S359 PolarHBondContact O-N 3.42Å; E356-S359 WeakPolarHBondContact O-CB 3.49Å; E356-S359 PolarHBondContact O-N 3.05Å; E356-S359 VanDerWaalsContact O-N 3.1Å; E356-S359 PolarHBondContact O-OG 3.47Å; S359-R363 PolarHBondContact O-N 3.38Å
360Q39.3Very low37.2Very low135 Ų135130.5 Ų130.563%0.63168%0.677SS**Hα-helixtrans-74.7-38.5178.1-73-177.9-16.600111.5E356 E357 V358 L362 R363 S364E356-Q360 PolarHBondContact O-N 2.9Å; E357-Q360 PolarHBondContact O-N 2.91Å; V358-Q360 PolarHBondContact O-N 2.9Å; Q360-L362 VanDerWaalsContact C-N 3.29Å; Q360-L362 PolarHBondContact O-N 3.18Å; Q360-R363 PolarHBondContact O-N 3.19Å; Q360-R363 VanDerWaalsContact O-N 3.1Å; Q360-S364 PolarHBondContact O-N 3Å
361T39.7Very low36.9Very low89 Ų89128.6 Ų128.655%0.54667%0.673SS.*Hα-helixtrans-66.5-30.9178.8-460000112.5E357 V358 S364E357-T361 PolarHBondContact O-N 2.98Å; E357-T361 PolarHBondContact O-OG1 3.39Å; V358-T361 PolarHBondContact O-N 2.86Å; T361-S364 PolarHBondContact O-OG 3.17Å
362L37.9Very low37.1Very low136 Ų136122.6 Ų122.671%0.71266%0.663SS**Hα-helixtrans-73.2-31.8172-73.7167.9000112.5V358 Q360V358-L362 HydrophobicContact CG1-CD1 4.43Å; V358-L362 PolarHBondContact O-N 3.11Å; Q360-L362 VanDerWaalsContact C-N 3.29Å; Q360-L362 PolarHBondContact O-N 3.18Å
363R38.1Very low36.4Very low205 Ų205123.2 Ų123.277%0.77466%0.661SS**Hα-helixtrans-77.2-20.2-177.8-143.4-178.1-62.1-160.42113.6S359 Q360S359-R363 PolarHBondContact O-N 3.38Å; Q360-R363 PolarHBondContact O-N 3.19Å; Q360-R363 VanDerWaalsContact O-N 3.1Å
364S37.9Very low35.9Very low93 Ų93128 Ų12865%0.6568%0.677SS**THydrogen-bonded Turntrans-91.3-4.3-175.664.40000115.7Q360 T361Q360-S364 PolarHBondContact O-N 3Å; T361-S364 PolarHBondContact O-OG 3.17Å
365K37.1Very low35.1Very low188 Ų188132.5 Ų132.582%0.81769%0.691SS**SBendtrans-101.9-0.8-177.2-82.4-168.5171.4-172.50115.7
366G35.3Very low34.5Very low57 Ų57129.6 Ų129.659%0.58869%0.689SS**  trans-103.763.7-176.400000114.6
367H28.8Very low33.9Very low191 Ų191129.8 Ų129.888%0.88470%0.699SS**  trans-152.6121165.1-88.7-47.9000113.9
368V28.5Very low33.3Very low151 Ų151130.3 Ų130.392%0.91572%0.716SS**  trans-132.4134.2154.3177.10000107.3
369S27.1Very low32.5Very low109 Ų109138.9 Ų138.976%0.76274%0.741SS**  trans-109.5166-176.657.90000111.8
370R24.5Very low31.8Very low229 Ų229140.8 Ų140.886%0.86476%0.76SS**  cis-157.5-162.412.3-130.3179.8163.2150.7-6.7105.7
371P31.7Very low32.2Very low115 Ų115140 Ų14075%0.74777%0.766SS**  cis-124.4-166.3-1.743.3-24.5000113.4
372P37.9Very low31.7Very low93 Ų93144.5 Ų144.560%0.60478%0.781SS**  trans-109.8164.3172.638.8-28.4000114.4
373D26.6Very low31.3Very low148 Ų148146.3 Ų146.379%0.79179%0.792SS**  161.8150.9125-76.5-25000114.3
