A0A5K4FEE7_SCHMA Loading...

Lipid transport auxiliary protein 1

Required for the formation of endoplasmic reticulum-plasma membrane junctions and functions as an accessory protein for bridge-like lipid transfer protein BLTP1, participating in lipid delivery between endoplasmic reticulum and cell membranes. Regulates the phagocytosis of Gram-negative bacteria like L. pneumophila and E. coli, as well as Gram-positive bacteria such as S. aureus.

AlphaFold DB , UniProt , Accession A0A5K4FEE7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 432 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
1M61.6Low87.4Confident175 Ų175106.9 Ų106.986%0.86259%0.59SS**  0-25.30-59.2-56.2-179.900116.4A3 H5M1-A3 PolarHBondContact O-N 2.66Å; M1-H5 PolarHBondContact O-CD2 2.63Å
2P80.3Confident88.1Confident98 Ų98106 Ų10664%0.63658%0.583SS**Hα-helixtrans-70.2-30-171.326.8-33.6000114.8Q4 H5 I6P2-Q4 VanDerWaalsContact C-N 3.32Å; P2-Q4 PolarHBondContact O-N 3.43Å; P2-H5 PolarHBondContact O-N 3.4Å; P2-I6 WeakPolarHBondContact O-CD1 3.31Å; P2-I6 WeakPolarHBondContact O-CG1 3.19Å; P2-I6 PolarHBondContact O-N 3.35Å
3A81.4Confident88.7Confident73 Ų73104.2 Ų104.260%0.60358%0.576SS**Hα-helixtrans-62.8-34.3-177.800000113.7M1 I6 A7M1-A3 PolarHBondContact O-N 2.66Å; A3-I6 PolarHBondContact O-N 3.06Å; A3-A7 PolarHBondContact O-N 2.97Å; A3-A7 VanDerWaalsContact O-N 3.09Å
4Q86.2Confident89.2Confident139 Ų139105.4 Ų105.465%0.6558%0.581SS**Hα-helixtrans-68.8-39.7179.3-73.5178.8-38.800112.1P2 I6 A7 L8P2-Q4 VanDerWaalsContact C-N 3.32Å; P2-Q4 PolarHBondContact O-N 3.43Å; Q4-I6 VanDerWaalsContact C-N 3.34Å; Q4-A7 PolarHBondContact O-N 3.02Å; Q4-L8 WeakPolarHBondContact O-CB 3.34Å; Q4-L8 PolarHBondContact O-N 3.22Å
5H90.5Very high89.7Confident135 Ų135104.8 Ų104.863%0.62558%0.575SS**Hα-helixtrans-65.8-39176.7-66-66.4000111.8M1 P2 L8 A9M1-H5 PolarHBondContact O-CD2 2.63Å; P2-H5 PolarHBondContact O-N 3.4Å; H5-L8 PolarHBondContact O-N 2.77Å; H5-A9 WeakPolarHBondContact O-CB 3.41Å; H5-A9 PolarHBondContact O-N 3.43Å
6I91.5Very high90.2Very high102 Ų102101.3 Ų101.352%0.52357%0.565SS.*Hα-helixtrans-64.6-45.8177.3-63.6161.3000110.4P2 A3 Q4 L8 A9 L10P2-I6 WeakPolarHBondContact O-CD1 3.31Å; P2-I6 WeakPolarHBondContact O-CG1 3.19Å; P2-I6 PolarHBondContact O-N 3.35Å; A3-I6 PolarHBondContact O-N 3.06Å; Q4-I6 VanDerWaalsContact C-N 3.34Å; I6-L8 PolarHBondContact O-N 2.73Å; I6-A9 PolarHBondContact O-N 3.4Å; I6-L10 HydrophobicContact CG2-CD1 4.24Å; I6-L10 WeakPolarHBondContact O-CG 3.41Å; I6-L10 PolarHBondContact O-N 2.83Å
7A92Very high90.6Very high59 Ų59100.3 Ų100.349%0.48856%0.557SS.*Hα-helixtrans-62.3-43.4178.200000112.4A3 Q4 L10 F11A3-A7 PolarHBondContact O-N 2.97Å; A3-A7 VanDerWaalsContact O-N 3.09Å; Q4-A7 PolarHBondContact O-N 3.02Å; A7-L10 PolarHBondContact O-N 3.12Å; A7-F11 WeakPolarHBondContact O-CB 3.43Å; A7-F11 PolarHBondContact O-N 3.01Å
8L92.7Very high91Very high106 Ų10696.9 Ų96.956%0.55555%0.548SS*.Hα-helixtrans-64.3-41.2176.8-172.4148.8000111.6Q4 H5 I6 F11 L12Q4-L8 WeakPolarHBondContact O-CB 3.34Å; Q4-L8 PolarHBondContact O-N 3.22Å; H5-L8 PolarHBondContact O-N 2.77Å; I6-L8 PolarHBondContact O-N 2.73Å; L8-F11 PolarHBondContact O-N 3.46Å; L8-L12 HydrophobicContact CD2-CD1 3.65Å; L8-L12 HydrophobicContact CD2-CG 4.23Å; L8-L12 WeakPolarHBondContact O-CG 3.35Å; L8-L12 PolarHBondContact O-N 3.47Å
9A94.6Very high91.3Very high49 Ų4995.6 Ų95.641%0.40554%0.542SS..Hα-helixtrans-62.3-45.5176.200000112H5 I6 F11 L12 V13H5-A9 WeakPolarHBondContact O-CB 3.41Å; H5-A9 PolarHBondContact O-N 3.43Å; I6-A9 PolarHBondContact O-N 3.4Å; A9-F11 VanDerWaalsContact C-N 3.33Å; A9-F11 PolarHBondContact O-N 3.44Å; A9-L12 PolarHBondContact O-N 3.05Å; A9-V13 WeakPolarHBondContact O-CG2 3.32Å; A9-V13 PolarHBondContact O-N 3.38Å
10L94.5Very high91.6Very high106 Ų10696.5 Ų96.556%0.55554%0.544SS*.Hα-helixtrans-63.2-38.9176.9-70176000112.3I6 A7 V13 L14I6-L10 HydrophobicContact CG2-CD1 4.24Å; I6-L10 WeakPolarHBondContact O-CG 3.41Å; I6-L10 PolarHBondContact O-N 2.83Å; A7-L10 PolarHBondContact O-N 3.12Å; L10-V13 PolarHBondContact O-N 3.04Å; L10-L14 PolarHBondContact O-N 3.29Å
11F95.9Very high91.9Very high134 Ų13496.3 Ų96.359%0.58854%0.541SS*.Hα-helixtrans-61.7-45.3175.2178-99.5000112A7 L8 A9 V13 L14 L15A7-F11 WeakPolarHBondContact O-CB 3.43Å; A7-F11 PolarHBondContact O-N 3.01Å; L8-F11 PolarHBondContact O-N 3.46Å; A9-F11 VanDerWaalsContact C-N 3.33Å; A9-F11 PolarHBondContact O-N 3.44Å; F11-V13 VanDerWaalsContact C-N 3.34Å; F11-V13 PolarHBondContact O-N 3.44Å; F11-L14 PolarHBondContact O-N 3.2Å; F11-L15 WeakPolarHBondContact O-CB 3.42Å; F11-L15 PolarHBondContact O-N 2.93Å
12L96Very high93.5Very high96 Ų9693 Ų9350%0.50353%0.527SS..Hα-helixtrans-64.1-38.4177-70.5177.2000112.4L8 A9 L15 A16L8-L12 HydrophobicContact CD2-CD1 3.65Å; L8-L12 HydrophobicContact CD2-CG 4.23Å; L8-L12 WeakPolarHBondContact O-CG 3.35Å; L8-L12 PolarHBondContact O-N 3.47Å; A9-L12 PolarHBondContact O-N 3.05Å; L12-L15 PolarHBondContact O-N 3.46Å; L12-A16 WeakPolarHBondContact O-CB 3.44Å; L12-A16 PolarHBondContact O-N 3.18Å
13V96.4Very high94.3Very high82 Ų8292.9 Ų92.950%0.49752%0.519SS..Hα-helixtrans-65.2-46.4176.11710000111.1A9 L10 F11 L15 A16 I17A9-V13 WeakPolarHBondContact O-CG2 3.32Å; A9-V13 PolarHBondContact O-N 3.38Å; L10-V13 PolarHBondContact O-N 3.04Å; F11-V13 VanDerWaalsContact C-N 3.34Å; F11-V13 PolarHBondContact O-N 3.44Å; V13-L15 VanDerWaalsContact C-N 3.32Å; V13-L15 PolarHBondContact O-N 3.03Å; V13-A16 PolarHBondContact O-N 3.45Å; V13-I17 HydrophobicContact CG1-CD1 3.81Å; V13-I17 VanDerWaalsContact O-CG1 3.31Å; V13-I17 WeakPolarHBondContact O-CG1 3.43Å; V13-I17 PolarHBondContact O-N 3.27Å
14L95.8Very high94.9Very high122 Ų12292.2 Ų92.264%0.63951%0.511SS*.Hα-helixtrans-62-40.2176.5-78.8167.8000112L10 F11 I17 G18L10-L14 PolarHBondContact O-N 3.29Å; F11-L14 PolarHBondContact O-N 3.2Å; L14-I17 PolarHBondContact O-N 3.45Å; L14-G18 PolarHBondContact O-N 3.31Å
15L96.9Very high95.4Very high96 Ų9690 Ų9050%0.50350%0.502SS..Hα-helixtrans-62.3-45.9175.2-177.565.8000111.3F11 L12 V13 I17 G18 V19F11-L15 WeakPolarHBondContact O-CB 3.42Å; F11-L15 PolarHBondContact O-N 2.93Å; L12-L15 PolarHBondContact O-N 3.46Å; V13-L15 VanDerWaalsContact C-N 3.32Å; V13-L15 PolarHBondContact O-N 3.03Å; L15-I17 PolarHBondContact O-N 3.43Å; L15-G18 PolarHBondContact O-N 2.86Å; L15-V19 VanDerWaalsContact O-CG2 3.32Å; L15-V19 WeakPolarHBondContact O-CG2 3.41Å; L15-V19 PolarHBondContact O-N 3.25Å
16A97Very high95.6Very high49 Ų4988.8 Ų88.841%0.40550%0.499SS..Hα-helixtrans-61.2-45.1177.700000111.8L12 V13 G18 V19 I20L12-A16 WeakPolarHBondContact O-CB 3.44Å; L12-A16 PolarHBondContact O-N 3.18Å; V13-A16 PolarHBondContact O-N 3.45Å; A16-G18 PolarHBondContact O-N 3.21Å; A16-V19 PolarHBondContact O-N 3.21Å; A16-I20 WeakPolarHBondContact O-CD1 3.45Å; A16-I20 VanDerWaalsContact O-CG1 3.23Å; A16-I20 WeakPolarHBondContact O-CG1 3.4Å; A16-I20 PolarHBondContact O-N 2.88Å
17I97.4Very high95.7Very high84 Ų8488.2 Ų88.243%0.43150%0.501SS..Hα-helixtrans-61.8-44.5176-66.4166.4000110.5V13 L14 L15 V19 I20 I21V13-I17 HydrophobicContact CG1-CD1 3.81Å; V13-I17 VanDerWaalsContact O-CG1 3.31Å; V13-I17 WeakPolarHBondContact O-CG1 3.43Å; V13-I17 PolarHBondContact O-N 3.27Å; L14-I17 PolarHBondContact O-N 3.45Å; L15-I17 PolarHBondContact O-N 3.43Å; I17-V19 PolarHBondContact O-N 3.46Å; I17-I20 PolarHBondContact O-N 3.02Å; I17-I21 HydrophobicContact CG2-CD1 3.77Å; I17-I21 HydrophobicContact CG2-CG1 4.39Å; I17-I21 VanDerWaalsContact O-CG1 3.32Å; I17-I21 WeakPolarHBondContact O-CG1 3.5Å; I17-I21 PolarHBondContact O-N 2.83Å
18G97.2Very high95.8Very high39 Ų3989.7 Ų89.740%0.40250%0.499SS..Hα-helixtrans-59.6-43.8177.400000112.8L14 L15 A16 I21 L22L14-G18 PolarHBondContact O-N 3.31Å; L15-G18 PolarHBondContact O-N 2.86Å; A16-G18 PolarHBondContact O-N 3.21Å; G18-I21 PolarHBondContact O-N 2.87Å; G18-L22 WeakPolarHBondContact O-CB 3.31Å; G18-L22 PolarHBondContact O-N 3.19Å
19V97.5Very high95.8Very high72 Ų7288 Ų8844%0.43649%0.493SS..Hα-helixtrans-65.3-41.8176.3172.80000111.3L15 A16 I17 I21 L22 I23L15-V19 VanDerWaalsContact O-CG2 3.32Å; L15-V19 WeakPolarHBondContact O-CG2 3.41Å; L15-V19 PolarHBondContact O-N 3.25Å; A16-V19 PolarHBondContact O-N 3.21Å; I17-V19 PolarHBondContact O-N 3.46Å; V19-I21 PolarHBondContact O-N 3.36Å; V19-L22 PolarHBondContact O-N 2.8Å; V19-I23 HydrophobicContact CG1-CD1 3.77Å; V19-I23 HydrophobicContact CG1-CG1 4.43Å; V19-I23 VanDerWaalsContact O-CG1 3.29Å; V19-I23 WeakPolarHBondContact O-CG1 3.4Å; V19-I23 PolarHBondContact O-N 3.36Å
20I96.8Very high95.7Very high114 Ų11493.4 Ų93.459%0.58551%0.508SS*.Hα-helixtrans-62.2-44.2176.9-69.5164.2000111.1A16 I17 I23 S24A16-I20 WeakPolarHBondContact O-CD1 3.45Å; A16-I20 VanDerWaalsContact O-CG1 3.23Å; A16-I20 WeakPolarHBondContact O-CG1 3.4Å; A16-I20 PolarHBondContact O-N 2.88Å; I17-I20 PolarHBondContact O-N 3.02Å; I20-I23 PolarHBondContact O-N 2.85Å; I20-S24 WeakPolarHBondContact O-CB 3.48Å; I20-S24 PolarHBondContact O-N 2.99Å
21I97Very high95.6Very high93 Ų9396.2 Ų96.248%0.47751%0.511SS..Hα-helixtrans-62.9-44.8177.3-68.2168.9000110.5I17 G18 V19 I23 S24 I25I17-I21 HydrophobicContact CG2-CD1 3.77Å; I17-I21 HydrophobicContact CG2-CG1 4.39Å; I17-I21 VanDerWaalsContact O-CG1 3.32Å; I17-I21 WeakPolarHBondContact O-CG1 3.5Å; I17-I21 PolarHBondContact O-N 2.83Å; G18-I21 PolarHBondContact O-N 2.87Å; V19-I21 PolarHBondContact O-N 3.36Å; I21-I23 PolarHBondContact O-N 3.36Å; I21-S24 WeakPolarHBondContact O-CB 3.31Å; I21-S24 PolarHBondContact O-N 3.19Å; I21-I25 HydrophobicContact CG2-CD1 3.92Å; I21-I25 WeakPolarHBondContact O-CG1 3.34Å; I21-I25 PolarHBondContact O-N 3.28Å
22L96.3Very high95.4Very high106 Ų10697.2 Ų97.256%0.55551%0.511SS*.Hα-helixtrans-59-46.9177.5-176.968.2000111.6G18 V19 S24 I25 L26G18-L22 WeakPolarHBondContact O-CB 3.31Å; G18-L22 PolarHBondContact O-N 3.19Å; V19-L22 PolarHBondContact O-N 2.8Å; L22-S24 PolarHBondContact O-N 2.81Å; L22-I25 PolarHBondContact O-N 3.05Å; L22-L26 HydrophobicContact CG-CD1 4.45Å; L22-L26 WeakPolarHBondContact O-CG 3.35Å; L22-L26 PolarHBondContact O-N 3.47Å
23I96.4Very high94.9Very high94 Ų9497.6 Ų97.648%0.48251%0.512SS..Hα-helixtrans-62.6-43.1177-67.7168.2000110.7V19 I20 I21 I25 L26 V27V19-I23 HydrophobicContact CG1-CD1 3.77Å; V19-I23 HydrophobicContact CG1-CG1 4.43Å; V19-I23 VanDerWaalsContact O-CG1 3.29Å; V19-I23 WeakPolarHBondContact O-CG1 3.4Å; V19-I23 PolarHBondContact O-N 3.36Å; I20-I23 PolarHBondContact O-N 2.85Å; I21-I23 PolarHBondContact O-N 3.36Å; I23-I25 PolarHBondContact O-N 3.25Å; I23-L26 PolarHBondContact O-N 2.84Å; I23-V27 HydrophobicContact CG2-CG2 4.39Å; I23-V27 WeakPolarHBondContact O-CG2 3.45Å; I23-V27 PolarHBondContact O-N 3.48Å
24S95.5Very high94.4Very high60 Ų6096.4 Ų96.442%0.4251%0.511SS..Hα-helixtrans-58.2-46.1177.7-174.60000111.9I20 I21 L22 V27 I28I20-S24 WeakPolarHBondContact O-CB 3.48Å; I20-S24 PolarHBondContact O-N 2.99Å; I21-S24 WeakPolarHBondContact O-CB 3.31Å; I21-S24 PolarHBondContact O-N 3.19Å; L22-S24 PolarHBondContact O-N 2.81Å; S24-V27 PolarHBondContact O-N 2.77Å; S24-I28 VanDerWaalsContact O-CG1 3.28Å; S24-I28 WeakPolarHBondContact O-CG1 3.44Å; S24-I28 PolarHBondContact O-N 3.39Å
25I95.8Very high93.8Very high91 Ų9196.7 Ų96.747%0.46750%0.504SS..Hα-helixtrans-61.4-47.4176.6-66.9167.2000110.8I21 L22 I23 V27 I28 V29I21-I25 HydrophobicContact CG2-CD1 3.92Å; I21-I25 WeakPolarHBondContact O-CG1 3.34Å; I21-I25 PolarHBondContact O-N 3.28Å; L22-I25 PolarHBondContact O-N 3.05Å; I23-I25 PolarHBondContact O-N 3.25Å; I25-V27 VanDerWaalsContact C-N 3.32Å; I25-V27 PolarHBondContact O-N 2.97Å; I25-I28 PolarHBondContact O-N 3.49Å; I25-V29 HydrophobicContact CG2-CG2 4.15Å; I25-V29 WeakPolarHBondContact O-CB 2.94Å; I25-V29 VanDerWaalsContact O-CG2 3.31Å; I25-V29 WeakPolarHBondContact O-CG2 3.17Å; I25-V29 PolarHBondContact O-N 3.08Å
26L94.7Very high92.8Very high110 Ų110101.2 Ų101.258%0.57651%0.514SS*.Hα-helixtrans-59.4-42.2179.5-71.4173.2000112.2L22 I23 K30L22-L26 HydrophobicContact CG-CD1 4.45Å; L22-L26 WeakPolarHBondContact O-CG 3.35Å; L22-L26 PolarHBondContact O-N 3.47Å; I23-L26 PolarHBondContact O-N 2.84Å; L26-K30 VanDerWaalsContact O-CB 3.25Å; L26-K30 WeakPolarHBondContact O-CB 3.3Å; L26-K30 PolarHBondContact O-N 3.24Å
27V93.7Very high91.9Very high90 Ų90106.4 Ų106.455%0.54553%0.528SS..Hα-helixtrans-65.6-44.3177.2172.40000111.2I23 S24 I25 K30 R31I23-V27 HydrophobicContact CG2-CG2 4.39Å; I23-V27 WeakPolarHBondContact O-CG2 3.45Å; I23-V27 PolarHBondContact O-N 3.48Å; S24-V27 PolarHBondContact O-N 2.77Å; I25-V27 VanDerWaalsContact C-N 3.32Å; I25-V27 PolarHBondContact O-N 2.97Å; V27-K30 PolarHBondContact O-N 3.27Å; V27-R31 VanDerWaalsContact O-CB 3.3Å; V27-R31 WeakPolarHBondContact O-CB 2.99Å; V27-R31 PolarHBondContact O-N 3.08Å
28I93.2Very high90.6Very high90 Ų90105.4 Ų105.446%0.46253%0.528SS..Hα-helixtrans-63.7-47.2178.8-67.7166.9000110.5S24 I25 R31 R32S24-I28 VanDerWaalsContact O-CG1 3.28Å; S24-I28 WeakPolarHBondContact O-CG1 3.44Å; S24-I28 PolarHBondContact O-N 3.39Å; I25-I28 PolarHBondContact O-N 3.49Å; I28-R31 CarbonylContact O-C 3.43Å; I28-R31 PolarHBondContact O-N 3.36Å; I28-R32 HydrophobicContact CG2-CG 4.14Å; I28-R32 WeakPolarHBondContact O-CB 3.37Å; I28-R32 WeakPolarHBondContact O-CG 3.25Å; I28-R32 PolarHBondContact O-N 3.49Å
29V93.2Very high89.1Confident70 Ų70113 Ų11342%0.42454%0.544SS..Hα-helixtrans-61.6-47.8178.8171.70000110.5I25 R31 R32 I33I25-V29 HydrophobicContact CG2-CG2 4.15Å; I25-V29 WeakPolarHBondContact O-CB 2.94Å; I25-V29 VanDerWaalsContact O-CG2 3.31Å; I25-V29 WeakPolarHBondContact O-CG2 3.17Å; I25-V29 PolarHBondContact O-N 3.08Å; V29-R31 VanDerWaalsContact C-N 3.3Å; V29-R31 PolarHBondContact O-N 3.29Å; V29-R32 PolarHBondContact O-N 3.29Å; V29-R32 VanDerWaalsContact O-N 3.09Å; V29-I33 HydrophobicContact CG1-CD1 3.6Å; V29-I33 HydrophobicContact CG1-CG1 4.25Å; V29-I33 WeakPolarHBondContact O-CG1 3.31Å; V29-I33 PolarHBondContact O-N 3.05Å
30K93.3Very high87.4Confident163 Ų163114 Ų11471%0.70955%0.546SS*.Hα-helixtrans-58-42.9175.8-173.2171.8-179.2167.20111.5L26 V27 A34L26-K30 VanDerWaalsContact O-CB 3.25Å; L26-K30 WeakPolarHBondContact O-CB 3.3Å; L26-K30 PolarHBondContact O-N 3.24Å; V27-K30 PolarHBondContact O-N 3.27Å; K30-A34 WeakPolarHBondContact O-CB 3.04Å; K30-A34 PolarHBondContact O-N 2.89Å
31R92.2Very high85.7Confident165 Ų165110.9 Ų110.962%0.62354%0.542SS*.Hα-helixtrans-69.2-31.3177.2-166176.2179.4-177.51.1112.7V27 I28 V29 R35V27-R31 VanDerWaalsContact O-CB 3.3Å; V27-R31 WeakPolarHBondContact O-CB 2.99Å; V27-R31 PolarHBondContact O-N 3.08Å; I28-R31 CarbonylContact O-C 3.43Å; I28-R31 PolarHBondContact O-N 3.36Å; V29-R31 VanDerWaalsContact C-N 3.3Å; V29-R31 PolarHBondContact O-N 3.29Å; R31-R35 WeakPolarHBondContact O-CB 3.35Å; R31-R35 WeakPolarHBondContact O-CG 3.48Å; R31-R35 PolarHBondContact O-N 3.2Å; R31-R35 PolarHBondContact O-NE 3.5Å
32R90.5Very high83.8Confident156 Ų156114.6 Ų114.659%0.58955%0.55SS**Hα-helixtrans-72.7-45.4175.3-72.4-79.2-174.7175.12.4111I28 V29 R35 R36I28-R32 HydrophobicContact CG2-CG 4.14Å; I28-R32 WeakPolarHBondContact O-CB 3.37Å; I28-R32 WeakPolarHBondContact O-CG 3.25Å; I28-R32 PolarHBondContact O-N 3.49Å; V29-R32 PolarHBondContact O-N 3.29Å; V29-R32 VanDerWaalsContact O-N 3.09Å; R32-R35 PolarHBondContact O-N 3.08Å; R32-R36 PolarHBondContact O-N 2.82Å
33I85.9Confident81.9Confident103 Ų103114.5 Ų114.553%0.52856%0.555SS.*Hα-helixtrans-64.9-46.2176.3-64.1169.1000110.5V29 R35 R36 K37V29-I33 HydrophobicContact CG1-CD1 3.6Å; V29-I33 HydrophobicContact CG1-CG1 4.25Å; V29-I33 WeakPolarHBondContact O-CG1 3.31Å; V29-I33 PolarHBondContact O-N 3.05Å; I33-R35 VanDerWaalsContact C-N 3.29Å; I33-R35 PolarHBondContact O-N 2.85Å; I33-R36 PolarHBondContact O-N 3.5Å; I33-R36 VanDerWaalsContact O-N 3.16Å; I33-K37 WeakPolarHBondContact O-CB 3.4Å; I33-K37 PolarHBondContact O-N 2.79Å
34A85.3Confident80.3Confident58 Ų58113.9 Ų113.948%0.47956%0.555SS.*Hα-helixtrans-59.4-40.3177.700000112K30 S38K30-A34 WeakPolarHBondContact O-CB 3.04Å; K30-A34 PolarHBondContact O-N 2.89Å; A34-S38 VanDerWaalsContact O-CB 3.29Å; A34-S38 WeakPolarHBondContact O-CB 3.35Å; A34-S38 PolarHBondContact O-N 3.19Å
35R83.4Confident78.7Confident128 Ų128119.9 Ų119.948%0.48357%0.57SS.*Hα-helixtrans-65.6-43.7174.3-81.1-171.3-95-170.6-5.4112.4R31 R32 I33 R39R31-R35 WeakPolarHBondContact O-CB 3.35Å; R31-R35 WeakPolarHBondContact O-CG 3.48Å; R31-R35 PolarHBondContact O-N 3.2Å; R31-R35 PolarHBondContact O-NE 3.5Å; R32-R35 PolarHBondContact O-N 3.08Å; I33-R35 VanDerWaalsContact C-N 3.29Å; I33-R35 PolarHBondContact O-N 2.85Å; R35-R39 PolarHBondContact O-N 3.23Å
36R76.6Confident77Confident190 Ų190119.3 Ų119.372%0.71757%0.568SS**Hα-helixtrans-63.8-45.8175.5-74.8-175.6-179.31690.2111.6R32 I33 S38 R39 I40R32-R36 PolarHBondContact O-N 2.82Å; I33-R36 PolarHBondContact O-N 3.5Å; I33-R36 VanDerWaalsContact O-N 3.16Å; R36-S38 PolarHBondContact O-N 2.91Å; R36-R39 PolarHBondContact O-N 2.72Å; R36-I40 WeakPolarHBondContact O-CB 3.37Å; R36-I40 PolarHBondContact O-N 3.36Å
37K78.5Confident75.7Confident159 Ų159117.4 Ų117.469%0.69156%0.564SS**Hα-helixtrans-62.4-38.8177.7-169.6174.1-179.9177.90112.6I33 R39 G41I33-K37 WeakPolarHBondContact O-CB 3.4Å; I33-K37 PolarHBondContact O-N 2.79Å; K37-R39 VanDerWaalsContact C-N 3.33Å; K37-R39 PolarHBondContact O-N 3.44Å; K37-G41 PolarHBondContact O-N 3.29Å
38S69.2Low74.2Confident62 Ų62120 Ų12043%0.43458%0.584SS.*Hα-helixtrans-66.3-32176.5-1780000113.3A34 R36 R42A34-S38 VanDerWaalsContact O-CB 3.29Å; A34-S38 WeakPolarHBondContact O-CB 3.35Å; A34-S38 PolarHBondContact O-N 3.19Å; R36-S38 PolarHBondContact O-N 2.91Å; S38-R42 PolarHBondContact O-NH1 3.24Å; S38-R42 PolarHBondContact OG-NH1 3.02Å; S38-R42 VanDerWaalsContact OG-NH1 3.08Å
39R66.7Low73Confident198 Ų198117.2 Ų117.275%0.74758%0.578SS**Hα-helixtrans-81.9-41.1175.8-71.2-173.7178.8-165.3-1112.6R35 R36 K37 T43R35-R39 PolarHBondContact O-N 3.23Å; R36-R39 PolarHBondContact O-N 2.72Å; K37-R39 VanDerWaalsContact C-N 3.33Å; K37-R39 PolarHBondContact O-N 3.44Å; R39-T43 WeakPolarHBondContact O-CG2 3.27Å; R39-T43 PolarHBondContact O-OG1 3.15Å
