A0A087XAC2_POEFO Loading...

Transmembrane protein 266

AlphaFold DB , UniProt , Accession A0A087XAC2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 429 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M49.2Very low67.8Low238 Ų238107 Ų107100%1.17262%0.616SS**  01250-78.6-163.8169.200108
2P52.3Low68.5Low94 Ų94103.3 Ų103.361%0.6160%0.601SS**  trans-87.5154.9-164.624.2-13.8000113V4P2-V4 HydrophobicContact CB-CG1 4.49Å; P2-V4 HydrophobicContact CB-CG2 4.24Å; P2-V4 HydrophobicContact CG-CG2 3.94Å; P2-V4 PolarHBondContact O-N 3.46Å
3P58.7Low69.7Low109 Ų109102.2 Ų102.271%0.70859%0.59SS**  trans-82.538.5179.736.6-36.2000112.6N5P3-N5 PolarHBondContact O-N 3.08Å
4V60.6Low70.4Confident91 Ų91102.4 Ų102.455%0.55259%0.587SS**Hα-helixtrans-70.6-19.1-176.7-87.30000113.3P2 N6 S8P2-V4 HydrophobicContact CB-CG1 4.49Å; P2-V4 HydrophobicContact CB-CG2 4.24Å; P2-V4 HydrophobicContact CG-CG2 3.94Å; P2-V4 PolarHBondContact O-N 3.46Å; V4-N6 PolarHBondContact O-N 3.34Å; V4-S8 PolarHBondContact O-OG 3.36Å
5N68.1Low70.7Confident107 Ų107103.9 Ų103.957%0.57259%0.586SS**Hα-helixtrans-74.1-25.9-174.7-61.5-5.2000113.3P3 S8 Q9P3-N5 PolarHBondContact O-N 3.08Å; N5-S8 PolarHBondContact O-OG 3.44Å; N5-Q9 VanDerWaalsContact O-CG 3.23Å; N5-Q9 WeakPolarHBondContact O-CG 3.38Å; N5-Q9 PolarHBondContact O-NE2 3.36Å
6N72.4Confident71.2Confident96 Ų96108.2 Ų108.251%0.51359%0.59SS.*Hα-helixtrans-81.6-44.6-176-62.5-24.9000110.7V4 S8 Q9 F10V4-N6 PolarHBondContact O-N 3.34Å; N6-S8 PolarHBondContact O-N 3.29Å; N6-Q9 PolarHBondContact O-N 3.27Å; N6-F10 HydrophobicContact CB-CE2 4.33Å; N6-F10 WeakPolarHBondContact O-CD2 3.32Å; N6-F10 PolarHBondContact O-N 2.89Å
7A74.8Confident71.6Confident70 Ų70107.2 Ų107.258%0.57958%0.583SS**Hα-helixtrans-63.2-39.7-178.600000112.9F10 A11A7-F10 PolarHBondContact O-N 3.47Å; A7-A11 WeakPolarHBondContact O-CB 3.4Å; A7-A11 PolarHBondContact O-N 2.99Å
8S75.2Confident71.6Confident67 Ų67105 Ų10547%0.46958%0.577SS.*Hα-helixtrans-69.6-32.5177.557.30000113.1V4 N5 N6 S12V4-S8 PolarHBondContact O-OG 3.36Å; N5-S8 PolarHBondContact O-OG 3.44Å; N6-S8 PolarHBondContact O-N 3.29Å; S8-S12 WeakPolarHBondContact O-CB 3.33Å; S8-S12 PolarHBondContact O-N 2.8Å; S8-S12 PolarHBondContact O-OG 3.22Å
9Q80.1Confident71.5Confident111 Ų111103.7 Ų103.752%0.51957%0.569SS.*Hα-helixtrans-68.9-45.9173.5-75.7178.657.300111.6N5 N6 A11 S12 I13N5-Q9 VanDerWaalsContact O-CG 3.23Å; N5-Q9 WeakPolarHBondContact O-CG 3.38Å; N5-Q9 PolarHBondContact O-NE2 3.36Å; N6-Q9 PolarHBondContact O-N 3.27Å; Q9-A11 VanDerWaalsContact C-N 3.34Å; Q9-A11 PolarHBondContact O-N 3.02Å; Q9-S12 PolarHBondContact O-N 3.36Å; Q9-I13 WeakPolarHBondContact O-CD1 3.49Å; Q9-I13 WeakPolarHBondContact O-CG1 3.31Å; Q9-I13 PolarHBondContact O-N 3.43Å
10F77Confident71.6Confident133 Ų133101.1 Ų101.158%0.58356%0.561SS**Hα-helixtrans-60.6-43.1175.7-75.4-66.8000112N6 A7 S12 I13 I14N6-F10 HydrophobicContact CB-CE2 4.33Å; N6-F10 WeakPolarHBondContact O-CD2 3.32Å; N6-F10 PolarHBondContact O-N 2.89Å; A7-F10 PolarHBondContact O-N 3.47Å; F10-S12 VanDerWaalsContact C-N 3.33Å; F10-S12 PolarHBondContact O-N 3.48Å; F10-I13 PolarHBondContact O-N 3.11Å; F10-I14 WeakPolarHBondContact O-CB 3.43Å; F10-I14 WeakPolarHBondContact O-CD1 3.45Å; F10-I14 VanDerWaalsContact O-CG1 3.25Å; F10-I14 WeakPolarHBondContact O-CG1 3.42Å; F10-I14 PolarHBondContact O-N 2.99Å
11A78Confident71.6Confident61 Ų61100.4 Ų100.450%0.50456%0.556SS.*Hα-helixtrans-60.8-41.9175.500000112.1A7 Q9 H15A7-A11 WeakPolarHBondContact O-CB 3.4Å; A7-A11 PolarHBondContact O-N 2.99Å; Q9-A11 VanDerWaalsContact C-N 3.34Å; Q9-A11 PolarHBondContact O-N 3.02Å; A11-H15 WeakPolarHBondContact O-CB 3.27Å; A11-H15 PolarHBondContact O-N 3.31Å
12S75.7Confident72.6Confident62 Ų6291.1 Ų91.143%0.43451%0.511SS..Hα-helixtrans-65.4-44.4177.4-59.70000111.8S8 Q9 F10 H15 W16S8-S12 WeakPolarHBondContact O-CB 3.33Å; S8-S12 PolarHBondContact O-N 2.8Å; S8-S12 PolarHBondContact O-OG 3.22Å; Q9-S12 PolarHBondContact O-N 3.36Å; F10-S12 VanDerWaalsContact C-N 3.33Å; F10-S12 PolarHBondContact O-N 3.48Å; S12-H15 WeakPolarHBondContact O-CB 3.4Å; S12-H15 PolarHBondContact O-N 3.46Å; S12-W16 PolarHBondContact O-N 3.12Å
13I83.6Confident73.4Confident89 Ų8989.5 Ų89.546%0.45650%0.502SS..Hα-helixtrans-63.4-45.1179.9-67.1162000110.8Q9 F10 H15 W16 I17Q9-I13 WeakPolarHBondContact O-CD1 3.49Å; Q9-I13 WeakPolarHBondContact O-CG1 3.31Å; Q9-I13 PolarHBondContact O-N 3.43Å; F10-I13 PolarHBondContact O-N 3.11Å; I13-H15 VanDerWaalsContact C-N 3.26Å; I13-H15 PolarHBondContact O-N 3.02Å; I13-W16 PolarHBondContact O-N 3.32Å; I13-I17 HydrophobicContact CG2-CD1 3.64Å; I13-I17 HydrophobicContact CG2-CG1 4.4Å; I13-I17 WeakPolarHBondContact O-CB 3.25Å; I13-I17 VanDerWaalsContact O-CG1 3.27Å; I13-I17 WeakPolarHBondContact O-CG1 3.5Å; I13-I17 PolarHBondContact O-N 3.09Å
14I79.8Confident74Confident106 Ų10688.7 Ų88.754%0.54450%0.495SS..Hα-helixtrans-63.1-36.9177.3-67.3166.1000110.7F10 S18F10-I14 WeakPolarHBondContact O-CB 3.43Å; F10-I14 WeakPolarHBondContact O-CD1 3.45Å; F10-I14 VanDerWaalsContact O-CG1 3.25Å; F10-I14 WeakPolarHBondContact O-CG1 3.42Å; F10-I14 PolarHBondContact O-N 2.99Å; I14-S18 WeakPolarHBondContact O-CB 3.42Å; I14-S18 PolarHBondContact O-N 2.85Å; I14-S18 PolarHBondContact O-OG 3.48Å
15H75.2Confident74.3Confident125 Ų12589 Ų8958%0.57949%0.489SS*.Hα-helixtrans-64.1-46.6175.9-169.266.7000111.8A11 S12 I13 S18 L19A11-H15 WeakPolarHBondContact O-CB 3.27Å; A11-H15 PolarHBondContact O-N 3.31Å; S12-H15 WeakPolarHBondContact O-CB 3.4Å; S12-H15 PolarHBondContact O-N 3.46Å; I13-H15 VanDerWaalsContact C-N 3.26Å; I13-H15 PolarHBondContact O-N 3.02Å; H15-S18 PolarHBondContact O-N 3.47Å; H15-L19 WeakPolarHBondContact O-CB 3.44Å; H15-L19 PolarHBondContact O-N 3.26Å
16W78.2Confident74.3Confident172 Ų17287.1 Ų87.165%0.65248%0.476SS*.Hα-helixtrans-65.6-38.4177.3-75.2111.5000113.3S12 I13 L19 A20S12-W16 PolarHBondContact O-N 3.12Å; I13-W16 PolarHBondContact O-N 3.32Å; W16-L19 PolarHBondContact O-N 3.34Å; W16-A20 VanDerWaalsContact O-CB 3.32Å; W16-A20 WeakPolarHBondContact O-CB 3.48Å; W16-A20 PolarHBondContact O-N 3.43Å
17I77.8Confident73.8Confident92 Ų9286.2 Ų86.247%0.47247%0.473SS..Hα-helixtrans-66.6-43.5176.3-69.3167.8000110.5I13 L19 A20 I21I13-I17 HydrophobicContact CG2-CD1 3.64Å; I13-I17 HydrophobicContact CG2-CG1 4.4Å; I13-I17 WeakPolarHBondContact O-CB 3.25Å; I13-I17 VanDerWaalsContact O-CG1 3.27Å; I13-I17 WeakPolarHBondContact O-CG1 3.5Å; I13-I17 PolarHBondContact O-N 3.09Å; I17-L19 VanDerWaalsContact C-N 3.3Å; I17-L19 PolarHBondContact O-N 2.85Å; I17-A20 PolarHBondContact O-N 3.31Å; I17-I21 HydrophobicContact CG2-CD1 3.72Å; I17-I21 HydrophobicContact CG2-CG1 4.46Å; I17-I21 VanDerWaalsContact O-CG1 3.28Å; I17-I21 WeakPolarHBondContact O-CG1 3.44Å; I17-I21 PolarHBondContact O-N 3.45Å
18S71.6Confident73.6Confident67 Ų6786.8 Ų86.847%0.46946%0.464SS..Hα-helixtrans-63-39.1176.7-59.10000111.6I14 H15 L22I14-S18 WeakPolarHBondContact O-CB 3.42Å; I14-S18 PolarHBondContact O-N 2.85Å; I14-S18 PolarHBondContact O-OG 3.48Å; H15-S18 PolarHBondContact O-N 3.47Å; S18-L22 VanDerWaalsContact O-CB 3.29Å; S18-L22 WeakPolarHBondContact O-CB 3.27Å; S18-L22 PolarHBondContact O-N 2.97Å
19L71.3Confident73.1Confident80 Ų8085.3 Ų85.342%0.41945%0.453SS..Hα-helixtrans-67.5-41.6175.5-170.7150.1000111.9H15 W16 I17 L22 S23H15-L19 WeakPolarHBondContact O-CB 3.44Å; H15-L19 PolarHBondContact O-N 3.26Å; W16-L19 PolarHBondContact O-N 3.34Å; I17-L19 VanDerWaalsContact C-N 3.3Å; I17-L19 PolarHBondContact O-N 2.85Å; L19-L22 PolarHBondContact O-N 2.93Å; L19-S23 WeakPolarHBondContact O-CB 3.47Å; L19-S23 PolarHBondContact O-N 3.42Å
20A72.7Confident72.5Confident51 Ų5182.8 Ų82.842%0.42145%0.445SS..Hα-helixtrans-63.5-46.3177.200000111.8W16 I17 L22 S23 V24W16-A20 VanDerWaalsContact O-CB 3.32Å; W16-A20 WeakPolarHBondContact O-CB 3.48Å; W16-A20 PolarHBondContact O-N 3.43Å; I17-A20 PolarHBondContact O-N 3.31Å; A20-L22 VanDerWaalsContact C-N 3.33Å; A20-L22 PolarHBondContact O-N 3.29Å; A20-S23 WeakPolarHBondContact O-CB 3.41Å; A20-S23 PolarHBondContact O-N 2.9Å; A20-V24 WeakPolarHBondContact O-CG2 3.36Å; A20-V24 PolarHBondContact O-N 2.91Å
21I71.1Confident71.9Confident88 Ų8883.2 Ų83.245%0.45145%0.446SS..Hα-helixtrans-63.3-41.7177.1-66.3165.9000110.4I17 S23 V24 F25I17-I21 HydrophobicContact CG2-CD1 3.72Å; I17-I21 HydrophobicContact CG2-CG1 4.46Å; I17-I21 VanDerWaalsContact O-CG1 3.28Å; I17-I21 WeakPolarHBondContact O-CG1 3.44Å; I17-I21 PolarHBondContact O-N 3.45Å; I21-S23 VanDerWaalsContact C-N 3.34Å; I21-S23 PolarHBondContact O-N 3.25Å; I21-V24 PolarHBondContact O-N 3.48Å; I21-F25 HydrophobicContact CG2-CD2 3.68Å; I21-F25 HydrophobicContact CG2-CE2 3.6Å; I21-F25 WeakPolarHBondContact O-CD2 3.46Å; I21-F25 PolarHBondContact O-N 3.01Å
22L71.7Confident71.2Confident43 Ų4387.3 Ų87.323%0.22545%0.449CS..Hα-helixtrans-62.3-40175.4-173.963.3000112.2S18 L19 A20 F25 F26S18-L22 VanDerWaalsContact O-CB 3.29Å; S18-L22 WeakPolarHBondContact O-CB 3.27Å; S18-L22 PolarHBondContact O-N 2.97Å; L19-L22 PolarHBondContact O-N 2.93Å; A20-L22 VanDerWaalsContact C-N 3.33Å; A20-L22 PolarHBondContact O-N 3.29Å; L22-F25 PolarHBondContact O-N 3.11Å; L22-F26 VanDerWaalsContact O-CB 3.26Å; L22-F26 WeakPolarHBondContact O-CB 3.33Å; L22-F26 PolarHBondContact O-N 3.44Å
23S67.9Low70.7Confident60 Ų6086.5 Ų86.542%0.4244%0.439SS..Hα-helixtrans-65.6-41.4177-176.80000112.6L19 A20 I21 F26 T27L19-S23 WeakPolarHBondContact O-CB 3.47Å; L19-S23 PolarHBondContact O-N 3.42Å; A20-S23 WeakPolarHBondContact O-CB 3.41Å; A20-S23 PolarHBondContact O-N 2.9Å; I21-S23 VanDerWaalsContact C-N 3.34Å; I21-S23 PolarHBondContact O-N 3.25Å; S23-F26 PolarHBondContact O-N 2.92Å; S23-T27 WeakPolarHBondContact O-CG2 3.32Å; S23-T27 PolarHBondContact O-N 3Å; S23-T27 PolarHBondContact O-OG1 3.33Å
24V71.6Confident69.7Low92 Ų9285.3 Ų85.356%0.55844%0.436SS*.Hα-helixtrans-65.7-46.4176.6174.40000110.4A20 I21 F26 T27 E28A20-V24 WeakPolarHBondContact O-CG2 3.36Å; A20-V24 PolarHBondContact O-N 2.91Å; I21-V24 PolarHBondContact O-N 3.48Å; V24-F26 VanDerWaalsContact C-N 3.27Å; V24-F26 PolarHBondContact O-N 3.12Å; V24-T27 WeakPolarHBondContact CA-OG1 3.44Å; V24-T27 PolarHBondContact O-N 3.28Å; V24-T27 PolarHBondContact O-OG1 2.95Å; V24-E28 WeakPolarHBondContact O-CB 3.22Å; V24-E28 PolarHBondContact O-N 3.46Å
25F66.8Low68.9Low97 Ų9783.8 Ų83.843%0.42543%0.431SS..Hα-helixtrans-62.1-35.5174.5-83.3-62.5000112.8I21 L22 T29I21-F25 HydrophobicContact CG2-CD2 3.68Å; I21-F25 HydrophobicContact CG2-CE2 3.6Å; I21-F25 WeakPolarHBondContact O-CD2 3.46Å; I21-F25 PolarHBondContact O-N 3.01Å; L22-F25 PolarHBondContact O-N 3.11Å; F25-T29 VanDerWaalsContact O-CB 3.26Å; F25-T29 WeakPolarHBondContact O-CB 3.43Å; F25-T29 PolarHBondContact O-N 3.23Å; F25-T29 PolarHBondContact O-OG1 3.47Å
26F66.9Low68.1Low68 Ų6884.1 Ų84.130%0.29844%0.437SS..Hα-helixtrans-65.6-51.3176.2172.2-119.9000111.6L22 S23 V24 E28 T29 V30 L58 M61L22-F26 VanDerWaalsContact O-CB 3.26Å; L22-F26 WeakPolarHBondContact O-CB 3.33Å; L22-F26 PolarHBondContact O-N 3.44Å; S23-F26 PolarHBondContact O-N 2.92Å; V24-F26 VanDerWaalsContact C-N 3.27Å; V24-F26 PolarHBondContact O-N 3.12Å; F26-E28 PolarHBondContact O-N 2.97Å; F26-T29 PolarHBondContact O-N 2.89Å; F26-V30 HydrophobicContact CD2-CG2 3.69Å; F26-V30 HydrophobicContact CE1-CG2 4.36Å; F26-V30 HydrophobicContact CE2-CG2 3.31Å; F26-V30 HydrophobicContact CG-CG2 4.4Å; F26-V30 HydrophobicContact CZ-CG2 3.71Å; F26-V30 WeakPolarHBondContact O-CB 3.34Å; F26-V30 VanDerWaalsContact O-CG2 3.3Å; F26-V30 WeakPolarHBondContact O-CG2 3.42Å; F26-V30 PolarHBondContact O-N 3.33Å; F26-L58 HydrophobicContact CE2-CD1 3.87Å; F26-L58 HydrophobicContact CZ-CD1 4.04Å; F26-M61 HydrophobicContact CB-SD 3.99Å; F26-M61 HydrophobicContact CD2-CE 3.11Å; F26-M61 HydrophobicContact CD2-SD 3.23Å; F26-M61 WeakPolarHBondContact CD2-SD 3.46Å; F26-M61 HydrophobicContact CE2-CE 3.17Å; F26-M61 HydrophobicContact CE2-SD 3.89Å; F26-M61 HydrophobicContact CG-CE 4.24Å; F26-M61 HydrophobicContact CG-SD 3.84Å; F26-M61 HydrophobicContact CZ-CE 4.34Å