374E28.2Very low30.9Very low179 Ų179140.2 Ų140.284%0.83679%0.793SS**  trans59.4124.2157.8-68.4-179.2157.900126.6
375E28.5Very low30.5Very low185 Ų185141.4 Ų141.486%0.86480%0.801SS**  trans43.6144.5135.3-59.5-156.9139.800128.1
376A27.2Very low30.3Very low89 Ų89138.4 Ų138.474%0.73680%0.8SS**  trans88.1109.4138.800000125
377V28.4Very low30.2Very low139 Ų139140.3 Ų140.384%0.84281%0.811SS**  51.2107.5124.3-172.90000122.8
378A30.6Very low30.3Very low85 Ų85137 Ų13770%0.70281%0.806SS**  trans49.1122.9135.700000124.7
379R25.6Very low30.5Very low251 Ų251138 Ų13895%0.94780%0.801SS**  171.5171.6121.8-94.4177.3-161.6161.67.5112.5
380A29.4Very low30.8Very low90 Ų90139.1 Ų139.174%0.74480%0.803SS**  trans-144.2179.8173.500000108.9
381P47.7Very low31.1Very low117 Ų117136.9 Ų136.976%0.7680%0.8SS**  cis-135.3-167.8-5.731.4-6.9000115.2
382E28.8Very low31.1Very low185 Ų185138.8 Ų138.886%0.86480%0.801SS**  trans102125.1154.4-56.7-149149.700122.9
383D30.5Very low30.7Very low174 Ų174141.3 Ų141.393%0.9381%0.809SS**  trans46.9125.9157.3-96.72.6000124.6
384G28.8Very low31.2Very low77 Ų77141.5 Ų141.579%0.79481%0.805SS**  trans147.9123.717100000113.4
385S29Very low31.6Very low118 Ų118140.4 Ų140.483%0.82580%0.804SS**  trans-77.6170.9173.6520000112.5
386P34.3Very low31.9Very low124 Ų124138 Ų13881%0.80580%0.797SS**  cis-121171-740.5-27.4000113.9
387A31.8Very low32.3Very low98 Ų98142.1 Ų142.181%0.8179%0.794SS**PPolyproline II helixtrans-95141.6174.400000112.8
388P31.5Very low32.6Very low121 Ų121143.6 Ų143.679%0.78680%0.795SS**PPolyproline II helixtrans-85.2158.418034.4-35.2000113.9
389E33.3Very low33Very low172 Ų172144.5 Ų144.580%0.80480%0.797SS**PPolyproline II helixtrans-60.9129.8-171.8-58.9173.512400114.5
390V31.9Very low33.7Very low132 Ų132141.4 Ų141.480%0.879%0.793SS**  trans-108.4108.3160.3177.30000108.4M392V390-M392 PolarHBondContact O-N 3.06Å
391F30.7Very low33.9Very low183 Ų183144.6 Ų144.680%0.80379%0.792SS**  trans-65.9102.5177.6-107.7-102.7000111.1
392M31.5Very low33.3Very low155 Ų155145.4 Ų145.476%0.76480%0.799SS**  trans-77155.9167.7-78.1-165.375.400112.1V390V390-M392 PolarHBondContact O-N 3.06Å
393N30.2Very low33.5Very low146 Ų146144.2 Ų144.278%0.78179%0.794SS**  trans-78.4131.8-171.8-151.52.3000111.4L395N393-L395 VanDerWaalsContact C-N 3.29Å; N393-L395 PolarHBondContact O-N 3.27Å
394Q37.7Very low33.6Very low151 Ų151141.2 Ų141.271%0.70678%0.783SS**THydrogen-bonded Turntrans-77.365.8-171.1-74.8-89.42.600113
395L36.5Very low33.9Very low156 Ų156149.5 Ų149.582%0.81779%0.791SS**THydrogen-bonded Turntrans-149.5-12.4171.3-109.4136.8000115.6N393N393-L395 VanDerWaalsContact C-N 3.29Å; N393-L395 PolarHBondContact O-N 3.27Å
396D35Very low34.1Very low136 Ų136150.9 Ų150.973%0.72779%0.789SS**SBendtrans-94.88.1175.1-75.4-38.1000113.9