40I61.6Low71.8Confident93 Ų93119.2 Ų119.248%0.47758%0.583SS.*Hα-helixtrans-66.2-43.6175.8-96.669.1000110.8R36 R42 T43 T44R36-I40 WeakPolarHBondContact O-CB 3.37Å; R36-I40 PolarHBondContact O-N 3.36Å; I40-R42 PolarHBondContact O-N 3.48Å; I40-T43 PolarHBondContact O-N 3.22Å; I40-T44 WeakPolarHBondContact O-CB 3.48Å; I40-T44 PolarHBondContact O-N 3.31Å; I40-T44 VanDerWaalsContact O-N 3.09Å; I40-T44 PolarHBondContact O-OG1 3.43Å
41G60Low70.7Confident49 Ų49115 Ų11551%0.50559%0.585SS.*Hα-helixtrans-64.3-17.8-17600000115K37K37-G41 PolarHBondContact O-N 3.29Å
42R57.7Low69.9Low171 Ų171110.7 Ų110.765%0.64557%0.574SS**Hα-helixtrans-101.3-15.7177.8-72-169.7176.486-1.9114.6S38 I40 N46S38-R42 PolarHBondContact O-NH1 3.24Å; S38-R42 PolarHBondContact OG-NH1 3.02Å; S38-R42 VanDerWaalsContact OG-NH1 3.08Å; I40-R42 PolarHBondContact O-N 3.48Å; R42-N46 PolarHBondContact O-ND2 3.42Å; R42-N46 VanDerWaalsContact O-ND2 3.07Å
43T57.5Low69.5Low105 Ų105106.9 Ų106.964%0.64457%0.569SS**Hα-helixtrans-112.4-26.1-171.356.70000112.6R39 I40R39-T43 WeakPolarHBondContact O-CG2 3.27Å; R39-T43 PolarHBondContact O-OG1 3.15Å; I40-T43 PolarHBondContact O-N 3.22Å
44T62.1Low69.4Low80 Ų80111 Ų11149%0.49158%0.584SS.*SBendtrans-92.8-17.1-166.9-42.70000114.6I40I40-T44 WeakPolarHBondContact O-CB 3.48Å; I40-T44 PolarHBondContact O-N 3.31Å; I40-T44 VanDerWaalsContact O-N 3.09Å; I40-T44 PolarHBondContact O-OG1 3.43Å
45Y60.8Low69.4Low187 Ų187113 Ų11373%0.73359%0.59SS**SBendtrans-1256.7-175.5-64.6-74.3000115.2S47Y45-S47 PolarHBondContact O-N 3.42Å; Y45-S47 VanDerWaalsContact O-N 3.16Å
46N60.5Low69.5Low78 Ų78114.4 Ų114.442%0.41760%0.595SS.*SBendtrans-71.5114.9171.7-77.53.9000107.3R42 C48 H50R42-N46 PolarHBondContact O-ND2 3.42Å; R42-N46 VanDerWaalsContact O-ND2 3.07Å; N46-C48 PolarHBondContact O-N 2.92Å; N46-H50 HydrophobicContact CB-CB 3.65Å
47S67.7Low69.9Low71 Ų71108.9 Ų108.950%0.49758%0.576SS.*  trans-48.5138.2169.230.20000108.7Y45 G49 H50Y45-S47 PolarHBondContact O-N 3.42Å; Y45-S47 VanDerWaalsContact O-N 3.16Å; S47-G49 PolarHBondContact O-N 3.43Å; S47-H50 WeakPolarHBondContact O-CB 3.07Å; S47-H50 PolarHBondContact O-N 3.39Å
48C63.2Low70.2Confident143 Ų143103.6 Ų103.697%0.96656%0.559SS**THydrogen-bonded Turntrans-50.2114.7177.9-174.60000108.6N46N46-C48 PolarHBondContact O-N 2.92Å
49G67.1Low71Confident33 Ų33103.7 Ų103.734%0.3456%0.555SS.*THydrogen-bonded Turntrans105.61.6-172.500000116.7S47 G51 L52S47-G49 PolarHBondContact O-N 3.43Å; G49-G51 PolarHBondContact O-N 3.49Å; G49-L52 WeakPolarHBondContact O-CB 3.43Å; G49-L52 PolarHBondContact O-N 3.01Å
50H67.1Low72Confident112 Ų11297.9 Ų97.952%0.51954%0.538SS..THydrogen-bonded Turntrans-65.4125.4172.8-16171.4000110.6N46 S47N46-H50 HydrophobicContact CB-CB 3.65Å; S47-H50 WeakPolarHBondContact O-CB 3.07Å; S47-H50 PolarHBondContact O-N 3.39Å
51G70.4Confident73.1Confident73 Ų7398 Ų9875%0.75354%0.536SS*.THydrogen-bonded Turntrans85.44.1-176.400000115.1G49G49-G51 PolarHBondContact O-N 3.49Å
52L75.5Confident74.4Confident75 Ų75102.2 Ų102.239%0.39354%0.541SS..  trans-63.5132.2171.4-121.773.8000109.9G49 W56 I60G49-L52 WeakPolarHBondContact O-CB 3.43Å; G49-L52 PolarHBondContact O-N 3.01Å; L52-W56 HydrophobicContact CD2-CB 3.53Å; L52-W56 HydrophobicContact CD2-CG 4.48Å; L52-W56 HydrophobicContact CG-CB 3.89Å; L52-I60 HydrophobicContact CD2-CD1 3.47Å; L52-I60 VanDerWaalsContact CD2-CD1 3.47Å
53P82Confident75.8Confident77 Ų77101.7 Ų101.750%0.554%0.543SS..  trans-53.6143.3172.7-24.932.3000111.1V55 W56 K57P53-V55 PolarHBondContact O-N 3.38Å; P53-W56 PolarHBondContact O-N 2.9Å; P53-K57 PolarHBondContact O-N 3.11Å
54K83.6Confident77.1Confident190 Ų190101.3 Ų101.383%0.82654%0.536SS*.Hα-helixtrans-50.9-33.4-177.2-67.2-177.6179.7179.50112.9K57 S58K54-K57 PolarHBondContact O-N 3.45Å; K54-S58 PolarHBondContact O-N 3.28Å
55V85.7Confident78Confident100 Ų100102.6 Ų102.661%0.60654%0.54SS*.Hα-helixtrans-59.7-47.4176.3-176.50000111.7P53 S58 N59P53-V55 PolarHBondContact O-N 3.38Å; V55-S58 PolarHBondContact O-N 3.15Å; V55-N59 WeakPolarHBondContact O-CB 3.29Å; V55-N59 VanDerWaalsContact O-CG 3.3Å; V55-N59 PolarHBondContact O-N 3.49Å; V55-N59 PolarHBondContact O-ND2 3.42Å
56W85.4Confident78.8Confident156 Ų15695.1 Ų95.159%0.59152%0.52SS*.Hα-helixtrans-68.2-40.6179.1-73.1105000112.2L52 P53 S58 N59 I60L52-W56 HydrophobicContact CD2-CB 3.53Å; L52-W56 HydrophobicContact CD2-CG 4.48Å; L52-W56 HydrophobicContact CG-CB 3.89Å; P53-W56 PolarHBondContact O-N 2.9Å; W56-S58 VanDerWaalsContact C-N 3.35Å; W56-S58 PolarHBondContact O-N 3.44Å; W56-N59 PolarHBondContact O-N 3.22Å; W56-I60 WeakPolarHBondContact O-CB 3.2Å; W56-I60 VanDerWaalsContact O-CG1 3.28Å; W56-I60 WeakPolarHBondContact O-CG1 3.33Å; W56-I60 PolarHBondContact O-N 3.18Å
57K84.6Confident79.5Confident75 Ų7595.1 Ų95.133%0.32652%0.523SS..Hα-helixtrans-58.1-48.3174.4-176.1175.9174.6179.30111.2P53 K54 N59 I60 E61P53-K57 PolarHBondContact O-N 3.11Å; K54-K57 PolarHBondContact O-N 3.45Å; K57-N59 VanDerWaalsContact C-N 3.34Å; K57-N59 PolarHBondContact O-N 3.44Å; K57-I60 PolarHBondContact O-N 2.82Å; K57-E61 WeakPolarHBondContact CE-OE1 3.44Å; K57-E61 WeakPolarHBondContact O-CB 3.35Å; K57-E61 WeakPolarHBondContact O-CG 3.14Å; K57-E61 PolarHBondContact O-N 3.42Å
58S84.9Confident79.5Confident47 Ų4794.7 Ų94.733%0.32952%0.517SS..Hα-helixtrans-62-40.4176.6-174.10000112.2K54 V55 W56 E61 K62K54-S58 PolarHBondContact O-N 3.28Å; V55-S58 PolarHBondContact O-N 3.15Å; W56-S58 VanDerWaalsContact C-N 3.35Å; W56-S58 PolarHBondContact O-N 3.44Å; S58-E61 PolarHBondContact O-N 3.29Å; S58-K62 WeakPolarHBondContact O-CB 3.28Å; S58-K62 WeakPolarHBondContact O-CG 3.46Å; S58-K62 PolarHBondContact O-N 2.96Å
59N87.8Confident79.6Confident64 Ų6494.2 Ų94.234%0.34250%0.498SS..Hα-helixtrans-67.2-39.6177.7-75-16.5000112.7V55 W56 K57 K62 K63V55-N59 WeakPolarHBondContact O-CB 3.29Å; V55-N59 VanDerWaalsContact O-CG 3.3Å; V55-N59 PolarHBondContact O-N 3.49Å; V55-N59 PolarHBondContact O-ND2 3.42Å; W56-N59 PolarHBondContact O-N 3.22Å; K57-N59 VanDerWaalsContact C-N 3.34Å; K57-N59 PolarHBondContact O-N 3.44Å; N59-K62 PolarHBondContact O-N 3.26Å; N59-K63 WeakPolarHBondContact O-CB 3.14Å; N59-K63 WeakPolarHBondContact O-CG 3.21Å; N59-K63 PolarHBondContact O-N 3.27Å
60I85.9Confident79.5Confident77 Ų7798 Ų9840%0.39551%0.51SS..Hα-helixtrans-64.9-48175.1-69.8166.3000109.9L52 W56 K57 K62 K63 I64L52-I60 HydrophobicContact CD2-CD1 3.47Å; L52-I60 VanDerWaalsContact CD2-CD1 3.47Å; W56-I60 WeakPolarHBondContact O-CB 3.2Å; W56-I60 VanDerWaalsContact O-CG1 3.28Å; W56-I60 WeakPolarHBondContact O-CG1 3.33Å; W56-I60 PolarHBondContact O-N 3.18Å; K57-I60 PolarHBondContact O-N 2.82Å; I60-K62 VanDerWaalsContact C-N 3.32Å; I60-K62 PolarHBondContact O-N 3.03Å; I60-K63 PolarHBondContact O-N 3.33Å; I60-K63 VanDerWaalsContact O-N 3.14Å; I60-I64 HydrophobicContact CG2-CD1 3.51Å; I60-I64 HydrophobicContact CG2-CG1 4.19Å; I60-I64 WeakPolarHBondContact O-CB 3.34Å; I60-I64 VanDerWaalsContact O-CG1 3.28Å; I60-I64 WeakPolarHBondContact O-CG1 3.05Å; I60-I64 PolarHBondContact O-N 3Å
61E86.4Confident79.2Confident94 Ų94101 Ų10144%0.43952%0.517SS..Hα-helixtrans-59.9-41.9175.9-74.6173.2-171.600111.6K57 S58 I64 N65K57-E61 WeakPolarHBondContact CE-OE1 3.44Å; K57-E61 WeakPolarHBondContact O-CB 3.35Å; K57-E61 WeakPolarHBondContact O-CG 3.14Å; K57-E61 PolarHBondContact O-N 3.42Å; S58-E61 PolarHBondContact O-N 3.29Å; E61-I64 PolarHBondContact O-N 3.42Å; E61-N65 VanDerWaalsContact O-CB 3.22Å; E61-N65 WeakPolarHBondContact O-CB 3.43Å; E61-N65 PolarHBondContact O-N 2.86Å; E61-N65 PolarHBondContact O-ND2 3.19Å; E61-N65 VanDerWaalsContact O-ND2 3.16Å
62K87.5Confident78.8Confident138 Ų138102.8 Ų102.860%0.651%0.513SS*.Hα-helixtrans-61.1-43.1173.4-77173.4-176.3179.60112.1S58 N59 I60 G66S58-K62 WeakPolarHBondContact O-CB 3.28Å; S58-K62 WeakPolarHBondContact O-CG 3.46Å; S58-K62 PolarHBondContact O-N 2.96Å; N59-K62 PolarHBondContact O-N 3.26Å; I60-K62 VanDerWaalsContact C-N 3.32Å; I60-K62 PolarHBondContact O-N 3.03Å; K62-G66 PolarHBondContact O-N 3.41Å
63K85.9Confident78.4Confident160 Ų160101.1 Ų101.170%0.69650%0.503SS*.Hα-helixtrans-67.7-43.8178.2-77-176.8176.9-169.70111.9N59 I60 G66 T67N59-K63 WeakPolarHBondContact O-CB 3.14Å; N59-K63 WeakPolarHBondContact O-CG 3.21Å; N59-K63 PolarHBondContact O-N 3.27Å; I60-K63 PolarHBondContact O-N 3.33Å; I60-K63 VanDerWaalsContact O-N 3.14Å; K63-G66 CarbonylContact O-C 3.58Å; K63-G66 VanDerWaalsContact O-CA 3.29Å; K63-G66 WeakPolarHBondContact O-CA 3.09Å; K63-G66 PolarHBondContact O-N 3.41Å; K63-G66 VanDerWaalsContact O-N 3.07Å; K63-T67 PolarHBondContact O-N 3.14Å
64I84.1Confident77.7Confident97 Ų97101.5 Ų101.550%0.49751%0.505SS..Hα-helixtrans-64.8-44.9175.8-66.9170.5000110.5I60 E61 G66 T67I60-I64 HydrophobicContact CG2-CD1 3.51Å; I60-I64 HydrophobicContact CG2-CG1 4.19Å; I60-I64 WeakPolarHBondContact O-CB 3.34Å; I60-I64 VanDerWaalsContact O-CG1 3.28Å; I60-I64 WeakPolarHBondContact O-CG1 3.05Å; I60-I64 PolarHBondContact O-N 3Å; E61-I64 PolarHBondContact O-N 3.42Å; I64-G66 PolarHBondContact O-N 3.46Å; I64-T67 PolarHBondContact O-N 3.43Å; I64-T67 PolarHBondContact O-OG1 3.17Å
65N81.4Confident77.1Confident107 Ų10797.8 Ų97.857%0.57249%0.491SS*.Hα-helixtrans-66-24173.2-68.6-26.2000111.8E61 V68E61-N65 VanDerWaalsContact O-CB 3.22Å; E61-N65 WeakPolarHBondContact O-CB 3.43Å; E61-N65 PolarHBondContact O-N 2.86Å; E61-N65 PolarHBondContact O-ND2 3.19Å; E61-N65 VanDerWaalsContact O-ND2 3.16Å; N65-V68 WeakPolarHBondContact O-CB 3.37Å
66G78.9Confident76.3Confident30 Ų3096 Ų9631%0.30948%0.48SS..Hα-helixtrans-67.7-34.6168.700000113K62 K63 I64 V68 K69K62-G66 PolarHBondContact O-N 3.41Å; K63-G66 CarbonylContact O-C 3.58Å; K63-G66 VanDerWaalsContact O-CA 3.29Å; K63-G66 WeakPolarHBondContact O-CA 3.09Å; K63-G66 PolarHBondContact O-N 3.41Å; K63-G66 VanDerWaalsContact O-N 3.07Å; I64-G66 PolarHBondContact O-N 3.46Å; G66-V68 PolarHBondContact O-N 3.42Å; G66-K69 VanDerWaalsContact O-CB 3.3Å; G66-K69 WeakPolarHBondContact O-CB 3.18Å; G66-K69 PolarHBondContact O-N 3.12Å
67T74.5Confident75.5Confident78 Ų7889.2 Ų89.248%0.47946%0.455SS..Hα-helixtrans-66.9-26.7177.467.10000112.3K63 I64 K69 I70K63-T67 PolarHBondContact O-N 3.14Å; I64-T67 PolarHBondContact O-N 3.43Å; I64-T67 PolarHBondContact O-OG1 3.17Å; T67-K69 PolarHBondContact O-N 3.39Å; T67-K69 VanDerWaalsContact O-N 3.15Å; T67-I70 HydrophobicContact CG2-CD1 4.1Å; T67-I70 VanDerWaalsContact O-CB 3.31Å; T67-I70 WeakPolarHBondContact O-CB 3.49Å; T67-I70 WeakPolarHBondContact O-CG1 3.23Å; T67-I70 PolarHBondContact O-N 2.63Å
68V67.3Low74.5Confident63 Ų6387.5 Ų87.538%0.38246%0.459SS..THydrogen-bonded Turntrans-60.4-21.8170.2-176.50000111.8N65 G66 P124N65-V68 WeakPolarHBondContact O-CB 3.37Å; G66-V68 PolarHBondContact O-N 3.42Å; V68-P124 HydrophobicContact CG1-CB 3.99Å; V68-P124 HydrophobicContact CG1-CG 3.45Å; V68-P124 VanDerWaalsContact CG1-CG 3.45Å; V68-P124 WeakPolarHBondContact O-CB 3.45Å; V68-P124 VanDerWaalsContact O-CG 3.3Å; V68-P124 WeakPolarHBondContact O-CG 3.31Å
69K66.3Low73.3Confident132 Ų13293.2 Ų93.257%0.57449%0.485SS*.THydrogen-bonded Turntrans-85.3-8175.3-58.5-178.4179-179.80113.6G66 T67 R71G66-K69 VanDerWaalsContact O-CB 3.3Å; G66-K69 WeakPolarHBondContact O-CB 3.18Å; G66-K69 PolarHBondContact O-N 3.12Å; T67-K69 PolarHBondContact O-N 3.39Å; T67-K69 VanDerWaalsContact O-N 3.15Å; K69-R71 PolarHBondContact O-N 2.95Å; K69-R71 VanDerWaalsContact O-N 3.12Å
70I63.9Low72Confident112 Ų11295.3 Ų95.357%0.57449%0.492SS*.  trans-70.6109.5178.4-60.4170.8000107.4T67T67-I70 HydrophobicContact CG2-CD1 4.1Å; T67-I70 VanDerWaalsContact O-CB 3.31Å; T67-I70 WeakPolarHBondContact O-CB 3.49Å; T67-I70 WeakPolarHBondContact O-CG1 3.23Å; T67-I70 PolarHBondContact O-N 2.63Å
71R61.2Low71Confident177 Ų17796.2 Ų96.267%0.66849%0.491SS*.  trans-93.8-14-177.9-64.5-177.3176.190.8-4.6113.2K69 K110K69-R71 PolarHBondContact O-N 2.95Å; K69-R71 VanDerWaalsContact O-N 3.12Å; R71-K110 PolarHBondContact O-NZ 2.87Å; R71-K110 VanDerWaalsContact O-NZ 3.15Å
72T62.4Low69.8Low110 Ų11095.8 Ų95.868%0.67550%0.499SS*.PPolyproline II helixtrans-97.6125.7-168.3-45.60000109.3
73E67Low68.6Low40 Ų4095.1 Ų95.119%0.18750%0.498CS..PPolyproline II helixtrans-69.2132.2164.1-73.2-75.2-165.400107.8Q75 F106 L107 Y156 R160E73-Q75 PolarHBondContact O-N 2.87Å; E73-F106 HydrophobicContact CG-CE1 4.38Å; E73-L107 HydrophobicContact CB-CD1 3.74Å; E73-L107 HydrophobicContact CB-CG 4.13Å; E73-Y156 PolarHBondContact OE1-OH 3.44Å; E73-R160 VanDerWaalsContact CD-NH1 3.3Å; E73-R160 IonicContact OE1-CZ 3.67Å; E73-R160 IonicContact OE1-NH1 3.89Å; E73-R160 PolarHBondContact OE1-NH1 3.4Å; E73-R160 IonicContact OE1-NH2 2.8Å; E73-R160 IonicContact OE2-CZ 2.71Å; E73-R160 IonicContact OE2-NH1 3.54Å; E73-R160 PolarHBondContact OE2-NH1 2.98Å; E73-R160 VanDerWaalsContact OE2-NH1 3.12Å; E73-R160 IonicContact OE2-NH2 3.6Å; E73-R160 PolarHBondContact OE2-NH2 3.33Å
74P66.7Low67.4Low84 Ų8490.7 Ų90.755%0.54548%0.482SS..PPolyproline II helixtrans-65.6127.2179.327.1-32.2000109.3V76P74-V76 PolarHBondContact O-N 2.92Å
75Q70.5Confident66.5Low112 Ų11290.2 Ų90.252%0.52347%0.474SS..PPolyproline II helixtrans-73.4122.1167.2-164-177.9-5.900107.7E73 F77 D104 L107E73-Q75 PolarHBondContact O-N 2.87Å; Q75-F77 VanDerWaalsContact CG-O 3.23Å; Q75-F77 WeakPolarHBondContact CG-O 3.32Å; Q75-F77 PolarHBondContact NE2-O 2.97Å; Q75-D104 VanDerWaalsContact CA-OD1 3.31Å; Q75-D104 WeakPolarHBondContact CA-OD1 3.08Å; Q75-D104 VanDerWaalsContact CG-OD1 3.28Å; Q75-D104 WeakPolarHBondContact CG-OD1 3.44Å; Q75-L107 HydrophobicContact CB-CD2 4.11Å; Q75-L107 HydrophobicContact CG-CD2 4.47Å
76V70.2Confident65.8Low63 Ų6390.6 Ų90.638%0.38248%0.476SS..SBendtrans-78-43.9-175.4-173.60000109.9P74 F96 A100 V103 D104P74-V76 PolarHBondContact O-N 2.92Å; V76-F96 HydrophobicContact CG1-CZ 4.2Å; V76-A100 HydrophobicContact CB-CB 3.82Å; V76-A100 HydrophobicContact CG1-CB 3.42Å; V76-A100 VanDerWaalsContact CG1-CB 3.42Å; V76-A100 HydrophobicContact CG2-CB 4.4Å; V76-V103 HydrophobicContact CG2-CB 4.06Å; V76-V103 HydrophobicContact CG2-CG1 3.95Å; V76-D104 PolarHBondContact N-OD1 3.24Å
77F68Low65.3Low13 Ų1393.2 Ų93.26%0.05749%0.486CS..SBendtrans-97.6104.2169.1-56.4-64.2000109.1Q75 Y81 Y88 L97 A100 K101 D104Q75-F77 VanDerWaalsContact CG-O 3.23Å; Q75-F77 WeakPolarHBondContact CG-O 3.32Å; Q75-F77 PolarHBondContact NE2-O 2.97Å; F77-Y81 HydrophobicContact CB-CD2 3.74Å; F77-Y81 HydrophobicContact CD1-CD2 4.47Å; F77-Y81 AromaticContact CD2-CD2 3.84Å; F77-Y81 HydrophobicContact CD2-CD2 3.84Å; F77-Y81 AromaticContact CD2-CE2 3.97Å; F77-Y81 HydrophobicContact CD2-CE2 3.97Å; F77-Y81 HydrophobicContact CE2-CE2 4.31Å; F77-Y81 AromaticContact CG-CD2 3.78Å; F77-Y81 HydrophobicContact CG-CD2 3.78Å; F77-Y81 HydrophobicContact CG-CE2 4.34Å; F77-Y88 HydrophobicContact CE1-CD2 4.32Å; F77-Y88 AromaticContact CE1-CE2 3.95Å; F77-Y88 HydrophobicContact CE1-CE2 3.95Å; F77-L97 HydrophobicContact CE1-CD2 4.13Å; F77-L97 HydrophobicContact CZ-CD2 3.7Å; F77-A100 HydrophobicContact CD2-CB 3.91Å; F77-A100 HydrophobicContact CE1-CB 4.11Å; F77-A100 HydrophobicContact CE2-CB 3.14Å; F77-A100 HydrophobicContact CZ-CB 3.25Å; F77-K101 HydrophobicContact CD2-CG 4.48Å; F77-K101 HydrophobicContact CE2-CG 3.86Å; F77-D104 WeakPolarHBondContact CA-OD2 3.42Å; F77-D104 VanDerWaalsContact CB-OD2 3.23Å; F77-D104 WeakPolarHBondContact CB-OD2 3.46Å; F77-D104 WeakPolarHBondContact CD2-OD2 3.25Å; F77-D104 PolarHBondContact N-OD2 3.46Å
78G63.4Low64.9Low40 Ų4092.2 Ų92.241%0.41247%0.474SS..  trans-60.4-167.516900000112.4H80 Y81G78-H80 PolarHBondContact O-N 3.48Å; G78-Y81 PolarHBondContact O-N 3.35Å
79L60.2Low65Low166 Ų16692.3 Ų92.387%0.86948%0.475SS*.THydrogen-bonded Turntrans-54.3-21-179.8-86.781000114.1Y81L79-Y81 VanDerWaalsContact C-N 3.28Å; L79-Y81 PolarHBondContact O-N 3.24Å
80H61.4Low64.9Low108 Ų10890.9 Ų90.950%0.548%0.481SS..THydrogen-bonded Turntrans-88.634.2-177.2-64-88.8000114.1G78 S82 E83 N84G78-H80 PolarHBondContact O-N 3.48Å; H80-S82 VanDerWaalsContact C-N 3.28Å; H80-S82 PolarHBondContact O-N 2.89Å; H80-E83 IonicContact CE1-OE2 3.62Å; H80-E83 IonicContact CG-OE2 3.68Å; H80-E83 IonicContact ND1-OE1 2.79Å; H80-E83 IonicContact ND1-OE2 2.71Å; H80-E83 PolarHBondContact ND1-OE2 3.3Å; H80-E83 PolarHBondContact O-N 2.86Å; H80-N84 PolarHBondContact O-N 3.47Å; H80-N84 PolarHBondContact O-ND2 2.88Å
81Y63.2Low65.1Low96 Ų9688.6 Ų88.638%0.37648%0.479SS..Hα-helixtrans-54-42.1-179.2173.5-91.8000113F77 G78 L79 E83 Y85 K101F77-Y81 HydrophobicContact CB-CD2 3.74Å; F77-Y81 HydrophobicContact CD1-CD2 4.47Å; F77-Y81 AromaticContact CD2-CD2 3.84Å; F77-Y81 HydrophobicContact CD2-CD2 3.84Å; F77-Y81 AromaticContact CD2-CE2 3.97Å; F77-Y81 HydrophobicContact CD2-CE2 3.97Å; F77-Y81 HydrophobicContact CE2-CE2 4.31Å; F77-Y81 AromaticContact CG-CD2 3.78Å; F77-Y81 HydrophobicContact CG-CD2 3.78Å; F77-Y81 HydrophobicContact CG-CE2 4.34Å; G78-Y81 PolarHBondContact O-N 3.35Å; L79-Y81 VanDerWaalsContact C-N 3.28Å; L79-Y81 PolarHBondContact O-N 3.24Å; Y81-E83 PolarHBondContact O-N 2.85Å; Y81-Y85 PolarHBondContact O-N 3.33Å; Y81-K101 HydrophobicContact CE2-CG 4.24Å; Y81-K101 WeakPolarHBondContact OH-CE 3.45Å; Y81-K101 PolarHBondContact OH-NZ 2.93Å
82S60.8Low65.4Low85 Ų8583 Ų8359%0.59448%0.477SS*.Hα-helixtrans-67.9-35.1-176.7490000113.3H80H80-S82 VanDerWaalsContact C-N 3.28Å; H80-S82 PolarHBondContact O-N 2.89Å
83E62.3Low65.9Low125 Ų12582.5 Ų82.558%0.58447%0.467SS*.Hα-helixtrans-75.7-31.3-174.8-67.1169.6-175.400112H80 Y81H80-E83 IonicContact CE1-OE2 3.62Å; H80-E83 IonicContact CG-OE2 3.68Å; H80-E83 IonicContact ND1-OE1 2.79Å; H80-E83 IonicContact ND1-OE2 2.71Å; H80-E83 PolarHBondContact ND1-OE2 3.3Å; H80-E83 PolarHBondContact O-N 2.86Å; Y81-E83 PolarHBondContact O-N 2.85Å