27T62.5Low67.2Low76 Ų7676.7 Ų76.747%0.46641%0.414SS..Hα-helixtrans-63.1-40.1179.449.60000112S23 V24 F31S23-T27 WeakPolarHBondContact O-CG2 3.32Å; S23-T27 PolarHBondContact O-N 3Å; S23-T27 PolarHBondContact O-OG1 3.33Å; V24-T27 WeakPolarHBondContact CA-OG1 3.44Å; V24-T27 PolarHBondContact O-N 3.28Å; V24-T27 PolarHBondContact O-OG1 2.95Å; T27-F31 WeakPolarHBondContact O-CB 3.44Å; T27-F31 PolarHBondContact O-N 2.92Å
28E70.5Confident66.2Low82 Ų8277 Ų7738%0.38342%0.415SS..Hα-helixtrans-62.6-45.2173.3-172.6-172.7166.300111.7V24 F26 F31 R32V24-E28 WeakPolarHBondContact O-CB 3.22Å; V24-E28 PolarHBondContact O-N 3.46Å; F26-E28 PolarHBondContact O-N 2.97Å; E28-F31 PolarHBondContact O-N 3.41Å; E28-R32 WeakPolarHBondContact O-CB 3.43Å; E28-R32 WeakPolarHBondContact O-CG 3.41Å; E28-R32 PolarHBondContact O-N 3.5Å; E28-R32 IonicContact OE1-CZ 3.44Å; E28-R32 IonicContact OE1-NE 3.21Å; E28-R32 PolarHBondContact OE1-NE 3.25Å; E28-R32 IonicContact OE1-NH2 2.93Å; E28-R32 PolarHBondContact OE1-NH2 3.46Å
29T65.8Low65.4Low37 Ų3784.7 Ų84.723%0.22743%0.434CS..Hα-helixtrans-65.7-44.8-179.6-58.10000111.2F25 F26 R32 I33F25-T29 VanDerWaalsContact O-CB 3.26Å; F25-T29 WeakPolarHBondContact O-CB 3.43Å; F25-T29 PolarHBondContact O-N 3.23Å; F25-T29 PolarHBondContact O-OG1 3.47Å; F26-T29 PolarHBondContact O-N 2.89Å; T29-R32 PolarHBondContact O-N 3.37Å; T29-I33 HydrophobicContact CG2-CD1 3.66Å; T29-I33 HydrophobicContact CG2-CG1 4.5Å; T29-I33 WeakPolarHBondContact O-CB 3.27Å; T29-I33 WeakPolarHBondContact O-CD1 3.4Å; T29-I33 WeakPolarHBondContact O-CG1 3.47Å; T29-I33 PolarHBondContact O-N 3.3Å
30V67.8Low64.7Low58 Ų5886.9 Ų86.935%0.35245%0.446SS..Hα-helixtrans-63.1-44.3175.8171.80000110.3F26 R32 I33 V34F26-V30 HydrophobicContact CD2-CG2 3.69Å; F26-V30 HydrophobicContact CE1-CG2 4.36Å; F26-V30 HydrophobicContact CE2-CG2 3.31Å; F26-V30 HydrophobicContact CG-CG2 4.4Å; F26-V30 HydrophobicContact CZ-CG2 3.71Å; F26-V30 WeakPolarHBondContact O-CB 3.34Å; F26-V30 VanDerWaalsContact O-CG2 3.3Å; F26-V30 WeakPolarHBondContact O-CG2 3.42Å; F26-V30 PolarHBondContact O-N 3.33Å; V30-R32 PolarHBondContact O-N 3.09Å; V30-I33 PolarHBondContact O-N 2.91Å; V30-V34 HydrophobicContact CG1-CG2 3.89Å; V30-V34 VanDerWaalsContact O-CB 3.25Å; V30-V34 WeakPolarHBondContact O-CB 3.49Å; V30-V34 WeakPolarHBondContact O-CG2 3.3Å; V30-V34 PolarHBondContact O-N 2.93Å
31F64.2Low63.7Low141 Ų14189 Ų8962%0.61844%0.444SS*.Hα-helixtrans-62.9-42.6178.4-172.7-99.5000112T27 E28 I33 V34 V35T27-F31 WeakPolarHBondContact O-CB 3.44Å; T27-F31 PolarHBondContact O-N 2.92Å; E28-F31 PolarHBondContact O-N 3.41Å; F31-I33 PolarHBondContact O-N 2.99Å; F31-V34 PolarHBondContact O-N 3.48Å; F31-V35 HydrophobicContact CD1-CG2 4.07Å; F31-V35 HydrophobicContact CD2-CG2 4.27Å; F31-V35 HydrophobicContact CE1-CG2 3.79Å; F31-V35 HydrophobicContact CE2-CG2 4Å; F31-V35 HydrophobicContact CG-CG2 4.31Å; F31-V35 HydrophobicContact CZ-CG2 3.75Å; F31-V35 VanDerWaalsContact O-CB 3.27Å; F31-V35 WeakPolarHBondContact O-CB 3.26Å; F31-V35 WeakPolarHBondContact O-CG2 3.4Å; F31-V35 PolarHBondContact O-N 2.9Å
32R63.8Low62.9Low147 Ų14792.6 Ų92.656%0.55546%0.462SS*.Hα-helixtrans-62.9-41.7174.7-75.5179.8-175.2-112.26.3112.3E28 T29 V30 L36E28-R32 WeakPolarHBondContact O-CB 3.43Å; E28-R32 WeakPolarHBondContact O-CG 3.41Å; E28-R32 PolarHBondContact O-N 3.5Å; E28-R32 IonicContact OE1-CZ 3.44Å; E28-R32 IonicContact OE1-NE 3.21Å; E28-R32 PolarHBondContact OE1-NE 3.25Å; E28-R32 IonicContact OE1-NH2 2.93Å; E28-R32 PolarHBondContact OE1-NH2 3.46Å; T29-R32 PolarHBondContact O-N 3.37Å; V30-R32 PolarHBondContact O-N 3.09Å; R32-L36 WeakPolarHBondContact O-CB 3.26Å; R32-L36 WeakPolarHBondContact O-CG 3.44Å; R32-L36 PolarHBondContact O-N 2.84Å
33I64.1Low62.2Low46 Ų4699.3 Ų99.324%0.23649%0.493CS..Hα-helixtrans-68.2-40.3176.8-68162.7000111.2T29 V30 F31 G37 I54T29-I33 HydrophobicContact CG2-CD1 3.66Å; T29-I33 HydrophobicContact CG2-CG1 4.5Å; T29-I33 WeakPolarHBondContact O-CB 3.27Å; T29-I33 WeakPolarHBondContact O-CD1 3.4Å; T29-I33 WeakPolarHBondContact O-CG1 3.47Å; T29-I33 PolarHBondContact O-N 3.3Å; V30-I33 PolarHBondContact O-N 2.91Å; F31-I33 PolarHBondContact O-N 2.99Å; I33-G37 WeakPolarHBondContact O-CA 3.35Å; I33-G37 PolarHBondContact O-N 3.34Å; I33-I54 HydrophobicContact CD1-CG1 4.27Å; I33-I54 HydrophobicContact CG2-CD1 3.52Å; I33-I54 HydrophobicContact CG2-CG1 3.99Å
34V61.8Low61.7Low64 Ų64101.4 Ų101.439%0.38850%0.499SS..Hα-helixtrans-66.3-43.2178.2164.40000110.2V30 F31 I38V30-V34 HydrophobicContact CG1-CG2 3.89Å; V30-V34 VanDerWaalsContact O-CB 3.25Å; V30-V34 WeakPolarHBondContact O-CB 3.49Å; V30-V34 WeakPolarHBondContact O-CG2 3.3Å; V30-V34 PolarHBondContact O-N 2.93Å; F31-V34 PolarHBondContact O-N 3.48Å; V34-I38 HydrophobicContact CB-CD1 3.75Å; V34-I38 HydrophobicContact CG1-CD1 3.46Å; V34-I38 VanDerWaalsContact CG1-CD1 3.46Å; V34-I38 HydrophobicContact CG2-CD1 3.88Å; V34-I38 VanDerWaalsContact O-CB 3.31Å; V34-I38 WeakPolarHBondContact O-CB 3.22Å; V34-I38 WeakPolarHBondContact O-CD1 3.33Å; V34-I38 WeakPolarHBondContact O-CG1 3.26Å; V34-I38 PolarHBondContact O-N 3.15Å
35V63.6Low60.7Low73 Ų73106.1 Ų106.144%0.44251%0.512SS..Hα-helixtrans-76.2-39.4-176.9172.20000112.4F31F31-V35 HydrophobicContact CD1-CG2 4.07Å; F31-V35 HydrophobicContact CD2-CG2 4.27Å; F31-V35 HydrophobicContact CE1-CG2 3.79Å; F31-V35 HydrophobicContact CE2-CG2 4Å; F31-V35 HydrophobicContact CG-CG2 4.31Å; F31-V35 HydrophobicContact CZ-CG2 3.75Å; F31-V35 VanDerWaalsContact O-CB 3.27Å; F31-V35 WeakPolarHBondContact O-CB 3.26Å; F31-V35 WeakPolarHBondContact O-CG2 3.4Å; F31-V35 PolarHBondContact O-N 2.9Å
36L58.6Low60.1Low133 Ų133106.3 Ų106.370%0.69652%0.521SS*.Hα-helixtrans-93-29.7-178.1-62.4168.6000113.1R32R32-L36 WeakPolarHBondContact O-CB 3.26Å; R32-L36 WeakPolarHBondContact O-CG 3.44Å; R32-L36 PolarHBondContact O-N 2.84Å
37G60.4Low59.6Low16 Ų16104.2 Ų104.217%0.16551%0.512CS..Hα-helixtrans-91.9-44.8-17400000114I33 W39 D40 Y41I33-G37 WeakPolarHBondContact O-CA 3.35Å; I33-G37 PolarHBondContact O-N 3.34Å; G37-W39 PolarHBondContact O-N 3.41Å; G37-W39 VanDerWaalsContact O-N 3.09Å; G37-D40 PolarHBondContact O-N 2.98Å; G37-Y41 WeakPolarHBondContact O-CA 3.37Å; G37-Y41 WeakPolarHBondContact O-CB 3.3Å; G37-Y41 PolarHBondContact O-N 3.34Å
38I56.4Low59.4Low97 Ų97105.5 Ų105.550%0.49752%0.519SS..THydrogen-bonded Turntrans-63.7-26.3-172.1-65.1168.2000113.2V34V34-I38 HydrophobicContact CB-CD1 3.75Å; V34-I38 HydrophobicContact CG1-CD1 3.46Å; V34-I38 VanDerWaalsContact CG1-CD1 3.46Å; V34-I38 HydrophobicContact CG2-CD1 3.88Å; V34-I38 VanDerWaalsContact O-CB 3.31Å; V34-I38 WeakPolarHBondContact O-CB 3.22Å; V34-I38 WeakPolarHBondContact O-CD1 3.33Å; V34-I38 WeakPolarHBondContact O-CG1 3.26Å; V34-I38 PolarHBondContact O-N 3.15Å
39W55.2Low58.6Low230 Ų230108.2 Ų108.287%0.87153%0.53SS*.THydrogen-bonded Turntrans-77.4-22.4178.1-74.798.9000114G37G37-W39 PolarHBondContact O-N 3.41Å; G37-W39 VanDerWaalsContact O-N 3.09Å
40D56.3Low58.5Low126 Ų126109.4 Ų109.467%0.67454%0.535SS*.THydrogen-bonded Turntrans-96.4-19.3172.7-127.918.7000111.2G37 I42G37-D40 PolarHBondContact O-N 2.98Å; D40-I42 VanDerWaalsContact C-N 3.25Å; D40-I42 PolarHBondContact O-N 3.16Å
41Y51.5Low58.2Low96 Ų96107.1 Ų107.138%0.37652%0.523SS..THydrogen-bonded Turntrans-21-39.8-179.5-143.6-67.1000120.5G37 E47 G51G37-Y41 WeakPolarHBondContact O-CA 3.37Å; G37-Y41 WeakPolarHBondContact O-CB 3.3Å; G37-Y41 PolarHBondContact O-N 3.34Å; Y41-E47 VanDerWaalsContact CA-CD 3.49Å; Y41-E47 WeakPolarHBondContact CA-OE1 3.13Å; Y41-E47 WeakPolarHBondContact CB-OE1 3.49Å; Y41-E47 HydrophobicContact CD2-CB 3.66Å; Y41-E47 HydrophobicContact CD2-CG 4.15Å; Y41-E47 WeakPolarHBondContact CD2-OE1 3.45Å; Y41-E47 HydrophobicContact CE2-CB 3.7Å; Y41-E47 WeakPolarHBondContact CE2-O 3.41Å; Y41-E47 HydrophobicContact CG-CB 4.32Å; Y41-E47 PolarHBondContact N-OE1 3.37Å; Y41-E47 PolarHBondContact OH-O 3.34Å; Y41-G51 VanDerWaalsContact OH-CA 3.32Å; Y41-G51 WeakPolarHBondContact OH-CA 3.32Å
42I54.1Low58Low163 Ų163102.9 Ų102.984%0.83651%0.514SS*.THydrogen-bonded Turntrans-115.5-7.4-145.8-82.8168000112D40 E47D40-I42 VanDerWaalsContact C-N 3.25Å; D40-I42 PolarHBondContact O-N 3.16Å; I42-E47 PolarHBondContact N-OE2 3.44Å
43E57.3Low58Low184 Ų18496.6 Ų96.686%0.8649%0.492SS*.SBendtrans-118.2-16.5-165.8-156.9159.6-171.300114.9E47E43-E47 PolarHBondContact N-OE2 3.23Å
44N56.4Low58.1Low104 Ų10496.6 Ų96.656%0.55649%0.492SS*.  trans-135.6137-166.5-145.810.5000117.1V46 E47N44-V46 HydrophobicContact CB-CG2 4.31Å; N44-V46 VanDerWaalsContact ND2-CG2 3.27Å; N44-V46 WeakPolarHBondContact ND2-CG2 3.49Å; N44-V46 PolarHBondContact O-N 3Å; N44-V46 VanDerWaalsContact O-N 3.1Å; N44-E47 HydrophobicContact CB-CG 4.37Å; N44-E47 PolarHBondContact N-OE2 3.46Å; N44-E47 VanDerWaalsContact N-OE2 3.12Å; N44-E47 WeakPolarHBondContact O-CB 3.28Å; N44-E47 WeakPolarHBondContact O-CG 3.4Å; N44-E47 PolarHBondContact O-N 3.36Å
45K51.2Low58.2Low190 Ų19098 Ų9883%0.82650%0.5SS*.THydrogen-bonded Turntrans-61-23.1-178.5-79.9-177.5179.5-74.10114.7E47 V48K45-E47 PolarHBondContact O-N 3.11Å; K45-V48 PolarHBondContact O-N 3.16Å
46V54.1Low58.4Low101 Ų10198.8 Ų98.861%0.61250%0.502SS*.Hα-helixtrans-67.4-22.3176-126.20000111.8N44 F49 D50N44-V46 HydrophobicContact CB-CG2 4.31Å; N44-V46 VanDerWaalsContact ND2-CG2 3.27Å; N44-V46 WeakPolarHBondContact ND2-CG2 3.49Å; N44-V46 PolarHBondContact O-N 3Å; N44-V46 VanDerWaalsContact O-N 3.1Å; V46-F49 WeakPolarHBondContact O-CB 3.26Å; V46-F49 PolarHBondContact O-N 3.1Å; V46-D50 PolarHBondContact O-N 2.96Å
47E57.3Low58.7Low24 Ų2492.5 Ų92.511%0.11247%0.469CS..Hα-helixtrans-72.7-27.8176.8-63.9-169.594.300113.7Y41 I42 E43 N44 K45 F49 D50 G51Y41-E47 VanDerWaalsContact CA-CD 3.49Å; Y41-E47 WeakPolarHBondContact CA-OE1 3.13Å; Y41-E47 WeakPolarHBondContact CB-OE1 3.49Å; Y41-E47 HydrophobicContact CD2-CB 3.66Å; Y41-E47 HydrophobicContact CD2-CG 4.15Å; Y41-E47 WeakPolarHBondContact CD2-OE1 3.45Å; Y41-E47 HydrophobicContact CE2-CB 3.7Å; Y41-E47 WeakPolarHBondContact CE2-O 3.41Å; Y41-E47 HydrophobicContact CG-CB 4.32Å; Y41-E47 PolarHBondContact N-OE1 3.37Å; Y41-E47 PolarHBondContact OH-O 3.34Å; I42-E47 PolarHBondContact N-OE2 3.44Å; E43-E47 PolarHBondContact N-OE2 3.23Å; N44-E47 HydrophobicContact CB-CG 4.37Å; N44-E47 PolarHBondContact N-OE2 3.46Å; N44-E47 VanDerWaalsContact N-OE2 3.12Å; N44-E47 WeakPolarHBondContact O-CB 3.28Å; N44-E47 WeakPolarHBondContact O-CG 3.4Å; N44-E47 PolarHBondContact O-N 3.36Å; K45-E47 PolarHBondContact O-N 3.11Å; E47-F49 PolarHBondContact O-N 3.24Å; E47-D50 CarbonylContact O-C 3.52Å; E47-D50 WeakPolarHBondContact O-CA 3.36Å; E47-D50 PolarHBondContact O-N 3.07Å; E47-G51 PolarHBondContact O-N 3.43Å
48V57.1Low58.9Low103 Ų10395 Ų9562%0.62448%0.478SS*.Hα-helixtrans-60.7-33.5174.5179.80000110.1K45 A52K45-V48 PolarHBondContact O-N 3.16Å; V48-A52 WeakPolarHBondContact O-CB 3.41Å; V48-A52 PolarHBondContact O-N 3.31Å
49F54.2Low59.3Low140 Ų14092.7 Ų92.761%0.61447%0.474SS*.Hα-helixtrans-72.4-35.3175-151.3-89.9000111.9V46 E47 A52 V53V46-F49 WeakPolarHBondContact O-CB 3.26Å; V46-F49 PolarHBondContact O-N 3.1Å; E47-F49 PolarHBondContact O-N 3.24Å; F49-A52 PolarHBondContact O-N 3.38Å; F49-V53 HydrophobicContact CD1-CG2 4.32Å; F49-V53 HydrophobicContact CE1-CG2 4.5Å; F49-V53 WeakPolarHBondContact O-CB 3.49Å; F49-V53 WeakPolarHBondContact O-CG2 3.33Å; F49-V53 PolarHBondContact O-N 3.08Å