397R35.7Very low34.3Very low174 Ų174149.6 Ų149.666%0.65779%0.789SS**  trans-109.547.3-171.7-157.9-165.7155-179.7-6.6114.5E401R397-E401 IonicContact NE-OE1 2.67Å; R397-E401 IonicContact NH2-OE1 3.82Å; R397-E401 PolarHBondContact NH2-OE1 3.28Å
398I34Very low34.6Very low171 Ų171152.9 Ų152.988%0.87779%0.787SS**SBendtrans-140.838.3163.7-36.7176.9000110.4
399S38.3Very low34.9Very low104 Ų104154.4 Ų154.473%0.72779%0.789SS**SBendtrans-118.8-20.7-177.7-54.50000113.7
400E40.7Very low34.8Very low186 Ų186157.1 Ų157.187%0.86979%0.794SS**SBendtrans-14485.4-176.9-67.9-174155.500110.6
401E33.2Very low34.8Very low157 Ų157159.1 Ų159.173%0.73479%0.794SS**  trans-158.1105.9156.6-107.8166.1-135.100105.9R397R397-E401 IonicContact NE-OE1 2.67Å; R397-E401 IonicContact NH2-OE1 3.82Å; R397-E401 PolarHBondContact NH2-OE1 3.28Å
402C35.2Very low34.8Very low133 Ų133155.1 Ų155.190%0.89979%0.786SS**  trans-105.688.5-175.9-175.30000109.4
403E33.6Very low35.1Very low161 Ų161155.3 Ų155.375%0.75279%0.79SS**  trans-95147.2170.9-76.8-66.2142.400110.6
404P33Very low35.2Very low110 Ų110154.7 Ų154.771%0.71479%0.785SS**  trans-74.4143.3-172.631.2-33.2000111.7D406P404-D406 PolarHBondContact O-N 3.26Å; P404-D406 VanDerWaalsContact O-N 3.17Å
405W34.6Very low35Very low252 Ų252156.8 Ų156.896%0.95579%0.792SS**  trans-70.3109.5175.3-74.272.7000110.3
406D32.8Very low34.8Very low146 Ų146157.3 Ų157.378%0.78179%0.79SS**  trans-73.1130.2172.8-155.6-11.5000110.2P404P404-D406 PolarHBondContact O-N 3.26Å; P404-D406 VanDerWaalsContact O-N 3.17Å
407A39.4Very low34.8Very low98 Ų98158.5 Ų158.581%0.8180%0.797SS**  trans-105.430.8-164.400000113
408Q38.5Very low34.7Very low166 Ų166154.3 Ų154.378%0.77680%0.799SS**  trans-125.777.1179.6-68.3-172.3-6.200111.5
409D36.5Very low34.5Very low154 Ų154152 Ų15282%0.82480%0.798SS**  trans-175.881.5141.8-96.8-19.4000110.1
410Y31.4Very low34.3Very low228 Ų228153 Ų15389%0.89479%0.794SS**  trans-131.3101168.9-122.7-89000110P412Y410-P412 WeakPolarHBondContact O-CD 3.46Å
411H32.6Very low33.7Very low175 Ų175150.3 Ų150.381%0.8179%0.791SS**  trans-89.7112.1166.2-78.6-54.4000109.6L413H411-L413 PolarHBondContact O-N 3.48Å
412P31.7Very low33.6Very low98 Ų98151.6 Ų151.664%0.63679%0.794SS**  trans-71.6118.8172.328.6-32.3000109.9Y410 I414Y410-P412 WeakPolarHBondContact O-CD 3.46Å; P412-I414 VanDerWaalsContact C-N 3.33Å; P412-I414 PolarHBondContact O-N 2.97Å
413L36.9Very low33.4Very low160 Ų160151.7 Ų151.784%0.83879%0.79SS**  trans-72.389.6167.6-76.2169.3000109.3H411 F415H411-L413 PolarHBondContact O-N 3.48Å; L413-F415 PolarHBondContact O-N 3.05Å
414I32.9Very low33.4Very low133 Ų133151.9 Ų151.968%0.68280%0.797SS**  trans-73.6114.2171.8-58.3174.7000108.2P412 Q416P412-I414 VanDerWaalsContact C-N 3.33Å; P412-I414 PolarHBondContact O-N 2.97Å; I414-Q416 HydrophobicContact CG2-CG 4.1Å; I414-Q416 PolarHBondContact O-N 3.49Å