84N62.4Low66.3Low66 Ų6683.2 Ų83.235%0.35347%0.474SS..Hα-helixtrans-87.4-17-179-66.8-71.1000113.1H80 D86 V87 Y88H80-N84 PolarHBondContact O-N 3.47Å; H80-N84 PolarHBondContact O-ND2 2.88Å; N84-D86 PolarHBondContact O-N 2.98Å; N84-V87 PolarHBondContact O-N 2.69Å; N84-Y88 HydrophobicContact CB-CD2 4.3Å; N84-Y88 HydrophobicContact CB-CE2 3.88Å; N84-Y88 WeakPolarHBondContact O-CD2 3.41Å; N84-Y88 PolarHBondContact O-N 3.44Å
85Y65.5Low66.9Low87 Ų8782.4 Ų82.434%0.34147%0.467SS..Hα-helixtrans-60.9-41.8-174.9-173.3-105000113.1Y81 V87 T89 L97Y81-Y85 PolarHBondContact O-N 3.33Å; Y85-V87 VanDerWaalsContact C-N 3.33Å; Y85-V87 PolarHBondContact O-N 2.84Å; Y85-T89 PolarHBondContact O-N 3.33Å; Y85-T89 PolarHBondContact O-OG1 2.97Å; Y85-L97 HydrophobicContact CE2-CD1 4.38Å
86D65.3Low67.6Low116 Ų11681.1 Ų81.162%0.6246%0.46SS*.Hα-helixtrans-70-31.7-179.6-67.8-18000112.1N84 S90N84-D86 PolarHBondContact O-N 2.98Å; D86-S90 WeakPolarHBondContact O-CB 3.23Å; D86-S90 PolarHBondContact O-N 3.05Å; D86-S90 VanDerWaalsContact O-N 3.08Å; D86-S90 PolarHBondContact O-OG 3.16Å
87V68.3Low68.3Low85 Ų8578.3 Ų78.352%0.51544%0.443SS..Hα-helixtrans-66.7-47.7179.8-178.60000110.9N84 Y85 S90 A91N84-V87 PolarHBondContact O-N 2.69Å; Y85-V87 VanDerWaalsContact C-N 3.33Å; Y85-V87 PolarHBondContact O-N 2.84Å; V87-S90 PolarHBondContact O-OG 3.23Å; V87-A91 WeakPolarHBondContact O-CB 3.38Å; V87-A91 PolarHBondContact O-N 3.37Å; V87-A91 VanDerWaalsContact O-N 3.12Å
88Y66.7Low69.2Low57 Ų5779.2 Ų79.222%0.22445%0.446CS..Hα-helixtrans-74-32.9-178.3-67.3-69.6000113.1F77 N84 S90 A91 G92 E93 F96 L97F77-Y88 HydrophobicContact CE1-CD2 4.32Å; F77-Y88 AromaticContact CE1-CE2 3.95Å; F77-Y88 HydrophobicContact CE1-CE2 3.95Å; N84-Y88 HydrophobicContact CB-CD2 4.3Å; N84-Y88 HydrophobicContact CB-CE2 3.88Å; N84-Y88 WeakPolarHBondContact O-CD2 3.41Å; N84-Y88 PolarHBondContact O-N 3.44Å; Y88-S90 VanDerWaalsContact C-N 3.35Å; Y88-A91 PolarHBondContact O-N 3.45Å; Y88-G92 PolarHBondContact O-N 2.99Å; Y88-E93 HydrophobicContact CD1-CB 4.4Å; Y88-E93 PolarHBondContact O-N 3.46Å; Y88-F96 HydrophobicContact CD1-CD1 4.04Å; Y88-F96 AromaticContact CE1-CD1 3.74Å; Y88-F96 HydrophobicContact CE1-CD1 3.74Å; Y88-F96 AromaticContact CE1-CE1 3.83Å; Y88-F96 HydrophobicContact CE1-CE1 3.83Å; Y88-F96 AromaticContact CZ-CE1 3.9Å; Y88-L97 VanDerWaalsContact CB-CD2 3.4Å; Y88-L97 HydrophobicContact CD2-CD2 3.48Å; Y88-L97 VanDerWaalsContact CD2-CD2 3.48Å; Y88-L97 HydrophobicContact CD2-CG 4.37Å; Y88-L97 HydrophobicContact CE2-CD2 4.45Å; Y88-L97 HydrophobicContact CG-CD2 3.64Å; Y88-L97 HydrophobicContact CG-CG 4.03Å
89T68.9Low70.5Confident65 Ų6579.1 Ų79.140%0.39943%0.434SS..Hα-helixtrans-67.9-38.8177.3-52.90000110.7Y85Y85-T89 PolarHBondContact O-N 3.33Å; Y85-T89 PolarHBondContact O-OG1 2.97Å
90S64.1Low71.7Confident101 Ų10171.4 Ų71.471%0.70639%0.393SS*.Hα-helixtrans-73.2-27.1176.656.70000113.8D86 V87 Y88 G92D86-S90 WeakPolarHBondContact O-CB 3.23Å; D86-S90 PolarHBondContact O-N 3.05Å; D86-S90 VanDerWaalsContact O-N 3.08Å; D86-S90 PolarHBondContact O-OG 3.16Å; V87-S90 PolarHBondContact O-OG 3.23Å; Y88-S90 VanDerWaalsContact C-N 3.35Å; S90-G92 VanDerWaalsContact C-N 3.31Å; S90-G92 PolarHBondContact O-N 3.49Å
91A68.5Low72.9Confident64 Ų6467.3 Ų67.353%0.52937%0.374SS..THydrogen-bonded Turntrans-79.5-7.3177.100000114.5V87 Y88 E93V87-A91 WeakPolarHBondContact O-CB 3.38Å; V87-A91 PolarHBondContact O-N 3.37Å; V87-A91 VanDerWaalsContact O-N 3.12Å; Y88-A91 PolarHBondContact O-N 3.45Å; A91-E93 HydrophobicContact CB-CG 4.12Å; A91-E93 PolarHBondContact O-N 2.89Å
92G68.4Low74.2Confident60 Ų6062.8 Ų62.862%0.61936%0.356SS*.THydrogen-bonded Turntrans72.89.7-173.900000113.8Y88 S90 V94Y88-G92 PolarHBondContact O-N 2.99Å; S90-G92 VanDerWaalsContact C-N 3.31Å; S90-G92 PolarHBondContact O-N 3.49Å; G92-V94 PolarHBondContact O-N 3.23Å
93E71.8Confident75.5Confident99 Ų9959.3 Ų59.346%0.46333%0.332SS..  trans-84.641.4178.6-64.6-172.9167.900111.8Y88 A91 T95 F96 L97Y88-E93 HydrophobicContact CD1-CB 4.4Å; Y88-E93 PolarHBondContact O-N 3.46Å; A91-E93 HydrophobicContact CB-CG 4.12Å; A91-E93 PolarHBondContact O-N 2.89Å; E93-T95 PolarHBondContact O-N 2.83Å; E93-F96 HydrophobicContact CB-CB 4.47Å; E93-F96 PolarHBondContact O-N 3.38Å; E93-F96 VanDerWaalsContact O-N 3.15Å; E93-L97 PolarHBondContact O-N 3.07Å
94V75.5Confident76.7Confident56 Ų5654.3 Ų54.334%0.33931%0.309SS..Hα-helixtrans-63.7-29.3-174.3177.40000111.6G92 L97 Y98G92-V94 PolarHBondContact O-N 3.23Å; V94-L97 WeakPolarHBondContact O-CB 3.38Å; V94-L97 PolarHBondContact O-N 3.35Å; V94-Y98 HydrophobicContact CG1-CD2 3.83Å; V94-Y98 HydrophobicContact CG1-CE2 3.26Å; V94-Y98 WeakPolarHBondContact O-CD2 3.38Å; V94-Y98 PolarHBondContact O-N 3.3Å
95T80.7Confident77.9Confident66 Ų6653.8 Ų53.841%0.40530%0.304SS..Hα-helixtrans-68.5-39176.754.40000112.5E93 L97 Y98 R99 P165 F166E93-T95 PolarHBondContact O-N 2.83Å; T95-L97 VanDerWaalsContact C-N 3.32Å; T95-L97 PolarHBondContact O-N 3.07Å; T95-Y98 PolarHBondContact O-N 3.08Å; T95-R99 VanDerWaalsContact O-CG 3.27Å; T95-R99 WeakPolarHBondContact O-CG 3.24Å; T95-R99 PolarHBondContact O-N 3.25Å; T95-R99 VanDerWaalsContact O-N 3.14Å; T95-P165 HydrophobicContact CG2-CB 4.39Å; T95-F166 VanDerWaalsContact CA-O 3.24Å; T95-F166 WeakPolarHBondContact CA-O 3.43Å; T95-F166 WeakPolarHBondContact CB-O 3.36Å
96F84Confident78.9Confident85 Ų8549.9 Ų49.937%0.37329%0.289SS..Hα-helixtrans-64.3-40.2176.1179.4-100.1000111V76 Y88 E93 Y98 R99 A100V76-F96 HydrophobicContact CG1-CZ 4.2Å; Y88-F96 HydrophobicContact CD1-CD1 4.04Å; Y88-F96 AromaticContact CE1-CD1 3.74Å; Y88-F96 HydrophobicContact CE1-CD1 3.74Å; Y88-F96 AromaticContact CE1-CE1 3.83Å; Y88-F96 HydrophobicContact CE1-CE1 3.83Å; Y88-F96 AromaticContact CZ-CE1 3.9Å; E93-F96 HydrophobicContact CB-CB 4.47Å; E93-F96 PolarHBondContact O-N 3.38Å; E93-F96 VanDerWaalsContact O-N 3.15Å; F96-Y98 PolarHBondContact O-N 2.92Å; F96-R99 WeakPolarHBondContact O-CB 3.4Å; F96-R99 PolarHBondContact O-N 3.14Å; F96-A100 HydrophobicContact CE1-CB 4.45Å; F96-A100 WeakPolarHBondContact O-CB 3.47Å; F96-A100 PolarHBondContact O-N 3.38Å
97L84.9Confident79.9Confident5 Ų546.1 Ų46.13%0.02627%0.269CS..Hα-helixtrans-54.9-51.6175.5-77.1175.6000112.3F77 Y85 Y88 E93 V94 T95 R99 A100 K101F77-L97 HydrophobicContact CE1-CD2 4.13Å; F77-L97 HydrophobicContact CZ-CD2 3.7Å; Y85-L97 HydrophobicContact CE2-CD1 4.38Å; Y88-L97 VanDerWaalsContact CB-CD2 3.4Å; Y88-L97 HydrophobicContact CD2-CD2 3.48Å; Y88-L97 VanDerWaalsContact CD2-CD2 3.48Å; Y88-L97 HydrophobicContact CD2-CG 4.37Å; Y88-L97 HydrophobicContact CE2-CD2 4.45Å; Y88-L97 HydrophobicContact CG-CD2 3.64Å; Y88-L97 HydrophobicContact CG-CG 4.03Å; E93-L97 PolarHBondContact O-N 3.07Å; V94-L97 WeakPolarHBondContact O-CB 3.38Å; V94-L97 PolarHBondContact O-N 3.35Å; T95-L97 VanDerWaalsContact C-N 3.32Å; T95-L97 PolarHBondContact O-N 3.07Å; L97-R99 VanDerWaalsContact C-N 3.31Å; L97-R99 PolarHBondContact O-N 3.29Å; L97-A100 PolarHBondContact O-N 2.84Å; L97-K101 WeakPolarHBondContact O-CB 3.45Å; L97-K101 VanDerWaalsContact O-CG 3.28Å; L97-K101 WeakPolarHBondContact O-CG 3.41Å; L97-K101 PolarHBondContact O-N 3.36Å
98Y87.3Confident80.7Confident31 Ų3147.4 Ų47.412%0.12227%0.271CS..Hα-helixtrans-65.9-34.7-178.6-70.5-55.8000112.6V94 T95 F96 T102 E168 Y171V94-Y98 HydrophobicContact CG1-CD2 3.83Å; V94-Y98 HydrophobicContact CG1-CE2 3.26Å; V94-Y98 WeakPolarHBondContact O-CD2 3.38Å; V94-Y98 PolarHBondContact O-N 3.3Å; T95-Y98 PolarHBondContact O-N 3.08Å; F96-Y98 PolarHBondContact O-N 2.92Å; Y98-T102 WeakPolarHBondContact O-CB 3.44Å; Y98-T102 PolarHBondContact O-N 3.4Å; Y98-T102 PolarHBondContact O-OG1 2.6Å; Y98-E168 HydrophobicContact CD2-CB 4.33Å; Y98-E168 HydrophobicContact CE1-CB 4.09Å; Y98-E168 HydrophobicContact CE1-CG 3.97Å; Y98-E168 HydrophobicContact CE2-CB 3.56Å; Y98-E168 HydrophobicContact CE2-CG 4.27Å; Y98-E168 VanDerWaalsContact CZ-CB 3.45Å; Y98-E168 WeakPolarHBondContact OH-CB 3.31Å; Y98-E168 VanDerWaalsContact OH-CD 3.3Å; Y98-E168 WeakPolarHBondContact OH-CG 3.28Å; Y98-Y171 AromaticContact CD1-CD1 3.54Å; Y98-Y171 HydrophobicContact CD1-CD1 3.54Å; Y98-Y171 HydrophobicContact CD1-CE1 4.33Å; Y98-Y171 AromaticContact CD1-CG 3.64Å; Y98-Y171 HydrophobicContact CD1-CG 3.64Å; Y98-Y171 AromaticContact CE1-CD1 3.87Å; Y98-Y171 HydrophobicContact CE1-CD1 3.87Å; Y98-Y171 HydrophobicContact CE1-CG 4.39Å; Y98-Y171 HydrophobicContact CG-CG 4.42Å
99R89.6Confident81.6Confident39 Ų3944.7 Ų44.715%0.14726%0.26CS..Hα-helixtrans-62.7-51.9173.8-71.1171.4169.4-94.27.8111.8T95 F96 L97 K101 T102 V103 W158 A159 D162 N164 F166T95-R99 VanDerWaalsContact O-CG 3.27Å; T95-R99 WeakPolarHBondContact O-CG 3.24Å; T95-R99 PolarHBondContact O-N 3.25Å; T95-R99 VanDerWaalsContact O-N 3.14Å; F96-R99 WeakPolarHBondContact O-CB 3.4Å; F96-R99 PolarHBondContact O-N 3.14Å; L97-R99 VanDerWaalsContact C-N 3.31Å; L97-R99 PolarHBondContact O-N 3.29Å; R99-K101 VanDerWaalsContact C-N 3.33Å; R99-K101 PolarHBondContact O-N 3.03Å; R99-T102 WeakPolarHBondContact O-CB 2.88Å; R99-T102 PolarHBondContact O-N 3.44Å; R99-T102 VanDerWaalsContact O-N 3.15Å; R99-V103 PolarHBondContact O-N 2.89Å; R99-V103 VanDerWaalsContact O-N 3.1Å; R99-W158 PolarHBondContact NH1-O 2.93Å; R99-A159 HydrophobicContact CB-CB 4.45Å; R99-A159 HydrophobicContact CG-CB 4.41Å; R99-A159 WeakPolarHBondContact CG-O 3.27Å; R99-A159 PolarHBondContact NH1-O 3.22Å; R99-D162 VanDerWaalsContact CZ-O 3.24Å; R99-D162 PolarHBondContact NH1-O 2.97Å; R99-D162 PolarHBondContact NH2-O 2.87Å; R99-N164 PolarHBondContact NH2-O 2.82Å; R99-F166 HydrophobicContact CG-CB 3.69Å; R99-F166 HydrophobicContact CG-CD1 3.88Å; R99-F166 HydrophobicContact CG-CG 3.97Å
100A85.9Confident82.4Confident3 Ų343.2 Ų43.23%0.02525%0.248CC..Hα-helixtrans-62.1-41.2179.900000111.6V76 F77 F96 L97 T102 V103 D104V76-A100 HydrophobicContact CB-CB 3.82Å; V76-A100 HydrophobicContact CG1-CB 3.42Å; V76-A100 VanDerWaalsContact CG1-CB 3.42Å; V76-A100 HydrophobicContact CG2-CB 4.4Å; F77-A100 HydrophobicContact CD2-CB 3.91Å; F77-A100 HydrophobicContact CE1-CB 4.11Å; F77-A100 HydrophobicContact CE2-CB 3.14Å; F77-A100 HydrophobicContact CZ-CB 3.25Å; F96-A100 HydrophobicContact CE1-CB 4.45Å; F96-A100 WeakPolarHBondContact O-CB 3.47Å; F96-A100 PolarHBondContact O-N 3.38Å; L97-A100 PolarHBondContact O-N 2.84Å; A100-T102 VanDerWaalsContact C-N 3.31Å; A100-T102 PolarHBondContact O-N 3.27Å; A100-V103 PolarHBondContact O-N 3.39Å; A100-D104 PolarHBondContact O-N 3.1Å
101K87.3Confident83.4Confident23 Ų2344.7 Ų44.710%0.124%0.244CC..Hα-helixtrans-60.4-41.5174.3-74.2-176-169.7-159.80111.7F77 Y81 L97 R99 V103 D104 Q105 Y171F77-K101 HydrophobicContact CD2-CG 4.48Å; F77-K101 HydrophobicContact CE2-CG 3.86Å; Y81-K101 HydrophobicContact CE2-CG 4.24Å; Y81-K101 WeakPolarHBondContact OH-CE 3.45Å; Y81-K101 PolarHBondContact OH-NZ 2.93Å; L97-K101 WeakPolarHBondContact O-CB 3.45Å; L97-K101 VanDerWaalsContact O-CG 3.28Å; L97-K101 WeakPolarHBondContact O-CG 3.41Å; L97-K101 PolarHBondContact O-N 3.36Å; R99-K101 VanDerWaalsContact C-N 3.33Å; R99-K101 PolarHBondContact O-N 3.03Å; K101-V103 VanDerWaalsContact C-N 3.33Å; K101-V103 PolarHBondContact O-N 3.38Å; K101-D104 PolarHBondContact O-N 3.14Å; K101-Q105 WeakPolarHBondContact O-CB 3.48Å; K101-Q105 WeakPolarHBondContact O-CG 3.35Å; K101-Q105 PolarHBondContact O-N 2.84Å; K101-Y171 HydrophobicContact CB-CD2 4.14Å; K101-Y171 HydrophobicContact CB-CE2 3.46Å; K101-Y171 VanDerWaalsContact CB-CE2 3.46Å; K101-Y171 HydrophobicContact CD-CE1 4.04Å; K101-Y171 HydrophobicContact CD-CE2 4.33Å
102T90.7Very high84.2Confident0 Ų042.4 Ų42.40%023%0.225CC..Hα-helixtrans-61-43.2178.2-58.50000111.3Y98 R99 A100 F106 Y156 A159 F166 Y171 F174Y98-T102 WeakPolarHBondContact O-CB 3.44Å; Y98-T102 PolarHBondContact O-N 3.4Å; Y98-T102 PolarHBondContact O-OG1 2.6Å; R99-T102 WeakPolarHBondContact O-CB 2.88Å; R99-T102 PolarHBondContact O-N 3.44Å; R99-T102 VanDerWaalsContact O-N 3.15Å; A100-T102 VanDerWaalsContact C-N 3.31Å; A100-T102 PolarHBondContact O-N 3.27Å; T102-F106 PolarHBondContact O-N 2.79Å; T102-F106 VanDerWaalsContact O-N 3.11Å; T102-Y156 HydrophobicContact CG2-CD2 4.5Å; T102-A159 HydrophobicContact CG2-CB 3.59Å; T102-F166 HydrophobicContact CG2-CZ 4.15Å; T102-F166 WeakPolarHBondContact OG1-CE1 3.4Å; T102-F166 VanDerWaalsContact OG1-CZ 3.29Å; T102-F166 WeakPolarHBondContact OG1-CZ 3.48Å; T102-Y171 WeakPolarHBondContact OG1-CD2 3.43Å; T102-F174 HydrophobicContact CG2-CD1 3.78Å; T102-F174 HydrophobicContact CG2-CD2 3.72Å; T102-F174 HydrophobicContact CG2-CE1 3.75Å; T102-F174 HydrophobicContact CG2-CE2 3.68Å; T102-F174 HydrophobicContact CG2-CG 3.75Å; T102-F174 HydrophobicContact CG2-CZ 3.67Å
103V88.1Confident85Confident13 Ų1339.6 Ų39.68%0.07920%0.196CC..Hα-helixtrans-63.7-48.3178177.10000110.8V76 R99 A100 K101 Q105 F106 L107 Y156V76-V103 HydrophobicContact CG2-CB 4.06Å; V76-V103 HydrophobicContact CG2-CG1 3.95Å; R99-V103 PolarHBondContact O-N 2.89Å; R99-V103 VanDerWaalsContact O-N 3.1Å; A100-V103 PolarHBondContact O-N 3.39Å; K101-V103 VanDerWaalsContact C-N 3.33Å; K101-V103 PolarHBondContact O-N 3.38Å; V103-Q105 VanDerWaalsContact C-N 3.34Å; V103-Q105 PolarHBondContact O-N 2.75Å; V103-F106 WeakPolarHBondContact O-CB 3.44Å; V103-F106 PolarHBondContact O-N 2.71Å; V103-L107 HydrophobicContact CG1-CD1 4.35Å; V103-L107 WeakPolarHBondContact O-CD1 3.4Å; V103-L107 PolarHBondContact O-N 3.2Å; V103-Y156 HydrophobicContact CG2-CE2 4.43Å
104D87Confident85.6Confident20 Ų2035.6 Ų35.611%0.10718%0.177CC..Hα-helixtrans-65.6-37.7-179.8-69.9-15.3000112.8Q75 V76 F77 A100 K101 F106 L107 M108Q75-D104 VanDerWaalsContact CA-OD1 3.31Å; Q75-D104 WeakPolarHBondContact CA-OD1 3.08Å; Q75-D104 VanDerWaalsContact CG-OD1 3.28Å; Q75-D104 WeakPolarHBondContact CG-OD1 3.44Å; V76-D104 PolarHBondContact N-OD1 3.24Å; F77-D104 WeakPolarHBondContact CA-OD2 3.42Å; F77-D104 VanDerWaalsContact CB-OD2 3.23Å; F77-D104 WeakPolarHBondContact CB-OD2 3.46Å; F77-D104 WeakPolarHBondContact CD2-OD2 3.25Å; F77-D104 PolarHBondContact N-OD2 3.46Å; A100-D104 PolarHBondContact O-N 3.1Å; K101-D104 PolarHBondContact O-N 3.14Å; D104-F106 VanDerWaalsContact C-N 3.33Å; D104-F106 PolarHBondContact O-N 3.24Å; D104-L107 WeakPolarHBondContact O-CB 3.45Å; D104-L107 PolarHBondContact O-N 3.05Å; D104-L107 VanDerWaalsContact O-N 3.14Å; D104-M108 PolarHBondContact O-N 2.61Å
105Q86.9Confident86Confident54 Ų5437 Ų3725%0.25219%0.19SC..Hα-helixtrans-62.4-39.8175.2-80.2-61.4-19.700112K101 V103 L107 M108 L109 Y171 F174 Q178K101-Q105 WeakPolarHBondContact O-CB 3.48Å; K101-Q105 WeakPolarHBondContact O-CG 3.35Å; K101-Q105 PolarHBondContact O-N 2.84Å; V103-Q105 VanDerWaalsContact C-N 3.34Å; V103-Q105 PolarHBondContact O-N 2.75Å; Q105-L107 VanDerWaalsContact C-N 3.25Å; Q105-L107 PolarHBondContact O-N 3.3Å; Q105-M108 WeakPolarHBondContact O-CB 3.28Å; Q105-M108 PolarHBondContact O-N 3.18Å; Q105-M108 PolarHBondContact OE1-SD 3.36Å; Q105-L109 PolarHBondContact O-N 3.47Å; Q105-Y171 HydrophobicContact CG-CE2 4.35Å; Q105-F174 HydrophobicContact CB-CE1 3.82Å; Q105-Q178 PolarHBondContact O-NE2 3.34Å
106F88Confident86.1Confident6 Ų637.1 Ų37.13%0.02619%0.187CC..Hα-helixtrans-59.1-36.6173.8171.9-109.6000112.6E73 T102 V103 D104 M108 L109 K110 I128 F131 Y152 Y156 F174E73-F106 HydrophobicContact CG-CE1 4.38Å; T102-F106 PolarHBondContact O-N 2.79Å; T102-F106 VanDerWaalsContact O-N 3.11Å; V103-F106 WeakPolarHBondContact O-CB 3.44Å; V103-F106 PolarHBondContact O-N 2.71Å; D104-F106 VanDerWaalsContact C-N 3.33Å; D104-F106 PolarHBondContact O-N 3.24Å; F106-M108 PolarHBondContact O-N 2.87Å; F106-L109 PolarHBondContact O-N 3.42Å; F106-K110 HydrophobicContact CE1-CB 4.44Å; F106-K110 HydrophobicContact CE1-CD 4.45Å; F106-K110 HydrophobicContact CZ-CB 4.3Å; F106-K110 WeakPolarHBondContact O-CB 3.26Å; F106-K110 PolarHBondContact O-N 3.03Å; F106-I128 HydrophobicContact CD1-CD1 4.29Å; F106-I128 HydrophobicContact CD2-CD1 3.51Å; F106-I128 HydrophobicContact CD2-CG1 4.36Å; F106-I128 HydrophobicContact CE1-CD1 4.03Å; F106-I128 HydrophobicContact CE1-CG1 4.45Å; F106-I128 HydrophobicContact CE2-CD1 3.22Å; F106-I128 HydrophobicContact CE2-CG1 3.57Å; F106-I128 HydrophobicContact CG-CD1 4.05Å; F106-I128 HydrophobicContact CZ-CD1 3.51Å; F106-I128 HydrophobicContact CZ-CG1 3.62Å; F106-F131 HydrophobicContact CZ-CD1 4.36Å; F106-F131 HydrophobicContact CZ-CE1 4.47Å; F106-Y152 AromaticContact CD2-CE1 3.99Å; F106-Y152 HydrophobicContact CD2-CE1 3.99Å; F106-Y156 HydrophobicContact CB-CD2 3.66Å; F106-Y156 HydrophobicContact CB-CE2 3.4Å; F106-Y156 VanDerWaalsContact CB-CE2 3.4Å; F106-Y156 HydrophobicContact CD1-CD2 4.32Å; F106-Y156 HydrophobicContact CD1-CE1 4.43Å; F106-Y156 AromaticContact CD1-CE2 3.52Å; F106-Y156 HydrophobicContact CD1-CE2 3.52Å; F106-Y156 AromaticContact CD1-CZ 3.56Å; F106-Y156 WeakPolarHBondContact CD1-OH 3.49Å; F106-Y156 HydrophobicContact CD2-CE2 4.5Å; F106-Y156 HydrophobicContact CE1-CE2 4.44Å; F106-Y156 AromaticContact CG-CD2 3.92Å; F106-Y156 HydrophobicContact CG-CD2 3.92Å; F106-Y156 AromaticContact CG-CE2 3.54Å; F106-Y156 HydrophobicContact CG-CE2 3.54Å; F106-F174 HydrophobicContact CB-CZ 4.37Å
107L85Confident85.8Confident37 Ų3734.9 Ų34.919%0.19418%0.18CC..Hα-helixtrans-59.4-37.3175.1-82.374.6000111.5E73 Q75 V103 D104 Q105 K110 Q111E73-L107 HydrophobicContact CB-CD1 3.74Å; E73-L107 HydrophobicContact CB-CG 4.13Å; Q75-L107 HydrophobicContact CB-CD2 4.11Å; Q75-L107 HydrophobicContact CG-CD2 4.47Å; V103-L107 HydrophobicContact CG1-CD1 4.35Å; V103-L107 WeakPolarHBondContact O-CD1 3.4Å; V103-L107 PolarHBondContact O-N 3.2Å; D104-L107 WeakPolarHBondContact O-CB 3.45Å; D104-L107 PolarHBondContact O-N 3.05Å; D104-L107 VanDerWaalsContact O-N 3.14Å; Q105-L107 VanDerWaalsContact C-N 3.25Å; Q105-L107 PolarHBondContact O-N 3.3Å; L107-K110 PolarHBondContact O-N 2.91Å; L107-Q111 WeakPolarHBondContact O-CB 3.31Å; L107-Q111 PolarHBondContact O-N 3.49Å
108M84.5Confident85.6Confident112 Ų11239.1 Ų39.155%0.55221%0.207SC*.Hα-helixtrans-62.7-45.7176.1-61.3-174.164.500111.7D104 Q105 F106 Q111 A112D104-M108 PolarHBondContact O-N 2.61Å; Q105-M108 WeakPolarHBondContact O-CB 3.28Å; Q105-M108 PolarHBondContact O-N 3.18Å; Q105-M108 PolarHBondContact OE1-SD 3.36Å; F106-M108 PolarHBondContact O-N 2.87Å; M108-Q111 PolarHBondContact O-N 3.34Å; M108-A112 PolarHBondContact O-N 3.08Å