50D63.3Low59.4Low62 Ų6283 Ų8333%0.33244%0.44SS..Hα-helixtrans-70.5-37.5173.3-157.748.7000112V46 E47 A52 V53 I54 R90V46-D50 PolarHBondContact O-N 2.96Å; E47-D50 CarbonylContact O-C 3.52Å; E47-D50 WeakPolarHBondContact O-CA 3.36Å; E47-D50 PolarHBondContact O-N 3.07Å; D50-A52 PolarHBondContact O-N 3.18Å; D50-V53 CarbonylContact O-C 3.53Å; D50-V53 WeakPolarHBondContact O-CA 3.48Å; D50-V53 WeakPolarHBondContact O-CB 3.18Å; D50-V53 PolarHBondContact O-N 3.41Å; D50-V53 VanDerWaalsContact O-N 3.1Å; D50-I54 WeakPolarHBondContact O-CD1 3.47Å; D50-I54 WeakPolarHBondContact O-CG1 3.49Å; D50-I54 PolarHBondContact O-N 2.92Å; D50-R90 IonicContact OD1-NH2 2.78Å; D50-R90 PolarHBondContact OD1-NH2 2.89Å
51G61.5Low59.7Low9 Ų978.1 Ų78.19%0.09341%0.414CS..Hα-helixtrans-59.9-44.2168.900000112.6Y41 E47 V53 I54 V55Y41-G51 VanDerWaalsContact OH-CA 3.32Å; Y41-G51 WeakPolarHBondContact OH-CA 3.32Å; E47-G51 PolarHBondContact O-N 3.43Å; G51-V53 VanDerWaalsContact C-N 3.25Å; G51-V53 PolarHBondContact O-N 2.98Å; G51-I54 WeakPolarHBondContact O-CB 3.34Å; G51-I54 PolarHBondContact O-N 2.86Å; G51-V55 WeakPolarHBondContact O-CB 3.28Å; G51-V55 VanDerWaalsContact O-CG2 3.23Å; G51-V55 WeakPolarHBondContact O-CG2 3.42Å; G51-V55 PolarHBondContact O-N 3.21Å
52A59Low60.3Low53 Ų5376.7 Ų76.744%0.43842%0.415SS..Hα-helixtrans-62.1-35.4173.600000111.8V48 F49 D50 V55 L56V48-A52 WeakPolarHBondContact O-CB 3.41Å; V48-A52 PolarHBondContact O-N 3.31Å; F49-A52 PolarHBondContact O-N 3.38Å; D50-A52 PolarHBondContact O-N 3.18Å; A52-V55 PolarHBondContact O-N 3.37Å; A52-L56 WeakPolarHBondContact O-CB 3.14Å; A52-L56 PolarHBondContact O-N 2.97Å
53V65.1Low60.7Low14 Ų1471.4 Ų71.49%0.08540%0.395CS..Hα-helixtrans-70.6-38.7175.4163.50000111.4F49 D50 G51 S57 R90F49-V53 HydrophobicContact CD1-CG2 4.32Å; F49-V53 HydrophobicContact CE1-CG2 4.5Å; F49-V53 WeakPolarHBondContact O-CB 3.49Å; F49-V53 WeakPolarHBondContact O-CG2 3.33Å; F49-V53 PolarHBondContact O-N 3.08Å; D50-V53 CarbonylContact O-C 3.53Å; D50-V53 WeakPolarHBondContact O-CA 3.48Å; D50-V53 WeakPolarHBondContact O-CB 3.18Å; D50-V53 PolarHBondContact O-N 3.41Å; D50-V53 VanDerWaalsContact O-N 3.1Å; G51-V53 VanDerWaalsContact C-N 3.25Å; G51-V53 PolarHBondContact O-N 2.98Å; V53-S57 WeakPolarHBondContact O-CB 3.49Å; V53-S57 PolarHBondContact O-N 3.24Å; V53-S57 PolarHBondContact O-OG 3.42Å; V53-R90 HydrophobicContact CG1-CB 4.34Å; V53-R90 HydrophobicContact CG1-CG 3.89Å; V53-R90 HydrophobicContact CG2-CG 4.47Å
54I65.8Low60.7Low46 Ų4664.8 Ų64.824%0.23637%0.37CS..Hα-helixtrans-62.7-45.8172.3-66.9161.2000109.8I33 D50 G51 S57 L58I33-I54 HydrophobicContact CD1-CG1 4.27Å; I33-I54 HydrophobicContact CG2-CD1 3.52Å; I33-I54 HydrophobicContact CG2-CG1 3.99Å; D50-I54 WeakPolarHBondContact O-CD1 3.47Å; D50-I54 WeakPolarHBondContact O-CG1 3.49Å; D50-I54 PolarHBondContact O-N 2.92Å; G51-I54 WeakPolarHBondContact O-CB 3.34Å; G51-I54 PolarHBondContact O-N 2.86Å; I54-S57 WeakPolarHBondContact CA-OG 3.32Å; I54-S57 CarbonylContact O-C 3.54Å; I54-S57 PolarHBondContact O-N 3.42Å; I54-S57 PolarHBondContact O-OG 2.94Å; I54-L58 WeakPolarHBondContact O-CB 3.17Å; I54-L58 PolarHBondContact O-N 3.1Å
55V63.9Low60.7Low93 Ų9364.9 Ų64.956%0.56437%0.374SS*.Hα-helixtrans-67-47179.5171.70000111.8G51 A52 S57 L58 A59G51-V55 WeakPolarHBondContact O-CB 3.28Å; G51-V55 VanDerWaalsContact O-CG2 3.23Å; G51-V55 WeakPolarHBondContact O-CG2 3.42Å; G51-V55 PolarHBondContact O-N 3.21Å; A52-V55 PolarHBondContact O-N 3.37Å; V55-S57 PolarHBondContact O-N 2.97Å; V55-L58 PolarHBondContact O-N 3.42Å; V55-L58 VanDerWaalsContact O-N 3.13Å; V55-A59 WeakPolarHBondContact O-CB 3.5Å; V55-A59 PolarHBondContact O-N 3.35Å
56L66.8Low61Low90 Ų9061.4 Ų61.447%0.47137%0.369SS..Hα-helixtrans-65.1-26.6177.5-173.458.9000111.8A52 P60 W86A52-L56 WeakPolarHBondContact O-CB 3.14Å; A52-L56 PolarHBondContact O-N 2.97Å; L56-P60 WeakPolarHBondContact O-CD 3.42Å; L56-W86 HydrophobicContact CD2-CD2 4.44Å; L56-W86 HydrophobicContact CD2-CH2 4.24Å; L56-W86 HydrophobicContact CD2-CZ2 3.47Å; L56-W86 VanDerWaalsContact CD2-CZ2 3.47Å
57S66.3Low61Low1 Ų159 Ų591%0.00736%0.359CS..Hα-helixtrans-89.1-17176.270.70000114.4V53 I54 V55 M61 L83 R87V53-S57 WeakPolarHBondContact O-CB 3.49Å; V53-S57 PolarHBondContact O-N 3.24Å; V53-S57 PolarHBondContact O-OG 3.42Å; I54-S57 WeakPolarHBondContact CA-OG 3.32Å; I54-S57 CarbonylContact O-C 3.54Å; I54-S57 PolarHBondContact O-N 3.42Å; I54-S57 PolarHBondContact O-OG 2.94Å; V55-S57 PolarHBondContact O-N 2.97Å; S57-M61 WeakPolarHBondContact O-CE 3.42Å; S57-L83 WeakPolarHBondContact O-CD1 3.43Å; S57-R87 PolarHBondContact O-NH2 3.32Å; S57-R87 PolarHBondContact OG-NH1 3.49Å; S57-R87 PolarHBondContact OG-NH2 3.36Å
58L64.9Low60.8Low68 Ų6866.1 Ų66.136%0.35640%0.398SS..Hα-helixtrans-84.1-37.7172.5-177.767.6000112F26 I54 V55 M61 V62F26-L58 HydrophobicContact CE2-CD1 3.87Å; F26-L58 HydrophobicContact CZ-CD1 4.04Å; I54-L58 WeakPolarHBondContact O-CB 3.17Å; I54-L58 PolarHBondContact O-N 3.1Å; V55-L58 PolarHBondContact O-N 3.42Å; V55-L58 VanDerWaalsContact O-N 3.13Å; L58-M61 HydrophobicContact CD1-CE 4.07Å; L58-M61 PolarHBondContact O-N 3.31Å; L58-V62 HydrophobicContact CD1-CG2 4.06Å; L58-V62 HydrophobicContact CG-CG2 3.96Å; L58-V62 PolarHBondContact O-N 3.39Å
59A64.1Low60.7Low49 Ų4963.5 Ų63.541%0.40539%0.391SS..Hα-helixtrans-56-43.1-173.100000113.7V55 M61 V62 A63V55-A59 WeakPolarHBondContact O-CB 3.5Å; V55-A59 PolarHBondContact O-N 3.35Å; A59-M61 PolarHBondContact O-N 3.43Å; A59-V62 PolarHBondContact O-N 3.39Å; A59-A63 WeakPolarHBondContact O-CB 3.27Å; A59-A63 PolarHBondContact O-N 3.05Å
60P57.9Low60.7Low26 Ų2658.9 Ų58.917%0.16938%0.376CS..Hα-helixtrans-72.5-24.9176.8-25.439.1000114.9L56 S64 L83L56-P60 WeakPolarHBondContact O-CD 3.42Å; P60-S64 VanDerWaalsContact O-CB 3.31Å; P60-S64 WeakPolarHBondContact O-CB 2.84Å; P60-S64 PolarHBondContact O-N 3.1Å; P60-S64 VanDerWaalsContact O-N 3.08Å; P60-S64 PolarHBondContact O-OG 3.18Å; P60-L83 HydrophobicContact CB-CB 4.22Å; P60-L83 HydrophobicContact CB-CD1 3.78Å; P60-L83 HydrophobicContact CB-CD2 4.23Å; P60-L83 HydrophobicContact CB-CG 4.27Å; P60-L83 HydrophobicContact CG-CB 4.3Å; P60-L83 HydrophobicContact CG-CD1 3.4Å; P60-L83 HydrophobicContact CG-CG 4.3Å
61M62.3Low60.5Low24 Ų2462.6 Ų62.612%0.11841%0.406CS..Hα-helixtrans-74-38.4174.4-66.1-178.1-58.300111.2F26 S57 L58 A59 T65 L83F26-M61 HydrophobicContact CB-SD 3.99Å; F26-M61 HydrophobicContact CD2-CE 3.11Å; F26-M61 HydrophobicContact CD2-SD 3.23Å; F26-M61 WeakPolarHBondContact CD2-SD 3.46Å; F26-M61 HydrophobicContact CE2-CE 3.17Å; F26-M61 HydrophobicContact CE2-SD 3.89Å; F26-M61 HydrophobicContact CG-CE 4.24Å; F26-M61 HydrophobicContact CG-SD 3.84Å; F26-M61 HydrophobicContact CZ-CE 4.34Å; S57-M61 WeakPolarHBondContact O-CE 3.42Å; L58-M61 HydrophobicContact CD1-CE 4.07Å; L58-M61 PolarHBondContact O-N 3.31Å; A59-M61 PolarHBondContact O-N 3.43Å; M61-T65 WeakPolarHBondContact O-CG2 3.07Å; M61-T65 PolarHBondContact O-N 3.42Å; M61-T65 PolarHBondContact O-OG1 3.31Å; M61-L83 HydrophobicContact CG-CD2 4.26Å
62V62.7Low60.5Low67 Ų6764.4 Ų64.441%0.40642%0.418SS..Hα-helixtrans-73.5-41.8174.4179.20000110.9L58 A59 S64 T65 V66L58-V62 HydrophobicContact CD1-CG2 4.06Å; L58-V62 HydrophobicContact CG-CG2 3.96Å; L58-V62 PolarHBondContact O-N 3.39Å; A59-V62 PolarHBondContact O-N 3.39Å; V62-S64 VanDerWaalsContact C-N 3.32Å; V62-S64 PolarHBondContact O-N 2.68Å; V62-T65 WeakPolarHBondContact CA-OG1 3.31Å; V62-T65 PolarHBondContact O-N 3.05Å; V62-T65 VanDerWaalsContact O-N 3.16Å; V62-T65 PolarHBondContact O-OG1 3.33Å; V62-T65 VanDerWaalsContact O-OG1 3.04Å; V62-V66 HydrophobicContact CG1-CG2 3.99Å; V62-V66 WeakPolarHBondContact O-CB 2.73Å; V62-V66 PolarHBondContact O-N 2.9Å
63A63.2Low60.7Low51 Ų5166.8 Ų66.842%0.42143%0.429SS..Hα-helixtrans-62.7-37.4177.900000112.4A59 T65 A67A59-A63 WeakPolarHBondContact O-CB 3.27Å; A59-A63 PolarHBondContact O-N 3.05Å; A63-T65 VanDerWaalsContact C-N 3.28Å; A63-T65 PolarHBondContact O-N 2.87Å; A63-A67 VanDerWaalsContact O-CB 3.28Å; A63-A67 WeakPolarHBondContact O-CB 3.49Å; A63-A67 PolarHBondContact O-N 3.34Å
64S57.8Low60.6Low46 Ų4675.9 Ų75.932%0.32246%0.461SS..Hα-helixtrans-74.5-15.8177.6-56.50000114P60 V62P60-S64 VanDerWaalsContact O-CB 3.31Å; P60-S64 WeakPolarHBondContact O-CB 2.84Å; P60-S64 PolarHBondContact O-N 3.1Å; P60-S64 VanDerWaalsContact O-N 3.08Å; P60-S64 PolarHBondContact O-OG 3.18Å; V62-S64 VanDerWaalsContact C-N 3.32Å; V62-S64 PolarHBondContact O-N 2.68Å
65T57.3Low60.7Low106 Ų10678 Ų7865%0.6547%0.473SS*.Hα-helixtrans-106.7-32.8-177.248.10000113.3M61 V62 A63M61-T65 WeakPolarHBondContact O-CG2 3.07Å; M61-T65 PolarHBondContact O-N 3.42Å; M61-T65 PolarHBondContact O-OG1 3.31Å; V62-T65 WeakPolarHBondContact CA-OG1 3.31Å; V62-T65 PolarHBondContact O-N 3.05Å; V62-T65 VanDerWaalsContact O-N 3.16Å; V62-T65 PolarHBondContact O-OG1 3.33Å; V62-T65 VanDerWaalsContact O-OG1 3.04Å; A63-T65 VanDerWaalsContact C-N 3.28Å; A63-T65 PolarHBondContact O-N 2.87Å
66V57.4Low60.9Low117 Ų11774.5 Ų74.571%0.70945%0.454SS*.Hα-helixtrans-88.8-34.1-1801640000112.4V62V62-V66 HydrophobicContact CG1-CG2 3.99Å; V62-V66 WeakPolarHBondContact O-CB 2.73Å; V62-V66 PolarHBondContact O-N 2.9Å
67A54.1Low61Low49 Ų4974.7 Ų74.741%0.40546%0.455SS..SBendtrans-82.8123.5173.800000108.4A63 G69A63-A67 VanDerWaalsContact O-CB 3.28Å; A63-A67 WeakPolarHBondContact O-CB 3.49Å; A63-A67 PolarHBondContact O-N 3.34Å; A67-G69 PolarHBondContact O-N 3.46Å
68N52.8Low61.2Low175 Ų17576 Ų7694%0.93647%0.468SS*.SBendtrans-61.873.5152.6-70-56.3000108.4
69G53.8Low61.4Low47 Ų4776.3 Ų76.349%0.48547%0.47SS..  trans64.7138175.100000117.3A67A67-G69 PolarHBondContact O-N 3.46Å
70P54.4Low61.7Low44 Ų4476.4 Ų76.429%0.28646%0.463SS..  trans-51.1142.9136-11.126.2000106.9S72 D75 A76P70-S72 CarbonylContact O-C 3.54Å; P70-S72 PolarHBondContact O-N 2.9Å; P70-D75 HydrophobicContact CB-CB 4.01Å; P70-D75 HydrophobicContact CG-CB 4.36Å; P70-A76 HydrophobicContact CG-CB 4.31Å
71S60Low62.5Low139 Ų13979.7 Ų79.797%0.97248%0.478SS*.SBendtrans-56-0.3-174.445.80000115.9
72S60.5Low62.8Low47 Ų4782.1 Ų82.133%0.32950%0.498SS..SBendtrans-136.7123.4171.5-176.80000110.7P70 W74 D75P70-S72 CarbonylContact O-C 3.54Å; P70-S72 PolarHBondContact O-N 2.9Å; S72-W74 PolarHBondContact O-N 3.1Å; S72-D75 PolarHBondContact O-N 3.3Å
73P63Low63.1Low103 Ų10379.6 Ų79.667%0.66948%0.482SS*.Hα-helixtrans-52.5-23.7173.7-25.733000114.2D75 I77P73-D75 VanDerWaalsContact C-N 3.33Å; P73-I77 PolarHBondContact O-N 3.41Å; P73-I77 VanDerWaalsContact O-N 3.13Å
74W63.7Low63.7Low205 Ų20581.5 Ų81.578%0.77748%0.478SS*.Hα-helixtrans-67.3-30.3178.1-6599.9000113.4S72 I77 G78S72-W74 PolarHBondContact O-N 3.1Å; W74-I77 WeakPolarHBondContact O-CG2 3.44Å; W74-G78 PolarHBondContact O-N 3.2Å; W74-G78 VanDerWaalsContact O-N 3.09Å
75D67.1Low64.6Low91 Ų9184.8 Ų84.849%0.48749%0.491SS..Hα-helixtrans-78.2-38.9179.4-166.235.6000111P70 S72 P73 I77 G78 L79P70-D75 HydrophobicContact CB-CB 4.01Å; P70-D75 HydrophobicContact CG-CB 4.36Å; S72-D75 PolarHBondContact O-N 3.3Å; P73-D75 VanDerWaalsContact C-N 3.33Å; D75-I77 VanDerWaalsContact C-N 3.34Å; D75-I77 PolarHBondContact O-N 3.34Å; D75-G78 PolarHBondContact O-N 3.23Å; D75-L79 WeakPolarHBondContact O-CB 3.12Å; D75-L79 VanDerWaalsContact O-CG 3.26Å; D75-L79 WeakPolarHBondContact O-CG 3.48Å; D75-L79 PolarHBondContact O-N 3.24Å
76A68Low65.5Low20 Ų2084.1 Ų84.117%0.16548%0.476CS..Hα-helixtrans-61-42.5171.800000111.8P70 G78 L79 I80P70-A76 HydrophobicContact CG-CB 4.31Å; A76-G78 VanDerWaalsContact C-N 3.35Å; A76-G78 PolarHBondContact O-N 2.87Å; A76-L79 PolarHBondContact O-N 2.92Å; A76-I80 WeakPolarHBondContact O-CD1 3.29Å; A76-I80 WeakPolarHBondContact O-CG1 3.37Å; A76-I80 PolarHBondContact O-N 2.92Å
77I70.6Confident66.2Low93 Ų9380.6 Ų80.648%0.47745%0.45SS..Hα-helixtrans-62.9-42.1175.7-12475.4000111.3P73 W74 D75 I80 I81P73-I77 PolarHBondContact O-N 3.41Å; P73-I77 VanDerWaalsContact O-N 3.13Å; W74-I77 WeakPolarHBondContact O-CG2 3.44Å; D75-I77 VanDerWaalsContact C-N 3.34Å; D75-I77 PolarHBondContact O-N 3.34Å; I77-I80 PolarHBondContact O-N 3.49Å; I77-I81 HydrophobicContact CG2-CD1 4.37Å; I77-I81 WeakPolarHBondContact O-CG1 3.16Å; I77-I81 PolarHBondContact O-N 3.42Å