415F31.9Very low33.6Very low195 Ų195151.1 Ų151.186%0.85580%0.799SS**  trans-77.7102.6161.7-72.1-85.4000108.4L413L413-F415 PolarHBondContact O-N 3.05Å
416Q32.6Very low33.6Very low167 Ų167148.2 Ų148.278%0.7880%0.796SS**  trans-74148.5164.6-78.8177.2-34.500110.1I414I414-Q416 HydrophobicContact CG2-CG 4.1Å; I414-Q416 PolarHBondContact O-N 3.49Å
417D36.3Very low33.5Very low161 Ų161146.5 Ų146.586%0.86180%0.802SS**  trans63.673.2171.4-57.2-16.8000117.8
418A33.1Very low32.9Very low86 Ų86145.8 Ų145.871%0.71181%0.805SS**  trans-118.794.5150.300000109.7I420A418-I420 PolarHBondContact O-N 3.07Å
419S29.9Very low32.4Very low122 Ų122146.4 Ų146.485%0.85381%0.812SS**  trans-7492.8177.245.90000111.3
420I33.3Very low32Very low124 Ų124144.5 Ų144.564%0.63681%0.811SS**  trans-95102175.3-57176.8000109.2A418 F422A418-I420 PolarHBondContact O-N 3.07Å; I420-F422 HydrophobicContact CB-CE2 4.28Å; I420-F422 HydrophobicContact CG2-CD2 4.15Å; I420-F422 HydrophobicContact CG2-CE1 4.31Å; I420-F422 HydrophobicContact CG2-CE2 3.67Å; I420-F422 HydrophobicContact CG2-CZ 3.76Å
421T28.8Very low31.9Very low131 Ų131141.1 Ų141.180%0.80481%0.808SS**  trans-81.8115.2169.9-0.20000109.9
422F29.8Very low31.8Very low183 Ų183141.9 Ų141.980%0.80381%0.812SS**  trans-83.9116.9172.4-68-90.1000109.8I420 N424I420-F422 HydrophobicContact CB-CE2 4.28Å; I420-F422 HydrophobicContact CG2-CD2 4.15Å; I420-F422 HydrophobicContact CG2-CE1 4.31Å; I420-F422 HydrophobicContact CG2-CE2 3.67Å; I420-F422 HydrophobicContact CG2-CZ 3.76Å; F422-N424 PolarHBondContact O-N 3.28Å
423V32.1Very low31.6Very low136 Ų136146 Ų14682%0.82482%0.823SS**  trans-81.9112.2171.6177.80000108.4
424N32.9Very low31Very low165 Ų165145.2 Ų145.288%0.88283%0.825SS**  trans-74.1130.9171.6-1288.1000109F422F422-N424 PolarHBondContact O-N 3.28Å
425A37.1Very low30.6Very low93 Ų93143.5 Ų143.577%0.76983%0.825SS**  trans-119.149.1-172.700000113.1
426E34.7Very low30.4Very low191 Ų191143.7 Ų143.789%0.89383%0.826SS**  trans-140.393.8164.1-75.7-162.8162.100110.9
427A30.7Very low30.1Very low110 Ų110141.7 Ų141.791%0.90983%0.83SS**  trans172.4121.7151.700000108.8
428G26.2Very low29.6Very low83 Ų83139.2 Ų139.286%0.85683%0.825SS**  trans166.254.8-179.800000115.8
429L29.8Very low29.4Very low179 Ų179143.4 Ų143.494%0.93783%0.834SS**  trans-91.6118.2160.8-82.1167000108.9
430S27.9Very low29.4Very low114 Ų114145.5 Ų145.580%0.79783%0.831SS**  trans-171.6139.5143.751.20000111.3
431D29.3Very low29.1Very low157 Ų157145.8 Ų145.884%0.8483%0.834SS**  trans-62.9141.8-174.5-43.7-77.1000115.1
432E29.3Very low29.1Very low192 Ų192145.6 Ų145.690%0.89783%0.828SS**  trans-172.4124.4130.3-111.8-178.3154.300111.8