109L86.1Confident85.1Confident0 Ų042.7 Ų42.70%023%0.233CC..Hα-helixtrans-64.8-44.1176.8178.965.1000111.2Q105 F106 Q111 A112 I113 L132 Y152 Q178 L181 L182Q105-L109 PolarHBondContact O-N 3.47Å; F106-L109 PolarHBondContact O-N 3.42Å; L109-Q111 VanDerWaalsContact C-N 3.34Å; L109-Q111 PolarHBondContact O-N 3.46Å; L109-A112 PolarHBondContact O-N 2.93Å; L109-I113 HydrophobicContact CD1-CD1 4.12Å; L109-I113 HydrophobicContact CD1-CG1 4.36Å; L109-I113 HydrophobicContact CD2-CD1 4.5Å; L109-I113 HydrophobicContact CG-CD1 3.92Å; L109-I113 WeakPolarHBondContact O-CG1 3.29Å; L109-I113 PolarHBondContact O-N 3.1Å; L109-L132 HydrophobicContact CD2-CD2 4.13Å; L109-Y152 HydrophobicContact CD2-CE1 3.8Å; L109-Y152 HydrophobicContact CD2-CE2 4.37Å; L109-Y152 WeakPolarHBondContact CD2-OH 3.45Å; L109-Q178 HydrophobicContact CB-CG 4.39Å; L109-L181 HydrophobicContact CD1-CB 4.11Å; L109-L181 HydrophobicContact CD2-CB 4.28Å; L109-L181 HydrophobicContact CD2-CD1 3.9Å; L109-L182 HydrophobicContact CD1-CD1 4.3Å
110K87.2Confident84.4Confident34 Ų3441.3 Ų41.315%0.14823%0.228CC..Hα-helixtrans-56.9-49.2176.5-174.6-171.6171.5-165.90110.1R71 F106 L107 A112 I113 L114 E121 F131R71-K110 PolarHBondContact O-NZ 2.87Å; R71-K110 VanDerWaalsContact O-NZ 3.15Å; F106-K110 HydrophobicContact CE1-CB 4.44Å; F106-K110 HydrophobicContact CE1-CD 4.45Å; F106-K110 HydrophobicContact CZ-CB 4.3Å; F106-K110 WeakPolarHBondContact O-CB 3.26Å; F106-K110 PolarHBondContact O-N 3.03Å; L107-K110 PolarHBondContact O-N 2.91Å; K110-A112 VanDerWaalsContact C-N 3.33Å; K110-A112 PolarHBondContact O-N 3.43Å; K110-I113 PolarHBondContact O-N 2.71Å; K110-L114 HydrophobicContact CD-CD1 4.42Å; K110-L114 HydrophobicContact CG-CD1 3.97Å; K110-L114 HydrophobicContact CG-CG 4.38Å; K110-L114 WeakPolarHBondContact O-CB 3.24Å; K110-L114 VanDerWaalsContact O-CG 3.25Å; K110-L114 WeakPolarHBondContact O-CG 3.24Å; K110-L114 PolarHBondContact O-N 3.09Å; K110-E121 VanDerWaalsContact CE-OE1 3.29Å; K110-E121 WeakPolarHBondContact CE-OE1 3.47Å; K110-E121 IonicContact NZ-OE1 2.81Å; K110-E121 PolarHBondContact NZ-OE1 2.71Å; K110-F131 HydrophobicContact CB-CE1 4.5Å; K110-F131 HydrophobicContact CG-CE1 4.17Å; K110-F131 HydrophobicContact CG-CZ 3.97Å
111Q84.1Confident83.6Confident132 Ų13245.1 Ų45.162%0.61725%0.245SC*.Hα-helixtrans-61.7-40.4179.4-171.263.224.800112.1L107 M108 L109 L114 S115L107-Q111 WeakPolarHBondContact O-CB 3.31Å; L107-Q111 PolarHBondContact O-N 3.49Å; M108-Q111 PolarHBondContact O-N 3.34Å; L109-Q111 VanDerWaalsContact C-N 3.34Å; L109-Q111 PolarHBondContact O-N 3.46Å; Q111-L114 PolarHBondContact O-N 2.82Å; Q111-S115 WeakPolarHBondContact O-CB 3.34Å; Q111-S115 PolarHBondContact O-N 2.77Å
112A84.9Confident82.2Confident16 Ų1647.2 Ų47.213%0.13227%0.267CS..Hα-helixtrans-61.4-49.1175.100000111.2M108 L109 K110 L114 S115 L116 L182 V185M108-A112 PolarHBondContact O-N 3.08Å; L109-A112 PolarHBondContact O-N 2.93Å; K110-A112 VanDerWaalsContact C-N 3.33Å; K110-A112 PolarHBondContact O-N 3.43Å; A112-L114 VanDerWaalsContact C-N 3.34Å; A112-L114 PolarHBondContact O-N 3.47Å; A112-S115 PolarHBondContact O-N 2.64Å; A112-S115 VanDerWaalsContact O-N 3.17Å; A112-S115 PolarHBondContact O-OG 2.91Å; A112-L116 WeakPolarHBondContact O-CD1 3.27Å; A112-L116 PolarHBondContact O-N 3Å; A112-L182 HydrophobicContact CB-CD1 3.5Å; A112-L182 VanDerWaalsContact CB-CD1 3.5Å; A112-V185 HydrophobicContact CB-CG1 4.29Å
113I85.3Confident80.5Confident0 Ų052.2 Ų52.20%030%0.299CS..Hα-helixtrans-59.3-44.9177.8-68.8169.7000111.3L109 K110 S115 L116 D117 L120 F131 L132 A135 I139 M140 V185L109-I113 HydrophobicContact CD1-CD1 4.12Å; L109-I113 HydrophobicContact CD1-CG1 4.36Å; L109-I113 HydrophobicContact CD2-CD1 4.5Å; L109-I113 HydrophobicContact CG-CD1 3.92Å; L109-I113 WeakPolarHBondContact O-CG1 3.29Å; L109-I113 PolarHBondContact O-N 3.1Å; K110-I113 PolarHBondContact O-N 2.71Å; I113-S115 VanDerWaalsContact C-N 3.28Å; I113-S115 PolarHBondContact O-N 2.9Å; I113-L116 PolarHBondContact O-N 2.91Å; I113-D117 PolarHBondContact O-N 3.19Å; I113-D117 VanDerWaalsContact O-N 3.14Å; I113-L120 HydrophobicContact CG2-CD2 4.39Å; I113-F131 HydrophobicContact CB-CZ 4.09Å; I113-F131 HydrophobicContact CD1-CE1 3.96Å; I113-F131 HydrophobicContact CD1-CZ 4.23Å; I113-F131 HydrophobicContact CG2-CE1 4.44Å; I113-F131 HydrophobicContact CG2-CE2 4.25Å; I113-F131 HydrophobicContact CG2-CZ 3.69Å; I113-L132 HydrophobicContact CD1-CD2 3.67Å; I113-A135 HydrophobicContact CD1-CB 4.09Å; I113-A135 HydrophobicContact CG2-CB 3.73Å; I113-I139 HydrophobicContact CG2-CD1 3.64Å; I113-M140 HydrophobicContact CD1-CE 3.73Å; I113-M140 HydrophobicContact CG1-CE 4.15Å; I113-V185 HydrophobicContact CG1-CG1 4.47Å; I113-V185 HydrophobicContact CG1-CG2 3.94Å
114L84.3Confident78.9Confident15 Ų1554.7 Ų54.78%0.07932%0.316CS..Hα-helixtrans-69.6-24.9179.6-67.4-178.6000113.7K110 Q111 A112 L116 D117 L120 E121 F131K110-L114 HydrophobicContact CD-CD1 4.42Å; K110-L114 HydrophobicContact CG-CD1 3.97Å; K110-L114 HydrophobicContact CG-CG 4.38Å; K110-L114 WeakPolarHBondContact O-CB 3.24Å; K110-L114 VanDerWaalsContact O-CG 3.25Å; K110-L114 WeakPolarHBondContact O-CG 3.24Å; K110-L114 PolarHBondContact O-N 3.09Å; Q111-L114 PolarHBondContact O-N 2.82Å; A112-L114 VanDerWaalsContact C-N 3.34Å; A112-L114 PolarHBondContact O-N 3.47Å; L114-L116 VanDerWaalsContact C-N 3.28Å; L114-D117 CarbonylContact O-C 3.49Å; L114-L120 HydrophobicContact CD2-CB 4.45Å; L114-E121 HydrophobicContact CD1-CB 4.3Å; L114-E121 VanDerWaalsContact CD1-CD 3.42Å; L114-E121 HydrophobicContact CD1-CG 4.28Å; L114-E121 VanDerWaalsContact CD1-OE2 3.24Å; L114-E121 WeakPolarHBondContact CD1-OE2 3.42Å; L114-E121 HydrophobicContact CD2-CB 3.63Å; L114-E121 HydrophobicContact CD2-CG 4.41Å; L114-F131 HydrophobicContact CD2-CE2 4.15Å; L114-F131 HydrophobicContact CD2-CZ 4.49Å
115S84.1Confident77.3Confident87 Ų8760 Ų6061%0.60834%0.344SS*.Hα-helixtrans-69.3-27.2173.175.40000112.7Q111 A112 I113Q111-S115 WeakPolarHBondContact O-CB 3.34Å; Q111-S115 PolarHBondContact O-N 2.77Å; A112-S115 PolarHBondContact O-N 2.64Å; A112-S115 VanDerWaalsContact O-N 3.17Å; A112-S115 PolarHBondContact O-OG 2.91Å; I113-S115 VanDerWaalsContact C-N 3.28Å; I113-S115 PolarHBondContact O-N 2.9Å
116L82.2Confident76.2Confident67 Ų6762.5 Ų62.535%0.35135%0.35SS..Hα-helixtrans-83-45.5174.4-78.186.2000112.1A112 I113 L114 I139 V185 T188A112-L116 WeakPolarHBondContact O-CD1 3.27Å; A112-L116 PolarHBondContact O-N 3Å; I113-L116 PolarHBondContact O-N 2.91Å; L114-L116 VanDerWaalsContact C-N 3.28Å; L116-I139 HydrophobicContact CB-CG2 3.74Å; L116-I139 HydrophobicContact CD2-CG2 3.47Å; L116-I139 VanDerWaalsContact CD2-CG2 3.47Å; L116-I139 HydrophobicContact CG-CG2 4.14Å; L116-V185 HydrophobicContact CD1-CG1 3.48Å; L116-V185 VanDerWaalsContact CD1-CG1 3.48Å; L116-V185 HydrophobicContact CD2-CG1 4.28Å; L116-V185 WeakPolarHBondContact CD2-O 3.39Å; L116-T188 WeakPolarHBondContact CD2-O 3.44Å
117D78.9Confident75.7Confident39 Ų3965.7 Ų65.721%0.20937%0.368CS..  trans-138.699.4177.9-176.20000111.2I113 L114 T119 L120 I139I113-D117 PolarHBondContact O-N 3.19Å; I113-D117 VanDerWaalsContact O-N 3.14Å; L114-D117 CarbonylContact O-C 3.49Å; D117-T119 VanDerWaalsContact CG-OG1 3.29Å; D117-T119 PolarHBondContact O-N 3.22Å; D117-T119 WeakPolarHBondContact OD1-CA 3.43Å; D117-T119 VanDerWaalsContact OD1-CB 3.26Å; D117-T119 WeakPolarHBondContact OD1-CB 3.45Å; D117-T119 WeakPolarHBondContact OD1-CG2 3.29Å; D117-T119 PolarHBondContact OD1-N 3.01Å; D117-T119 PolarHBondContact OD1-OG1 3.26Å; D117-T119 PolarHBondContact OD2-OG1 2.94Å; D117-L120 HydrophobicContact CB-CD1 3.63Å; D117-L120 PolarHBondContact O-N 3.39Å; D117-L120 WeakPolarHBondContact OD2-CD1 3.43Å; D117-I139 HydrophobicContact CB-CD1 3.73Å; D117-I139 HydrophobicContact CB-CG1 3.95Å
118P80Confident75.7Confident94 Ų9464.5 Ų64.561%0.6136%0.362SS*.G310 helixtrans-68.8-12.9178.928.2-34.6000112.6L120 E121P118-L120 VanDerWaalsContact C-N 3.3Å; P118-L120 PolarHBondContact O-N 3.38Å; P118-E121 PolarHBondContact O-N 3.4Å
119T76.1Confident75.8Confident106 Ų10663.6 Ų63.665%0.6535%0.352SS*.G310 helixtrans-77.5-15.5-179.375.70000113.2D117 E121D117-T119 VanDerWaalsContact CG-OG1 3.29Å; D117-T119 PolarHBondContact O-N 3.22Å; D117-T119 WeakPolarHBondContact OD1-CA 3.43Å; D117-T119 VanDerWaalsContact OD1-CB 3.26Å; D117-T119 WeakPolarHBondContact OD1-CB 3.45Å; D117-T119 WeakPolarHBondContact OD1-CG2 3.29Å; D117-T119 PolarHBondContact OD1-N 3.01Å; D117-T119 PolarHBondContact OD1-OG1 3.26Å; D117-T119 PolarHBondContact OD2-OG1 2.94Å; T119-E121 PolarHBondContact O-N 3.12Å
120L76.7Confident75.8Confident10 Ų1067 Ų675%0.05237%0.371CS..G310 helixtrans-67.6-18.2172.6-8879.6000112.9I113 L114 D117 P118 A122 F131 T134 A135 N138 I139I113-L120 HydrophobicContact CG2-CD2 4.39Å; L114-L120 HydrophobicContact CD2-CB 4.45Å; D117-L120 HydrophobicContact CB-CD1 3.63Å; D117-L120 PolarHBondContact O-N 3.39Å; D117-L120 WeakPolarHBondContact OD2-CD1 3.43Å; P118-L120 VanDerWaalsContact C-N 3.3Å; P118-L120 PolarHBondContact O-N 3.38Å; L120-A122 PolarHBondContact O-N 2.98Å; L120-A122 VanDerWaalsContact O-N 3.14Å; L120-F131 HydrophobicContact CB-CE2 4.37Å; L120-T134 HydrophobicContact CD2-CG2 4.06Å; L120-T134 HydrophobicContact CG-CG2 4.22Å; L120-A135 HydrophobicContact CD2-CB 3.74Å; L120-N138 HydrophobicContact CD1-CB 4.27Å; L120-I139 HydrophobicContact CD1-CD1 3.78Å; L120-I139 HydrophobicContact CD1-CG1 4.38Å; L120-I139 HydrophobicContact CD2-CD1 3.75Å; L120-I139 HydrophobicContact CG-CD1 4.36Å
121E67.3Low75.7Confident83 Ų8366.2 Ų66.239%0.38837%0.367SS..  trans-8672177.7-159.2163.3-148.800112.5K110 L114 P118 T119K110-E121 VanDerWaalsContact CE-OE1 3.29Å; K110-E121 WeakPolarHBondContact CE-OE1 3.47Å; K110-E121 IonicContact NZ-OE1 2.81Å; K110-E121 PolarHBondContact NZ-OE1 2.71Å; L114-E121 HydrophobicContact CD1-CB 4.3Å; L114-E121 VanDerWaalsContact CD1-CD 3.42Å; L114-E121 HydrophobicContact CD1-CG 4.28Å; L114-E121 VanDerWaalsContact CD1-OE2 3.24Å; L114-E121 WeakPolarHBondContact CD1-OE2 3.42Å; L114-E121 HydrophobicContact CD2-CB 3.63Å; L114-E121 HydrophobicContact CD2-CG 4.41Å; P118-E121 PolarHBondContact O-N 3.4Å; T119-E121 PolarHBondContact O-N 3.12Å
122A59.3Low75.8Confident66 Ų6660 Ų6055%0.54534%0.338SS..  trans-163.6152.8164.500000110.2L120L120-A122 PolarHBondContact O-N 2.98Å; L120-A122 VanDerWaalsContact O-N 3.14Å
123P55.6Low75.9Confident105 Ų10560.7 Ų60.768%0.68234%0.339SS*.SBendcis-90.2179.6-21.7-5.228000113
124P52.5Low75.8Confident66 Ų6662.1 Ų62.143%0.42935%0.348SS..THydrogen-bonded Turntrans-68139.7-173.329.1-32.9000111.3V68V68-P124 HydrophobicContact CG1-CB 3.99Å; V68-P124 HydrophobicContact CG1-CG 3.45Å; V68-P124 VanDerWaalsContact CG1-CG 3.45Å; V68-P124 WeakPolarHBondContact O-CB 3.45Å; V68-P124 VanDerWaalsContact O-CG 3.3Å; V68-P124 WeakPolarHBondContact O-CG 3.31Å
125L53.4Low75.8Confident132 Ų13261.4 Ų61.469%0.69134%0.344SS*.THydrogen-bonded Turntrans79.833.4-176.9-50.5148.8000115.4D127 F225L125-D127 PolarHBondContact O-N 3.36Å; L125-F225 HydrophobicContact CD1-CZ 4.32Å
126R65.2Low75.7Confident105 Ų10560 Ų6040%0.39633%0.325SS..  trans-70.9124.2163-163163.9-158.9-169.7-0.2109.1D130 F131 T134R126-D130 HydrophobicContact CG-CB 3.61Å; R126-D130 VanDerWaalsContact CZ-O 3.28Å; R126-D130 PolarHBondContact NE-O 3.48Å; R126-D130 PolarHBondContact NH2-O 2.8Å; R126-F131 HydrophobicContact CG-CB 4.47Å; R126-T134 VanDerWaalsContact NH1-CB 3.32Å; R126-T134 PolarHBondContact NH1-OG1 3.24Å; R126-T134 PolarHBondContact NH2-OG1 3.48Å
127D77.3Confident75.5Confident73 Ų7362.7 Ų62.739%0.3934%0.336SS..  trans-55.5141.5172.3-171.99.9000108.9L125 R129 D130 F131L125-D127 PolarHBondContact O-N 3.36Å; D127-R129 PolarHBondContact O-N 2.71Å; D127-R129 VanDerWaalsContact O-N 3.09Å; D127-D130 HydrophobicContact CB-CB 4.47Å; D127-D130 PolarHBondContact O-N 3.14Å; D127-F131 PolarHBondContact O-N 3.3Å
128I85.8Confident75.3Confident13 Ų1365.3 Ų65.37%0.06735%0.35CS..Hα-helixtrans-52.8-36.6-179.5-178.7171.5000110.7F106 F131 L132 C153 Y156 L157F106-I128 HydrophobicContact CD1-CD1 4.29Å; F106-I128 HydrophobicContact CD2-CD1 3.51Å; F106-I128 HydrophobicContact CD2-CG1 4.36Å; F106-I128 HydrophobicContact CE1-CD1 4.03Å; F106-I128 HydrophobicContact CE1-CG1 4.45Å; F106-I128 HydrophobicContact CE2-CD1 3.22Å; F106-I128 HydrophobicContact CE2-CG1 3.57Å; F106-I128 HydrophobicContact CG-CD1 4.05Å; F106-I128 HydrophobicContact CZ-CD1 3.51Å; F106-I128 HydrophobicContact CZ-CG1 3.62Å; I128-F131 PolarHBondContact O-N 3.27Å; I128-L132 HydrophobicContact CD1-CD1 4.47Å; I128-L132 HydrophobicContact CG1-CD1 4.04Å; I128-L132 HydrophobicContact CG1-CG 4.34Å; I128-L132 WeakPolarHBondContact O-CG 3.3Å; I128-L132 PolarHBondContact O-N 3.46Å; I128-C153 HydrophobicContact CG2-CB 4.33Å; I128-Y156 HydrophobicContact CB-CD1 4.42Å; I128-Y156 HydrophobicContact CB-CE1 4.47Å; I128-Y156 HydrophobicContact CD1-CD1 3.25Å; I128-Y156 HydrophobicContact CD1-CD2 4.12Å; I128-Y156 HydrophobicContact CD1-CE1 3.61Å; I128-Y156 HydrophobicContact CD1-CE2 4.43Å; I128-Y156 HydrophobicContact CD1-CG 3.5Å; I128-Y156 HydrophobicContact CG1-CD1 4.41Å; I128-Y156 HydrophobicContact CG2-CD1 4.1Å; I128-Y156 HydrophobicContact CG2-CE1 4.49Å; I128-L157 HydrophobicContact CG2-CD2 4.38Å; I128-L157 HydrophobicContact CG2-CG 4.36Å
129R86.7Confident75Confident92 Ų9261.2 Ų61.235%0.34732%0.323SS..Hα-helixtrans-60.7-48.6175.9-172.8-179-178.9-144.29.4112.1D127 F131 L132 L133 E150 C153D127-R129 PolarHBondContact O-N 2.71Å; D127-R129 VanDerWaalsContact O-N 3.09Å; R129-F131 VanDerWaalsContact C-N 3.31Å; R129-F131 PolarHBondContact O-N 3.41Å; R129-L132 PolarHBondContact O-N 3.3Å; R129-L133 HydrophobicContact CG-CD1 3.88Å; R129-L133 HydrophobicContact CG-CG 4.41Å; R129-L133 VanDerWaalsContact O-CB 3.27Å; R129-L133 WeakPolarHBondContact O-CB 3.45Å; R129-L133 VanDerWaalsContact O-CG 3.24Å; R129-L133 WeakPolarHBondContact O-CG 3.45Å; R129-L133 PolarHBondContact O-N 3.16Å; R129-E150 IonicContact CZ-OE1 3.12Å; R129-E150 IonicContact NE-OE1 3.21Å; R129-E150 IonicContact NH2-OE1 2.71Å; R129-E150 PolarHBondContact NH2-OE1 3.16Å; R129-C153 VanDerWaalsContact CA-SG 3.54Å; R129-C153 HydrophobicContact CB-CB 4.47Å
130D84.3Confident74.7Confident73 Ų7356.2 Ų56.239%0.3929%0.292SS..Hα-helixtrans-67.4-35.2-179.7-70.4-19000111.8R126 D127 T134R126-D130 HydrophobicContact CG-CB 3.61Å; R126-D130 VanDerWaalsContact CZ-O 3.28Å; R126-D130 PolarHBondContact NE-O 3.48Å; R126-D130 PolarHBondContact NH2-O 2.8Å; D127-D130 HydrophobicContact CB-CB 4.47Å; D127-D130 PolarHBondContact O-N 3.14Å; D130-T134 WeakPolarHBondContact O-CB 3.3Å; D130-T134 PolarHBondContact O-N 3.15Å; D130-T134 VanDerWaalsContact O-N 3.08Å; D130-T134 PolarHBondContact O-OG1 3.49Å
131F85.8Confident74.3Confident17 Ų1760.6 Ų60.68%0.07532%0.316CS..Hα-helixtrans-61.6-55.1173.3169.4-105000111.1F106 K110 I113 L114 L120 R126 D127 I128 R129 L133 T134 A135F106-F131 HydrophobicContact CZ-CD1 4.36Å; F106-F131 HydrophobicContact CZ-CE1 4.47Å; K110-F131 HydrophobicContact CB-CE1 4.5Å; K110-F131 HydrophobicContact CG-CE1 4.17Å; K110-F131 HydrophobicContact CG-CZ 3.97Å; I113-F131 HydrophobicContact CB-CZ 4.09Å; I113-F131 HydrophobicContact CD1-CE1 3.96Å; I113-F131 HydrophobicContact CD1-CZ 4.23Å; I113-F131 HydrophobicContact CG2-CE1 4.44Å; I113-F131 HydrophobicContact CG2-CE2 4.25Å; I113-F131 HydrophobicContact CG2-CZ 3.69Å; L114-F131 HydrophobicContact CD2-CE2 4.15Å; L114-F131 HydrophobicContact CD2-CZ 4.49Å; L120-F131 HydrophobicContact CB-CE2 4.37Å; R126-F131 HydrophobicContact CG-CB 4.47Å; D127-F131 PolarHBondContact O-N 3.3Å; I128-F131 PolarHBondContact O-N 3.27Å; R129-F131 VanDerWaalsContact C-N 3.31Å; R129-F131 PolarHBondContact O-N 3.41Å; F131-L133 PolarHBondContact O-N 3.1Å; F131-T134 PolarHBondContact O-N 3.3Å; F131-T134 VanDerWaalsContact O-N 3.1Å; F131-A135 PolarHBondContact O-N 3.34Å
132L86.8Confident74.7Confident1 Ų161.1 Ų61.11%0.00533%0.326CS..Hα-helixtrans-67.4-37.8-178.3-68.9178.5000112.7L109 I113 I128 R129 T134 A135 R136 I149 Y152L109-L132 HydrophobicContact CD2-CD2 4.13Å; I113-L132 HydrophobicContact CD1-CD2 3.67Å; I128-L132 HydrophobicContact CD1-CD1 4.47Å; I128-L132 HydrophobicContact CG1-CD1 4.04Å; I128-L132 HydrophobicContact CG1-CG 4.34Å; I128-L132 WeakPolarHBondContact O-CG 3.3Å; I128-L132 PolarHBondContact O-N 3.46Å; R129-L132 PolarHBondContact O-N 3.3Å; L132-T134 PolarHBondContact O-N 3.31Å; L132-A135 PolarHBondContact O-N 3.36Å; L132-R136 WeakPolarHBondContact O-CB 2.91Å; L132-R136 PolarHBondContact O-N 3.12Å; L132-I149 HydrophobicContact CB-CG2 3.68Å; L132-I149 HydrophobicContact CD1-CG2 4.31Å; L132-Y152 HydrophobicContact CD1-CD1 3.44Å; L132-Y152 VanDerWaalsContact CD1-CD1 3.44Å; L132-Y152 HydrophobicContact CD1-CE1 3.71Å
133L85.7Confident75.6Confident30 Ų3060.9 Ų60.916%0.15732%0.319CS..Hα-helixtrans-63.9-29.8173.4-73.9175000111.8R129 F131 R136 H137 R146 I149R129-L133 HydrophobicContact CG-CD1 3.88Å; R129-L133 HydrophobicContact CG-CG 4.41Å; R129-L133 VanDerWaalsContact O-CB 3.27Å; R129-L133 WeakPolarHBondContact O-CB 3.45Å; R129-L133 VanDerWaalsContact O-CG 3.24Å; R129-L133 WeakPolarHBondContact O-CG 3.45Å; R129-L133 PolarHBondContact O-N 3.16Å; F131-L133 PolarHBondContact O-N 3.1Å; L133-R136 WeakPolarHBondContact O-CB 3.28Å; L133-H137 PolarHBondContact O-ND1 2.82Å; L133-R146 HydrophobicContact CD2-CG 4.36Å; L133-I149 HydrophobicContact CD2-CD1 4.38Å; L133-I149 HydrophobicContact CD2-CG2 4.25Å; L133-I149 HydrophobicContact CG-CG2 4.36Å
134T83.9Confident76.7Confident30 Ų3056.4 Ų56.418%0.18429%0.29CS..Hα-helixtrans-77.2-41.7174.4-57.40000111.7L120 R126 D130 F131 L132 R136 H137 N138L120-T134 HydrophobicContact CD2-CG2 4.06Å; L120-T134 HydrophobicContact CG-CG2 4.22Å; R126-T134 VanDerWaalsContact NH1-CB 3.32Å; R126-T134 PolarHBondContact NH1-OG1 3.24Å; R126-T134 PolarHBondContact NH2-OG1 3.48Å; D130-T134 WeakPolarHBondContact O-CB 3.3Å; D130-T134 PolarHBondContact O-N 3.15Å; D130-T134 VanDerWaalsContact O-N 3.08Å; D130-T134 PolarHBondContact O-OG1 3.49Å; F131-T134 PolarHBondContact O-N 3.3Å; F131-T134 VanDerWaalsContact O-N 3.1Å; L132-T134 PolarHBondContact O-N 3.31Å; T134-R136 PolarHBondContact O-N 2.94Å; T134-H137 PolarHBondContact O-N 2.99Å; T134-H137 VanDerWaalsContact O-N 3.07Å; T134-N138 PolarHBondContact O-N 3.2Å; T134-N138 VanDerWaalsContact O-N 3.08Å