78G69.6Low67.3Low28 Ų2882.2 Ų82.229%0.28946%0.455SS..Hα-helixtrans-65.6-39.7178.600000112.8W74 D75 A76 I81 S82W74-G78 PolarHBondContact O-N 3.2Å; W74-G78 VanDerWaalsContact O-N 3.09Å; D75-G78 PolarHBondContact O-N 3.23Å; A76-G78 VanDerWaalsContact C-N 3.35Å; A76-G78 PolarHBondContact O-N 2.87Å; G78-I81 PolarHBondContact O-N 3.11Å; G78-S82 VanDerWaalsContact O-CB 3.31Å; G78-S82 WeakPolarHBondContact O-CB 3.32Å; G78-S82 PolarHBondContact O-N 3.49Å; G78-S82 PolarHBondContact O-OG 3.37Å
79L68.6Low68.4Low75 Ų7578.6 Ų78.639%0.39343%0.431SS..Hα-helixtrans-65.7-40.5175.2-72169.8000112D75 A76 L83D75-L79 WeakPolarHBondContact O-CB 3.12Å; D75-L79 VanDerWaalsContact O-CG 3.26Å; D75-L79 WeakPolarHBondContact O-CG 3.48Å; D75-L79 PolarHBondContact O-N 3.24Å; A76-L79 PolarHBondContact O-N 2.92Å; L79-L83 WeakPolarHBondContact O-CB 3.24Å; L79-L83 PolarHBondContact O-N 3.18Å
80I70.7Confident69.4Low51 Ų5178.9 Ų78.926%0.26242%0.418SS..Hα-helixtrans-63.3-45175.8-68.6164.2000110.8A76 I77 R84A76-I80 WeakPolarHBondContact O-CD1 3.29Å; A76-I80 WeakPolarHBondContact O-CG1 3.37Å; A76-I80 PolarHBondContact O-N 2.92Å; I77-I80 PolarHBondContact O-N 3.49Å; I80-R84 WeakPolarHBondContact O-CG 3.42Å; I80-R84 PolarHBondContact O-N 3.39Å
81I75.3Confident70.4Confident95 Ų9581.2 Ų81.249%0.48743%0.427SS..Hα-helixtrans-65.7-46.5179.1-66.9164.7000110.7I77 G78 L83 R84 I85I77-I81 HydrophobicContact CG2-CD1 4.37Å; I77-I81 WeakPolarHBondContact O-CG1 3.16Å; I77-I81 PolarHBondContact O-N 3.42Å; G78-I81 PolarHBondContact O-N 3.11Å; I81-L83 VanDerWaalsContact C-N 3.33Å; I81-L83 PolarHBondContact O-N 2.96Å; I81-R84 WeakPolarHBondContact O-CB 3.45Å; I81-R84 PolarHBondContact O-N 3.01Å; I81-R84 VanDerWaalsContact O-N 3.12Å; I81-I85 HydrophobicContact CG2-CD1 3.98Å; I81-I85 WeakPolarHBondContact O-CG1 3.4Å; I81-I85 PolarHBondContact O-N 3.37Å
82S68.1Low71.3Confident75 Ų7579 Ų7952%0.52440%0.403SS..Hα-helixtrans-62.5-40.7179.5-57.80000111.7G78 R84 I85 W86G78-S82 VanDerWaalsContact O-CB 3.31Å; G78-S82 WeakPolarHBondContact O-CB 3.32Å; G78-S82 PolarHBondContact O-N 3.49Å; G78-S82 PolarHBondContact O-OG 3.37Å; S82-R84 PolarHBondContact O-N 3.42Å; S82-I85 PolarHBondContact O-N 2.83Å; S82-W86 WeakPolarHBondContact O-CB 2.88Å; S82-W86 PolarHBondContact O-N 2.89Å
83L69Low71.7Confident15 Ų1579.8 Ų79.88%0.07940%0.404CS..Hα-helixtrans-59.9-44172.5175.791.7000111.7S57 P60 M61 L79 I81 I85 W86 R87S57-L83 WeakPolarHBondContact O-CD1 3.43Å; P60-L83 HydrophobicContact CB-CB 4.22Å; P60-L83 HydrophobicContact CB-CD1 3.78Å; P60-L83 HydrophobicContact CB-CD2 4.23Å; P60-L83 HydrophobicContact CB-CG 4.27Å; P60-L83 HydrophobicContact CG-CB 4.3Å; P60-L83 HydrophobicContact CG-CD1 3.4Å; P60-L83 HydrophobicContact CG-CG 4.3Å; M61-L83 HydrophobicContact CG-CD2 4.26Å; L79-L83 WeakPolarHBondContact O-CB 3.24Å; L79-L83 PolarHBondContact O-N 3.18Å; I81-L83 VanDerWaalsContact C-N 3.33Å; I81-L83 PolarHBondContact O-N 2.96Å; L83-I85 VanDerWaalsContact C-N 3.34Å; L83-I85 PolarHBondContact O-N 3.22Å; L83-W86 WeakPolarHBondContact O-CB 3.18Å; L83-W86 PolarHBondContact O-N 2.73Å; L83-R87 PolarHBondContact O-N 3.5Å
84R75.1Confident72.1Confident91 Ų9177.4 Ų77.434%0.34339%0.392SS..Hα-helixtrans-62.8-43.5-179.6-73.7-72.3-171.1174.15.8111.1I80 I81 S82 W86 R87 V88I80-R84 WeakPolarHBondContact O-CG 3.42Å; I80-R84 PolarHBondContact O-N 3.39Å; I81-R84 WeakPolarHBondContact O-CB 3.45Å; I81-R84 PolarHBondContact O-N 3.01Å; I81-R84 VanDerWaalsContact O-N 3.12Å; S82-R84 PolarHBondContact O-N 3.42Å; R84-W86 VanDerWaalsContact C-N 3.33Å; R84-R87 PolarHBondContact O-N 3.38Å; R84-V88 WeakPolarHBondContact O-CG2 3.42Å; R84-V88 PolarHBondContact O-N 3.48Å; R84-V88 VanDerWaalsContact O-N 3.07Å
85I76.6Confident72.6Confident114 Ų11474.6 Ų74.659%0.58538%0.383SS*.Hα-helixtrans-63.3-42.2175.2-64.5166.5000110.6I81 S82 L83 R87 V88 K89I81-I85 HydrophobicContact CG2-CD1 3.98Å; I81-I85 WeakPolarHBondContact O-CG1 3.4Å; I81-I85 PolarHBondContact O-N 3.37Å; S82-I85 PolarHBondContact O-N 2.83Å; L83-I85 VanDerWaalsContact C-N 3.34Å; L83-I85 PolarHBondContact O-N 3.22Å; I85-R87 VanDerWaalsContact C-N 3.32Å; I85-R87 PolarHBondContact O-N 2.98Å; I85-V88 PolarHBondContact O-N 3.48Å; I85-K89 PolarHBondContact O-N 3.37Å
86W76.6Confident73Confident92 Ų9274.5 Ų74.535%0.34839%0.385SS..Hα-helixtrans-59-41.8175.3-179.5-100.2000112.6L56 S82 L83 R84 K89 R90L56-W86 HydrophobicContact CD2-CD2 4.44Å; L56-W86 HydrophobicContact CD2-CH2 4.24Å; L56-W86 HydrophobicContact CD2-CZ2 3.47Å; L56-W86 VanDerWaalsContact CD2-CZ2 3.47Å; S82-W86 WeakPolarHBondContact O-CB 2.88Å; S82-W86 PolarHBondContact O-N 2.89Å; L83-W86 WeakPolarHBondContact O-CB 3.18Å; L83-W86 PolarHBondContact O-N 2.73Å; R84-W86 VanDerWaalsContact C-N 3.33Å; W86-K89 HydrophobicContact CE3-CD 4.49Å; W86-K89 HydrophobicContact CZ3-CD 4.43Å; W86-K89 PolarHBondContact O-N 2.82Å; W86-R90 PolarHBondContact O-N 2.95Å; W86-R90 VanDerWaalsContact O-N 3.09Å
87R73.1Confident73.2Confident43 Ų4378.7 Ų78.716%0.16240%0.404CS..Hα-helixtrans-63.8-43.9174.9-80.9-145.5-175.6-87.4-0.5112.4S57 L83 R84 I85 K89 R90 I91S57-R87 PolarHBondContact O-NH2 3.32Å; S57-R87 PolarHBondContact OG-NH1 3.49Å; S57-R87 PolarHBondContact OG-NH2 3.36Å; L83-R87 PolarHBondContact O-N 3.5Å; R84-R87 PolarHBondContact O-N 3.38Å; I85-R87 VanDerWaalsContact C-N 3.32Å; I85-R87 PolarHBondContact O-N 2.98Å; R87-K89 VanDerWaalsContact C-N 3.34Å; R87-K89 PolarHBondContact O-N 3Å; R87-R90 PolarHBondContact O-N 3.38Å; R87-I91 VanDerWaalsContact O-CG1 3.31Å; R87-I91 WeakPolarHBondContact O-CG1 3.44Å; R87-I91 PolarHBondContact O-N 3.35Å
88V77.6Confident73.3Confident84 Ų8480 Ų8051%0.50941%0.408SS..Hα-helixtrans-60.9-44.9177.6174.30000110.9R84 I85 R90 I91 I92R84-V88 WeakPolarHBondContact O-CG2 3.42Å; R84-V88 PolarHBondContact O-N 3.48Å; R84-V88 VanDerWaalsContact O-N 3.07Å; I85-V88 PolarHBondContact O-N 3.48Å; V88-R90 VanDerWaalsContact C-N 3.31Å; V88-R90 PolarHBondContact O-N 2.85Å; V88-I91 PolarHBondContact O-N 3.02Å; V88-I92 HydrophobicContact CG1-CD1 3.87Å; V88-I92 WeakPolarHBondContact O-CG1 3.27Å; V88-I92 PolarHBondContact O-N 3.17Å
89K75.1Confident73.3Confident99 Ų9982.8 Ų82.843%0.4342%0.419SS..Hα-helixtrans-54.5-46.7174.2173.4-178.4164.2430111.9I85 W86 R87 I92 D93I85-K89 PolarHBondContact O-N 3.37Å; W86-K89 HydrophobicContact CE3-CD 4.49Å; W86-K89 HydrophobicContact CZ3-CD 4.43Å; W86-K89 PolarHBondContact O-N 2.82Å; R87-K89 VanDerWaalsContact C-N 3.34Å; R87-K89 PolarHBondContact O-N 3Å; K89-I92 PolarHBondContact O-N 3.09Å; K89-D93 IonicContact NZ-OD1 3.07Å; K89-D93 IonicContact NZ-OD2 3.77Å; K89-D93 PolarHBondContact NZ-OD2 3.21Å; K89-D93 WeakPolarHBondContact O-CB 3.09Å; K89-D93 VanDerWaalsContact O-CG 3.29Å; K89-D93 PolarHBondContact O-N 3.44Å
90R75.5Confident73.9Confident53 Ų5384.5 Ų84.520%0.242%0.424CS..Hα-helixtrans-68.1-36.6-178.4-78.4-68.1-57.6169.3-5.6113.4D50 V53 W86 R87 V88 I92 D93 A94D50-R90 IonicContact OD1-NH2 2.78Å; D50-R90 PolarHBondContact OD1-NH2 2.89Å; V53-R90 HydrophobicContact CG1-CB 4.34Å; V53-R90 HydrophobicContact CG1-CG 3.89Å; V53-R90 HydrophobicContact CG2-CG 4.47Å; W86-R90 PolarHBondContact O-N 2.95Å; W86-R90 VanDerWaalsContact O-N 3.09Å; R87-R90 PolarHBondContact O-N 3.38Å; V88-R90 VanDerWaalsContact C-N 3.31Å; V88-R90 PolarHBondContact O-N 2.85Å; R90-I92 VanDerWaalsContact C-N 3.34Å; R90-D93 PolarHBondContact O-N 3.3Å; R90-A94 VanDerWaalsContact O-CB 3.31Å; R90-A94 WeakPolarHBondContact O-CB 3.38Å; R90-A94 PolarHBondContact O-N 3.12Å
91I75Confident74.1Confident93 Ų9386 Ų8648%0.47744%0.435SS..Hα-helixtrans-62.4-45.8173.9-68.7165.5000109.7R87 V88 A94 Y95R87-I91 VanDerWaalsContact O-CG1 3.31Å; R87-I91 WeakPolarHBondContact O-CG1 3.44Å; R87-I91 PolarHBondContact O-N 3.35Å; V88-I91 PolarHBondContact O-N 3.02Å; I91-A94 PolarHBondContact O-N 3.42Å; I91-Y95 HydrophobicContact CG2-CD2 3.61Å; I91-Y95 HydrophobicContact CG2-CE2 3.47Å; I91-Y95 VanDerWaalsContact CG2-CE2 3.47Å; I91-Y95 WeakPolarHBondContact O-CD2 3.22Å; I91-Y95 PolarHBondContact O-N 2.94Å
92I78.9Confident74Confident93 Ų9386.8 Ų86.848%0.47744%0.437SS..Hα-helixtrans-61.9-49.5176.8-64.6164.4000110.8V88 K89 R90 A94 Y95 V96V88-I92 HydrophobicContact CG1-CD1 3.87Å; V88-I92 WeakPolarHBondContact O-CG1 3.27Å; V88-I92 PolarHBondContact O-N 3.17Å; K89-I92 PolarHBondContact O-N 3.09Å; R90-I92 VanDerWaalsContact C-N 3.34Å; I92-A94 PolarHBondContact O-N 3.06Å; I92-Y95 PolarHBondContact O-N 3.28Å; I92-V96 HydrophobicContact CG2-CG2 4.17Å; I92-V96 WeakPolarHBondContact O-CB 3.07Å; I92-V96 VanDerWaalsContact O-CG2 3.3Å; I92-V96 WeakPolarHBondContact O-CG2 3.25Å; I92-V96 PolarHBondContact O-N 2.91Å
93D69.2Low74.1Confident63 Ų6388.1 Ų88.134%0.33744%0.436SS..Hα-helixtrans-60-35.9179.7-71-24.5000111.5K89 R90 L97K89-D93 IonicContact NZ-OD1 3.07Å; K89-D93 IonicContact NZ-OD2 3.77Å; K89-D93 PolarHBondContact NZ-OD2 3.21Å; K89-D93 WeakPolarHBondContact O-CB 3.09Å; K89-D93 VanDerWaalsContact O-CG 3.29Å; K89-D93 PolarHBondContact O-N 3.44Å; R90-D93 PolarHBondContact O-N 3.3Å; D93-L97 VanDerWaalsContact O-CB 3.31Å; D93-L97 WeakPolarHBondContact O-CB 3.42Å; D93-L97 PolarHBondContact O-N 3.49Å
94A70.3Confident74.6Confident52 Ų5291.9 Ų91.943%0.4345%0.453SS..Hα-helixtrans-68.4-45.9175.300000112.4R90 I91 I92 L97 Q98R90-A94 VanDerWaalsContact O-CB 3.31Å; R90-A94 WeakPolarHBondContact O-CB 3.38Å; R90-A94 PolarHBondContact O-N 3.12Å; I91-A94 PolarHBondContact O-N 3.42Å; I92-A94 PolarHBondContact O-N 3.06Å; A94-L97 PolarHBondContact O-N 3.07Å; A94-Q98 WeakPolarHBondContact O-CB 3.48Å; A94-Q98 PolarHBondContact O-N 3.46Å
95Y74.4Confident74.8Confident147 Ų14792 Ų9258%0.57646%0.46SS*.Hα-helixtrans-63.1-43.6176.2-83.7-66.7000112.1I91 I92 L97 Q98 V99I91-Y95 HydrophobicContact CG2-CD2 3.61Å; I91-Y95 HydrophobicContact CG2-CE2 3.47Å; I91-Y95 VanDerWaalsContact CG2-CE2 3.47Å; I91-Y95 WeakPolarHBondContact O-CD2 3.22Å; I91-Y95 PolarHBondContact O-N 2.94Å; I92-Y95 PolarHBondContact O-N 3.28Å; Y95-L97 VanDerWaalsContact C-N 3.32Å; Y95-L97 PolarHBondContact O-N 3.38Å; Y95-Q98 PolarHBondContact O-N 3.31Å; Y95-V99 WeakPolarHBondContact O-CB 3.19Å; Y95-V99 VanDerWaalsContact O-CG2 3.28Å; Y95-V99 WeakPolarHBondContact O-CG2 3.33Å; Y95-V99 PolarHBondContact O-N 2.69Å
96V75.1Confident75Confident89 Ų8991.1 Ų91.154%0.53945%0.453SS..Hα-helixtrans-63-41.3178.4170.90000111I92 K100I92-V96 HydrophobicContact CG2-CG2 4.17Å; I92-V96 WeakPolarHBondContact O-CB 3.07Å; I92-V96 VanDerWaalsContact O-CG2 3.3Å; I92-V96 WeakPolarHBondContact O-CG2 3.25Å; I92-V96 PolarHBondContact O-N 2.91Å; V96-K100 VanDerWaalsContact O-CB 3.24Å; V96-K100 WeakPolarHBondContact O-CB 3.46Å; V96-K100 PolarHBondContact O-N 3.36Å
97L73.2Confident75.4Confident108 Ų10890.4 Ų90.457%0.56546%0.455SS*.Hα-helixtrans-66-42.8176.9-173.165.4000111.6D93 A94 Y95 K100 V101D93-L97 VanDerWaalsContact O-CB 3.31Å; D93-L97 WeakPolarHBondContact O-CB 3.42Å; D93-L97 PolarHBondContact O-N 3.49Å; A94-L97 PolarHBondContact O-N 3.07Å; Y95-L97 VanDerWaalsContact C-N 3.32Å; Y95-L97 PolarHBondContact O-N 3.38Å; L97-K100 PolarHBondContact O-N 2.98Å; L97-V101 WeakPolarHBondContact O-CG2 3.24Å; L97-V101 PolarHBondContact O-N 3.49Å
98Q72.2Confident75.7Confident120 Ų12093.6 Ų93.656%0.56147%0.472SS*.Hα-helixtrans-59.6-50.8176.4-176.6-179.96.100111.5A94 Y95 K100 V101 E102A94-Q98 WeakPolarHBondContact O-CB 3.48Å; A94-Q98 PolarHBondContact O-N 3.46Å; Y95-Q98 PolarHBondContact O-N 3.31Å; Q98-K100 VanDerWaalsContact C-N 3.28Å; Q98-K100 PolarHBondContact O-N 3.28Å; Q98-V101 PolarHBondContact O-N 3.45Å; Q98-E102 PolarHBondContact O-N 3.28Å
99V70.9Confident75.8Confident86 Ų8695.4 Ų95.452%0.52148%0.475SS..Hα-helixtrans-61.9-38.3178.5171.60000111.2Y95 E102 M103Y95-V99 WeakPolarHBondContact O-CB 3.19Å; Y95-V99 VanDerWaalsContact O-CG2 3.28Å; Y95-V99 WeakPolarHBondContact O-CG2 3.33Å; Y95-V99 PolarHBondContact O-N 2.69Å; V99-E102 PolarHBondContact O-N 3.35Å; V99-M103 VanDerWaalsContact O-CB 3.28Å; V99-M103 WeakPolarHBondContact O-CB 3.48Å; V99-M103 PolarHBondContact O-N 3.04Å