433E28.3Very low29.1Very low184 Ų184144.7 Ų144.786%0.8683%0.831SS**  trans164.375.7143.8-92.5-83.3133.200109.1
434T25Very low29Very low143 Ų143142.8 Ų142.888%0.87783%0.829SS**  trans-93107.9167.7-25.60000109
435S24.5Very low28.7Very low97 Ų97138.4 Ų138.468%0.67882%0.823SS**  trans-168.6130.6154.6-98.10000116.4
436K27.1Very low28.3Very low200 Ų200142.3 Ų142.387%0.8783%0.825SS**  trans68.7107.3158.1-58.1167-174.7171.60115.4
437S26Very low27.9Very low125 Ų125140.9 Ų140.987%0.87482%0.818SS**  -148.6140.159.445.90000113.1
438S26Very low27.7Very low108 Ų108140.8 Ų140.876%0.75581%0.811SS**  trans-98.8140.8167.647.80000109.9
439L28.3Very low28.6Very low174 Ų174141.7 Ų141.791%0.91180%0.802SS**  trans-144.8126.6141.3-143.281.2000108.2
440E30.1Very low28.5Very low167 Ų167140.8 Ų140.878%0.7879%0.793SS**  trans-72.8160.3174.4-59.4160.5130.600108.1
441D27.8Very low28.5Very low129 Ų129143.4 Ų143.469%0.6979%0.792SS**  -177.3146.469.7-123.8-6.1000114
442N29.1Very low28.3Very low127 Ų127139.6 Ų139.668%0.67979%0.79SS**  trans46.7118142.4-62.6-43.1000123.2
443L29.3Very low28.2Very low165 Ų165134.8 Ų134.886%0.86478%0.783SS**  166.7110.5104-83.3169.1000108.1
444A29.8Very low28.3Very low95 Ų95135.2 Ų135.279%0.78579%0.785SS**  84.8115.768.100000114.9
445G26.9Very low28.4Very low73 Ų73132.2 Ų132.275%0.75378%0.775SS**  trans100.5141.2155.800000116.5
446E29Very low28.6Very low175 Ų175137.5 Ų137.582%0.81879%0.786SS**  cis-157.8156.81.5-108171.4144.900111.3
447E26.4Very low28.5Very low161 Ų161132.4 Ų132.475%0.75278%0.781SS**  trans56.2108.1148-60.4-170.5149.600124.4
448S26.3Very low29.5Very low109 Ų109131.8 Ų131.876%0.76277%0.774SS**  47.9162.896.1-55.50000122.1
449P43.8Very low29.6Very low101 Ų101133.9 Ų133.966%0.65678%0.776SS**  cis-143.8-162-40.839.9-20.5000114.2
450Q27.6Very low29.5Very low160 Ų160132.1 Ų132.175%0.74877%0.767SS**  trans77.9148.5157.2-71.9173.21.500119.4
451Q27.9Very low29.2Very low169 Ų169132.2 Ų132.279%0.7977%0.77SS**  cis-166.1147.5-17.1-124.1166.3-18.600111.2
452G25.7Very low29.2Very low77 Ų77129.9 Ų129.979%0.79478%0.776SS**  trans64.7163.1138.900000121.1
453A28.3Very low29Very low91 Ų91132.1 Ų132.175%0.75278%0.782SS**  cis-167.4158.2-10.900000110.2
454E29.3Very low28.9Very low194 Ų194133.3 Ų133.391%0.90778%0.781SS**  trans60.2162.5155.6-66.4-175.9163.900121.1
455A27.6Very low29.2Very low79 Ų79134 Ų13465%0.65378%0.778SS**  cis-171.6158.9-36.200000111.5
456K29.1Very low29.2Very low209 Ų209135.3 Ų135.391%0.90978%0.775SS**  trans74.3133.2156.2-70.4169.1-179.3171.40122.1
457A25.1Very low29.1Very low93 Ų93131.8 Ų131.877%0.76977%0.77SS**  trans-103.5-157.9160.700000109
458P46.1Very low29.2Very low112 Ų112130.9 Ų130.973%0.72777%0.77SS**  cis-137-148.7-9.138.5-15.3000113.2