135A84.5Confident78.2Confident0 Ų056.5 Ų56.50%029%0.292CS..Hα-helixtrans-56.4-38.1171.900000111.5I113 L120 F131 L132 H137 N138 I139 M140I113-A135 HydrophobicContact CD1-CB 4.09Å; I113-A135 HydrophobicContact CG2-CB 3.73Å; L120-A135 HydrophobicContact CD2-CB 3.74Å; F131-A135 PolarHBondContact O-N 3.34Å; L132-A135 PolarHBondContact O-N 3.36Å; A135-H137 VanDerWaalsContact C-N 3.33Å; A135-H137 PolarHBondContact O-N 3.47Å; A135-N138 PolarHBondContact O-N 2.97Å; A135-I139 HydrophobicContact CB-CD1 4.4Å; A135-I139 PolarHBondContact O-N 3.15Å; A135-M140 HydrophobicContact CB-CE 4.18Å; A135-M140 PolarHBondContact O-N 3.18Å
136R82.1Confident79.8Confident57 Ų5756.6 Ų56.622%0.21528%0.284CS..Hα-helixtrans-55.7-43.7174.1-172-163.8-178.7-101.8-6.2113.1L132 L133 T134 P143 P144 I149L132-R136 WeakPolarHBondContact O-CB 2.91Å; L132-R136 PolarHBondContact O-N 3.12Å; L133-R136 WeakPolarHBondContact O-CB 3.28Å; T134-R136 PolarHBondContact O-N 2.94Å; R136-P143 HydrophobicContact CG-CB 3.83Å; R136-P144 HydrophobicContact CG-CG 4.3Å; R136-P144 PolarHBondContact NE-O 3.09Å; R136-P144 PolarHBondContact NH2-O 3.32Å; R136-P144 VanDerWaalsContact NH2-O 3.08Å; R136-I149 HydrophobicContact CB-CD1 3.74Å; R136-I149 HydrophobicContact CG-CD1 3.79Å
137H78.6Confident80.9Confident125 Ų12557.1 Ų57.158%0.57929%0.294SS*.Hα-helixtrans-81.7-26.7-176.5-67.989.3000112.8L133 T134 A135L133-H137 PolarHBondContact O-ND1 2.82Å; T134-H137 PolarHBondContact O-N 2.99Å; T134-H137 VanDerWaalsContact O-N 3.07Å; A135-H137 VanDerWaalsContact C-N 3.33Å; A135-H137 PolarHBondContact O-N 3.47Å
138N73.6Confident81.4Confident94 Ų9455.5 Ų55.550%0.50328%0.283SS..Hα-helixtrans-98.2-39-173.3-67.9-3.4000113.3L120 T134 A135L120-N138 HydrophobicContact CD1-CB 4.27Å; T134-N138 PolarHBondContact O-N 3.2Å; T134-N138 VanDerWaalsContact O-N 3.08Å; A135-N138 PolarHBondContact O-N 2.97Å
139I73.3Confident81.6Confident8 Ų855 Ų554%0.04128%0.28CS..THydrogen-bonded Turntrans-123.9-24.5-161.9-55.7161.1000112.6I113 L116 D117 L120 A135 T188I113-I139 HydrophobicContact CG2-CD1 3.64Å; L116-I139 HydrophobicContact CB-CG2 3.74Å; L116-I139 HydrophobicContact CD2-CG2 3.47Å; L116-I139 VanDerWaalsContact CD2-CG2 3.47Å; L116-I139 HydrophobicContact CG-CG2 4.14Å; D117-I139 HydrophobicContact CB-CD1 3.73Å; D117-I139 HydrophobicContact CB-CG1 3.95Å; L120-I139 HydrophobicContact CD1-CD1 3.78Å; L120-I139 HydrophobicContact CD1-CG1 4.38Å; L120-I139 HydrophobicContact CD2-CD1 3.75Å; L120-I139 HydrophobicContact CG-CD1 4.36Å; A135-I139 HydrophobicContact CB-CD1 4.4Å; A135-I139 PolarHBondContact O-N 3.15Å; I139-T188 WeakPolarHBondContact O-CB 3.33Å; I139-T188 WeakPolarHBondContact O-CG2 3.42Å; I139-T188 PolarHBondContact O-OG1 3.44Å; I139-T188 VanDerWaalsContact O-OG1 3.05Å
140M69.8Low81.8Confident1 Ų153.3 Ų53.31%0.00528%0.276CS..  trans-99.7109.3-171.5-65174.8176.600111.6I113 A135 P142 P143 P144 L181 I184 V185I113-M140 HydrophobicContact CD1-CE 3.73Å; I113-M140 HydrophobicContact CG1-CE 4.15Å; A135-M140 HydrophobicContact CB-CE 4.18Å; A135-M140 PolarHBondContact O-N 3.18Å; M140-P142 CarbonylContact O-C 3.48Å; M140-P143 VanDerWaalsContact O-CA 3.31Å; M140-P143 WeakPolarHBondContact O-CA 3.22Å; M140-P144 HydrophobicContact SD-CG 3.96Å; M140-L181 HydrophobicContact CE-CD2 4.35Å; M140-L181 HydrophobicContact SD-CD2 4.27Å; M140-I184 HydrophobicContact CB-CG2 3.66Å; M140-I184 HydrophobicContact CG-CG2 4.15Å; M140-V185 HydrophobicContact CE-CG2 3.5Å; M140-V185 HydrophobicContact CG-CG2 4.04Å
141N68Low82.2Confident101 Ų10153.1 Ų53.154%0.5427%0.273SS..SBendtrans-126.4119.4176.1-77.9-43.6000111.9T188N141-T188 HydrophobicContact CB-CG2 4.29Å; N141-T188 PolarHBondContact N-OG1 3.38Å
142P77.5Confident82.5Confident94 Ų9452.3 Ų52.361%0.6127%0.27SS*.SBendcis-69.1149.3-1.930.1-35000111.7M140 I184M140-P142 CarbonylContact O-C 3.48Å; P142-I184 WeakPolarHBondContact O-CG2 3.29Å
143P77.3Confident82.8Confident61 Ų6152.5 Ų52.540%0.39627%0.271SS..PPolyproline II helixtrans-67.5126.3179.727.1-34000109.4R136 M140R136-P143 HydrophobicContact CG-CB 3.83Å; M140-P143 VanDerWaalsContact O-CA 3.31Å; M140-P143 WeakPolarHBondContact O-CA 3.22Å
144P79.2Confident83.1Confident11 Ų1156.6 Ų56.67%0.07129%0.289CS..PPolyproline II helixtrans-57.3157.3176.723.6-34.8000111R136 M140 R146 I149 L181 I184R136-P144 HydrophobicContact CG-CG 4.3Å; R136-P144 PolarHBondContact NE-O 3.09Å; R136-P144 PolarHBondContact NH2-O 3.32Å; R136-P144 VanDerWaalsContact NH2-O 3.08Å; M140-P144 HydrophobicContact SD-CG 3.96Å; P144-R146 PolarHBondContact O-N 3.02Å; P144-I149 HydrophobicContact CG-CD1 3.8Å; P144-I149 HydrophobicContact CG-CG1 4.15Å; P144-L181 HydrophobicContact CB-CD2 4.21Å; P144-L181 HydrophobicContact CG-CD2 3.84Å; P144-I184 HydrophobicContact CB-CD1 3.95Å; P144-I184 HydrophobicContact CG-CD1 4.31Å
145S83.8Confident83.6Confident68 Ų6855.8 Ų55.848%0.47628%0.284SS..PPolyproline II helixtrans-59.2142.5173.863.70000109.2D147 Y148 I149S145-D147 PolarHBondContact O-N 2.73Å; S145-Y148 VanDerWaalsContact O-CB 3.25Å; S145-Y148 WeakPolarHBondContact O-CB 3.28Å; S145-Y148 PolarHBondContact O-N 3.25Å; S145-Y148 VanDerWaalsContact O-N 3.08Å; S145-Y148 WeakPolarHBondContact OG-CB 3.33Å; S145-I149 PolarHBondContact O-N 3.21Å
146R86.1Confident83.9Confident135 Ų13555.9 Ų55.951%0.50928%0.284SS..Hα-helixtrans-57.7-39.7-178.8179.4179172.6171.71.6111.1L133 P144 Y148 I149 E150L133-R146 HydrophobicContact CD2-CG 4.36Å; P144-R146 PolarHBondContact O-N 3.02Å; R146-Y148 PolarHBondContact O-N 2.99Å; R146-I149 PolarHBondContact O-N 3.48Å; R146-I149 VanDerWaalsContact O-N 3.16Å; R146-E150 HydrophobicContact CG-CG 4.34Å; R146-E150 IonicContact CZ-OE1 3.22Å; R146-E150 IonicContact NE-OE1 2.77Å; R146-E150 PolarHBondContact NE-OE1 2.95Å; R146-E150 IonicContact NH2-OE1 3.92Å; R146-E150 PolarHBondContact NH2-OE1 3.14Å; R146-E150 WeakPolarHBondContact O-CG 3.41Å; R146-E150 PolarHBondContact O-N 3.05Å
147D88.5Confident84.4Confident116 Ų11655.8 Ų55.862%0.6229%0.287SS*.Hα-helixtrans-59.1-34.3178.7-52.7-22.4000111.9S145 E150 E151S145-D147 PolarHBondContact O-N 2.73Å; D147-E150 PolarHBondContact O-N 2.84Å; D147-E151 WeakPolarHBondContact O-CB 3.42Å; D147-E151 PolarHBondContact O-N 3.14Å
148Y88.3Confident85Confident39 Ų3952.9 Ų52.915%0.15327%0.271CS..Hα-helixtrans-65.7-43177.9-149.2-102.1000112.3S145 R146 Y152 E176 L177 N180 L181S145-Y148 VanDerWaalsContact O-CB 3.25Å; S145-Y148 WeakPolarHBondContact O-CB 3.28Å; S145-Y148 PolarHBondContact O-N 3.25Å; S145-Y148 VanDerWaalsContact O-N 3.08Å; S145-Y148 WeakPolarHBondContact OG-CB 3.33Å; R146-Y148 PolarHBondContact O-N 2.99Å; Y148-Y152 WeakPolarHBondContact O-CB 3.47Å; Y148-Y152 PolarHBondContact O-N 3.07Å; Y148-E176 PolarHBondContact OH-O 2.86Å; Y148-L177 HydrophobicContact CD1-CD2 3.99Å; Y148-L177 HydrophobicContact CD2-CD2 3.7Å; Y148-L177 HydrophobicContact CE1-CB 4.02Å; Y148-L177 HydrophobicContact CE1-CD2 3.56Å; Y148-L177 HydrophobicContact CE1-CG 4.37Å; Y148-L177 WeakPolarHBondContact CE1-O 3.49Å; Y148-L177 HydrophobicContact CE2-CD2 3.25Å; Y148-L177 HydrophobicContact CG-CD2 4.04Å; Y148-L177 WeakPolarHBondContact OH-CA 3.46Å; Y148-L177 WeakPolarHBondContact OH-CD2 3.21Å; Y148-N180 HydrophobicContact CE1-CB 3.81Å; Y148-N180 WeakPolarHBondContact OH-CB 3.33Å; Y148-N180 PolarHBondContact OH-ND2 2.81Å; Y148-L181 HydrophobicContact CD1-CD2 4.43Å; Y148-L181 HydrophobicContact CD1-CG 4.42Å; Y148-L181 HydrophobicContact CE1-CG 4.5Å
149I89.4Confident85.8Confident1 Ų148.6 Ų48.61%0.00525%0.249CC..Hα-helixtrans-68.3-39.9175.6-70.7165.3000110.2L132 L133 R136 P144 S145 R146 Y152 C153 L181L132-I149 HydrophobicContact CB-CG2 3.68Å; L132-I149 HydrophobicContact CD1-CG2 4.31Å; L133-I149 HydrophobicContact CD2-CD1 4.38Å; L133-I149 HydrophobicContact CD2-CG2 4.25Å; L133-I149 HydrophobicContact CG-CG2 4.36Å; R136-I149 HydrophobicContact CB-CD1 3.74Å; R136-I149 HydrophobicContact CG-CD1 3.79Å; P144-I149 HydrophobicContact CG-CD1 3.8Å; P144-I149 HydrophobicContact CG-CG1 4.15Å; S145-I149 PolarHBondContact O-N 3.21Å; R146-I149 PolarHBondContact O-N 3.48Å; R146-I149 VanDerWaalsContact O-N 3.16Å; I149-Y152 PolarHBondContact O-N 3.41Å; I149-C153 WeakPolarHBondContact O-CB 3Å; I149-C153 PolarHBondContact O-N 2.89Å; I149-C153 PolarHBondContact O-SG 2.8Å; I149-L181 HydrophobicContact CG1-CD2 4.33Å
150E91.6Very high86.5Confident58 Ų5852.9 Ų52.927%0.27127%0.265SS..Hα-helixtrans-65.8-42.7179-70.3-177.1174.900111.8R129 R146 D147 C153 Q154R129-E150 IonicContact CZ-OE1 3.12Å; R129-E150 IonicContact NE-OE1 3.21Å; R129-E150 IonicContact NH2-OE1 2.71Å; R129-E150 PolarHBondContact NH2-OE1 3.16Å; R146-E150 HydrophobicContact CG-CG 4.34Å; R146-E150 IonicContact CZ-OE1 3.22Å; R146-E150 IonicContact NE-OE1 2.77Å; R146-E150 PolarHBondContact NE-OE1 2.95Å; R146-E150 IonicContact NH2-OE1 3.92Å; R146-E150 PolarHBondContact NH2-OE1 3.14Å; R146-E150 WeakPolarHBondContact O-CG 3.41Å; R146-E150 PolarHBondContact O-N 3.05Å; D147-E150 PolarHBondContact O-N 2.84Å; E150-C153 PolarHBondContact O-N 3.19Å; E150-Q154 WeakPolarHBondContact O-CB 3.49Å; E150-Q154 PolarHBondContact O-N 3.04Å
151E92.6Very high87.4Confident69 Ų6958.8 Ų58.832%0.32229%0.292SS..Hα-helixtrans-60.6-45173.4-167.8-174.4170.400111.2D147 C153 Q154 L155 R173 L177D147-E151 WeakPolarHBondContact O-CB 3.42Å; D147-E151 PolarHBondContact O-N 3.14Å; E151-C153 PolarHBondContact O-N 3.44Å; E151-Q154 PolarHBondContact O-N 3.48Å; E151-L155 HydrophobicContact CG-CD1 4.4Å; E151-L155 PolarHBondContact O-N 3.27Å; E151-R173 IonicContact OE1-CZ 3.06Å; E151-R173 IonicContact OE1-NE 3.01Å; E151-R173 PolarHBondContact OE1-NE 2.97Å; E151-R173 IonicContact OE1-NH2 3.91Å; E151-R173 PolarHBondContact OE1-NH2 3.39Å; E151-R173 IonicContact OE2-CZ 3.66Å; E151-R173 IonicContact OE2-NE 3.45Å; E151-R173 IonicContact OE2-NH2 3.12Å; E151-R173 PolarHBondContact OE2-NH2 3.23Å; E151-L177 HydrophobicContact CB-CD1 4.05Å; E151-L177 HydrophobicContact CG-CD1 3.78Å
152Y92.8Very high88.3Confident0 Ų056.9 Ų56.90%028%0.282CS..Hα-helixtrans-60.1-45.3176.5-177.3-92.5000112.1F106 L109 L132 Y148 I149 Q154 L155 Y156 F174 L177 Q178 L181F106-Y152 AromaticContact CD2-CE1 3.99Å; F106-Y152 HydrophobicContact CD2-CE1 3.99Å; L109-Y152 HydrophobicContact CD2-CE1 3.8Å; L109-Y152 HydrophobicContact CD2-CE2 4.37Å; L109-Y152 WeakPolarHBondContact CD2-OH 3.45Å; L132-Y152 HydrophobicContact CD1-CD1 3.44Å; L132-Y152 VanDerWaalsContact CD1-CD1 3.44Å; L132-Y152 HydrophobicContact CD1-CE1 3.71Å; Y148-Y152 WeakPolarHBondContact O-CB 3.47Å; Y148-Y152 PolarHBondContact O-N 3.07Å; I149-Y152 PolarHBondContact O-N 3.41Å; Y152-Q154 VanDerWaalsContact C-N 3.34Å; Y152-Q154 PolarHBondContact O-N 2.93Å; Y152-L155 PolarHBondContact O-N 3.35Å; Y152-Y156 PolarHBondContact O-N 3.37Å; Y152-F174 HydrophobicContact CD1-CE2 4.41Å; Y152-F174 AromaticContact CD2-CD2 3.98Å; Y152-F174 HydrophobicContact CD2-CD2 3.98Å; Y152-F174 AromaticContact CD2-CE2 3.75Å; Y152-F174 HydrophobicContact CD2-CE2 3.75Å; Y152-F174 HydrophobicContact CD2-CZ 4.36Å; Y152-F174 HydrophobicContact CE1-CE2 4.01Å; Y152-F174 HydrophobicContact CE1-CZ 4.26Å; Y152-F174 AromaticContact CE2-CD2 3.82Å; Y152-F174 HydrophobicContact CE2-CD2 3.82Å; Y152-F174 HydrophobicContact CE2-CE1 4.07Å; Y152-F174 AromaticContact CE2-CE2 3.27Å; Y152-F174 HydrophobicContact CE2-CE2 3.27Å; Y152-F174 HydrophobicContact CE2-CG 4.43Å; Y152-F174 AromaticContact CE2-CZ 3.44Å; Y152-F174 HydrophobicContact CE2-CZ 3.44Å; Y152-F174 VanDerWaalsContact CE2-CZ 3.44Å; Y152-F174 HydrophobicContact CG-CE2 4.31Å; Y152-F174 AromaticContact CZ-CE2 3.43Å; Y152-F174 VanDerWaalsContact CZ-CE2 3.43Å; Y152-F174 AromaticContact CZ-CZ 3.38Å; Y152-F174 WeakPolarHBondContact OH-CZ 3.37Å; Y152-L177 HydrophobicContact CD2-CB 3.76Å; Y152-Q178 HydrophobicContact CE2-CB 3.79Å; Y152-Q178 HydrophobicContact CE2-CG 4.11Å; Y152-L181 HydrophobicContact CD1-CD1 4.13Å; Y152-L181 HydrophobicContact CD2-CD1 3.91Å; Y152-L181 HydrophobicContact CE1-CD1 4.43Å; Y152-L181 HydrophobicContact CE2-CD1 4.22Å; Y152-L181 HydrophobicContact CG-CD1 3.83Å
153C92.3Very high88.8Confident4 Ų460.4 Ų60.43%0.02730%0.295CS..Hα-helixtrans-63.5-40.9176.5-66.60000111.6I128 R129 I149 E150 E151 Y156 L157I128-C153 HydrophobicContact CG2-CB 4.33Å; R129-C153 VanDerWaalsContact CA-SG 3.54Å; R129-C153 HydrophobicContact CB-CB 4.47Å; I149-C153 WeakPolarHBondContact O-CB 3Å; I149-C153 PolarHBondContact O-N 2.89Å; I149-C153 PolarHBondContact O-SG 2.8Å; E150-C153 PolarHBondContact O-N 3.19Å; E151-C153 PolarHBondContact O-N 3.44Å; C153-Y156 PolarHBondContact O-N 3.33Å; C153-L157 WeakPolarHBondContact O-CB 3.49Å; C153-L157 VanDerWaalsContact O-CG 3.29Å; C153-L157 WeakPolarHBondContact O-CG 3.49Å; C153-L157 PolarHBondContact O-N 2.85Å
154Q92.9Very high89.3Confident116 Ų11661.6 Ų61.654%0.54230%0.298SS..Hα-helixtrans-63-44.8179.3-174.861.431.900111.4E150 E151 Y152 L157 W158E150-Q154 WeakPolarHBondContact O-CB 3.49Å; E150-Q154 PolarHBondContact O-N 3.04Å; E151-Q154 PolarHBondContact O-N 3.48Å; Y152-Q154 VanDerWaalsContact C-N 3.34Å; Y152-Q154 PolarHBondContact O-N 2.93Å; Q154-L157 PolarHBondContact O-N 2.85Å; Q154-W158 WeakPolarHBondContact O-CB 3.42Å; Q154-W158 PolarHBondContact O-N 3.23Å
155L93.3Very high89.6Confident14 Ų1465.8 Ų65.87%0.07333%0.325CS..Hα-helixtrans-65.7-39.5177.1-74.2166.8000112.2E151 Y152 W158 A159 F166 E170 R173 F174 L177E151-L155 HydrophobicContact CG-CD1 4.4Å; E151-L155 PolarHBondContact O-N 3.27Å; Y152-L155 PolarHBondContact O-N 3.35Å; L155-W158 HydrophobicContact CD2-CE3 4.08Å; L155-W158 HydrophobicContact CD2-CZ3 4.4Å; L155-W158 PolarHBondContact O-N 3.08Å; L155-A159 PolarHBondContact O-N 2.8Å; L155-F166 HydrophobicContact CD2-CE2 4.32Å; L155-F166 WeakPolarHBondContact O-CE2 3.29Å; L155-E170 HydrophobicContact CD2-CB 4.02Å; L155-E170 HydrophobicContact CD2-CG 4.41Å; L155-R173 HydrophobicContact CD1-CB 4.24Å; L155-R173 HydrophobicContact CD1-CG 3.84Å; L155-F174 HydrophobicContact CB-CB 4.38Å; L155-F174 HydrophobicContact CB-CD2 3.94Å; L155-F174 HydrophobicContact CD1-CB 4.27Å; L155-L177 HydrophobicContact CD1-CD1 3.66Å
156Y91.9Very high89.9Confident1 Ų162.5 Ų62.50%0.00430%0.302CS..Hα-helixtrans-63.1-46.7174.2178.8-99.2000112.4E73 T102 V103 F106 I128 Y152 C153 W158 A159 R160E73-Y156 PolarHBondContact OE1-OH 3.44Å; T102-Y156 HydrophobicContact CG2-CD2 4.5Å; V103-Y156 HydrophobicContact CG2-CE2 4.43Å; F106-Y156 HydrophobicContact CB-CD2 3.66Å; F106-Y156 HydrophobicContact CB-CE2 3.4Å; F106-Y156 VanDerWaalsContact CB-CE2 3.4Å; F106-Y156 HydrophobicContact CD1-CD2 4.32Å; F106-Y156 HydrophobicContact CD1-CE1 4.43Å; F106-Y156 AromaticContact CD1-CE2 3.52Å; F106-Y156 HydrophobicContact CD1-CE2 3.52Å; F106-Y156 AromaticContact CD1-CZ 3.56Å; F106-Y156 WeakPolarHBondContact CD1-OH 3.49Å; F106-Y156 HydrophobicContact CD2-CE2 4.5Å; F106-Y156 HydrophobicContact CE1-CE2 4.44Å; F106-Y156 AromaticContact CG-CD2 3.92Å; F106-Y156 HydrophobicContact CG-CD2 3.92Å; F106-Y156 AromaticContact CG-CE2 3.54Å; F106-Y156 HydrophobicContact CG-CE2 3.54Å; I128-Y156 HydrophobicContact CB-CD1 4.42Å; I128-Y156 HydrophobicContact CB-CE1 4.47Å; I128-Y156 HydrophobicContact CD1-CD1 3.25Å; I128-Y156 HydrophobicContact CD1-CD2 4.12Å; I128-Y156 HydrophobicContact CD1-CE1 3.61Å; I128-Y156 HydrophobicContact CD1-CE2 4.43Å; I128-Y156 HydrophobicContact CD1-CG 3.5Å; I128-Y156 HydrophobicContact CG1-CD1 4.41Å; I128-Y156 HydrophobicContact CG2-CD1 4.1Å; I128-Y156 HydrophobicContact CG2-CE1 4.49Å; Y152-Y156 PolarHBondContact O-N 3.37Å; C153-Y156 PolarHBondContact O-N 3.33Å; Y156-W158 VanDerWaalsContact C-N 3.32Å; Y156-W158 PolarHBondContact O-N 3.44Å; Y156-A159 PolarHBondContact O-N 3.47Å; Y156-R160 WeakPolarHBondContact O-CB 3.34Å; Y156-R160 PolarHBondContact O-N 2.89Å; Y156-R160 PolarHBondContact OH-NH1 3.16Å
157L90.9Very high90Very high55 Ų5556.9 Ų56.929%0.28829%0.286SS..Hα-helixtrans-66.3-35.3178.5-70.6172.4000111.7I128 C153 Q154 R160 H161I128-L157 HydrophobicContact CG2-CD2 4.38Å; I128-L157 HydrophobicContact CG2-CG 4.36Å; C153-L157 WeakPolarHBondContact O-CB 3.49Å; C153-L157 VanDerWaalsContact O-CG 3.29Å; C153-L157 WeakPolarHBondContact O-CG 3.49Å; C153-L157 PolarHBondContact O-N 2.85Å; Q154-L157 PolarHBondContact O-N 2.85Å; L157-R160 PolarHBondContact O-N 3.49Å; L157-H161 PolarHBondContact O-N 2.74Å
158W92.5Very high90Very high64 Ų6455.4 Ų55.424%0.24228%0.276CS..Hα-helixtrans-58.8-53.3170.8-173.3-12.7000110.1R99 Q154 L155 Y156 R160 D162 N164 P165 F166 E170R99-W158 PolarHBondContact NH1-O 2.93Å; Q154-W158 WeakPolarHBondContact O-CB 3.42Å; Q154-W158 PolarHBondContact O-N 3.23Å; L155-W158 HydrophobicContact CD2-CE3 4.08Å; L155-W158 HydrophobicContact CD2-CZ3 4.4Å; L155-W158 PolarHBondContact O-N 3.08Å; Y156-W158 VanDerWaalsContact C-N 3.32Å; Y156-W158 PolarHBondContact O-N 3.44Å; W158-R160 PolarHBondContact O-N 2.94Å; W158-D162 HydrophobicContact CB-CB 4.48Å; W158-D162 HydrophobicContact CG-CB 4.24Å; W158-D162 WeakPolarHBondContact O-CB 3.39Å; W158-D162 PolarHBondContact O-N 3.16Å; W158-N164 HydrophobicContact CZ2-CB 4.26Å; W158-N164 PolarHBondContact NE1-O 3.23Å; W158-P165 WeakPolarHBondContact CZ2-O 3.18Å; W158-F166 HydrophobicContact CB-CD2 4.22Å; W158-F166 HydrophobicContact CB-CE2 4.48Å; W158-F166 AromaticContact CD1-CD2 3.92Å; W158-F166 HydrophobicContact CD2-CD2 4Å; W158-F166 AromaticContact CG-CD2 3.82Å; W158-F166 HydrophobicContact CG-CD2 3.82Å; W158-F166 HydrophobicContact CG-CE2 4.46Å; W158-E170 HydrophobicContact CE3-CG 4.15Å; W158-E170 HydrophobicContact CH2-CG 3.57Å; W158-E170 HydrophobicContact CZ2-CG 4.15Å; W158-E170 HydrophobicContact CZ3-CG 3.56Å