100K80.1Confident75.9Confident111 Ų11199.2 Ų99.248%0.48349%0.488SS..Hα-helixtrans-62.7-44.8176.7-179.1176.4173.3-1790111.9V96 L97 Q98 M103 E104V96-K100 VanDerWaalsContact O-CB 3.24Å; V96-K100 WeakPolarHBondContact O-CB 3.46Å; V96-K100 PolarHBondContact O-N 3.36Å; L97-K100 PolarHBondContact O-N 2.98Å; Q98-K100 VanDerWaalsContact C-N 3.28Å; Q98-K100 PolarHBondContact O-N 3.28Å; K100-M103 PolarHBondContact O-N 2.91Å; K100-E104 WeakPolarHBondContact CE-OE1 3.31Å; K100-E104 IonicContact NZ-OE1 3.9Å; K100-E104 WeakPolarHBondContact O-CB 3.44Å; K100-E104 VanDerWaalsContact O-CG 3.29Å; K100-E104 WeakPolarHBondContact O-CG 3.14Å; K100-E104 PolarHBondContact O-N 3.4Å
101V74.6Confident76.4Confident82 Ų82102.6 Ų102.650%0.49751%0.506SS..Hα-helixtrans-67-41.3179.2172.40000111.2L97 Q98 E104 L105L97-V101 WeakPolarHBondContact O-CG2 3.24Å; L97-V101 PolarHBondContact O-N 3.49Å; Q98-V101 PolarHBondContact O-N 3.45Å; V101-E104 PolarHBondContact O-N 2.86Å; V101-L105 WeakPolarHBondContact O-CB 3.48Å; V101-L105 PolarHBondContact O-N 2.89Å
102E74.4Confident76.9Confident113 Ų113104.7 Ų104.753%0.52851%0.512SS..Hα-helixtrans-62-47175.9-172.5169-161.700111.3Q98 V99 E104 L105 E106Q98-E102 PolarHBondContact O-N 3.28Å; V99-E102 PolarHBondContact O-N 3.35Å; E102-E104 PolarHBondContact O-N 3.49Å; E102-L105 WeakPolarHBondContact O-CB 3.2Å; E102-L105 PolarHBondContact O-N 3.35Å; E102-E106 WeakPolarHBondContact O-CG 3.45Å; E102-E106 PolarHBondContact O-N 3.02Å
103M68.8Low77.3Confident102 Ų102103 Ų10350%0.50251%0.512SS..Hα-helixtrans-61.9-43176.2-172-17885.400112.3V99 K100 L105 E106 I107V99-M103 VanDerWaalsContact O-CB 3.28Å; V99-M103 WeakPolarHBondContact O-CB 3.48Å; V99-M103 PolarHBondContact O-N 3.04Å; K100-M103 PolarHBondContact O-N 2.91Å; M103-L105 VanDerWaalsContact C-N 3.3Å; M103-L105 PolarHBondContact O-N 2.93Å; M103-E106 PolarHBondContact O-N 3.01Å; M103-I107 HydrophobicContact CE-CD1 4.13Å; M103-I107 HydrophobicContact CG-CD1 3.91Å; M103-I107 HydrophobicContact CG-CG1 4.49Å; M103-I107 WeakPolarHBondContact O-CB 3.28Å; M103-I107 VanDerWaalsContact O-CG1 3.24Å; M103-I107 WeakPolarHBondContact O-CG1 3.23Å; M103-I107 PolarHBondContact O-N 3.09Å
104E79.6Confident78.1Confident95 Ų95106.1 Ų106.144%0.44452%0.522SS..Hα-helixtrans-62.9-37.8177.1-77.6176-174.600111.7K100 V101 E102 Q108K100-E104 WeakPolarHBondContact CE-OE1 3.31Å; K100-E104 IonicContact NZ-OE1 3.9Å; K100-E104 WeakPolarHBondContact O-CB 3.44Å; K100-E104 VanDerWaalsContact O-CG 3.29Å; K100-E104 WeakPolarHBondContact O-CG 3.14Å; K100-E104 PolarHBondContact O-N 3.4Å; V101-E104 PolarHBondContact O-N 2.86Å; E102-E104 PolarHBondContact O-N 3.49Å; E104-Q108 WeakPolarHBondContact O-CG 3.41Å; E104-Q108 PolarHBondContact O-N 3.2Å
105L79.6Confident79Confident92 Ų92106.3 Ų106.348%0.48252%0.524SS..Hα-helixtrans-66.6-46.9175.7-170.3161000111.1V101 E102 M103 I107 Q108 Q109V101-L105 WeakPolarHBondContact O-CB 3.48Å; V101-L105 PolarHBondContact O-N 2.89Å; E102-L105 WeakPolarHBondContact O-CB 3.2Å; E102-L105 PolarHBondContact O-N 3.35Å; M103-L105 VanDerWaalsContact C-N 3.3Å; M103-L105 PolarHBondContact O-N 2.93Å; L105-I107 VanDerWaalsContact C-N 3.35Å; L105-I107 PolarHBondContact O-N 3.36Å; L105-Q108 PolarHBondContact O-N 3.24Å; L105-Q109 HydrophobicContact CD2-CG 4.12Å; L105-Q109 VanDerWaalsContact CD2-NE2 3.26Å; L105-Q109 WeakPolarHBondContact O-CG 3.44Å; L105-Q109 PolarHBondContact O-N 3.47Å
106E80.1Confident79.8Confident97 Ų97103.4 Ų103.445%0.45352%0.521SS..Hα-helixtrans-58.5-47176-72.9-174.3170.200111.2E102 M103 Q108 Q109 Y110E102-E106 WeakPolarHBondContact O-CG 3.45Å; E102-E106 PolarHBondContact O-N 3.02Å; M103-E106 PolarHBondContact O-N 3.01Å; E106-Q108 VanDerWaalsContact C-N 3.33Å; E106-Q108 PolarHBondContact O-N 3.16Å; E106-Q109 WeakPolarHBondContact O-CB 3.48Å; E106-Q109 PolarHBondContact O-N 3.38Å; E106-Q109 VanDerWaalsContact O-N 3.09Å; E106-Y110 WeakPolarHBondContact O-CD2 3.17Å; E106-Y110 PolarHBondContact O-N 3.1Å
107I86.8Confident79.7Confident76 Ų76108 Ų10839%0.3953%0.529SS..Hα-helixtrans-58.2-44.9176.9-70.8167.2000110.8M103 L105 Q109 Y110 E111M103-I107 HydrophobicContact CE-CD1 4.13Å; M103-I107 HydrophobicContact CG-CD1 3.91Å; M103-I107 HydrophobicContact CG-CG1 4.49Å; M103-I107 WeakPolarHBondContact O-CB 3.28Å; M103-I107 VanDerWaalsContact O-CG1 3.24Å; M103-I107 WeakPolarHBondContact O-CG1 3.23Å; M103-I107 PolarHBondContact O-N 3.09Å; L105-I107 VanDerWaalsContact C-N 3.35Å; L105-I107 PolarHBondContact O-N 3.36Å; I107-Q109 VanDerWaalsContact C-N 3.28Å; I107-Q109 PolarHBondContact O-N 3.12Å; I107-Y110 PolarHBondContact O-N 3.45Å; I107-Y110 VanDerWaalsContact O-N 3.16Å; I107-E111 HydrophobicContact CG2-CG 4.4Å; I107-E111 WeakPolarHBondContact O-CG 3.28Å; I107-E111 PolarHBondContact O-N 3.35Å
108Q77.7Confident80.5Confident110 Ų110107.8 Ų107.851%0.51453%0.525SS..Hα-helixtrans-62.6-34.3177.1-79.5-168-5.900113.1E104 L105 E106 K112E104-Q108 WeakPolarHBondContact O-CG 3.41Å; E104-Q108 PolarHBondContact O-N 3.2Å; L105-Q108 PolarHBondContact O-N 3.24Å; E106-Q108 VanDerWaalsContact C-N 3.33Å; E106-Q108 PolarHBondContact O-N 3.16Å; Q108-K112 VanDerWaalsContact O-CG 3.28Å; Q108-K112 WeakPolarHBondContact O-CG 3.2Å; Q108-K112 PolarHBondContact O-N 2.99Å
109Q80.6Confident81.4Confident123 Ų123106.3 Ų106.358%0.57552%0.518SS*.Hα-helixtrans-66.4-43.4174.3-70.4-172.94.300111.3L105 E106 I107 K112 A113L105-Q109 HydrophobicContact CD2-CG 4.12Å; L105-Q109 VanDerWaalsContact CD2-NE2 3.26Å; L105-Q109 WeakPolarHBondContact O-CG 3.44Å; L105-Q109 PolarHBondContact O-N 3.47Å; E106-Q109 WeakPolarHBondContact O-CB 3.48Å; E106-Q109 PolarHBondContact O-N 3.38Å; E106-Q109 VanDerWaalsContact O-N 3.09Å; I107-Q109 VanDerWaalsContact C-N 3.28Å; I107-Q109 PolarHBondContact O-N 3.12Å; Q109-K112 PolarHBondContact O-N 3.32Å; Q109-A113 WeakPolarHBondContact O-CB 3.34Å; Q109-A113 PolarHBondContact O-N 2.98Å
110Y76.2Confident82.2Confident178 Ų178107.2 Ų107.270%0.69852%0.516SS*.Hα-helixtrans-62.8-41.5175.4-78.9-71000112.3E106 I107 A113 K114E106-Y110 WeakPolarHBondContact O-CD2 3.17Å; E106-Y110 PolarHBondContact O-N 3.1Å; I107-Y110 PolarHBondContact O-N 3.45Å; I107-Y110 VanDerWaalsContact O-N 3.16Å; Y110-A113 PolarHBondContact O-N 2.87Å; Y110-K114 WeakPolarHBondContact O-CB 3.19Å; Y110-K114 PolarHBondContact O-N 3.45Å
111E87.6Confident82.4Confident124 Ų124107.1 Ų107.158%0.57952%0.521SS*.Hα-helixtrans-62-44.3175.9-75.3-175.7161.900112I107 A113 K114 A115I107-E111 HydrophobicContact CG2-CG 4.4Å; I107-E111 WeakPolarHBondContact O-CG 3.28Å; I107-E111 PolarHBondContact O-N 3.35Å; E111-A113 PolarHBondContact O-N 2.9Å; E111-K114 PolarHBondContact O-N 3.09Å; E111-A115 PolarHBondContact O-N 2.81Å
112K84.5Confident83.2Confident137 Ų137107.9 Ų107.960%0.59652%0.522SS*.Hα-helixtrans-61.5-44.4175.6-73.4171.8-176.3172.30111.8Q108 Q109 K114 A115 V116Q108-K112 VanDerWaalsContact O-CG 3.28Å; Q108-K112 WeakPolarHBondContact O-CG 3.2Å; Q108-K112 PolarHBondContact O-N 2.99Å; Q109-K112 PolarHBondContact O-N 3.32Å; K112-K114 VanDerWaalsContact C-N 3.33Å; K112-K114 PolarHBondContact O-N 3.38Å; K112-A115 PolarHBondContact O-N 3Å; K112-V116 WeakPolarHBondContact O-CG2 3.43Å; K112-V116 PolarHBondContact O-N 2.86Å
113A87Confident84.1Confident57 Ų57109 Ų10947%0.47152%0.521SS..Hα-helixtrans-65.3-37.7177.400000112.2Q109 Y110 E111 R117Q109-A113 WeakPolarHBondContact O-CB 3.34Å; Q109-A113 PolarHBondContact O-N 2.98Å; Y110-A113 PolarHBondContact O-N 2.87Å; E111-A113 PolarHBondContact O-N 2.9Å; A113-R117 PolarHBondContact O-N 3.48Å
114K87.6Confident85.3Confident130 Ų130109.7 Ų109.757%0.56553%0.527SS*.Hα-helixtrans-63-46.7174.3-176.2-169.9170.4-165.30111.1Y110 E111 K112 V116 R117 E118Y110-K114 WeakPolarHBondContact O-CB 3.19Å; Y110-K114 PolarHBondContact O-N 3.45Å; E111-K114 PolarHBondContact O-N 3.09Å; K112-K114 VanDerWaalsContact C-N 3.33Å; K112-K114 PolarHBondContact O-N 3.38Å; K114-V116 VanDerWaalsContact C-N 3.31Å; K114-V116 PolarHBondContact O-N 3.03Å; K114-R117 WeakPolarHBondContact O-CB 3.46Å; K114-R117 PolarHBondContact O-N 2.91Å; K114-R117 VanDerWaalsContact O-N 3.09Å; K114-E118 PolarHBondContact O-N 3.23Å
115A88.8Confident85.9Confident55 Ų55108.1 Ų108.146%0.45552%0.524SS..Hα-helixtrans-58.8-42179.800000112.1E111 K112 R117 E118 E119E111-A115 PolarHBondContact O-N 2.81Å; K112-A115 PolarHBondContact O-N 3Å; A115-R117 VanDerWaalsContact C-N 3.34Å; A115-R117 PolarHBondContact O-N 3.48Å; A115-E118 PolarHBondContact O-N 3.38Å; A115-E119 PolarHBondContact O-N 3.01Å
116V91.3Very high86.6Confident87 Ų87109 Ų10953%0.52753%0.525SS..Hα-helixtrans-62-42.4175.8173.90000111.2K112 K114 E118 E119 Q120K112-V116 WeakPolarHBondContact O-CG2 3.43Å; K112-V116 PolarHBondContact O-N 2.86Å; K114-V116 VanDerWaalsContact C-N 3.31Å; K114-V116 PolarHBondContact O-N 3.03Å; V116-E118 VanDerWaalsContact C-N 3.35Å; V116-E119 PolarHBondContact O-N 3Å; V116-Q120 WeakPolarHBondContact O-CG 3.43Å; V116-Q120 PolarHBondContact O-N 3.38Å; V116-Q120 VanDerWaalsContact O-N 3.12Å
117R73.3Confident87.4Confident184 Ų184108.7 Ų108.769%0.69453%0.526SS*.Hα-helixtrans-65.5-39.6177.6-169.1-169.6-67.2141.3-2.2111.8A113 K114 A115 Q120 L121A113-R117 PolarHBondContact O-N 3.48Å; K114-R117 WeakPolarHBondContact O-CB 3.46Å; K114-R117 PolarHBondContact O-N 2.91Å; K114-R117 VanDerWaalsContact O-N 3.09Å; A115-R117 VanDerWaalsContact C-N 3.34Å; A115-R117 PolarHBondContact O-N 3.48Å; R117-Q120 PolarHBondContact O-N 3.41Å; R117-L121 PolarHBondContact O-N 3.47Å
118E89.1Confident87.6Confident104 Ų104109 Ų10949%0.48653%0.534SS..Hα-helixtrans-64.2-42.4177.5-165.5166.1178.600111K114 A115 V116 Q120 L121 D122K114-E118 PolarHBondContact O-N 3.23Å; A115-E118 PolarHBondContact O-N 3.38Å; V116-E118 VanDerWaalsContact C-N 3.35Å; E118-Q120 VanDerWaalsContact C-N 3.32Å; E118-Q120 PolarHBondContact O-N 3.01Å; E118-L121 WeakPolarHBondContact O-CA 3.2Å; E118-L121 WeakPolarHBondContact O-CB 3.09Å; E118-L121 PolarHBondContact O-N 2.91Å; E118-D122 PolarHBondContact O-N 3.36Å
119E91.9Very high88.4Confident89 Ų89110.2 Ų110.242%0.41654%0.539SS..Hα-helixtrans-61.8-38.7174.4-165.6-168.6159.500112.3A115 V116 L121 D122 R123A115-E119 PolarHBondContact O-N 3.01Å; V116-E119 PolarHBondContact O-N 3Å; E119-L121 VanDerWaalsContact C-N 3.33Å; E119-D122 PolarHBondContact O-N 3.23Å; E119-R123 WeakPolarHBondContact O-CB 3.31Å; E119-R123 VanDerWaalsContact O-CG 3.3Å; E119-R123 WeakPolarHBondContact O-CG 3.3Å; E119-R123 PolarHBondContact O-N 2.72Å; E119-R123 IonicContact OE1-CZ 3.33Å; E119-R123 IonicContact OE1-NE 3.18Å; E119-R123 PolarHBondContact OE1-NE 2.74Å; E119-R123 IonicContact OE1-NH2 2.68Å; E119-R123 PolarHBondContact OE1-NH2 2.91Å
120Q86.6Confident89.1Confident105 Ų105108.9 Ų108.949%0.49153%0.533SS..Hα-helixtrans-64.8-38.4173.9-65.4-54.3-68.600112V116 R117 E118 L124V116-Q120 WeakPolarHBondContact O-CG 3.43Å; V116-Q120 PolarHBondContact O-N 3.38Å; V116-Q120 VanDerWaalsContact O-N 3.12Å; R117-Q120 PolarHBondContact O-N 3.41Å; E118-Q120 VanDerWaalsContact C-N 3.32Å; E118-Q120 PolarHBondContact O-N 3.01Å; Q120-L124 WeakPolarHBondContact O-CB 3.48Å; Q120-L124 PolarHBondContact O-N 3.38Å
121L83.5Confident89.9Confident109 Ų109104.7 Ų104.757%0.57152%0.52SS*.Hα-helixtrans-64.5-42.6176.2-164.6100.1000110.9R117 E118 E119 L124 T125R117-L121 PolarHBondContact O-N 3.47Å; E118-L121 WeakPolarHBondContact O-CA 3.2Å; E118-L121 WeakPolarHBondContact O-CB 3.09Å; E118-L121 PolarHBondContact O-N 2.91Å; E119-L121 VanDerWaalsContact C-N 3.33Å; L121-L124 PolarHBondContact O-N 3.23Å; L121-T125 VanDerWaalsContact O-CB 3.28Å; L121-T125 WeakPolarHBondContact O-CB 3.49Å; L121-T125 PolarHBondContact O-N 2.88Å; L121-T125 PolarHBondContact O-OG1 3.3Å