459L27.2Very low29.2Very low151 Ų151134.3 Ų134.379%0.79177%0.774SS**  trans96143.3166.5-60.1169.3000117.3
460N26Very low28.4Very low137 Ų137135.5 Ų135.573%0.73379%0.785SS**  cis-161.2174.7-22.7-1587.6000111
461M25.8Very low28.3Very low169 Ų169133.1 Ų133.183%0.83378%0.781SS**  trans-52.4158.1176.3-94.1-180-87.700117.6
462G26Very low28.2Very low80 Ų80134.7 Ų134.783%0.82579%0.786SS**  trans-163.1126.215800000112.2
463E25.7Very low28.3Very low174 Ų174135.8 Ų135.881%0.81378%0.777SS**  trans-98.7149.5-177.7-67.8175.8113.700113.3
464F26.7Very low28.3Very low191 Ų191137.3 Ų137.384%0.83878%0.783SS**  trans21.6149.3139.8-73.7-68.9000122.1
465P36.5Very low28.2Very low110 Ų110134.3 Ų134.371%0.71478%0.778SS**  -154.3170.754.943.6-22.8000120.7
466S27.1Very low28.4Very low100 Ų100139.1 Ų139.170%0.69979%0.787SS**  trans46.8145.3140.662.20000122.2
467S26.8Very low28.3Very low101 Ų101134.2 Ų134.271%0.70678%0.779SS**  cis-163.7-166.9348.60000111.2
468D28.8Very low28.7Very low141 Ų141139.7 Ų139.775%0.75479%0.789SS**  trans90.277.6165.1-54.213.5000114
469E27Very low28.1Very low181 Ų181141.7 Ų141.785%0.84679%0.792SS**  8599.871.7-170.4175.8-150.300113.8
470S26.6Very low28.4Very low126 Ų126139.9 Ų139.988%0.88179%0.792SS**  trans-156.4119.2147.3-165.50000109.8
471T25.7Very low29.3Very low110 Ų110137.4 Ų137.468%0.67578%0.782SS**  trans-108123.1-174-63.80000110.6T473T471-T473 HydrophobicContact CG2-CG2 4.17Å
472F24.9Very low30.2Very low202 Ų202133.4 Ų133.489%0.88677%0.769SS**  trans-145.6138.9144.6-150.4-95.8000110.8
473T28.2Very low31.1Very low100 Ų100138.1 Ų138.161%0.61376%0.763SS**  trans-106.7132.3-159.549.30000113.3T471T471-T473 HydrophobicContact CG2-CG2 4.17Å
474S27.7Very low32.5Very low124 Ų124137.1 Ų137.187%0.86776%0.758SS**  trans-15299.5152.8-66.50000108.8
475T27.7Very low33.9Very low131 Ų131133.9 Ų133.980%0.80475%0.746SS**  trans-99.5174.5174.431.20000111.9
476E31.2Very low34.7Very low179 Ų179133.6 Ų133.684%0.83674%0.738SS**  trans79.6100.3-177.8-53.2-178.5178.500112.4
477S28.6Very low36Very low107 Ų107132.5 Ų132.575%0.74872%0.722SS**  cis66.67635.794.20000113.6L479S477-L479 VanDerWaalsContact C-N 3.34Å; S477-L479 PolarHBondContact O-N 3.02Å
478E33.3Very low37.5Very low208 Ų208133 Ų13397%0.97272%0.717SS**  trans-65.991.5169.4-70.3-170.4145.800110.6
479L33.7Very low38.9Very low153 Ų153133 Ų13380%0.80171%0.713SS**  trans-78.1122.1167.1-167.475.9000108.3S477 V481S477-L479 VanDerWaalsContact C-N 3.34Å; S477-L479 PolarHBondContact O-N 3.02Å; L479-V481 PolarHBondContact O-N 2.99Å
480S33.5Very low40.3Very low113 Ų113131.4 Ų131.479%0.7970%0.7SS**  trans-65.5104.5-179.357.10000111.6
481V42.8Very low41.4Very low86 Ų86129.9 Ų129.952%0.52168%0.682SS.*  trans-75.7127.2176.8-178.70000110.2L479 Q485L479-V481 PolarHBondContact O-N 2.99Å; V481-Q485 HydrophobicContact CG1-CB 4.05Å; V481-Q485 HydrophobicContact CG1-CG 4.45Å