159A91Very high90.2Very high5 Ų557.2 Ų57.24%0.04129%0.294CS..Hα-helixtrans-57.4-37.3179.800000112.9R99 T102 L155 Y156 F166R99-A159 HydrophobicContact CB-CB 4.45Å; R99-A159 HydrophobicContact CG-CB 4.41Å; R99-A159 WeakPolarHBondContact CG-O 3.27Å; R99-A159 PolarHBondContact NH1-O 3.22Å; T102-A159 HydrophobicContact CG2-CB 3.59Å; L155-A159 PolarHBondContact O-N 2.8Å; Y156-A159 PolarHBondContact O-N 3.47Å; A159-F166 HydrophobicContact CB-CD1 4.4Å; A159-F166 HydrophobicContact CB-CD2 4.1Å; A159-F166 HydrophobicContact CB-CE1 4.21Å; A159-F166 HydrophobicContact CB-CE2 3.87Å; A159-F166 HydrophobicContact CB-CG 4.36Å; A159-F166 HydrophobicContact CB-CZ 3.94Å
160R87.9Confident90.4Very high97 Ų9759.2 Ų59.237%0.36630%0.303SS..Hα-helixtrans-84.8-40.3-174.4-167.4178.1178.9162.514.7115E73 Y156 L157 W158E73-R160 VanDerWaalsContact CD-NH1 3.3Å; E73-R160 IonicContact OE1-CZ 3.67Å; E73-R160 IonicContact OE1-NH1 3.89Å; E73-R160 PolarHBondContact OE1-NH1 3.4Å; E73-R160 IonicContact OE1-NH2 2.8Å; E73-R160 IonicContact OE2-CZ 2.71Å; E73-R160 IonicContact OE2-NH1 3.54Å; E73-R160 PolarHBondContact OE2-NH1 2.98Å; E73-R160 VanDerWaalsContact OE2-NH1 3.12Å; E73-R160 IonicContact OE2-NH2 3.6Å; E73-R160 PolarHBondContact OE2-NH2 3.33Å; Y156-R160 WeakPolarHBondContact O-CB 3.34Å; Y156-R160 PolarHBondContact O-N 2.89Å; Y156-R160 PolarHBondContact OH-NH1 3.16Å; L157-R160 PolarHBondContact O-N 3.49Å; W158-R160 PolarHBondContact O-N 2.94Å
161H87.2Confident90.4Very high126 Ų12658 Ų5858%0.58330%0.297SS*.Hα-helixtrans-126.5-22.9-164.1-63.6-53.3000115L157L157-H161 PolarHBondContact O-N 2.74Å
162D88.5Confident90.4Very high60 Ų6061.6 Ų61.632%0.32131%0.307SS..  trans-82.1151.3-175.1-163.9-13000110.7R99 W158 N164R99-D162 VanDerWaalsContact CZ-O 3.24Å; R99-D162 PolarHBondContact NH1-O 2.97Å; R99-D162 PolarHBondContact NH2-O 2.87Å; W158-D162 HydrophobicContact CB-CB 4.48Å; W158-D162 HydrophobicContact CG-CB 4.24Å; W158-D162 WeakPolarHBondContact O-CB 3.39Å; W158-D162 PolarHBondContact O-N 3.16Å; D162-N164 PolarHBondContact OD1-N 3.09Å; D162-N164 PolarHBondContact OD1-ND2 2.96Å; D162-N164 PolarHBondContact OD2-ND2 3.21Å
163L86.8Confident90.4Very high168 Ų16866 Ų6688%0.8832%0.323SS*.  trans-87.5-17.9179.5-62.2170.7000112.4
164N87.1Confident90.5Very high86 Ų8665.8 Ų65.846%0.4632%0.322SS..SBendtrans-64.1145.7-178.1-68.7-44.7000112.6R99 W158 D162 F166R99-N164 PolarHBondContact NH2-O 2.82Å; W158-N164 HydrophobicContact CZ2-CB 4.26Å; W158-N164 PolarHBondContact NE1-O 3.23Å; D162-N164 PolarHBondContact OD1-N 3.09Å; D162-N164 PolarHBondContact OD1-ND2 2.96Å; D162-N164 PolarHBondContact OD2-ND2 3.21Å; N164-F166 PolarHBondContact O-N 2.93Å
165P85.6Confident90.4Very high99 Ų9961.6 Ų61.664%0.64331%0.306SS*.  trans-57126.9179.825.5-34.1000110.6T95 W158T95-P165 HydrophobicContact CG2-CB 4.39Å; W158-P165 WeakPolarHBondContact CZ2-O 3.18Å
166F90.4Very high90.4Very high0 Ų065.7 Ų65.70%032%0.324CS..  trans-113.4107.4175.1-175.5-81.6000106.4T95 R99 T102 L155 W158 A159 N164 E170T95-F166 VanDerWaalsContact CA-O 3.24Å; T95-F166 WeakPolarHBondContact CA-O 3.43Å; T95-F166 WeakPolarHBondContact CB-O 3.36Å; R99-F166 HydrophobicContact CG-CB 3.69Å; R99-F166 HydrophobicContact CG-CD1 3.88Å; R99-F166 HydrophobicContact CG-CG 3.97Å; T102-F166 HydrophobicContact CG2-CZ 4.15Å; T102-F166 WeakPolarHBondContact OG1-CE1 3.4Å; T102-F166 VanDerWaalsContact OG1-CZ 3.29Å; T102-F166 WeakPolarHBondContact OG1-CZ 3.48Å; L155-F166 HydrophobicContact CD2-CE2 4.32Å; L155-F166 WeakPolarHBondContact O-CE2 3.29Å; W158-F166 HydrophobicContact CB-CD2 4.22Å; W158-F166 HydrophobicContact CB-CE2 4.48Å; W158-F166 AromaticContact CD1-CD2 3.92Å; W158-F166 HydrophobicContact CD2-CD2 4Å; W158-F166 AromaticContact CG-CD2 3.82Å; W158-F166 HydrophobicContact CG-CD2 3.82Å; W158-F166 HydrophobicContact CG-CE2 4.46Å; A159-F166 HydrophobicContact CB-CD1 4.4Å; A159-F166 HydrophobicContact CB-CD2 4.1Å; A159-F166 HydrophobicContact CB-CE1 4.21Å; A159-F166 HydrophobicContact CB-CE2 3.87Å; A159-F166 HydrophobicContact CB-CG 4.36Å; A159-F166 HydrophobicContact CB-CZ 3.94Å; N164-F166 PolarHBondContact O-N 2.93Å; F166-E170 HydrophobicContact CD1-CB 4.43Å; F166-E170 HydrophobicContact CD2-CB 3.73Å; F166-E170 HydrophobicContact CD2-CG 4.27Å; F166-E170 HydrophobicContact CE1-CB 4.21Å; F166-E170 HydrophobicContact CE2-CB 3.49Å; F166-E170 VanDerWaalsContact CE2-CB 3.49Å; F166-E170 HydrophobicContact CE2-CG 4.4Å; F166-E170 HydrophobicContact CG-CB 4.21Å; F166-E170 HydrophobicContact CZ-CB 3.74Å
167G89Confident90.4Very high16 Ų1665.6 Ų65.617%0.16532%0.324CS..  trans-110.1-160.1-170.700000112.8E170 Y171G167-E170 WeakPolarHBondContact CA-OE2 3.3Å; G167-E170 PolarHBondContact N-OE2 3.2Å; G167-Y171 WeakPolarHBondContact O-CB 3.37Å; G167-Y171 PolarHBondContact O-N 3.43Å
168E89.1Confident90.5Very high86 Ų8663.4 Ų63.440%0.40231%0.312SS..Hα-helixtrans-67.3-36.6-179-169.8172.6-167.700112.4Y98 Y171 R172Y98-E168 HydrophobicContact CD2-CB 4.33Å; Y98-E168 HydrophobicContact CE1-CB 4.09Å; Y98-E168 HydrophobicContact CE1-CG 3.97Å; Y98-E168 HydrophobicContact CE2-CB 3.56Å; Y98-E168 HydrophobicContact CE2-CG 4.27Å; Y98-E168 VanDerWaalsContact CZ-CB 3.45Å; Y98-E168 WeakPolarHBondContact OH-CB 3.31Å; Y98-E168 VanDerWaalsContact OH-CD 3.3Å; Y98-E168 WeakPolarHBondContact OH-CG 3.28Å; E168-Y171 PolarHBondContact O-N 3.32Å; E168-R172 VanDerWaalsContact CD-NH2 3.29Å; E168-R172 HydrophobicContact CG-CG 4.17Å; E168-R172 WeakPolarHBondContact O-CB 3.45Å; E168-R172 WeakPolarHBondContact O-CG 3.25Å; E168-R172 PolarHBondContact O-N 2.99Å; E168-R172 IonicContact OE1-CZ 3.24Å; E168-R172 VanDerWaalsContact OE1-CZ 3.24Å; E168-R172 IonicContact OE1-NE 2.66Å; E168-R172 PolarHBondContact OE1-NE 3.24Å; E168-R172 IonicContact OE1-NH2 3.32Å; E168-R172 PolarHBondContact OE1-NH2 2.81Å; E168-R172 IonicContact OE2-NH2 3.35Å
169S91.6Very high90.3Very high77 Ų7764.7 Ų64.754%0.53833%0.327SS..Hα-helixtrans-60.6-48.5-179.934.60000111.6Y171 R172 R173S169-Y171 VanDerWaalsContact C-N 3.35Å; S169-R172 PolarHBondContact O-N 3.18Å; S169-R173 WeakPolarHBondContact O-CB 3.33Å; S169-R173 PolarHBondContact O-N 3.46Å
170E92.8Very high90.1Very high42 Ų4267.8 Ų67.820%0.19634%0.343CS..Hα-helixtrans-67.7-39.3-179.6-62.868-132.100110.5L155 W158 F166 G167 R173 F174L155-E170 HydrophobicContact CD2-CB 4.02Å; L155-E170 HydrophobicContact CD2-CG 4.41Å; W158-E170 HydrophobicContact CE3-CG 4.15Å; W158-E170 HydrophobicContact CH2-CG 3.57Å; W158-E170 HydrophobicContact CZ2-CG 4.15Å; W158-E170 HydrophobicContact CZ3-CG 3.56Å; F166-E170 HydrophobicContact CD1-CB 4.43Å; F166-E170 HydrophobicContact CD2-CB 3.73Å; F166-E170 HydrophobicContact CD2-CG 4.27Å; F166-E170 HydrophobicContact CE1-CB 4.21Å; F166-E170 HydrophobicContact CE2-CB 3.49Å; F166-E170 VanDerWaalsContact CE2-CB 3.49Å; F166-E170 HydrophobicContact CE2-CG 4.4Å; F166-E170 HydrophobicContact CG-CB 4.21Å; F166-E170 HydrophobicContact CZ-CB 3.74Å; G167-E170 WeakPolarHBondContact CA-OE2 3.3Å; G167-E170 PolarHBondContact N-OE2 3.2Å; E170-R173 PolarHBondContact O-N 2.79Å; E170-F174 WeakPolarHBondContact O-CB 3.39Å; E170-F174 PolarHBondContact O-N 3.2Å
171Y92.3Very high90.1Very high34 Ų3463.1 Ų63.113%0.13333%0.325CS..Hα-helixtrans-64.9-45.9175.7178-112.8000113Y98 K101 T102 Q105 G167 E168 S169 R173 F174 C175Y98-Y171 AromaticContact CD1-CD1 3.54Å; Y98-Y171 HydrophobicContact CD1-CD1 3.54Å; Y98-Y171 HydrophobicContact CD1-CE1 4.33Å; Y98-Y171 AromaticContact CD1-CG 3.64Å; Y98-Y171 HydrophobicContact CD1-CG 3.64Å; Y98-Y171 AromaticContact CE1-CD1 3.87Å; Y98-Y171 HydrophobicContact CE1-CD1 3.87Å; Y98-Y171 HydrophobicContact CE1-CG 4.39Å; Y98-Y171 HydrophobicContact CG-CG 4.42Å; K101-Y171 HydrophobicContact CB-CD2 4.14Å; K101-Y171 HydrophobicContact CB-CE2 3.46Å; K101-Y171 VanDerWaalsContact CB-CE2 3.46Å; K101-Y171 HydrophobicContact CD-CE1 4.04Å; K101-Y171 HydrophobicContact CD-CE2 4.33Å; T102-Y171 WeakPolarHBondContact OG1-CD2 3.43Å; Q105-Y171 HydrophobicContact CG-CE2 4.35Å; G167-Y171 WeakPolarHBondContact O-CB 3.37Å; G167-Y171 PolarHBondContact O-N 3.43Å; E168-Y171 PolarHBondContact O-N 3.32Å; S169-Y171 VanDerWaalsContact C-N 3.35Å; Y171-R173 VanDerWaalsContact C-N 3.3Å; Y171-R173 PolarHBondContact O-N 3.16Å; Y171-F174 WeakPolarHBondContact O-CB 3.21Å; Y171-F174 PolarHBondContact O-N 2.95Å; Y171-C175 VanDerWaalsContact CE2-SG 3.55Å; Y171-C175 PolarHBondContact O-N 2.88Å; Y171-C175 PolarHBondContact O-SG 2.86Å
172R92.5Very high90.1Very high144 Ų14459.4 Ų59.454%0.54331%0.309SS..Hα-helixtrans-60.4-44.3176.8-75.7-178.1-172.8-172.25.5110.6E168 S169 F174 C175 E176E168-R172 VanDerWaalsContact CD-NH2 3.29Å; E168-R172 HydrophobicContact CG-CG 4.17Å; E168-R172 WeakPolarHBondContact O-CB 3.45Å; E168-R172 WeakPolarHBondContact O-CG 3.25Å; E168-R172 PolarHBondContact O-N 2.99Å; E168-R172 IonicContact OE1-CZ 3.24Å; E168-R172 VanDerWaalsContact OE1-CZ 3.24Å; E168-R172 IonicContact OE1-NE 2.66Å; E168-R172 PolarHBondContact OE1-NE 3.24Å; E168-R172 IonicContact OE1-NH2 3.32Å; E168-R172 PolarHBondContact OE1-NH2 2.81Å; E168-R172 IonicContact OE2-NH2 3.35Å; S169-R172 PolarHBondContact O-N 3.18Å; R172-F174 VanDerWaalsContact C-N 3.32Å; R172-F174 PolarHBondContact O-N 3.06Å; R172-C175 PolarHBondContact O-N 3.07Å; R172-E176 WeakPolarHBondContact O-CG 3.35Å; R172-E176 PolarHBondContact O-N 3.43Å
173R93.1Very high89.9Confident91 Ų9160.5 Ų60.534%0.34331%0.313SS..Hα-helixtrans-59.9-44.5175.4-174.760.2-179.6163.54.8111.4E151 L155 S169 E170 Y171 C175 E176 L177E151-R173 IonicContact OE1-CZ 3.06Å; E151-R173 IonicContact OE1-NE 3.01Å; E151-R173 PolarHBondContact OE1-NE 2.97Å; E151-R173 IonicContact OE1-NH2 3.91Å; E151-R173 PolarHBondContact OE1-NH2 3.39Å; E151-R173 IonicContact OE2-CZ 3.66Å; E151-R173 IonicContact OE2-NE 3.45Å; E151-R173 IonicContact OE2-NH2 3.12Å; E151-R173 PolarHBondContact OE2-NH2 3.23Å; L155-R173 HydrophobicContact CD1-CB 4.24Å; L155-R173 HydrophobicContact CD1-CG 3.84Å; S169-R173 WeakPolarHBondContact O-CB 3.33Å; S169-R173 PolarHBondContact O-N 3.46Å; E170-R173 PolarHBondContact O-N 2.79Å; Y171-R173 VanDerWaalsContact C-N 3.3Å; Y171-R173 PolarHBondContact O-N 3.16Å; R173-C175 PolarHBondContact O-N 3.34Å; R173-E176 IonicContact NH1-OE2 3.36Å; R173-E176 PolarHBondContact NH1-OE2 3.35Å; R173-E176 VanDerWaalsContact NH1-OE2 3.12Å; R173-E176 WeakPolarHBondContact O-CB 3.32Å; R173-E176 PolarHBondContact O-N 3.08Å; R173-L177 VanDerWaalsContact O-CG 3.31Å; R173-L177 WeakPolarHBondContact O-CG 3.44Å; R173-L177 PolarHBondContact O-N 2.93Å
174F93.5Very high89.8Confident0 Ų053.9 Ų53.90%028%0.278CS..Hα-helixtrans-58.7-45.2175.1177.9-91.7000112.2T102 Q105 F106 Y152 L155 E170 Y171 R172 L177 Q178T102-F174 HydrophobicContact CG2-CD1 3.78Å; T102-F174 HydrophobicContact CG2-CD2 3.72Å; T102-F174 HydrophobicContact CG2-CE1 3.75Å; T102-F174 HydrophobicContact CG2-CE2 3.68Å; T102-F174 HydrophobicContact CG2-CG 3.75Å; T102-F174 HydrophobicContact CG2-CZ 3.67Å; Q105-F174 HydrophobicContact CB-CE1 3.82Å; F106-F174 HydrophobicContact CB-CZ 4.37Å; Y152-F174 HydrophobicContact CD1-CE2 4.41Å; Y152-F174 AromaticContact CD2-CD2 3.98Å; Y152-F174 HydrophobicContact CD2-CD2 3.98Å; Y152-F174 AromaticContact CD2-CE2 3.75Å; Y152-F174 HydrophobicContact CD2-CE2 3.75Å; Y152-F174 HydrophobicContact CD2-CZ 4.36Å; Y152-F174 HydrophobicContact CE1-CE2 4.01Å; Y152-F174 HydrophobicContact CE1-CZ 4.26Å; Y152-F174 AromaticContact CE2-CD2 3.82Å; Y152-F174 HydrophobicContact CE2-CD2 3.82Å; Y152-F174 HydrophobicContact CE2-CE1 4.07Å; Y152-F174 AromaticContact CE2-CE2 3.27Å; Y152-F174 HydrophobicContact CE2-CE2 3.27Å; Y152-F174 HydrophobicContact CE2-CG 4.43Å; Y152-F174 AromaticContact CE2-CZ 3.44Å; Y152-F174 HydrophobicContact CE2-CZ 3.44Å; Y152-F174 VanDerWaalsContact CE2-CZ 3.44Å; Y152-F174 HydrophobicContact CG-CE2 4.31Å; Y152-F174 AromaticContact CZ-CE2 3.43Å; Y152-F174 VanDerWaalsContact CZ-CE2 3.43Å; Y152-F174 AromaticContact CZ-CZ 3.38Å; Y152-F174 WeakPolarHBondContact OH-CZ 3.37Å; L155-F174 HydrophobicContact CB-CB 4.38Å; L155-F174 HydrophobicContact CB-CD2 3.94Å; L155-F174 HydrophobicContact CD1-CB 4.27Å; E170-F174 WeakPolarHBondContact O-CB 3.39Å; E170-F174 PolarHBondContact O-N 3.2Å; Y171-F174 WeakPolarHBondContact O-CB 3.21Å; Y171-F174 PolarHBondContact O-N 2.95Å; R172-F174 VanDerWaalsContact C-N 3.32Å; R172-F174 PolarHBondContact O-N 3.06Å; F174-L177 PolarHBondContact O-N 3.37Å; F174-Q178 WeakPolarHBondContact O-CB 3.36Å; F174-Q178 PolarHBondContact O-N 3.23Å
175C92.5Very high89.6Confident29 Ų2949.8 Ų49.820%0.19626%0.256CS..Hα-helixtrans-63.8-40.7177-72.10000112.7Y171 R172 R173 L177 Q178 T179Y171-C175 VanDerWaalsContact CE2-SG 3.55Å; Y171-C175 PolarHBondContact O-N 2.88Å; Y171-C175 PolarHBondContact O-SG 2.86Å; R172-C175 PolarHBondContact O-N 3.07Å; R173-C175 PolarHBondContact O-N 3.34Å; C175-L177 VanDerWaalsContact C-N 3.33Å; C175-L177 PolarHBondContact O-N 2.87Å; C175-Q178 WeakPolarHBondContact O-CB 3.32Å; C175-Q178 PolarHBondContact O-N 3.5Å; C175-T179 PolarHBondContact O-N 2.88Å; C175-T179 PolarHBondContact O-OG1 3.47Å
176E93Very high89.2Confident99 Ų9950.5 Ų50.546%0.46325%0.254SS..Hα-helixtrans-58.2-45.7173.6-71.1169.4-17100111.6Y148 R172 R173 Q178 N180Y148-E176 PolarHBondContact OH-O 2.86Å; R172-E176 WeakPolarHBondContact O-CG 3.35Å; R172-E176 PolarHBondContact O-N 3.43Å; R173-E176 IonicContact NH1-OE2 3.36Å; R173-E176 PolarHBondContact NH1-OE2 3.35Å; R173-E176 VanDerWaalsContact NH1-OE2 3.12Å; R173-E176 WeakPolarHBondContact O-CB 3.32Å; R173-E176 PolarHBondContact O-N 3.08Å; E176-Q178 VanDerWaalsContact C-N 3.35Å; E176-N180 PolarHBondContact O-N 3.24Å
177L91.8Very high88.3Confident0 Ų058.6 Ų58.60%029%0.285CS..Hα-helixtrans-61.3-45.1175.2-63176.1000111.2Y148 E151 Y152 L155 R173 F174 C175 N180 L181Y148-L177 HydrophobicContact CD1-CD2 3.99Å; Y148-L177 HydrophobicContact CD2-CD2 3.7Å; Y148-L177 HydrophobicContact CE1-CB 4.02Å; Y148-L177 HydrophobicContact CE1-CD2 3.56Å; Y148-L177 HydrophobicContact CE1-CG 4.37Å; Y148-L177 WeakPolarHBondContact CE1-O 3.49Å; Y148-L177 HydrophobicContact CE2-CD2 3.25Å; Y148-L177 HydrophobicContact CG-CD2 4.04Å; Y148-L177 WeakPolarHBondContact OH-CA 3.46Å; Y148-L177 WeakPolarHBondContact OH-CD2 3.21Å; E151-L177 HydrophobicContact CB-CD1 4.05Å; E151-L177 HydrophobicContact CG-CD1 3.78Å; Y152-L177 HydrophobicContact CD2-CB 3.76Å; L155-L177 HydrophobicContact CD1-CD1 3.66Å; R173-L177 VanDerWaalsContact O-CG 3.31Å; R173-L177 WeakPolarHBondContact O-CG 3.44Å; R173-L177 PolarHBondContact O-N 2.93Å; F174-L177 PolarHBondContact O-N 3.37Å; C175-L177 VanDerWaalsContact C-N 3.33Å; C175-L177 PolarHBondContact O-N 2.87Å; L177-N180 PolarHBondContact O-N 3Å; L177-L181 WeakPolarHBondContact O-CG 3.46Å; L177-L181 PolarHBondContact O-N 2.92Å
178Q91.3Very high87Confident9 Ų958.9 Ų58.94%0.04228%0.283CS..Hα-helixtrans-64.2-45-179.8-164.4-171.9-7.800113.1Q105 L109 Y152 F174 C175 E176 N180 L181 L182Q105-Q178 PolarHBondContact O-NE2 3.34Å; L109-Q178 HydrophobicContact CB-CG 4.39Å; Y152-Q178 HydrophobicContact CE2-CB 3.79Å; Y152-Q178 HydrophobicContact CE2-CG 4.11Å; F174-Q178 WeakPolarHBondContact O-CB 3.36Å; F174-Q178 PolarHBondContact O-N 3.23Å; C175-Q178 WeakPolarHBondContact O-CB 3.32Å; C175-Q178 PolarHBondContact O-N 3.5Å; E176-Q178 VanDerWaalsContact C-N 3.35Å; Q178-N180 VanDerWaalsContact C-N 3.29Å; Q178-N180 PolarHBondContact O-N 3.36Å; Q178-L181 PolarHBondContact O-N 3.42Å; Q178-L182 WeakPolarHBondContact O-CB 3.23Å; Q178-L182 PolarHBondContact O-N 3.09Å
179T89.1Confident85.5Confident90 Ų9056.8 Ų56.855%0.55229%0.285SS*.Hα-helixtrans-60.5-43.1179.8-60.30000110.4C175 L182 E183C175-T179 PolarHBondContact O-N 2.88Å; C175-T179 PolarHBondContact O-OG1 3.47Å; T179-L182 PolarHBondContact O-N 2.83Å; T179-E183 WeakPolarHBondContact O-CB 3.47Å; T179-E183 PolarHBondContact O-N 2.8Å
180N87.8Confident83.3Confident70 Ų7059 Ų5937%0.37430%0.298SS..Hα-helixtrans-65.3-39.2176-73.4-16.4000112.1Y148 E176 L177 Q178 I184Y148-N180 HydrophobicContact CE1-CB 3.81Å; Y148-N180 WeakPolarHBondContact OH-CB 3.33Å; Y148-N180 PolarHBondContact OH-ND2 2.81Å; E176-N180 PolarHBondContact O-N 3.24Å; L177-N180 PolarHBondContact O-N 3Å; Q178-N180 VanDerWaalsContact C-N 3.29Å; Q178-N180 PolarHBondContact O-N 3.36Å; N180-I184 VanDerWaalsContact O-CG1 3.31Å; N180-I184 WeakPolarHBondContact O-CG1 3.38Å; N180-I184 PolarHBondContact O-N 3.22Å
181L86.8Confident80.8Confident0 Ų068.4 Ų68.40%033%0.332CS..Hα-helixtrans-65.2-44.5174.2-73.3174000112.1L109 M140 P144 Y148 I149 Y152 L177 Q178 E183 I184 V185L109-L181 HydrophobicContact CD1-CB 4.11Å; L109-L181 HydrophobicContact CD2-CB 4.28Å; L109-L181 HydrophobicContact CD2-CD1 3.9Å; M140-L181 HydrophobicContact CE-CD2 4.35Å; M140-L181 HydrophobicContact SD-CD2 4.27Å; P144-L181 HydrophobicContact CB-CD2 4.21Å; P144-L181 HydrophobicContact CG-CD2 3.84Å; Y148-L181 HydrophobicContact CD1-CD2 4.43Å; Y148-L181 HydrophobicContact CD1-CG 4.42Å; Y148-L181 HydrophobicContact CE1-CG 4.5Å; I149-L181 HydrophobicContact CG1-CD2 4.33Å; Y152-L181 HydrophobicContact CD1-CD1 4.13Å; Y152-L181 HydrophobicContact CD2-CD1 3.91Å; Y152-L181 HydrophobicContact CE1-CD1 4.43Å; Y152-L181 HydrophobicContact CE2-CD1 4.22Å; Y152-L181 HydrophobicContact CG-CD1 3.83Å; L177-L181 WeakPolarHBondContact O-CG 3.46Å; L177-L181 PolarHBondContact O-N 2.92Å; Q178-L181 PolarHBondContact O-N 3.42Å; L181-E183 VanDerWaalsContact C-N 3.31Å; L181-E183 PolarHBondContact O-N 2.97Å; L181-I184 PolarHBondContact O-N 2.9Å; L181-V185 VanDerWaalsContact O-CG2 3.3Å; L181-V185 WeakPolarHBondContact O-CG2 3.29Å; L181-V185 PolarHBondContact O-N 2.93Å
182L86.8Confident78.4Confident47 Ų4771.5 Ų71.525%0.24636%0.356CS..Hα-helixtrans-66.2-36.1179.8-168.367000111.4L109 A112 Q178 T179 V185 N186L109-L182 HydrophobicContact CD1-CD1 4.3Å; A112-L182 HydrophobicContact CB-CD1 3.5Å; A112-L182 VanDerWaalsContact CB-CD1 3.5Å; Q178-L182 WeakPolarHBondContact O-CB 3.23Å; Q178-L182 PolarHBondContact O-N 3.09Å; T179-L182 PolarHBondContact O-N 2.83Å; L182-V185 PolarHBondContact O-N 3.5Å; L182-N186 VanDerWaalsContact O-CB 3.31Å; L182-N186 WeakPolarHBondContact O-CB 3.35Å; L182-N186 PolarHBondContact O-N 2.98Å; L182-N186 PolarHBondContact O-ND2 3.38Å