122D92.9Very high90Very high98 Ų98100.2 Ų100.252%0.52450%0.504SS..Hα-helixtrans-64.9-45.3178.1-76.3-19.7000111.5E118 E119 L124 T125 Q126E118-D122 PolarHBondContact O-N 3.36Å; E119-D122 PolarHBondContact O-N 3.23Å; D122-L124 VanDerWaalsContact C-N 3.33Å; D122-L124 PolarHBondContact O-N 3.38Å; D122-T125 PolarHBondContact O-N 3.41Å; D122-Q126 WeakPolarHBondContact O-CB 3.43Å; D122-Q126 PolarHBondContact O-N 2.87Å
123R93.7Very high90.4Very high137 Ų137100 Ų10052%0.51750%0.503SS..Hα-helixtrans-58.8-45.4175-73.2177.8-175.5-146.84.9111.5E119 Q126 I127E119-R123 WeakPolarHBondContact O-CB 3.31Å; E119-R123 VanDerWaalsContact O-CG 3.3Å; E119-R123 WeakPolarHBondContact O-CG 3.3Å; E119-R123 PolarHBondContact O-N 2.72Å; E119-R123 IonicContact OE1-CZ 3.33Å; E119-R123 IonicContact OE1-NE 3.18Å; E119-R123 PolarHBondContact OE1-NE 2.74Å; E119-R123 IonicContact OE1-NH2 2.68Å; E119-R123 PolarHBondContact OE1-NH2 2.91Å; R123-Q126 PolarHBondContact O-N 3.37Å; R123-I127 VanDerWaalsContact O-CG1 3.3Å; R123-I127 WeakPolarHBondContact O-CG1 3.4Å; R123-I127 PolarHBondContact O-N 2.77Å
124L93.1Very high90.7Very high117 Ų117101.8 Ų101.861%0.61350%0.502SS*.Hα-helixtrans-67-38.8178.1-174.263.4000111.7Q120 L121 D122 Q126 I127 C128Q120-L124 WeakPolarHBondContact O-CB 3.48Å; Q120-L124 PolarHBondContact O-N 3.38Å; L121-L124 PolarHBondContact O-N 3.23Å; D122-L124 VanDerWaalsContact C-N 3.33Å; D122-L124 PolarHBondContact O-N 3.38Å; L124-Q126 VanDerWaalsContact C-N 3.34Å; L124-I127 PolarHBondContact O-N 2.79Å; L124-C128 VanDerWaalsContact O-CB 3.32Å; L124-C128 WeakPolarHBondContact O-CB 3.48Å; L124-C128 PolarHBondContact O-N 3.06Å
125T92.9Very high90.8Very high62 Ų6299.2 Ų99.238%0.3849%0.494SS..Hα-helixtrans-63.2-42.7176.7-61.20000110.8L121 D122 C128 Q129L121-T125 VanDerWaalsContact O-CB 3.28Å; L121-T125 WeakPolarHBondContact O-CB 3.49Å; L121-T125 PolarHBondContact O-N 2.88Å; L121-T125 PolarHBondContact O-OG1 3.3Å; D122-T125 PolarHBondContact O-N 3.41Å; T125-C128 WeakPolarHBondContact O-CB 3.3Å; T125-C128 PolarHBondContact O-N 3.46Å; T125-Q129 WeakPolarHBondContact O-CG 3.26Å; T125-Q129 PolarHBondContact O-N 2.93Å
126Q94.4Very high90.9Very high111 Ų111104.3 Ų104.352%0.51950%0.501SS..Hα-helixtrans-60.3-50.4174.9-176.4-175.4-20.900111.1D122 R123 L124 C128 Q129 E130D122-Q126 WeakPolarHBondContact O-CB 3.43Å; D122-Q126 PolarHBondContact O-N 2.87Å; R123-Q126 PolarHBondContact O-N 3.37Å; L124-Q126 VanDerWaalsContact C-N 3.34Å; Q126-C128 VanDerWaalsContact C-N 3.27Å; Q126-C128 PolarHBondContact O-N 3.32Å; Q126-Q129 PolarHBondContact O-N 3.1Å; Q126-Q129 VanDerWaalsContact O-N 3.1Å; Q126-E130 PolarHBondContact NE2-OE1 3.21Å; Q126-E130 WeakPolarHBondContact O-CG 3.26Å; Q126-E130 PolarHBondContact O-N 3.5Å
127I95.2Very high91Very high90 Ų90104.6 Ų104.646%0.46250%0.497SS..Hα-helixtrans-58.5-42.4177.5-66.6164.1000110.6R123 L124 Q129 E130 Q131R123-I127 VanDerWaalsContact O-CG1 3.3Å; R123-I127 WeakPolarHBondContact O-CG1 3.4Å; R123-I127 PolarHBondContact O-N 2.77Å; L124-I127 PolarHBondContact O-N 2.79Å; I127-Q129 VanDerWaalsContact C-N 3.34Å; I127-Q129 PolarHBondContact O-N 2.94Å; I127-E130 PolarHBondContact O-N 3.31Å; I127-Q131 HydrophobicContact CG2-CG 4.28Å; I127-Q131 WeakPolarHBondContact O-CB 3.41Å; I127-Q131 VanDerWaalsContact O-CG 3.26Å; I127-Q131 WeakPolarHBondContact O-CG 3.21Å; I127-Q131 PolarHBondContact O-N 3.39Å
128C92.8Very high91.9Very high83 Ų83101.2 Ų101.256%0.56149%0.492SS*.Hα-helixtrans-62-41.2177.2-175.10000111.9L124 T125 Q126 A132L124-C128 VanDerWaalsContact O-CB 3.32Å; L124-C128 WeakPolarHBondContact O-CB 3.48Å; L124-C128 PolarHBondContact O-N 3.06Å; T125-C128 WeakPolarHBondContact O-CB 3.3Å; T125-C128 PolarHBondContact O-N 3.46Å; Q126-C128 VanDerWaalsContact C-N 3.27Å; Q126-C128 PolarHBondContact O-N 3.32Å; C128-A132 VanDerWaalsContact O-CB 3.22Å; C128-A132 WeakPolarHBondContact O-CB 3.23Å; C128-A132 PolarHBondContact O-N 3.35Å
129Q94.3Very high91.8Very high134 Ų134104.5 Ų104.563%0.62650%0.5SS*.Hα-helixtrans-66.2-42.8175.9-74.1-1732.100112.4T125 Q126 I127 A132 F133T125-Q129 WeakPolarHBondContact O-CG 3.26Å; T125-Q129 PolarHBondContact O-N 2.93Å; Q126-Q129 PolarHBondContact O-N 3.1Å; Q126-Q129 VanDerWaalsContact O-N 3.1Å; I127-Q129 VanDerWaalsContact C-N 3.34Å; I127-Q129 PolarHBondContact O-N 2.94Å; Q129-A132 PolarHBondContact O-N 3.5Å; Q129-F133 PolarHBondContact O-N 2.92Å
130E93.6Very high91.8Very high95 Ų95102.9 Ų102.944%0.44450%0.502SS..Hα-helixtrans-59.8-50.3175.6-72.7174-17100110.7Q126 I127 A132 F133 E134Q126-E130 PolarHBondContact NE2-OE1 3.21Å; Q126-E130 WeakPolarHBondContact O-CG 3.26Å; Q126-E130 PolarHBondContact O-N 3.5Å; I127-E130 PolarHBondContact O-N 3.31Å; E130-A132 VanDerWaalsContact C-N 3.32Å; E130-A132 PolarHBondContact O-N 3.38Å; E130-F133 WeakPolarHBondContact O-CB 3.31Å; E130-F133 PolarHBondContact O-N 3.01Å; E130-F133 VanDerWaalsContact O-N 3.08Å; E130-E134 PolarHBondContact O-N 3.43Å
131Q93.5Very high91.9Very high91 Ų91103 Ų10343%0.42550%0.502SS..Hα-helixtrans-61.3-39.8176.3-70.2-64.6-68.200112.1I127 F133 E134 I135I127-Q131 HydrophobicContact CG2-CG 4.28Å; I127-Q131 WeakPolarHBondContact O-CB 3.41Å; I127-Q131 VanDerWaalsContact O-CG 3.26Å; I127-Q131 WeakPolarHBondContact O-CG 3.21Å; I127-Q131 PolarHBondContact O-N 3.39Å; Q131-F133 VanDerWaalsContact C-N 3.28Å; Q131-F133 PolarHBondContact O-N 3.38Å; Q131-E134 PolarHBondContact NE2-OE2 3.47Å; Q131-E134 PolarHBondContact O-N 3.27Å; Q131-I135 VanDerWaalsContact O-CG1 3.26Å; Q131-I135 WeakPolarHBondContact O-CG1 3.32Å; Q131-I135 PolarHBondContact O-N 2.84Å
132A89.8Confident92.1Very high30 Ų30103.2 Ų103.225%0.24850%0.503CS..Hα-helixtrans-65.8-31.6175.900000112.4C128 Q129 E130 R136C128-A132 VanDerWaalsContact O-CB 3.22Å; C128-A132 WeakPolarHBondContact O-CB 3.23Å; C128-A132 PolarHBondContact O-N 3.35Å; Q129-A132 PolarHBondContact O-N 3.5Å; E130-A132 VanDerWaalsContact C-N 3.32Å; E130-A132 PolarHBondContact O-N 3.38Å; A132-R136 VanDerWaalsContact O-CG 3.26Å; A132-R136 WeakPolarHBondContact O-CG 3.38Å; A132-R136 PolarHBondContact O-N 2.91Å; A132-R136 PolarHBondContact O-NH1 2.86Å
133F93.8Very high91.8Very high131 Ų131101.4 Ų101.458%0.57550%0.502SS*.Hα-helixtrans-69.7-47.8173179.6-94.6000111.3Q129 E130 Q131 I135 R136 Q137Q129-F133 PolarHBondContact O-N 2.92Å; E130-F133 WeakPolarHBondContact O-CB 3.31Å; E130-F133 PolarHBondContact O-N 3.01Å; E130-F133 VanDerWaalsContact O-N 3.08Å; Q131-F133 VanDerWaalsContact C-N 3.28Å; Q131-F133 PolarHBondContact O-N 3.38Å; F133-I135 VanDerWaalsContact C-N 3.32Å; F133-I135 PolarHBondContact O-N 2.97Å; F133-R136 PolarHBondContact O-N 3.42Å; F133-R136 VanDerWaalsContact O-N 3.1Å; F133-Q137 PolarHBondContact O-N 2.72Å
134E92Very high91.4Very high96 Ų96101.7 Ų101.745%0.44951%0.509SS..Hα-helixtrans-56.8-45.4177-71.2178.5-178.500111.7E130 Q131 R136 Q137 L138E130-E134 PolarHBondContact O-N 3.43Å; Q131-E134 PolarHBondContact NE2-OE2 3.47Å; Q131-E134 PolarHBondContact O-N 3.27Å; E134-R136 VanDerWaalsContact C-N 3.33Å; E134-R136 PolarHBondContact O-N 2.95Å; E134-Q137 PolarHBondContact O-N 2.85Å; E134-L138 WeakPolarHBondContact O-CB 3.2Å; E134-L138 WeakPolarHBondContact O-CG 3.41Å; E134-L138 PolarHBondContact O-N 2.82Å
135I90.9Very high91.1Very high75 Ų75102.1 Ų102.139%0.38551%0.508SS..Hα-helixtrans-61.2-42.7176.9-68.4166.1000111Q131 F133 R139Q131-I135 VanDerWaalsContact O-CG1 3.26Å; Q131-I135 WeakPolarHBondContact O-CG1 3.32Å; Q131-I135 PolarHBondContact O-N 2.84Å; F133-I135 VanDerWaalsContact C-N 3.32Å; F133-I135 PolarHBondContact O-N 2.97Å; I135-R139 HydrophobicContact CG2-CG 4.48Å; I135-R139 VanDerWaalsContact CG2-CZ 3.41Å; I135-R139 WeakPolarHBondContact O-CB 3.41Å; I135-R139 VanDerWaalsContact O-CG 3.27Å; I135-R139 WeakPolarHBondContact O-CG 3.47Å; I135-R139 PolarHBondContact O-N 3.21Å
136R90.4Very high90.7Very high162 Ų162104.3 Ų104.361%0.61152%0.518SS*.Hα-helixtrans-65-41.4177.3-74.7179.7-164.5110.5-5.5111.4A132 F133 E134 R139 A140A132-R136 VanDerWaalsContact O-CG 3.26Å; A132-R136 WeakPolarHBondContact O-CG 3.38Å; A132-R136 PolarHBondContact O-N 2.91Å; A132-R136 PolarHBondContact O-NH1 2.86Å; F133-R136 PolarHBondContact O-N 3.42Å; F133-R136 VanDerWaalsContact O-N 3.1Å; E134-R136 VanDerWaalsContact C-N 3.33Å; E134-R136 PolarHBondContact O-N 2.95Å; R136-R139 PolarHBondContact O-N 2.97Å; R136-A140 PolarHBondContact O-N 2.93Å
137Q92.9Very high90.1Very high94 Ų94105.4 Ų105.444%0.43953%0.526SS..Hα-helixtrans-63.6-48.5177.1-176179.4-6.200111.2F133 E134 R139 A140 H141F133-Q137 PolarHBondContact O-N 2.72Å; E134-Q137 PolarHBondContact O-N 2.85Å; Q137-R139 VanDerWaalsContact C-N 3.32Å; Q137-R139 PolarHBondContact O-N 3Å; Q137-A140 PolarHBondContact O-N 3.45Å; Q137-A140 VanDerWaalsContact O-N 3.15Å; Q137-H141 PolarHBondContact O-CD2 2.97Å; Q137-H141 VanDerWaalsContact O-CD2 3.3Å; Q137-H141 PolarHBondContact O-N 3.46Å
138L93.1Very high89.4Confident113 Ų113106.2 Ų106.259%0.59253%0.532SS*.Hα-helixtrans-60.6-41.2177.1-71.3171.2000111.8E134 A140 H141 L142E134-L138 WeakPolarHBondContact O-CB 3.2Å; E134-L138 WeakPolarHBondContact O-CG 3.41Å; E134-L138 PolarHBondContact O-N 2.82Å; L138-A140 VanDerWaalsContact C-N 3.34Å; L138-A140 PolarHBondContact O-N 2.84Å; L138-H141 PolarHBondContact O-N 2.88Å; L138-L142 WeakPolarHBondContact O-CB 3.17Å; L138-L142 PolarHBondContact O-N 3.31Å
139R87.5Confident88.9Confident172 Ų172107.3 Ų107.365%0.64953%0.531SS*.Hα-helixtrans-62.4-39.3174.4-77.8177.3-179.7151.52.2112.6I135 R136 Q137 A143I135-R139 HydrophobicContact CG2-CG 4.48Å; I135-R139 VanDerWaalsContact CG2-CZ 3.41Å; I135-R139 WeakPolarHBondContact O-CB 3.41Å; I135-R139 VanDerWaalsContact O-CG 3.27Å; I135-R139 WeakPolarHBondContact O-CG 3.47Å; I135-R139 PolarHBondContact O-N 3.21Å; R136-R139 PolarHBondContact O-N 2.97Å; Q137-R139 VanDerWaalsContact C-N 3.32Å; Q137-R139 PolarHBondContact O-N 3Å; R139-A143 WeakPolarHBondContact O-CB 3.42Å; R139-A143 PolarHBondContact O-N 3.33Å
140A90.4Very high88.2Confident56 Ų56104 Ų10446%0.46352%0.52SS..Hα-helixtrans-66.8-43.3175.900000111.8R136 Q137 L138 A143 Q144R136-A140 PolarHBondContact O-N 2.93Å; Q137-A140 PolarHBondContact O-N 3.45Å; Q137-A140 VanDerWaalsContact O-N 3.15Å; L138-A140 VanDerWaalsContact C-N 3.34Å; L138-A140 PolarHBondContact O-N 2.84Å; A140-A143 PolarHBondContact O-N 2.9Å; A140-Q144 WeakPolarHBondContact O-CB 3.4Å; A140-Q144 PolarHBondContact O-N 2.88Å
141H88.8Confident87.4Confident107 Ų107101.9 Ų101.950%0.49552%0.519SS..Hα-helixtrans-61.9-43.1175.5-87.1-107.2000112.2Q137 L138 Q144 Q145Q137-H141 PolarHBondContact O-CD2 2.97Å; Q137-H141 VanDerWaalsContact O-CD2 3.3Å; Q137-H141 PolarHBondContact O-N 3.46Å; L138-H141 PolarHBondContact O-N 2.88Å; H141-Q144 PolarHBondContact O-N 3.2Å; H141-Q145 WeakPolarHBondContact O-CG 3.35Å; H141-Q145 PolarHBondContact O-N 3.27Å
142L87.6Confident86.6Confident114 Ų114103.7 Ų103.760%0.59753%0.527SS*.Hα-helixtrans-61.1-46.8174.4-91.8153.6000111.8L138 Q144 Q145 D146L138-L142 WeakPolarHBondContact O-CB 3.17Å; L138-L142 PolarHBondContact O-N 3.31Å; L142-Q144 VanDerWaalsContact C-N 3.27Å; L142-Q144 PolarHBondContact O-N 3.29Å; L142-Q145 PolarHBondContact O-N 2.82Å; L142-D146 PolarHBondContact O-N 2.99Å
143A87.2Confident86.1Confident60 Ų60110.6 Ų110.650%0.49655%0.547SS..Hα-helixtrans-61.8-36.1177.800000112.3R139 A140 L147R139-A143 WeakPolarHBondContact O-CB 3.42Å; R139-A143 PolarHBondContact O-N 3.33Å; A140-A143 PolarHBondContact O-N 2.9Å; A143-L147 PolarHBondContact O-N 3.46Å; A143-L147 VanDerWaalsContact O-N 3.16Å
144Q85.4Confident85.4Confident143 Ų143110.1 Ų110.167%0.66855%0.546SS*.Hα-helixtrans-70.9-39.8177.8-169171.6-21.400112.2A140 H141 L142 L147 D148A140-Q144 WeakPolarHBondContact O-CB 3.4Å; A140-Q144 PolarHBondContact O-N 2.88Å; H141-Q144 PolarHBondContact O-N 3.2Å; L142-Q144 VanDerWaalsContact C-N 3.27Å; L142-Q144 PolarHBondContact O-N 3.29Å; Q144-L147 PolarHBondContact O-N 2.94Å; Q144-D148 PolarHBondContact O-N 2.98Å; Q144-D148 VanDerWaalsContact O-N 3.09Å