482P46.2Very low42.8Very low85 Ų85133.2 Ų133.255%0.55269%0.687SS**  trans-63.7141.3177.8-23.434.7000113.3E484 Q485P482-E484 PolarHBondContact O-N 3.21Å; P482-E484 VanDerWaalsContact O-N 3.1Å; P482-Q485 PolarHBondContact O-N 3.38Å
483Y45.3Very low44Very low178 Ų178127.4 Ų127.470%0.69868%0.676SS**Hα-helixtrans-52.2-34.7-176.4179.9-103.6000114.5Q485 L486 M487Y483-Q485 PolarHBondContact O-N 3.06Å; Y483-L486 PolarHBondContact O-N 3.31Å; Y483-M487 PolarHBondContact O-N 3.01Å; Y483-M487 VanDerWaalsContact O-N 3.14Å
484E55.1Low44.8Very low154 Ų154128 Ų12872%0.7268%0.676SS**Hα-helixtrans-62.2-29.5178.9-61.9-169.1151.700113.5P482 N488P482-E484 PolarHBondContact O-N 3.21Å; P482-E484 VanDerWaalsContact O-N 3.1Å; E484-N488 PolarHBondContact O-N 3.05Å; E484-N488 VanDerWaalsContact O-N 3.09Å; E484-N488 PolarHBondContact O-ND2 3.49Å; E484-N488 VanDerWaalsContact O-ND2 3.17Å
485Q54.5Low45.4Very low123 Ų123126.3 Ų126.358%0.57566%0.664SS**Hα-helixtrans-75.6-39.6-178.4-165.6164.8-11.300111.4V481 P482 Y483 M487 N488 E489V481-Q485 HydrophobicContact CG1-CB 4.05Å; V481-Q485 HydrophobicContact CG1-CG 4.45Å; P482-Q485 PolarHBondContact O-N 3.38Å; Y483-Q485 PolarHBondContact O-N 3.06Å; Q485-M487 VanDerWaalsContact C-N 3.34Å; Q485-N488 PolarHBondContact O-N 3.18Å; Q485-E489 PolarHBondContact O-N 3.1Å
486L53.9Low46.2Very low104 Ų104126.1 Ų126.155%0.54567%0.665SS.*Hα-helixtrans-63.4-39.6171.4-74.8167.9000111.9Y483 N488 E489 Y490Y483-L486 PolarHBondContact O-N 3.31Å; L486-N488 VanDerWaalsContact C-N 3.33Å; L486-N488 PolarHBondContact O-N 3.46Å; L486-E489 PolarHBondContact O-N 3.19Å; L486-Y490 PolarHBondContact O-N 3.44Å
487M54.9Low46.7Very low77 Ų77127.7 Ų127.738%0.37967%0.669SS.*Hα-helixtrans-69-32.8179.4-15165.7-167.400112.3Y483 Q485 Y490 N491Y483-M487 PolarHBondContact O-N 3.01Å; Y483-M487 VanDerWaalsContact O-N 3.14Å; Q485-M487 VanDerWaalsContact C-N 3.34Å; M487-Y490 HydrophobicContact CE-CD1 4.38Å; M487-N491 WeakPolarHBondContact O-CB 3.25Å; M487-N491 VanDerWaalsContact O-CG 3.28Å; M487-N491 PolarHBondContact O-N 2.73Å; M487-N491 VanDerWaalsContact O-N 3.11Å; M487-N491 PolarHBondContact O-ND2 3.46Å; M487-N491 VanDerWaalsContact O-ND2 3.16Å
488N57.6Low47.5Very low112 Ų112125.5 Ų125.560%0.59966%0.663SS**Hα-helixtrans-69.6-34.7173.3-82-39.5000113.2E484 Q485 L486 K492E484-N488 PolarHBondContact O-N 3.05Å; E484-N488 VanDerWaalsContact O-N 3.09Å; E484-N488 PolarHBondContact O-ND2 3.49Å; E484-N488 VanDerWaalsContact O-ND2 3.17Å; Q485-N488 PolarHBondContact O-N 3.18Å; L486-N488 VanDerWaalsContact C-N 3.33Å; L486-N488 PolarHBondContact O-N 3.46Å; N488-K492 WeakPolarHBondContact O-CB 3.31Å; N488-K492 PolarHBondContact O-N 2.77Å