183E85.5Confident76.2Confident84 Ų8470 Ų7039%0.39336%0.362SS..Hα-helixtrans-61.4-44173.2-178.1174.1-157.600111.7T179 L181 N186 R187T179-E183 WeakPolarHBondContact O-CB 3.47Å; T179-E183 PolarHBondContact O-N 2.8Å; L181-E183 VanDerWaalsContact C-N 3.31Å; L181-E183 PolarHBondContact O-N 2.97Å; E183-N186 PolarHBondContact O-N 3.44Å; E183-R187 WeakPolarHBondContact O-CB 3.31Å; E183-R187 WeakPolarHBondContact O-CG 3.41Å; E183-R187 PolarHBondContact O-N 3.06Å; E183-R187 IonicContact OE1-CZ 3.57Å; E183-R187 VanDerWaalsContact OE1-CZ 3.32Å; E183-R187 IonicContact OE1-NE 3.5Å; E183-R187 PolarHBondContact OE1-NE 3.49Å; E183-R187 IonicContact OE1-NH2 2.63Å; E183-R187 PolarHBondContact OE1-NH2 3.26Å
184I83.7Confident73.6Confident29 Ų2976.8 Ų76.815%0.14939%0.39CS..Hα-helixtrans-65.3-42176.7-64164.2000111M140 P142 P144 N180 L181 R187 T188M140-I184 HydrophobicContact CB-CG2 3.66Å; M140-I184 HydrophobicContact CG-CG2 4.15Å; P142-I184 WeakPolarHBondContact O-CG2 3.29Å; P144-I184 HydrophobicContact CB-CD1 3.95Å; P144-I184 HydrophobicContact CG-CD1 4.31Å; N180-I184 VanDerWaalsContact O-CG1 3.31Å; N180-I184 WeakPolarHBondContact O-CG1 3.38Å; N180-I184 PolarHBondContact O-N 3.22Å; L181-I184 PolarHBondContact O-N 2.9Å; I184-R187 PolarHBondContact O-N 3.34Å; I184-T188 PolarHBondContact O-N 3.46Å; I184-T188 PolarHBondContact O-OG1 2.96Å
185V82.5Confident70.9Confident0 Ų081.6 Ų81.60%042%0.423CS..Hα-helixtrans-62.7-45.5177.1173.30000110.7A112 I113 L116 M140 L181 L182 R187 T188A112-V185 HydrophobicContact CB-CG1 4.29Å; I113-V185 HydrophobicContact CG1-CG1 4.47Å; I113-V185 HydrophobicContact CG1-CG2 3.94Å; L116-V185 HydrophobicContact CD1-CG1 3.48Å; L116-V185 VanDerWaalsContact CD1-CG1 3.48Å; L116-V185 HydrophobicContact CD2-CG1 4.28Å; L116-V185 WeakPolarHBondContact CD2-O 3.39Å; M140-V185 HydrophobicContact CE-CG2 3.5Å; M140-V185 HydrophobicContact CG-CG2 4.04Å; L181-V185 VanDerWaalsContact O-CG2 3.3Å; L181-V185 WeakPolarHBondContact O-CG2 3.29Å; L181-V185 PolarHBondContact O-N 2.93Å; L182-V185 PolarHBondContact O-N 3.5Å; V185-R187 VanDerWaalsContact C-N 3.34Å; V185-R187 PolarHBondContact O-N 2.98Å; V185-T188 PolarHBondContact O-N 3.4Å
186N78.7Confident68.1Low113 Ų11386.3 Ų86.360%0.60446%0.457SS*.Hα-helixtrans-69.4-28.7179.9-71.3-16.8000113.3L182 E183 T188L182-N186 VanDerWaalsContact O-CB 3.31Å; L182-N186 WeakPolarHBondContact O-CB 3.35Å; L182-N186 PolarHBondContact O-N 2.98Å; L182-N186 PolarHBondContact O-ND2 3.38Å; E183-N186 PolarHBondContact O-N 3.44Å; N186-T188 VanDerWaalsContact C-N 3.28Å
187R71.7Confident65.4Low170 Ų17085.4 Ų85.464%0.64247%0.473SS*.Hα-helixtrans-72.7-21.9174.5-75.4171.3-179.6-148.84.3112.7E183 I184 V185 G189E183-R187 WeakPolarHBondContact O-CB 3.31Å; E183-R187 WeakPolarHBondContact O-CG 3.41Å; E183-R187 PolarHBondContact O-N 3.06Å; E183-R187 IonicContact OE1-CZ 3.57Å; E183-R187 VanDerWaalsContact OE1-CZ 3.32Å; E183-R187 IonicContact OE1-NE 3.5Å; E183-R187 PolarHBondContact OE1-NE 3.49Å; E183-R187 IonicContact OE1-NH2 2.63Å; E183-R187 PolarHBondContact OE1-NH2 3.26Å; I184-R187 PolarHBondContact O-N 3.34Å; V185-R187 VanDerWaalsContact C-N 3.34Å; V185-R187 PolarHBondContact O-N 2.98Å; R187-G189 VanDerWaalsContact C-N 3.35Å; R187-G189 PolarHBondContact O-N 3.37Å
188T61Low62.7Low22 Ų2288.3 Ų88.314%0.13550%0.504CS..  trans-86.479.4-174.6-46.90000110.6L116 I139 N141 I184 V185 N186L116-T188 WeakPolarHBondContact CD2-O 3.44Å; I139-T188 WeakPolarHBondContact O-CB 3.33Å; I139-T188 WeakPolarHBondContact O-CG2 3.42Å; I139-T188 PolarHBondContact O-OG1 3.44Å; I139-T188 VanDerWaalsContact O-OG1 3.05Å; N141-T188 HydrophobicContact CB-CG2 4.29Å; N141-T188 PolarHBondContact N-OG1 3.38Å; I184-T188 PolarHBondContact O-N 3.46Å; I184-T188 PolarHBondContact O-OG1 2.96Å; V185-T188 PolarHBondContact O-N 3.4Å; N186-T188 VanDerWaalsContact C-N 3.28Å
189G56.5Low60.3Low42 Ų4295 Ų9543%0.43354%0.538SS..PPolyproline II helixtrans-63.5154.5162.500000111.4R187 W191R187-G189 VanDerWaalsContact C-N 3.35Å; R187-G189 PolarHBondContact O-N 3.37Å; G189-W191 PolarHBondContact O-N 3.45Å
190P46.6Very low57.8Low125 Ų12597.3 Ų97.381%0.81255%0.547SS*.PPolyproline II helixtrans-71.3116.6-163.427.7-33.3000111.9
191W41Very low55.6Low239 Ų23999.8 Ų99.891%0.90557%0.565SS**PPolyproline II helixtrans-102.1120.3159.6-76.997.8000109.7G189G189-W191 PolarHBondContact O-N 3.45Å
192P41.5Very low53.2Low99 Ų99108 Ų10864%0.64361%0.607SS**PPolyproline II helixtrans-90.9151.4164.737.2-30.8000110.3
193V45.4Very low50.8Low112 Ų112109 Ų10968%0.67963%0.629SS**  trans83.5101.5154.7-149.80000117.7S195V193-S195 VanDerWaalsContact CG1-OG 3.27Å; V193-S195 WeakPolarHBondContact CG1-OG 3.5Å; V193-S195 PolarHBondContact O-N 2.89Å
194Y38.6Very low48.6Very low234 Ų234114.1 Ų114.192%0.91865%0.652SS**  trans-61.983.6143.6-65.7-85.4000108.8
195S36.4Very low46.4Very low100 Ų100117.7 Ų117.770%0.69968%0.68SS**  trans-90.3104.2163.8-91.80000107.3V193 G197V193-S195 VanDerWaalsContact CG1-OG 3.27Å; V193-S195 WeakPolarHBondContact CG1-OG 3.5Å; V193-S195 PolarHBondContact O-N 2.89Å; S195-G197 VanDerWaalsContact C-N 3.26Å; S195-G197 PolarHBondContact O-N 3.43Å
196S34.9Very low44.1Very low129 Ų129122.7 Ų122.790%0.90272%0.715SS**  trans-61.186.2168.5179.90000109.6G198S196-G198 PolarHBondContact O-N 2.95Å
197G35Very low42.3Very low79 Ų79122.5 Ų122.581%0.81472%0.723SS**  trans-94.183.3173.400000110.8S195S195-G197 VanDerWaalsContact C-N 3.26Å; S195-G197 PolarHBondContact O-N 3.43Å
198G36.8Very low40.5Very low62 Ų62123.1 Ų123.164%0.63973%0.733SS**  trans-83.7113.8167.800000111.3S196S196-G198 PolarHBondContact O-N 2.95Å
199I40.7Very low39.4Very low150 Ų150131.2 Ų131.277%0.76977%0.769SS**  trans5399.7137.6-9.7179.3000119.1
200N36Very low38.2Very low138 Ų138134.1 Ų134.174%0.73878%0.783SS**  trans50.1131.2130.4-53-14.7000123.1
201T42.5Very low37.9Very low122 Ų122132.8 Ų132.875%0.74878%0.776SS**  trans77.8104.9140.445.70000121.1
202I35.9Very low37.7Very low173 Ų173130.6 Ų130.689%0.88777%0.773SS**  51.4116.7125.7-65.3164000117.8
203G36.1Very low37.5Very low67 Ų67134.2 Ų134.269%0.69179%0.785SS**  trans134.598.5151.600000116.1
204Q40.2Very low37.2Very low191 Ų191137.5 Ų137.589%0.89379%0.792SS**  trans36.9133.3142-77.2174.6-18.600123.1
205S35.5Very low37Very low104 Ų104135.7 Ų135.773%0.72779%0.79SS**  trans77.7109.2143.4800000120.8
206S35.5Very low37Very low106 Ų106142.5 Ų142.574%0.74180%0.8SS**  62.7137.9126.568.40000121.8
207S40.3Very low36.9Very low109 Ų109142.6 Ų142.676%0.76280%0.795SS**  trans94.8100.315673.10000117.9
208E33.7Very low36.9Very low183 Ų183147.4 Ų147.486%0.85580%0.796SS**  trans21.1117.8134-62.5178.1135.400118.9
209H38.4Very low37Very low191 Ų191149.6 Ų149.688%0.88480%0.802SS**  -162.9134.2117.1-117.4-15.5000114.7
210S31.9Very low36.7Very low104 Ų104149.8 Ų149.873%0.72780%0.804SS**  trans-38.2137166.2-178.40000115.8
211S38.8Very low36.8Very low96 Ų96151.7 Ų151.767%0.67181%0.806SS**  trans-178116.1132.9-81.70000115.1
212K37.3Very low36.4Very low194 Ų194154.8 Ų154.884%0.84381%0.809SS**  trans70.690.8132.4-59.1175-174.3175.80119.1
213I37.1Very low36.8Very low174 Ų174151.6 Ų151.689%0.89279%0.793SS**  trans-74.8119.3159.2-67.4169.7000109.6K215I213-K215 PolarHBondContact O-N 3.25Å
214H38.7Very low36.7Very low181 Ų181155.5 Ų155.584%0.83880%0.798SS**  trans-66.3109.3170-107.2-64.6000110.6R216H214-R216 PolarHBondContact O-N 2.95Å
215K34.5Very low36.5Very low197 Ų197153 Ų15386%0.85778%0.784SS**  trans-63.7109.8162.2-107.2176176.3174.70108.6I213 T217I213-K215 PolarHBondContact O-N 3.25Å; K215-T217 PolarHBondContact O-N 3.35Å
216R36.8Very low36.6Very low243 Ų243153.3 Ų153.392%0.91778%0.784SS**  trans-75.3111.7171.3-144.6172.2-176.1141.1-1.6108H214 H218H214-R216 PolarHBondContact O-N 2.95Å; R216-H218 PolarHBondContact O-N 3.44Å
217T34Very low36.7Very low131 Ų131152.8 Ų152.880%0.80478%0.78SS**  trans-62.4123.1179.211.70000110.7K215 S219K215-T217 PolarHBondContact O-N 3.35Å; T217-S219 PolarHBondContact O-N 2.93Å; T217-S219 VanDerWaalsContact O-N 3.09Å
218H34.3Very low36.4Very low179 Ų179157 Ų15783%0.82979%0.785SS**  trans-63.8105.1165.8-77.6-95000108.9R216 N220R216-H218 PolarHBondContact O-N 3.44Å; H218-N220 PolarHBondContact O-N 3.49Å; H218-N220 VanDerWaalsContact O-N 3.14Å
219S38.5Very low36.4Very low109 Ų109155.3 Ų155.376%0.76278%0.781SS**  trans-68.2107.5166.756.80000108.5T217 F221T217-S219 PolarHBondContact O-N 2.93Å; T217-S219 VanDerWaalsContact O-N 3.09Å; S219-F221 PolarHBondContact O-N 3.27Å
220N35.5Very low36.2Very low153 Ų153151.1 Ų151.182%0.81876%0.761SS**  trans-62.495.2167.6-77.5-77.7000109H218 K222H218-N220 PolarHBondContact O-N 3.49Å; H218-N220 VanDerWaalsContact O-N 3.14Å; N220-K222 VanDerWaalsContact C-N 3.31Å; N220-K222 PolarHBondContact O-N 3.49Å
221F37.4Very low36.3Very low178 Ų178155 Ų15578%0.78177%0.765SS**  trans-77.188.2169.8-157.8-100.4000108.3S219 I223S219-F221 PolarHBondContact O-N 3.27Å; F221-I223 HydrophobicContact CD1-CD1 4.04Å; F221-I223 HydrophobicContact CD1-CG1 3.49Å; F221-I223 VanDerWaalsContact CD1-CG1 3.49Å; F221-I223 HydrophobicContact CE1-CD1 4.07Å; F221-I223 HydrophobicContact CE1-CG1 3.6Å; F221-I223 PolarHBondContact O-N 2.95Å
222K35Very low36.1Very low188 Ų188154.6 Ų154.682%0.81777%0.767SS**  trans-82.492.4177.7-153.6165.9-176.3177.60107.6N220 N224N220-K222 VanDerWaalsContact C-N 3.31Å; N220-K222 PolarHBondContact O-N 3.49Å; K222-N224 PolarHBondContact O-N 3.4Å
223I44.1Very low36.1Very low105 Ų105151.4 Ų151.454%0.53876%0.764SS.*  trans-67.9104.4170.5-57.6179.4000106.9F221 F225F221-I223 HydrophobicContact CD1-CD1 4.04Å; F221-I223 HydrophobicContact CD1-CG1 3.49Å; F221-I223 VanDerWaalsContact CD1-CG1 3.49Å; F221-I223 HydrophobicContact CE1-CD1 4.07Å; F221-I223 HydrophobicContact CE1-CG1 3.6Å; F221-I223 PolarHBondContact O-N 2.95Å; I223-F225 HydrophobicContact CG2-CD2 4.14Å; I223-F225 HydrophobicContact CG2-CE2 3.87Å; I223-F225 HydrophobicContact CG2-CZ 4.29Å; I223-F225 PolarHBondContact O-N 2.99Å
224N32.6Very low36Very low149 Ų149151.4 Ų151.480%0.79776%0.76SS**  trans-81.293.7176.3-150.530.5000107.3K222K222-N224 PolarHBondContact O-N 3.4Å
225F36.3Very low35.7Very low138 Ų138151.3 Ų151.361%0.60576%0.76SS**  trans-63.6141163.4-76.6-83.6000108.2L125 I223 S227L125-F225 HydrophobicContact CD1-CZ 4.32Å; I223-F225 HydrophobicContact CG2-CD2 4.14Å; I223-F225 HydrophobicContact CG2-CE2 3.87Å; I223-F225 HydrophobicContact CG2-CZ 4.29Å; I223-F225 PolarHBondContact O-N 2.99Å; F225-S227 PolarHBondContact O-N 3.04Å
226P38.7Very low35.7Very low111 Ų111147.7 Ų147.772%0.72176%0.759SS**  trans-58.5107.6170.123.9-28.8000106.8F228P226-F228 PolarHBondContact O-N 3.36Å; P226-F228 VanDerWaalsContact O-N 3.08Å
227S36.3Very low35.6Very low95 Ų95145.1 Ų145.166%0.66476%0.758SS**  trans-57.2118.7172.147.30000106.4F225 L229F225-S227 PolarHBondContact O-N 3.04Å; S227-L229 VanDerWaalsContact C-N 3.27Å; S227-L229 PolarHBondContact O-N 3.3Å
228F34.3Very low35.4Very low197 Ų197144.3 Ų144.386%0.86475%0.754SS**  trans-56.2104163.1-70.8-78.6000105.9P226 F230P226-F228 PolarHBondContact O-N 3.36Å; P226-F228 VanDerWaalsContact O-N 3.08Å; F228-F230 PolarHBondContact O-N 3.47Å
229L33.9Very low35.2Very low149 Ų149147.3 Ų147.378%0.7876%0.759SS**  trans-67.877.4-169-121.1162000109.2S227 K231S227-L229 VanDerWaalsContact C-N 3.27Å; S227-L229 PolarHBondContact O-N 3.3Å; L229-K231 VanDerWaalsContact C-N 3.31Å; L229-K231 PolarHBondContact O-N 3.45Å; L229-K231 VanDerWaalsContact O-N 3.16Å
230F35Very low34.7Very low103 Ų103147.9 Ų147.945%0.45276%0.757SS.*  trans-80.688162.6-103.9-84000107.4F228 A232F228-F230 PolarHBondContact O-N 3.47Å; F230-A232 PolarHBondContact O-N 2.94Å
231K32.7Very low34.6Very low186 Ų186147.1 Ų147.181%0.80976%0.758SS**  trans-65.496.1169-162.1166.6-175.3175.80107.8L229 T233L229-K231 VanDerWaalsContact C-N 3.31Å; L229-K231 PolarHBondContact O-N 3.45Å; L229-K231 VanDerWaalsContact O-N 3.16Å; K231-T233 PolarHBondContact O-N 3.39Å
232A36Very low34.1Very low87 Ų87149.4 Ų149.472%0.71976%0.761SS**  trans-79.9109.2170.700000107.9F230 E234F230-A232 PolarHBondContact O-N 2.94Å; A232-E234 PolarHBondContact O-N 3.36Å
233T35.8Very low34.1Very low127 Ų127146.7 Ų146.778%0.77977%0.766SS**  trans-69.3110.7167.5-49.90000107.8K231K231-T233 PolarHBondContact O-N 3.39Å
234E34.8Very low33.4Very low174 Ų174145.1 Ų145.181%0.81378%0.775SS**  trans-72.9118.9172.6-65.5-168.3156.300110.1A232A232-E234 PolarHBondContact O-N 3.36Å
235H33.1Very low33.3Very low178 Ų178143.2 Ų143.282%0.82478%0.78SS**  trans-158.8104.7153.7-85.6-23.2000109.1
236S33.7Very low33Very low121 Ų121142 Ų14285%0.84679%0.789SS**  trans162.9107.6135.363.30000110.3
237Q34.6Very low32.4Very low190 Ų190142.3 Ų142.389%0.88879%0.789SS**PPolyproline II helixtrans-67.3139.1166.3-77.4-108.2-0.800110.9
238P31.1Very low32.2Very low113 Ų113144.1 Ų144.173%0.73480%0.796SS**PPolyproline II helixtrans-93.5127.5166.833.1-25.3000110.9
239R29.5Very low31.9Very low243 Ų243139.9 Ų139.992%0.91779%0.786SS**PPolyproline II helixtrans-80126.8174.5-165.4178.9-152.3163.15.4110
240V28.9Very low31.8Very low120 Ų120139.1 Ų139.173%0.72779%0.787SS**PPolyproline II helixtrans-72.7132.3173.8175.10000110.2R242V240-R242 HydrophobicContact CG1-CG 4.48Å
241V33.7Very low31.3Very low138 Ų138139.6 Ų139.684%0.83680%0.799SS**  trans-130.2120158.2179.50000108
242R26.8Very low31.3Very low226 Ų226136.7 Ų136.785%0.85380%0.797SS**  trans-95.9140.3172.2-84.4178168.9157.9-4109.4V240V240-R242 HydrophobicContact CG1-CG 4.48Å
243S34.3Very low31.1Very low131 Ų131138.5 Ų138.592%0.91680%0.799SS**  trans178.9132.4147.2-86.30000105.6
244G30Very low30.9Very low71 Ų71139.7 Ų139.773%0.73280%0.799SS**  cis145.5111.79.600000107.2
245A29.1Very low30.9Very low109 Ų109137.6 Ų137.690%0.90180%0.801SS**  trans62154.9169.700000116.7
246S30.6Very low30.8Very low113 Ų113134.2 Ų134.279%0.7980%0.797SS**  cis-148.6149.716.8-1650000110.5
247V27Very low31Very low118 Ų118133.5 Ų133.572%0.71579%0.792SS**  trans-85.8142.9177.8171.70000109.3
248T32.2Very low31.1Very low133 Ų133129.6 Ų129.682%0.81679%0.785SS**  trans-139.9113.9153.8-53.80000109.2
249T26.9Very low31.4Very low107 Ų107130.3 Ų130.366%0.65679%0.793SS**  trans-83.8135.7176.4-43.20000109.2
250V31.8Very low31.4Very low134 Ų134123.5 Ų123.581%0.81278%0.783SS**  trans-132.4116.4156.7-169.10000108.6
251T25.5Very low31.7Very low113 Ų113126.2 Ų126.269%0.69379%0.793SS**  trans-94133.3177.4-57.40000108.7
252T31.8Very low31.6Very low125 Ų125125.6 Ų125.677%0.76779%0.789SS**  trans-153.5106.1154.4-570000111.8
253T31Very low32Very low124 Ų124121 Ų12176%0.76179%0.786SS**  trans18.7136.1145.140.60000124.6
254I32.3Very low31.8Very low153 Ų153118.9 Ų118.979%0.78578%0.777SS**  trans-73.5164.1168.7-44.7166.5000110.7
255P35.7Very low32.1Very low130 Ų130123.4 Ų123.484%0.84478%0.782SS**  -143.7159.310235.9-19.1000116.3
256S30.7Very low32.2Very low106 Ų106124.1 Ų124.174%0.74178%0.776SS**  trans-91.7152.3-175.447.40000115
257S37.7Very low32.2Very low107 Ų107125.1 Ų125.175%0.74878%0.778SS**  trans-165.8104.7148.847.20000109.1
258S36.1Very low32.5Very low107 Ų107125.4 Ų125.475%0.74878%0.784SS**  67.3107.990.671.20000115.3
259S37.6Very low32.6Very low128 Ų128126.7 Ų126.790%0.89579%0.785SS**  174.2140.7113.144.90000112.3
260S29.9Very low32.9Very low101 Ų101126.1 Ų126.171%0.70679%0.791SS**  trans-80.9152.1-175.347.90000113.6
261L35.8Very low32.9Very low177 Ų177127.2 Ų127.293%0.92779%0.791SS**  trans-157.3123.2140.5-104.1141.2000112.2
262T30.3Very low33.4Very low124 Ų124127.4 Ų127.476%0.76180%0.798SS**  trans-83.4141.4178.7-31.80000109.6
263T35.3Very low33.4Very low130 Ų130128.2 Ų128.280%0.79880%0.802SS**  trans-148.7119.8156.4-61.90000109.9
264A30Very low33.7Very low87 Ų87127.2 Ų127.272%0.71981%0.807SS**  trans-86.8145.3170.900000109.9
265I36.6Very low33.6Very low165 Ų165126 Ų12685%0.84681%0.807SS**  trans-129.8124.3164-62.1-179.1000109.2
266T32.7Very low33.7Very low125 Ų125127.2 Ų127.277%0.76781%0.806SS**  trans-81.7143-175.5-57.40000111.7
267T29.7Very low33.8Very low134 Ų134127 Ų12782%0.82280%0.804SS**  trans-74.5140.5169.834.30000112
268S34.1Very low33.4Very low123 Ų123127.6 Ų127.686%0.8681%0.808SS**  trans-133132.4162.154.10000110.3
269I33.9Very low33.6Very low160 Ų160128.5 Ų128.582%0.82181%0.811SS**  trans-93.4132.8179.3-63.9165.7000106.9
270A32.7Very low33.2Very low96 Ų96127.8 Ų127.879%0.79381%0.807SS**  trans-119.5114.916700000109.4
271L32.5Very low33.4Very low156 Ų156130.4 Ų130.482%0.81781%0.811SS**  trans-86.4134168.9-134.173.6000107.6
272S34.8Very low33.3Very low118 Ų118126.5 Ų126.583%0.82580%0.798SS**  trans-137.4105.9170-58.50000109.4
273T31.7Very low33.2Very low141 Ų141127 Ų12787%0.86580%0.801SS**  trans-76.2128168.117.50000109.5
274A37.1Very low33Very low104 Ų104127 Ų12786%0.8680%0.8SS**  trans-126.9109.9163.900000108.9
275T31.3Very low33.2Very low128 Ų128130 Ų13079%0.78580%0.799SS**  trans-94130.3160.237.80000106.6
276L36.6Very low33.1Very low155 Ų155130 Ų13081%0.81280%0.796SS**  trans174.7134.3132.5-117.273.7000113
277S34.3Very low33.2Very low102 Ų102129.5 Ų129.571%0.71380%0.797SS**  trans63.4109.6140.3640000121.1
278S29.8Very low33.4Very low119 Ų119134.6 Ų134.683%0.83280%0.802SS**  trans-66.1155.4153.2-45.60000112.5
279P40.3Very low33.6Very low125 Ų125134.6 Ų134.681%0.81280%0.799SS**  trans-121.9133.4149.234.1-21.4000111.9
280S27.6Very low34.1Very low114 Ų114134 Ų13480%0.79780%0.802SS**  trans-92.8126.1171.147.80000110.8
281I35.4Very low34.1Very low156 Ų156140.2 Ų140.280%0.881%0.805SS**  trans-146124.3164-67-171.2000112.2
282S33.6Very low34.2Very low95 Ų95138 Ų13866%0.66480%0.798SS**  trans31.3118.1153.368.90000121
283V26.6Very low34.3Very low135 Ų135141.3 Ų141.382%0.81880%0.798SS**  54.2114.677.9-175.30000114.4
284V33Very low34.3Very low128 Ų128140.9 Ų140.978%0.77680%0.795SS**  trans-178.2128.3134.8139.60000113.2
285H34.1Very low34.3Very low151 Ų151143.4 Ų143.470%0.69979%0.793SS**  trans62.4106.7157.5-80.7-93.9000122