145Q87.3Confident84.6Confident125 Ų125107.8 Ų107.858%0.58454%0.543SS*.Hα-helixtrans-65-39.2174.4-75.5-177.9-26.700112.4H141 L142 L147 D148 L149H141-Q145 WeakPolarHBondContact O-CG 3.35Å; H141-Q145 PolarHBondContact O-N 3.27Å; L142-Q145 PolarHBondContact O-N 2.82Å; Q145-L147 VanDerWaalsContact C-N 3.33Å; Q145-D148 PolarHBondContact O-N 2.78Å; Q145-L149 WeakPolarHBondContact O-CB 3.21Å; Q145-L149 WeakPolarHBondContact O-CG 3.31Å; Q145-L149 PolarHBondContact O-N 3.22Å
146D85.1Confident83.7Confident109 Ų109106.9 Ų106.958%0.58355%0.547SS*.Hα-helixtrans-65.7-39.4178.5-149.227.1000111L142 V150L142-D146 PolarHBondContact O-N 2.99Å; D146-V150 WeakPolarHBondContact O-CB 3.21Å; D146-V150 VanDerWaalsContact O-CG2 3.22Å; D146-V150 WeakPolarHBondContact O-CG2 3.44Å; D146-V150 PolarHBondContact O-N 3.35Å
147L81.3Confident82.7Confident133 Ų133104 Ų10470%0.69654%0.542SS*.Hα-helixtrans-65-39.1174.9-145.180000112.5A143 Q144 Q145 V150 A151A143-L147 PolarHBondContact O-N 3.46Å; A143-L147 VanDerWaalsContact O-N 3.16Å; Q144-L147 PolarHBondContact O-N 2.94Å; Q145-L147 VanDerWaalsContact C-N 3.33Å; L147-V150 PolarHBondContact O-N 2.89Å; L147-A151 WeakPolarHBondContact O-CB 3.47Å; L147-A151 PolarHBondContact O-N 3.07Å
148D81.1Confident81.7Confident108 Ų108106.1 Ų106.158%0.57855%0.552SS**Hα-helixtrans-68.7-43178.6-159.132.1000111.4Q144 Q145 V150 A151 E152Q144-D148 PolarHBondContact O-N 2.98Å; Q144-D148 VanDerWaalsContact O-N 3.09Å; Q145-D148 PolarHBondContact O-N 2.78Å; D148-V150 VanDerWaalsContact C-N 3.34Å; D148-V150 PolarHBondContact O-N 2.67Å; D148-A151 PolarHBondContact O-N 2.93Å; D148-E152 PolarHBondContact O-N 2.93Å
149L80.3Confident80.5Confident106 Ų106106.4 Ų106.456%0.55555%0.553SS**Hα-helixtrans-62.9-39.2173.2-77.3166.6000112.4Q145 R153Q145-L149 WeakPolarHBondContact O-CB 3.21Å; Q145-L149 WeakPolarHBondContact O-CG 3.31Å; Q145-L149 PolarHBondContact O-N 3.22Å; L149-R153 VanDerWaalsContact O-CB 3.27Å; L149-R153 WeakPolarHBondContact O-CB 3.38Å; L149-R153 PolarHBondContact O-N 3.05Å
150V79.8Confident79.2Confident65 Ų65104.9 Ų104.939%0.39455%0.553SS.*Hα-helixtrans-66.1-42.5174.3169.10000110.7D146 L147 D148 R153 E154D146-V150 WeakPolarHBondContact O-CB 3.21Å; D146-V150 VanDerWaalsContact O-CG2 3.22Å; D146-V150 WeakPolarHBondContact O-CG2 3.44Å; D146-V150 PolarHBondContact O-N 3.35Å; L147-V150 PolarHBondContact O-N 2.89Å; D148-V150 VanDerWaalsContact C-N 3.34Å; D148-V150 PolarHBondContact O-N 2.67Å; V150-R153 WeakPolarHBondContact O-CB 3.28Å; V150-R153 PolarHBondContact O-N 3.35Å; V150-E154 WeakPolarHBondContact O-CG 3.28Å; V150-E154 PolarHBondContact O-N 3.29Å
151A78.4Confident77.8Confident50 Ų50108.1 Ų108.141%0.41356%0.558SS.*Hα-helixtrans-64.1-42.2176.900000112.3L147 D148 E154 A155L147-A151 WeakPolarHBondContact O-CB 3.47Å; L147-A151 PolarHBondContact O-N 3.07Å; D148-A151 PolarHBondContact O-N 2.93Å; A151-E154 PolarHBondContact O-N 2.99Å; A151-A155 WeakPolarHBondContact O-CB 3.29Å; A151-A155 PolarHBondContact O-N 3.36Å
152E74.9Confident76.2Confident129 Ų129109.6 Ų109.660%0.60357%0.567SS**Hα-helixtrans-62.8-42.3172.7-78.9-160.1153.700111.8D148 E154 A155 A156D148-E152 PolarHBondContact O-N 2.93Å; E152-E154 VanDerWaalsContact C-N 3.31Å; E152-E154 PolarHBondContact O-N 3.45Å; E152-A155 PolarHBondContact O-N 3.06Å; E152-A156 WeakPolarHBondContact O-CB 3.34Å; E152-A156 PolarHBondContact O-N 3.04Å
153R80.4Confident74.8Confident174 Ų174113 Ų11366%0.65757%0.572SS**Hα-helixtrans-60.9-41.8176.3-174.7-173.8174.6-153.8-1.7111.2L149 V150 M157L149-R153 VanDerWaalsContact O-CB 3.27Å; L149-R153 WeakPolarHBondContact O-CB 3.38Å; L149-R153 PolarHBondContact O-N 3.05Å; V150-R153 WeakPolarHBondContact O-CB 3.28Å; V150-R153 PolarHBondContact O-N 3.35Å; R153-M157 HydrophobicContact CG-CE 4.16Å; R153-M157 WeakPolarHBondContact O-CB 3.2Å; R153-M157 VanDerWaalsContact O-CG 3.31Å; R153-M157 WeakPolarHBondContact O-CG 3.32Å; R153-M157 PolarHBondContact O-N 3.13Å
154E79.1Confident73.4Confident121 Ų121111.6 Ų111.657%0.56556%0.563SS**Hα-helixtrans-67.9-42.1176.4-74.2-174.5173.300112.2V150 A151 E152 A156 M157 Q158V150-E154 WeakPolarHBondContact O-CG 3.28Å; V150-E154 PolarHBondContact O-N 3.29Å; A151-E154 PolarHBondContact O-N 2.99Å; E152-E154 VanDerWaalsContact C-N 3.31Å; E152-E154 PolarHBondContact O-N 3.45Å; E154-A156 VanDerWaalsContact C-N 3.35Å; E154-A156 PolarHBondContact O-N 3.23Å; E154-M157 HydrophobicContact CG-CE 4.06Å; E154-M157 PolarHBondContact O-N 3.48Å; E154-Q158 WeakPolarHBondContact O-CB 3.22Å; E154-Q158 PolarHBondContact O-N 2.82Å
155A73.9Confident72Confident47 Ų47111.9 Ų111.939%0.38856%0.562SS.*Hα-helixtrans-61.3-42.5174.500000111.9A151 E152 Q158 I159A151-A155 WeakPolarHBondContact O-CB 3.29Å; A151-A155 PolarHBondContact O-N 3.36Å; E152-A155 PolarHBondContact O-N 3.06Å; A155-Q158 PolarHBondContact O-N 2.9Å; A155-I159 VanDerWaalsContact O-CG1 3.32Å; A155-I159 WeakPolarHBondContact O-CG1 3.31Å; A155-I159 PolarHBondContact O-N 3.45Å
156A72.4Confident70.4Confident56 Ų56112.9 Ų112.946%0.46357%0.567SS.*Hα-helixtrans-65.2-40.917600000112.3E152 E154 Q158 I159 H160E152-A156 WeakPolarHBondContact O-CB 3.34Å; E152-A156 PolarHBondContact O-N 3.04Å; E154-A156 VanDerWaalsContact C-N 3.35Å; E154-A156 PolarHBondContact O-N 3.23Å; A156-Q158 VanDerWaalsContact C-N 3.29Å; A156-Q158 PolarHBondContact O-N 3.07Å; A156-I159 PolarHBondContact O-N 3.21Å; A156-H160 PolarHBondContact O-N 3.22Å
157M70.5Confident68.7Low101 Ų101111.3 Ų111.350%0.49857%0.565SS.*Hα-helixtrans-64.1-35.4174-75.8-171.4-62.700112.1R153 E154 H160 H161R153-M157 HydrophobicContact CG-CE 4.16Å; R153-M157 WeakPolarHBondContact O-CB 3.2Å; R153-M157 VanDerWaalsContact O-CG 3.31Å; R153-M157 WeakPolarHBondContact O-CG 3.32Å; R153-M157 PolarHBondContact O-N 3.13Å; E154-M157 HydrophobicContact CG-CE 4.06Å; E154-M157 PolarHBondContact O-N 3.48Å; M157-H160 PolarHBondContact O-N 2.89Å; M157-H161 WeakPolarHBondContact O-CB 3.43Å; M157-H161 PolarHBondContact O-N 3.33Å
158Q70.6Confident67.3Low139 Ų139109.5 Ų109.565%0.6556%0.563SS**Hα-helixtrans-70.3-39.4178.8-152.315856.600112E154 A155 A156 H160 H161 M162E154-Q158 WeakPolarHBondContact O-CB 3.22Å; E154-Q158 PolarHBondContact O-N 2.82Å; A155-Q158 PolarHBondContact O-N 2.9Å; A156-Q158 VanDerWaalsContact C-N 3.29Å; A156-Q158 PolarHBondContact O-N 3.07Å; Q158-H160 VanDerWaalsContact C-N 3.34Å; Q158-H161 PolarHBondContact O-N 3.41Å; Q158-M162 WeakPolarHBondContact O-CG 3.45Å; Q158-M162 PolarHBondContact O-N 3.09Å
159I68.5Low65.8Low120 Ų120109.1 Ų109.162%0.61557%0.569SS**Hα-helixtrans-61.4-43.8171.5-66.1164.4000110.5A155 A156 H161 M162 W163A155-I159 VanDerWaalsContact O-CG1 3.32Å; A155-I159 WeakPolarHBondContact O-CG1 3.31Å; A155-I159 PolarHBondContact O-N 3.45Å; A156-I159 PolarHBondContact O-N 3.21Å; I159-H161 PolarHBondContact O-N 2.98Å; I159-M162 PolarHBondContact O-N 3.47Å; I159-W163 PolarHBondContact O-N 3.33Å
160H60.4Low64.2Low140 Ų140113.5 Ų113.565%0.64858%0.584SS**Hα-helixtrans-64.8-38.7177.5-167.4-88.4000112.4A156 M157 Q158 W163 G164A156-H160 PolarHBondContact O-N 3.22Å; M157-H160 PolarHBondContact O-N 2.89Å; Q158-H160 VanDerWaalsContact C-N 3.34Å; H160-W163 PolarHBondContact O-N 3.47Å; H160-G164 PolarHBondContact O-N 3.34Å
161H60.8Low62.5Low124 Ų124118.6 Ų118.657%0.57460%0.603SS**Hα-helixtrans-67.8-35.5176.2-174.6-91.4000112.6M157 Q158 I159 K165M157-H161 WeakPolarHBondContact O-CB 3.43Å; M157-H161 PolarHBondContact O-N 3.33Å; Q158-H161 PolarHBondContact O-N 3.41Å; I159-H161 PolarHBondContact O-N 2.98Å; H161-K165 PolarHBondContact O-N 2.86Å; H161-K165 VanDerWaalsContact O-N 3.12Å
162M56.1Low61Low138 Ų138125.7 Ų125.768%0.6863%0.628SS**Hα-helixtrans-66.2-41172.4-72.5179.762.700112.2Q158 I159 K165 Q166Q158-M162 WeakPolarHBondContact O-CG 3.45Å; Q158-M162 PolarHBondContact O-N 3.09Å; I159-M162 PolarHBondContact O-N 3.47Å; M162-K165 PolarHBondContact O-N 3.04Å; M162-Q166 PolarHBondContact O-N 2.78Å
163W56.5Low59.5Low184 Ų184124.3 Ų124.370%0.69763%0.628SS**Hα-helixtrans-65-43.2175.4-171.1-96.5000112.2I159 H160 K165 Q166 S167I159-W163 PolarHBondContact O-N 3.33Å; H160-W163 PolarHBondContact O-N 3.47Å; W163-K165 PolarHBondContact O-N 3.49Å; W163-Q166 PolarHBondContact O-N 3.4Å; W163-Q166 VanDerWaalsContact O-N 3.11Å; W163-S167 PolarHBondContact O-N 3.16Å; W163-S167 VanDerWaalsContact O-N 3.08Å; W163-S167 PolarHBondContact O-OG 3.39Å
164G58.3Low57.7Low31 Ų31123.8 Ų123.832%0.3264%0.639SS.*Hα-helixtrans-61.6-38.4176.100000113.8H160 Q166 S167 S168H160-G164 PolarHBondContact O-N 3.34Å; G164-Q166 VanDerWaalsContact C-N 3.31Å; G164-Q166 PolarHBondContact O-N 2.98Å; G164-S167 WeakPolarHBondContact CA-OG 3.32Å; G164-S167 PolarHBondContact O-N 3.46Å; G164-S167 PolarHBondContact O-OG 2.73Å; G164-S168 PolarHBondContact O-N 2.85Å
165K56.8Low55.7Low150 Ų150121.6 Ų121.665%0.65265%0.648SS**Hα-helixtrans-66.8-29.2173.3-104.1-172.8173.7-163.20113.4H161 M162 W163 S168H161-K165 PolarHBondContact O-N 2.86Å; H161-K165 VanDerWaalsContact O-N 3.12Å; M162-K165 PolarHBondContact O-N 3.04Å; W163-K165 PolarHBondContact O-N 3.49Å; K165-S168 PolarHBondContact O-OG 3.04Å
166Q53.5Low54.2Low146 Ų146128 Ų12868%0.68268%0.675SS**Hα-helixtrans-76.6-33175.9-138.1179.9-1.500111.5M162 W163 G164M162-Q166 PolarHBondContact O-N 2.78Å; W163-Q166 PolarHBondContact O-N 3.4Å; W163-Q166 VanDerWaalsContact O-N 3.11Å; G164-Q166 VanDerWaalsContact C-N 3.31Å; G164-Q166 PolarHBondContact O-N 2.98Å
167S50.1Low52.2Low76 Ų76130.4 Ų130.453%0.53170%0.695SS.*Hα-helixtrans-74.2-18.5174.457.40000114.8W163 G164 S169 F170W163-S167 PolarHBondContact O-N 3.16Å; W163-S167 VanDerWaalsContact O-N 3.08Å; W163-S167 PolarHBondContact O-OG 3.39Å; G164-S167 WeakPolarHBondContact CA-OG 3.32Å; G164-S167 PolarHBondContact O-N 3.46Å; G164-S167 PolarHBondContact O-OG 2.73Å; S167-S169 PolarHBondContact O-N 3.43Å; S167-F170 PolarHBondContact O-N 3.48Å
168S51.9Low50.5Low94 Ų94130.6 Ų130.666%0.65771%0.712SS**THydrogen-bonded Turntrans-78.72.2176.787.40000114.1G164 K165 F170G164-S168 PolarHBondContact O-N 2.85Å; K165-S168 PolarHBondContact O-OG 3.04Å; S168-F170 VanDerWaalsContact C-N 3.3Å
169S48.5Very low48.7Very low101 Ų101127.5 Ų127.571%0.70672%0.718SS**THydrogen-bonded Turntrans-83.1-4171.1-177.60000113S167S167-S169 PolarHBondContact O-N 3.43Å
170F47.7Very low46.9Very low197 Ų197126.7 Ų126.786%0.86473%0.729SS**SBendtrans-94.198.7169.3-108.1-94.6000109.4S167 S168 E172S167-F170 PolarHBondContact O-N 3.48Å; S168-F170 VanDerWaalsContact C-N 3.3Å; F170-E172 PolarHBondContact O-N 3.08Å
171Q43.8Very low45.7Very low172 Ų172124.8 Ų124.880%0.80473%0.732SS**  trans-74.8106175.4-170.5167.429.400109V173Q171-V173 HydrophobicContact CG-CG2 4.03Å
172E46.7Very low44.5Very low199 Ų199125 Ų12593%0.9374%0.737SS**  trans-78.1117.3166.8-170172.3174.900108.4F170F170-E172 PolarHBondContact O-N 3.08Å
173V42.4Very low43.6Very low101 Ų101126.2 Ų126.261%0.61274%0.74SS**  trans-105.6137.5-177.7170.30000109.5Q171Q171-V173 HydrophobicContact CG-CG2 4.03Å
174D42.3Very low42.6Very low163 Ų163126.5 Ų126.587%0.87275%0.749SS**  trans97.2128.6155.4-91.6-27.8000121.4
175G38.3Very low41.7Very low75 Ų75133.6 Ų133.677%0.77377%0.766SS**  trans147.963.215700000117.5
176L41.1Very low41.1Very low182 Ų182132.3 Ų132.395%0.95377%0.773SS**  trans-66.9137166.1-81.2154.9000112
177A32.1Very low40.1Very low105 Ų105129.3 Ų129.387%0.86877%0.773SS**  177.8150.112300000113.6
178A33.1Very low39.5Very low105 Ų105134 Ų13487%0.86878%0.784SS**  trans-88.9165.1-163.500000115.3
179G32.7Very low38.7Very low74 Ų74137.2 Ų137.276%0.76379%0.792SS**  trans112.5102.1136.100000118.6
180A32.7Very low38.1Very low103 Ų103142.8 Ų142.885%0.85180%0.798SS**  78.313012900000122.6
181S34.8Very low37.6Very low101 Ų101142.1 Ų142.171%0.70680%0.797SS**  trans78.9115.3135.3-122.90000122.2
182D35.6Very low37.5Very low129 Ų129139.8 Ų139.869%0.6980%0.797SS**  trans95.3125.9134-70.9-41.2000123.5
183H37Very low37Very low162 Ų162142 Ų14275%0.7580%0.797SS**  trans59.2104.5145.7-71.7-28.8000120