489E59.2Low47.7Very low140 Ų140126.2 Ų126.265%0.65468%0.682SS**Hα-helixtrans-69.5-41.8172.3-72-162.4139.500112.4Q485 L486 N491 K492 A493Q485-E489 PolarHBondContact O-N 3.1Å; L486-E489 PolarHBondContact O-N 3.19Å; E489-N491 VanDerWaalsContact C-N 3.33Å; E489-N491 PolarHBondContact O-N 3.48Å; E489-K492 WeakPolarHBondContact O-CB 3.5Å; E489-K492 PolarHBondContact O-N 3.36Å; E489-K492 VanDerWaalsContact O-N 3.09Å; E489-A493 PolarHBondContact O-N 3.31Å
490Y55.1Low48.4Very low147 Ų147124.9 Ų124.958%0.57668%0.676SS**Hα-helixtrans-58-44.6176.2-171.8-95.8000112.2L486 M487 K492 A493L486-Y490 PolarHBondContact O-N 3.44Å; M487-Y490 HydrophobicContact CE-CD1 4.38Å; Y490-K492 VanDerWaalsContact C-N 3.28Å; Y490-K492 PolarHBondContact O-N 3.24Å; Y490-A493 PolarHBondContact O-N 3.24Å
491N50.7Low49.2Very low94 Ų94125.5 Ų125.550%0.50367%0.67SS.*Hα-helixtrans-68.8-24.4177.7-70.5-27.1000113.3M487 E489M487-N491 WeakPolarHBondContact O-CB 3.25Å; M487-N491 VanDerWaalsContact O-CG 3.28Å; M487-N491 PolarHBondContact O-N 2.73Å; M487-N491 VanDerWaalsContact O-N 3.11Å; M487-N491 PolarHBondContact O-ND2 3.46Å; M487-N491 VanDerWaalsContact O-ND2 3.16Å; E489-N491 VanDerWaalsContact C-N 3.33Å; E489-N491 PolarHBondContact O-N 3.48Å
492K53.8Low49.5Very low180 Ų180127.7 Ų127.778%0.78368%0.679SS**Hα-helixtrans-79.3-25178-148.4172.6-170.9177.40112.9N488 E489 Y490N488-K492 WeakPolarHBondContact O-CB 3.31Å; N488-K492 PolarHBondContact O-N 2.77Å; E489-K492 WeakPolarHBondContact O-CB 3.5Å; E489-K492 PolarHBondContact O-N 3.36Å; E489-K492 VanDerWaalsContact O-N 3.09Å; Y490-K492 VanDerWaalsContact C-N 3.28Å; Y490-K492 PolarHBondContact O-N 3.24Å
493A51.7Low49.7Very low81 Ų81130.2 Ų130.267%0.66969%0.686SS**Hα-helixtrans-77.6-26.6178.500000113.9E489 Y490E489-A493 PolarHBondContact O-N 3.31Å; Y490-A493 PolarHBondContact O-N 3.24Å
494N44.8Very low50Low113 Ų113127.3 Ų127.360%0.60469%0.685SS**THydrogen-bonded Turntrans-103.328.5-173.2-83.2-25.3000114.8
495S39.3Very low49.7Very low87 Ų87125.5 Ų125.561%0.60868%0.683SS**  trans-92.7116.3169.6-70.50000110.8K497S495-K497 PolarHBondContact O-N 3.4Å
496P44.3Very low49.3Very low128 Ų128125.6 Ų125.683%0.83169%0.691SS**  trans-68.2124.4176.627.6-33000110.3G498P496-G498 PolarHBondContact O-N 3.1Å
497K42.4Very low49Very low211 Ų211127.3 Ų127.392%0.91770%0.702SS**  trans-68.8115.8172.1-72.4-177.4177.3178.50109.3S495S495-K497 PolarHBondContact O-N 3.4Å
498G44.7Very low48.5Very low61 Ų61131.5 Ų131.563%0.62973%0.729SS**  trans-79.4155.216800000112P496P496-G498 PolarHBondContact O-N 3.1Å
499T38.4Very low47.7Very low224 Ų224133.3 Ų133.3100%1.37474%0.741SS**  trans61.40-179.767.70000116.4

Retrieved 499 of 499 residues in 229.7 ms (Link to these results)