286Q33.5Very low34.4Very low165 Ų165142.1 Ų142.177%0.77179%0.789SS**  57115.990.8-82.1179.8-5.300113.9
287S35.6Very low34.5Very low115 Ų115146.2 Ų146.280%0.80479%0.793SS**  -178.6134.56630.50000114.2
288R33.7Very low34.7Very low241 Ų241148.2 Ų148.291%0.90980%0.802SS**  trans58.6126.1141.9-139.9175.1-165.7179.33.5123.1
289P36.8Very low35.2Very low123 Ų123146.4 Ų146.480%0.79980%0.802SS**  trans-101.5157.6167.837.8-29.3000113.3
290T45.6Very low35.1Very low146 Ų146149.4 Ų149.490%0.89681%0.805SS**  trans-126126.7169.3-33.50000111.6
291R32.1Very low35.7Very low228 Ų228148.8 Ų148.886%0.8680%0.798SS**  trans-64.4158.4175.9-174.5-175.9-176.6172.71.3111.5
292V34.2Very low35.9Very low110 Ų110147.3 Ų147.367%0.66780%0.802SS**  153.7130121.41690000114.6
293K37.4Very low36Very low187 Ų187146.1 Ų146.181%0.81381%0.805SS**  trans80.5102.5150.5-84162.4-171.6176.20122.3
294V32.5Very low36.7Very low132 Ų132147.7 Ų147.780%0.881%0.808SS**  trans-51.4133.8134.5174.70000110.9
295L36Very low36.9Very low156 Ų156149 Ų14982%0.81781%0.81SS**  trans-145.7120.7150.7-14580.8000109.6
296S32.7Very low37.1Very low101 Ų101149.8 Ų149.871%0.70682%0.819SS**  trans-70.5143.917039.70000111.2
297R39.2Very low37.4Very low241 Ų241150.7 Ų150.791%0.90982%0.82SS**  trans-145.2110.9153.9-107.2-179.1-173.8-165.50.8111.4
298T39.9Very low37.2Very low145 Ų145156.9 Ų156.989%0.8983%0.826SS**  trans-44.9144.2157.731.60000114.3
299G40.1Very low37.3Very low81 Ų81152.3 Ų152.384%0.83582%0.819SS**  trans-178.375.1169.400000113
300Q36.8Very low37.1Very low187 Ų187151.4 Ų151.487%0.87482%0.815SS**  trans-81.5178.8152.8-118.5-160.7-13.100108.4
301P41.3Very low36.9Very low101 Ų101152.1 Ų152.166%0.65681%0.808SS**  cis-138.3161.7-17.735.4-17.4000113.8
302S40.1Very low37.1Very low126 Ų126146.4 Ų146.488%0.88180%0.803SS**  trans165.8122.7149.9480000107.1
303G35Very low37.2Very low70 Ų70147.2 Ų147.272%0.72281%0.809SS**  cis117.167.633.200000108.6
304L40.9Very low37.3Very low167 Ų167147.2 Ų147.287%0.87481%0.811SS**  trans-138.697.6164.6-78.5177000110
305N36.8Very low37.5Very low156 Ų156150.6 Ų150.683%0.83481%0.809SS**  trans-68.8128.4159.6-95.2-91.8000108.5
306L38.6Very low37.9Very low167 Ų167153 Ų15387%0.87481%0.813SS**  trans-134.7120154-102.7142.1000110
307K40.4Very low38.2Very low185 Ų185154 Ų15480%0.80481%0.805SS**  trans-63.6136-169.1-82.9163.5167.4170.10112.4L309K307-L309 PolarHBondContact O-N 2.98Å
308R31.3Very low38.3Very low245 Ų245151.8 Ų151.893%0.92580%0.804SS**  trans-49.8118.7148.9-120.9174.5172.5179.5-2.3109.1
309L36.3Very low38Very low145 Ų145151.8 Ų151.876%0.75980%0.795SS**  trans-108.4102.2162.9-86.1163.6000108.8K307K307-L309 PolarHBondContact O-N 2.98Å
310S32.4Very low38Very low103 Ų103155.6 Ų155.672%0.7280%0.795SS**  trans-81.8123.3161500000109.6
311H41.2Very low37.9Very low161 Ų161153.7 Ų153.775%0.74579%0.79SS**  trans-133.699.9157.2-71.5-77.6000105.5
312S36.5Very low37.5Very low109 Ų109155 Ų15576%0.76280%0.796SS**  65.711870.6-163.10000112.9
313T35.2Very low37.2Very low127 Ų127154.2 Ų154.278%0.77979%0.79SS**  trans-85.5141-167.247.70000113.5
314H39.1Very low37.4Very low187 Ų187156.3 Ų156.387%0.86679%0.791SS**  trans-140.4108.3157.1-97.4-86.3000106.2
315R37.3Very low37.2Very low202 Ų202153.3 Ų153.376%0.76278%0.784SS**  66.410162-155.3-175.2-167.8-166.65.6114.9
316K44.4Very low37.3Very low206 Ų206153.7 Ų153.790%0.89678%0.781SS**  trans-168.896.5144.5-112.4175.2175.5176.50107.3
317K39.7Very low37.3Very low122 Ų122153.1 Ų153.153%0.5377%0.773SS.*  52.910880.3-84.7-157.1169.8-141.10115.4E319K317-E319 IonicContact NZ-OE1 2.85Å; K317-E319 PolarHBondContact NZ-OE1 3.02Å
318H40.6Very low37.2Very low195 Ų195152 Ų15290%0.90377%0.771SS**  trans-165.588.4141.7-84.9-76.4000104.2
319E34.7Very low37.3Very low146 Ų146145.8 Ų145.868%0.68276%0.76SS**  40.711381.7-81.8179.2-147.400114.6K317K317-E319 IonicContact NZ-OE1 2.85Å; K317-E319 PolarHBondContact NZ-OE1 3.02Å
320L38.5Very low37.3Very low161 Ų161145.9 Ų145.984%0.84376%0.761SS**  trans17494.5139.8-85.7179.3000108.1
321L36.4Very low37.5Very low146 Ų146147.3 Ų147.376%0.76477%0.765SS**  68.5108.3102.8-64.6179000114.7
322V32.5Very low37.2Very low130 Ų130142.7 Ų142.779%0.78876%0.762SS**  71.5132.586.2167.30000111.5
323S32.7Very low37.1Very low109 Ų109145.5 Ų145.576%0.76277%0.768SS**  cis-165.6178.16.6-121.90000110
324P40.2Very low36.8Very low114 Ų114144.4 Ų144.474%0.7477%0.766SS**  trans-109.7165.6-167.941.3-32000115.9
325S36Very low36.6Very low103 Ų103142.5 Ų142.572%0.7276%0.761SS**  trans176.7153.1160.945.60000107.2
326E39.7Very low36.2Very low165 Ų165140.9 Ų140.977%0.77177%0.766SS**  cis-173.8157.37.2-106.8161.6-162.900108
327H37.9Very low35.8Very low155 Ų155138.5 Ų138.572%0.71876%0.762SS**  trans64.7143.1153.5-79.5-118.3000119.1
328E38.3Very low35.3Very low161 Ų161141.2 Ų141.275%0.75278%0.776SS**  cis-163.1161.224.4-138.9154.9-14700113.3
329T33.7Very low34.8Very low115 Ų115136.2 Ų136.271%0.70676%0.763SS**  trans-54.8154.4-18046.40000118.5
330L37.4Very low34.5Very low147 Ų147133.7 Ų133.777%0.7776%0.762SS**  165.2100.4120.2-89.8150.3000110.7
331T35.1Very low34.2Very low132 Ų132133.4 Ų133.481%0.8176%0.756SS**  69.2125.4101.359.90000117.7
332G35.6Very low34Very low65 Ų65132.7 Ų132.767%0.6776%0.757SS**  trans147.690.9147.700000116.1
333N33.3Very low33.8Very low168 Ų168135 Ų13590%0.89876%0.757SS**  42.9139128.8-61.51000119
334S30.4Very low34Very low104 Ų104135.1 Ų135.173%0.72775%0.753SS**  cis-179.1173.18.6-175.60000106.9
335L34.2Very low33.5Very low146 Ų146136.9 Ų136.976%0.76476%0.756SS**  trans84.693.6164.8-87106.8000120.6
336L29.1Very low33.4Very low168 Ų168138.8 Ų138.888%0.8876%0.758SS**  trans-31.5127133.8-74.2156000113.7
337I35.8Very low33.1Very low157 Ų157138.4 Ų138.481%0.80576%0.76SS**  trans-144.5126135.8-62-169.8000109.9
338H29.2Very low33Very low178 Ų178138.8 Ų138.882%0.82477%0.766SS**  trans-58.4130.4170.1-147.9-93.7000111.2
339S30.8Very low32.8Very low90 Ų90135.9 Ų135.963%0.62976%0.763SS**  trans-160.5128.9147.9-150.40000114.9H341S339-H341 PolarHBondContact OG-CD2 2.93Å; S339-H341 PolarHBondContact OG-NE2 3.26Å
340S28.3Very low32.6Very low93 Ų93139.7 Ų139.765%0.6577%0.773SS**  trans-82.9120.8174.246.70000111.9
341H32.4Very low32.8Very low156 Ų156140.6 Ų140.672%0.72278%0.777SS**  trans-148.9104.6165.5-61.6-74.4000108.2S339S339-H341 PolarHBondContact OG-CD2 2.93Å; S339-H341 PolarHBondContact OG-NE2 3.26Å
342V31.4Very low32.6Very low130 Ų130141.9 Ų141.979%0.78878%0.779SS**  54.5111.287.3-1760000112.2
343F28.5Very low32.7Very low179 Ų179143.9 Ų143.979%0.78578%0.783SS**  trans-75.5126176.5-95.3-96000110.7
344T35.7Very low32.7Very low112 Ų112143 Ų14369%0.68778%0.778SS**  trans-125.1128.3155.645.70000108.5
345N31.4Very low33Very low150 Ų150143.2 Ų143.280%0.80277%0.774SS**  trans-80.6112.3174.4-78.2-40.1000108.3
346D33.3Very low33Very low143 Ų143143.5 Ų143.577%0.76578%0.777SS**  trans-96.9123.6168.9-74.6-32000111.2
347I32.9Very low33Very low157 Ų157145.6 Ų145.681%0.80577%0.773SS**  trans-73.6122.2172.8-66.2166.9000107.3
348I35.9Very low33.2Very low164 Ų164146.3 Ų146.384%0.84178%0.777SS**  trans-102.8113.2172.5-64.2176.9000108.5
349S33.6Very low33.5Very low100 Ų100145.2 Ų145.270%0.69977%0.772SS**  trans-68.1140.6171.9-630000112.5
350E31Very low33.5Very low194 Ų194146.7 Ų146.791%0.90778%0.777SS**  trans-74138.6164.6-71.9175.8148.900110.6
351I41.2Very low33.7Very low166 Ų166151.2 Ų151.285%0.85179%0.785SS**  trans-123.2123.3160.7-65.7175.6000106.6
352D30Very low33.9Very low160 Ų160150 Ų15086%0.85679%0.789SS**  trans-116.5131.2-176.6-1508.2000107.8
353S39.1Very low33.9Very low107 Ų107147 Ų14775%0.74879%0.785SS**  trans-160.789.6164.565.30000112.3
354N31.4Very low34.2Very low150 Ų150146.3 Ų146.380%0.80279%0.789SS**  39.3153.2117.4-144.27.6000122.1
355V37Very low34Very low107 Ų107147.1 Ų147.165%0.64880%0.798SS**  trans89.2123.6164.1-164.70000113.7
356D35.2Very low34.2Very low153 Ų153145.2 Ų145.282%0.81880%0.797SS**  cis-156.7166.322-127.8-25.9000114
357R29.7Very low34.3Very low212 Ų212146 Ų14680%0.880%0.795SS**  trans-84.5149.6-176.4-176.4-176.1-167172.61.2112.2
358I40.1Very low34.6Very low172 Ų172149.9 Ų149.988%0.88280%0.8SS**  trans-173.9153.8142.2-91.3149.2000111
359E34.4Very low34.7Very low155 Ų155152.9 Ų152.972%0.72480%0.801SS**  trans-87.4152.9-149.1-78.3169.1130.800119.2
360T30.6Very low35.1Very low120 Ų120155.6 Ų155.674%0.73681%0.807SS**  trans37.1126.7136.271.10000121.8
361K33.8Very low35.4Very low188 Ų188151 Ų15182%0.81780%0.796SS**  -172.5121.9109.5-119.6178.3173171.90114
362T35.7Very low35.6Very low130 Ų130149.2 Ų149.280%0.79880%0.797SS**  trans44.3126.7135.256.40000122
363G32.3Very low36Very low69 Ų69150.2 Ų150.271%0.71180%0.797SS**  133.4107.4121.900000118.5
364N34.4Very low36.5Very low163 Ų163150.5 Ų150.587%0.87280%0.799SS**  trans79.199142.6-68.612.4000122.3
365C30.5Very low37.1Very low130 Ų130151 Ų15188%0.87880%0.801SS**  15.2123.7121.8-108.20000119.2
366S36.2Very low37.1Very low110 Ų110149.9 Ų149.977%0.76981%0.811SS**  -166.2126.6121.8-166.20000112.9
367H34.6Very low37.9Very low160 Ų160148 Ų14874%0.74181%0.811SS**  trans-0.9130.1153.5-74.7-89.9000119.7
368R39.8Very low38.2Very low238 Ų238147.2 Ų147.290%0.89882%0.816SS**  -153.3114127.8-107.3170.6-165.4-1603.1111.2
369R38.3Very low38.8Very low227 Ų227145.8 Ų145.886%0.85782%0.815SS**  trans-72.5130.4162.9-79175.1172.4166.4-1.8106.6
370D41.9Very low39.1Very low157 Ų157143.2 Ų143.284%0.8482%0.82SS**  trans-134.9139.9153.3-83.5-48.3000110.8
371S38.1Very low39.5Very low97 Ų97144.4 Ų144.468%0.67882%0.822SS**  trans-91.8132.4-163.5-172.40000109.7
372C44.3Very low40.4Very low129 Ų129142.3 Ų142.387%0.87282%0.818SS**  trans-130.897160.4-72.70000109.4
373Q38.5Very low40.6Very low181 Ų181142.3 Ų142.385%0.84681%0.813SS**  trans-60.5133.8152.3-76.9167.2-65.300108.3
374S50.7Low41.4Very low112 Ų112146.3 Ų146.378%0.78382%0.817SS**  trans-145.7134.4159.354.40000109.4
375D43.9Very low42.2Very low161 Ų161146.3 Ų146.386%0.86181%0.812SS**  trans-69.3142.8-162.8-70.4-52.4000114S377D375-S377 PolarHBondContact O-N 3.33Å
376G36.4Very low43.2Very low83 Ų83145.5 Ų145.586%0.85681%0.805SS**  trans-68.9123.9175.600000111.6
377S50.9Low43.6Very low115 Ų115146.4 Ų146.480%0.80481%0.806SS**  trans-110121.5158.134.40000108.2D375D375-S377 PolarHBondContact O-N 3.33Å
378Q37.8Very low44Very low195 Ų195145.4 Ų145.491%0.91180%0.804SS**  trans-76.6130.8176.7-67172.7-4.200109
379T50.8Low44Very low142 Ų142139.6 Ų139.687%0.87180%0.795SS**  trans-127.6119.4156.444.80000108.4
380A41.6Very low44.2Very low100 Ų100134.2 Ų134.283%0.82679%0.787SS**  trans-65.4128.6-177.600000110.7
381L39.5Very low44.1Very low146 Ų146133.9 Ų133.976%0.76479%0.785SS**  trans-82.6118.8168.5-162.1103000107.7
382I52.6Low43.9Very low143 Ų143138.3 Ų138.373%0.73380%0.795SS**  trans-84.2111.9167-64.1167.5000105.9L384I382-L384 HydrophobicContact CG2-CD1 3.85Å; I382-L384 HydrophobicContact CG2-CG 4.25Å
383D40.5Very low43.6Very low131 Ų131137.8 Ų137.870%0.70179%0.793SS**  trans-79.7119.4173-133.6-10.1000108.3
384L48.2Very low43.7Very low152 Ų152138.7 Ų138.780%0.79679%0.794SS**  trans-130.291.2170.2-85.3150000106.8I382I382-L384 HydrophobicContact CG2-CD1 3.85Å; I382-L384 HydrophobicContact CG2-CG 4.25Å
385E51.7Low43Very low163 Ų163139.8 Ų139.876%0.76280%0.797SS**  trans-68.5135.4167.7-70.7-177.3148.100110V387E385-V387 PolarHBondContact O-N 3.46Å
386P52Low42.5Very low114 Ų114137.2 Ų137.274%0.7479%0.791SS**  trans-75.5112.316528.9-29.5000109.6I388P386-I388 PolarHBondContact O-N 3.09Å; P386-I388 VanDerWaalsContact O-N 3.1Å
387V43.5Very low42.5Very low129 Ų129141.1 Ų141.178%0.78279%0.791SS**  trans-65104167.1177.70000108.6E385 V389E385-V387 PolarHBondContact O-N 3.46Å; V387-V389 HydrophobicContact CG1-CG2 3.86Å
388I42.3Very low41.6Very low139 Ų139143.6 Ų143.671%0.71379%0.79SS**  trans-93.3102.5166-53.2178.9000107.5P386 V390P386-I388 PolarHBondContact O-N 3.09Å; P386-I388 VanDerWaalsContact O-N 3.1Å; I388-V390 HydrophobicContact CG2-CG2 3.71Å; I388-V390 PolarHBondContact O-N 3.37Å
389V41.7Very low41.4Very low115 Ų115139.9 Ų139.970%0.69778%0.783SS**  trans-76.2104.3167.2179.40000108V387V387-V389 HydrophobicContact CG1-CG2 3.86Å
390V42.6Very low40.4Very low115 Ų115137.9 Ų137.970%0.69778%0.775SS**  trans-105.9104.6165.4-178.60000108.3I388 Q392I388-V390 HydrophobicContact CG2-CG2 3.71Å; I388-V390 PolarHBondContact O-N 3.37Å; V390-Q392 PolarHBondContact O-N 3.48Å
391N39.2Very low40Very low149 Ų149144.8 Ų144.880%0.79778%0.78SS**  trans-70.5123.7166.3-92-18000109.4
392Q34.5Very low39.7Very low191 Ų191146.5 Ų146.589%0.89378%0.784SS**  trans-75.3125.8176-65176.4-700110.7V390V390-Q392 PolarHBondContact O-N 3.48Å
393S37.4Very low39Very low118 Ų118147.3 Ų147.383%0.82579%0.788SS**  trans-142.2115.4149.255.50000110.4
394K39.1Very low38.6Very low199 Ų199150.2 Ų150.287%0.86579%0.794SS**  trans-27.6133.2171.2-64.1164.5176.91750115.7
395T36Very low38Very low136 Ų136151.1 Ų151.183%0.83480%0.799SS**  163.8108.5117.641.40000107.9
396S34.6Very low37.2Very low106 Ų106150 Ų15074%0.74180%0.798SS**  79.7122.2100.5-165.50000114.5
397L36.6Very low36.4Very low165 Ų165153.6 Ų153.686%0.86481%0.805SS**  trans85100.8163.8-64.2150.6000118.3
398Q31.1Very low35.9Very low167 Ų167152.4 Ų152.478%0.7880%0.803SS**  trans-65.5153.4157.9-139-172.71.400109.7
399P34Very low35.4Very low118 Ų118156.2 Ų156.277%0.76681%0.81SS**  -143.9150.893.534-17.3000114.9R401P399-R401 PolarHBondContact O-N 3.03Å
400S29.8Very low34.9Very low100 Ų100158.5 Ų158.570%0.69982%0.818SS**  trans-34.3128.5166.5-68.30000114.3
401R34.2Very low34.6Very low244 Ų244160.1 Ų160.192%0.92182%0.821SS**  trans-112.9107.8156.1-81.1-174.8171.1169.2-1.9109.4P399P399-R401 PolarHBondContact O-N 3.03Å
402Q33.1Very low34.5Very low183 Ų183161.5 Ų161.586%0.85582%0.823SS**  trans-57.7132158.9-73.3-164.3-1.600109.4K404Q402-K404 PolarHBondContact O-N 3.48Å
403I36.2Very low34.7Very low159 Ų159157.6 Ų157.682%0.81581%0.814SS**  trans-77.4106.9166.7-64.1171.1000106.7L405I403-L405 PolarHBondContact O-N 3.43Å
404K32.4Very low34.7Very low193 Ų193158.7 Ų158.784%0.83981%0.811SS**  trans-68.1105.9163.6-95.4178.2171.8179.50107.9Q402Q402-K404 PolarHBondContact O-N 3.48Å
405L37.1Very low34.5Very low170 Ų170155 Ų15589%0.8981%0.805SS**  trans-83.4102.6154.2-88.7160.6000106.7I403I403-L405 PolarHBondContact O-N 3.43Å
406N33.1Very low34.7Very low140 Ų140156.8 Ų156.875%0.74980%0.801SS**  trans-118.393.2169-168.151.3000106.8
407E36.3Very low34.9Very low189 Ų189159.8 Ų159.888%0.88381%0.809SS**  trans-158.8121.3145.9-115.3172.3-167.800109.8
408S32.2Very low34.8Very low105 Ų105160.4 Ų160.473%0.73481%0.812SS**  trans-75.5120.7-167.2-59.30000111.8
409Y33Very low35.2Very low219 Ų219158.9 Ų158.986%0.85982%0.815SS**  trans-109107.9148.9-98.4-90.1000108.4I411Y409-I411 PolarHBondContact O-N 2.93Å; Y409-I411 VanDerWaalsContact O-N 3.16Å
410N29.8Very low35.5Very low163 Ų163164.5 Ų164.587%0.87282%0.82SS**  trans-63.2106.4171.3-108.8-41.5000108.9
411I38Very low35.9Very low148 Ų148169.9 Ų169.976%0.75983%0.831SS**  trans-128.4103.4159.1-57.7179.8000106.6Y409 P413Y409-I411 PolarHBondContact O-N 2.93Å; Y409-I411 VanDerWaalsContact O-N 3.16Å; I411-P413 WeakPolarHBondContact O-CD 3.39Å
412Q35.6Very low36.1Very low178 Ų178166.3 Ų166.383%0.83283%0.831SS**  trans-61.3117.1177.1-169.5177.72000109.7D414Q412-D414 PolarHBondContact O-N 3.31Å
413P39.4Very low36.3Very low109 Ų109167 Ų16771%0.70883%0.831SS**  trans-81.9112.817330.3-27.5000108.6I411 T415I411-P413 WeakPolarHBondContact O-CD 3.39Å; P413-T415 PolarHBondContact O-N 3.32Å
414D36.5Very low36.3Very low142 Ų142162.8 Ų162.876%0.75983%0.827SS**  trans-63.4116.1175.1-154.1-6.7000109.4Q412 K416Q412-D414 PolarHBondContact O-N 3.31Å; D414-K416 PolarHBondContact O-N 3.25Å
415T35.6Very low36.6Very low121 Ų121162.8 Ų162.874%0.74283%0.832SS**SBendtrans-75.989.7-174.448.20000109.6P413P413-T415 PolarHBondContact O-N 3.32Å
416K40.1Very low37Very low173 Ų173161.5 Ų161.575%0.75282%0.821SS**  trans-172.682.1168.2-106.6163.3-100.3176.90109.6D414D414-K416 PolarHBondContact O-N 3.25Å
417N38.5Very low37.6Very low170 Ų170161.8 Ų161.891%0.90982%0.823SS**  trans16323.7156-85.5-36000114.5T419N417-T419 PolarHBondContact O-N 3.4Å
418L35Very low38Very low177 Ų177161.7 Ų161.793%0.92782%0.822SS**  trans-93.760.4175.7-157.474.7000111.4
419T40.5Very low38.4Very low136 Ų136160.4 Ų160.483%0.83483%0.826SS**  trans-15048.8174.4-23.20000112.9N417N417-T419 PolarHBondContact O-N 3.4Å
420R39.3Very low39.2Very low236 Ų236156 Ų15689%0.89182%0.821SS**SBendtrans-167.881.8166.9-110.5-178-152179.76.9109.2
421F39Very low39.5Very low212 Ų212155.9 Ų155.993%0.9382%0.821SS**  trans172.960.5155.9-95.9-68.8000108
422N37.8Very low39.6Very low169 Ų169158.4 Ų158.490%0.90485%0.85SS**  trans-147.675.7168.9-103.6-40000107.5
423K38.1Very low39.8Very low199 Ų199157.5 Ų157.587%0.86585%0.85SS**  trans-164.5108.4167.2-142.2166.2-176.3173.80108.3
424G35.6Very low39.8Very low70 Ų70160 Ų16072%0.72286%0.858SS**  trans145.922.4175.800000117
425M38.4Very low40Very low192 Ų192161 Ų16195%0.94686%0.863SS**  trans-136.180.7166.1-79.7-173.464.300109.1
426E45.4Very low40.3Very low144 Ų144163.4 Ų163.467%0.67387%0.871SS**  trans-136.3120.8167.249.2-169.2138.100108.8
427N45.1Very low40.3Very low146 Ų146162.8 Ų162.878%0.78188%0.878SS**  trans73.1103.4151.9-47.7-33.4000118.1
428E45Very low40.4Very low186 Ų186162.3 Ų162.387%0.86988%0.876SS**  -172.5118.8104.7-96.8-160.7170.300110.1
429G40.7Very low40.8Very low79 Ų79161.2 Ų161.281%0.81487%0.872SS**  trans-79.7135.4167.700000110.4
430V49.3Very low40.8Very low125 Ų125163.2 Ų163.276%0.75888%0.875SS**  trans-142.6116.5155.5-177.20000107.9
431N36.5Very low41Very low161 Ų161157.1 Ų157.186%0.86187%0.874SS**  trans-46.6132.1164.9-103.2-20.6000112.1
432C40.7Very low41.1Very low202 Ų202152.1 Ų152.1100%1.36587%0.869SS**  trans-149.40151.5-82.90000108.2

Retrieved 432 of 432 residues in 150.9 ms (Link to these results)

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