184H35.3Very low36.7Very low191 Ų191140.1 Ų140.188%0.88480%0.798SS**  -171.8131.7102.3-111.6-82.6000113
185R39.1Very low36.2Very low180 Ų180139 Ų13968%0.67980%0.798SS**  trans-88.7148.3164.7-162-142.8176.5112-8.3107.9
186P43.9Very low36.4Very low122 Ų122141.1 Ų141.179%0.79280%0.796SS**  -145.3173.189.337-17.5000110.7
187A32.8Very low35.9Very low83 Ų83139.7 Ų139.769%0.68679%0.789SS**  cis-152.3145.515.600000108.7
188K37.7Very low36.1Very low175 Ų175142.4 Ų142.476%0.76178%0.783SS**  trans-112116.2170.6-175.3-179.3-172.2-176.90105.7
189I36.1Very low36.3Very low161 Ų161145.7 Ų145.783%0.82678%0.78SS**  trans-116.490.4166.9-70.3170.8000103.7
190R35.1Very low37.1Very low219 Ų219145.9 Ų145.983%0.82678%0.783SS**  59.1101.292.8-163.6164.1-175.5118.1-1.3111.1
191E37.4Very low37.7Very low182 Ų182150.1 Ų150.185%0.8579%0.785SS**  trans-49.3153.6158.9-70.4-176.8149.200111.2
192P42Very low38.8Very low124 Ų124152.4 Ų152.481%0.80579%0.789SS**  trans-123135.2135.433.2-22000112.1
193R35Very low40.3Very low245 Ų245150.8 Ų150.893%0.92578%0.781SS**  trans-60.3127.2160.8175.9179.4178.7153-0.7110.7
194G37.2Very low41.6Very low62 Ų62150.3 Ų150.364%0.63978%0.78SS**  trans61.2116.6144.100000120.3
195T31.2Very low42.5Very low140 Ų140146.3 Ų146.386%0.85977%0.766SS**  -171.3133.4120.821.20000110
196T42.3Very low43.7Very low119 Ų119142 Ų14273%0.7376%0.756SS**  trans-3.4124.5160.347.30000118.9
197D30.5Very low44.4Very low151 Ų151144.2 Ų144.281%0.80775%0.75SS**  -177.6118.5112.8-85.3-24.7000112.4
198H36.6Very low45.6Very low162 Ų162145 Ų14575%0.7574%0.741SS**  trans-6146.3140.3-78.1-43.9000117.9
199H38.1Very low46.7Very low174 Ų174139.4 Ų139.481%0.80672%0.724SS**  cis-174.4152.821.7-115.1106.7000107.9
200G49.8Very low47.8Very low79 Ų79138.4 Ų138.481%0.81472%0.716SS**  trans127.540.9150.900000118.2
201Q43.8Very low48.6Very low192 Ų192137.9 Ų137.990%0.89772%0.716SS**  trans-118.1108.6158.6-157.2165.3-5.400108.5D203Q201-D203 VanDerWaalsContact C-N 3.32Å; Q201-D203 PolarHBondContact O-N 3.27Å
202D58.2Low49.5Very low148 Ų148138.7 Ų138.779%0.79171%0.712SS**  trans-72.482.9-173.4-147.55.8000109M204D202-M204 PolarHBondContact O-N 3.25Å; D202-M204 VanDerWaalsContact O-N 3.11Å
203D67.1Low50Low96 Ų96137.1 Ų137.151%0.51370%0.704SS.*  trans-81.786.4177.4-168.34.8000109.2Q201 N205 N206Q201-D203 VanDerWaalsContact C-N 3.32Å; Q201-D203 PolarHBondContact O-N 3.27Å; D203-N205 PolarHBondContact O-N 3.27Å; D203-N205 WeakPolarHBondContact OD1-CB 3.43Å; D203-N205 PolarHBondContact OD1-N 3.42Å; D203-N206 HydrophobicContact CB-CB 4.37Å; D203-N206 WeakPolarHBondContact O-CB 3.26Å; D203-N206 PolarHBondContact O-N 2.9Å
204M64.4Low50.7Low151 Ų151134 Ų13474%0.74470%0.7SS**Hα-helixtrans-51-22.7172.5-88.7-170.5-70.900112.8D202 N206D202-M204 PolarHBondContact O-N 3.25Å; D202-M204 VanDerWaalsContact O-N 3.11Å; M204-N206 VanDerWaalsContact C-N 3.3Å; M204-N206 PolarHBondContact O-N 2.93Å
205N54.3Low51.2Low108 Ų108136.8 Ų136.858%0.57871%0.707SS**Hα-helixtrans-75-21.5-179.3-140.632.7000112.7D203 S209D203-N205 PolarHBondContact O-N 3.27Å; D203-N205 WeakPolarHBondContact OD1-CB 3.43Å; D203-N205 PolarHBondContact OD1-N 3.42Å; N205-S209 PolarHBondContact O-N 3.03Å; N205-S209 PolarHBondContact O-OG 3.49Å
206N64.7Low51.4Low89 Ų89135.4 Ų135.448%0.47670%0.703SS.*Hα-helixtrans-75.7-36.2178.7-161.4-8.1000111.9D203 M204 I208 S209 Q210D203-N206 HydrophobicContact CB-CB 4.37Å; D203-N206 WeakPolarHBondContact O-CB 3.26Å; D203-N206 PolarHBondContact O-N 2.9Å; M204-N206 VanDerWaalsContact C-N 3.3Å; M204-N206 PolarHBondContact O-N 2.93Å; N206-I208 PolarHBondContact O-N 3.4Å; N206-S209 PolarHBondContact O-N 3.48Å; N206-Q210 PolarHBondContact O-N 3.12Å
207Y57.6Low51.2Low169 Ų169135.4 Ų135.466%0.66371%0.708SS**Hα-helixtrans-65-38.3174.8-94.2-81.4000112.9S209Y207-S209 VanDerWaalsContact C-N 3.34Å
208I57.8Low51.6Low99 Ų99135.5 Ų135.551%0.50871%0.709SS.*Hα-helixtrans-69.3-37.3179.8-61.6170.3000110.3N206 Q210 Y211 Y212N206-I208 PolarHBondContact O-N 3.4Å; I208-Q210 PolarHBondContact O-N 3.03Å; I208-Y211 PolarHBondContact O-N 3.46Å; I208-Y212 HydrophobicContact CG2-CD2 4.23Å; I208-Y212 WeakPolarHBondContact O-CD2 3.27Å; I208-Y212 PolarHBondContact O-N 3.28Å
209S61.7Low51.5Low57 Ų57137 Ų13740%0.39972%0.718SS.*Hα-helixtrans-70.4-30.2-177.7-57.70000113.1N205 N206 Y207 S213N205-S209 PolarHBondContact O-N 3.03Å; N205-S209 PolarHBondContact O-OG 3.49Å; N206-S209 PolarHBondContact O-N 3.48Å; Y207-S209 VanDerWaalsContact C-N 3.34Å; S209-S213 WeakPolarHBondContact O-CB 3.49Å; S209-S213 PolarHBondContact O-N 2.84Å; S209-S213 PolarHBondContact O-OG 3.36Å
210Q59.8Low51.2Low141 Ų141132.1 Ų132.166%0.65971%0.714SS**Hα-helixtrans-73.5-27.1176.8-74.4-179.712.600113.7N206 I208N206-Q210 PolarHBondContact O-N 3.12Å; I208-Q210 PolarHBondContact O-N 3.03Å
211Y50.9Low50.7Low208 Ų208136.4 Ų136.482%0.81672%0.717SS**Hα-helixtrans-87.1-19.6-179-106.4-88.3000114.1I208I208-Y211 PolarHBondContact O-N 3.46Å
212Y57.3Low51.5Low199 Ų199132.5 Ų132.578%0.7871%0.708SS**Hα-helixtrans-113.6-3.6-176.6-74.7-79.9000114.8I208I208-Y212 HydrophobicContact CG2-CD2 4.23Å; I208-Y212 WeakPolarHBondContact O-CD2 3.27Å; I208-Y212 PolarHBondContact O-N 3.28Å
213S52.2Low50.3Low91 Ų91133.1 Ų133.164%0.63671%0.712SS**  trans-105.167-178.6-48.70000113S209S209-S213 WeakPolarHBondContact O-CB 3.49Å; S209-S213 PolarHBondContact O-N 2.84Å; S209-S213 PolarHBondContact O-OG 3.36Å
214E49.2Very low49.3Very low178 Ų178133.7 Ų133.783%0.83272%0.72SS**  trans-137.5124.7146.3-91-155.410700106.3
215P46.9Very low48.4Very low122 Ų122130.9 Ų130.979%0.79272%0.722SS**  -151.1136.668.434.4-13.8000115.7
216S37.3Very low47.7Very low111 Ų111136.3 Ų136.378%0.77673%0.734SS**  trans177.6122.7141.460.30000113.2
217S38Very low46.8Very low118 Ų118138.9 Ų138.983%0.82575%0.753SS**  trans174.684.4135.7-71.60000106.9
218D37.4Very low45.9Very low154 Ų154136.5 Ų136.582%0.82475%0.75SS**  65.397.789.7-166.423.3000114.3
219M35.5Very low45.1Very low194 Ų194137.4 Ų137.496%0.95676%0.76SS**  trans-167.1111.6130.8-130.5156.657.300111.6
220G31.9Very low44.3Very low70 Ų70142 Ų14272%0.72279%0.786SS**  trans124.4110.9152.700000117.8
221I38.6Very low43.6Very low169 Ų169139.5 Ų139.587%0.86779%0.79SS**  trans-77.1179.7-173-23.2178.4000113.4
222P59.9Low43Very low111 Ų111134.3 Ų134.372%0.72179%0.79SS**  -121.3167-107.141.7-23.8000115.1
223D33.7Very low42.3Very low161 Ų161133 Ų13386%0.86179%0.794SS**  trans-170.4153.7134.8-133.320000112.4
224P47.3Very low41.8Very low107 Ų107135.6 Ų135.670%0.69580%0.801SS**  trans-93.6159.9-16038.8-35.4000112.7
225A45.2Very low41.5Very low93 Ų93133.2 Ų133.277%0.76980%0.799SS**  trans114.584.6164.600000113.3
226R38.8Very low41.2Very low222 Ų222136.1 Ų136.184%0.83880%0.801SS**  trans-153.790.9144.1-118.5166.2-140.8-109.23.3111I228R226-I228 HydrophobicContact CB-CD1 4.4Å; R226-I228 HydrophobicContact CB-CG1 4.28Å; R226-I228 HydrophobicContact CG-CD1 4.14Å; R226-I228 HydrophobicContact CG-CG1 4.16Å; R226-I228 PolarHBondContact O-N 2.94Å
227V45.6Very low41.3Very low143 Ų143138.4 Ų138.487%0.86780%0.804SS**  trans-48.8118.4147.3174.10000107.8
228I39.8Very low41.3Very low119 Ų119138.8 Ų138.861%0.6180%0.803SS**  trans-139.596.4164.5-56-177.8000109.2R226R226-I228 HydrophobicContact CB-CD1 4.4Å; R226-I228 HydrophobicContact CB-CG1 4.28Å; R226-I228 HydrophobicContact CG-CD1 4.14Å; R226-I228 HydrophobicContact CG-CG1 4.16Å; R226-I228 PolarHBondContact O-N 2.94Å
229T39.4Very low40.9Very low117 Ų117139 Ų13972%0.71881%0.805SS**  trans9119138.237.10000118.5A231T229-A231 PolarHBondContact O-N 2.94Å
230T46.1Very low40.7Very low153 Ų153136.6 Ų136.694%0.93980%0.795SS**  trans-69.3109.9161.9-50.90000110.4
231A45.1Very low40.8Very low90 Ų90139 Ų13974%0.74480%0.798SS**  trans-146.3131.5164.100000111.2T229T229-A231 PolarHBondContact O-N 2.94Å
232A37.8Very low40.4Very low98 Ų98135.5 Ų135.581%0.8179%0.789SS**  trans67.699.3160.900000118.4
233I42.3Very low39Very low171 Ų171139.2 Ų139.288%0.87780%0.797SS**  trans-87.7102.6154.2-61.2172.4000106.1
234D43Very low39.1Very low147 Ų147139.5 Ų139.579%0.78680%0.797SS**PPolyproline II helixtrans-81.3138.2170.3-168.917.7000109.5
235V42.4Very low38.7Very low128 Ų128139.9 Ų139.978%0.77680%0.8SS**PPolyproline II helixtrans-90.9125.6-169.91750000109.7
236H40.1Very low37.8Very low182 Ų182140.1 Ų140.184%0.84380%0.796SS**PPolyproline II helixtrans-49.6132.5-178.1-74-95.4000115.4
237L39.1Very low37.3Very low160 Ų160135.8 Ų135.884%0.83879%0.794SS**PPolyproline II helixtrans-86.8136.6158.2-165.574.3000109.2
238P38.6Very low36.7Very low125 Ų125136.2 Ų136.281%0.81279%0.791SS**PPolyproline II helixtrans-87.7118.4-179.632.1-28.8000111
239N29.3Very low36.2Very low159 Ų159136.9 Ų136.985%0.8580%0.8SS**  trans-118.8124.7167.8-160.511.7000109.8
240N30Very low35.7Very low143 Ų143136.4 Ų136.477%0.76580%0.801SS**  trans-102.3124.6-175.5-163.7-28000108.5
241P35.2Very low35Very low120 Ų120133.2 Ų133.278%0.77979%0.791SS**  trans-100.2109.4-178.334.7-25.8000110.9
242S30.6Very low34.3Very low96 Ų96136.6 Ų136.667%0.67180%0.797SS**  trans-149.3129154.964.90000110.6
243Q30.4Very low33.9Very low190 Ų190136 Ų13689%0.88879%0.791SS**  trans93.293.1168.3-50-175.614.100116.6
244L36Very low33.3Very low167 Ų167132.2 Ų132.287%0.87479%0.786SS**  trans-81.9152.4146.9-87159.9000108.6
245P37.6Very low33.6Very low115 Ų115130.8 Ų130.875%0.74778%0.784SS**  -141.3145.39433.6-16.9000116.4
246S27.4Very low32.9Very low98 Ų98130.1 Ų130.169%0.68579%0.785SS**  trans40.6126.4136.7-50.40000121.3
247T26.9Very low32.4Very low130 Ų130126 Ų12680%0.79878%0.777SS**  174.7144.2106.235.60000113.8
248L33.5Very low31.9Very low152 Ų152128.9 Ų128.980%0.79678%0.777SS**  trans82.6102.6163.8-47.4-174.3000117.5
249V30.4Very low31.6Very low134 Ų134129.9 Ų129.981%0.81278%0.775SS**  69.8125.778.2167.90000110.3
250S28.1Very low31.5Very low106 Ų106129.4 Ų129.474%0.74177%0.768SS**  cis-168.816518.6-149.70000110.1
251A32.2Very low31.4Very low87 Ų87132 Ų13272%0.71977%0.766SS**  trans71.6134.3146.100000118.4
252D28.6Very low31.1Very low161 Ų161131.7 Ų131.786%0.86176%0.763SS**  cis-156.4154.611.9-140.5-19.5000110.7
253A30.9Very low31Very low85 Ų85132.2 Ų132.270%0.70277%0.766SS**  trans-89.6138.4-178.900000112
254A28.3Very low31Very low92 Ų92127.9 Ų127.976%0.7676%0.757SS**  trans13.5175.113200000121.3
255P49.3Very low30.7Very low116 Ų116124.7 Ų124.775%0.75375%0.749SS**  cis-140.1-164.4-24.725.20.5000113.7
256S29.3Very low30.5Very low114 Ų114125.6 Ų125.680%0.79775%0.752SS**  trans82.7144153.7-93.40000117.1
257S28.4Very low30.7Very low97 Ų97126.4 Ų126.468%0.67876%0.758SS**  cis-174.9158.610.353.40000110.9
258R29.2Very low30.8Very low220 Ų220129.3 Ų129.383%0.8376%0.762SS**  trans68.7110.6131.9-168.8177.9-73.3-117.31.6121.9
259L31.4Very low30.7Very low145 Ų145126.5 Ų126.576%0.75976%0.761SS**  47126.9129.8-91.796.1000123.2
260Q27.7Very low30.7Very low150 Ų150125.3 Ų125.370%0.70176%0.758SS**  84.6125.1126.2-151.7177.940.900118.8
261R27.9Very low30.8Very low196 Ų196125.7 Ų125.774%0.7476%0.756SS**  142.4110.5119-175.5170.4-56.8144.44.7115.6
262T28.6Very low30.7Very low115 Ų115127.8 Ų127.871%0.70676%0.76SS**  trans53.1152.7134.569.80000124.9
263S28.6Very low30.8Very low107 Ų107124.5 Ų124.575%0.74876%0.756SS**  trans90.3137.4146.973.80000115.3
264S30.3Very low31Very low99 Ų99126.8 Ų126.869%0.69276%0.761SS**  cis-174.7126.517.6340000106.9
265S30.3Very low31Very low99 Ų99126.7 Ų126.769%0.69275%0.754SS**  72.8124.699.279.20000117.1
266V32.4Very low30.1Very low134 Ų134131.8 Ų131.881%0.81276%0.758SS**  170.6111.2115.5-820000107.3
267S31.3Very low30Very low116 Ų116130.8 Ų130.881%0.81175%0.752SS**  74.7115.364.6-69.30000115.3
268E30.3Very low30.1Very low191 Ų191129.2 Ų129.289%0.89374%0.74SS**  trans166102.4130.6-91.4179.3172.500107.6
269A30.3Very low30.1Very low93 Ų93128 Ų12877%0.76974%0.741SS**  71.4108.462.200000114.5
270S30.2Very low30.1Very low109 Ų109126 Ų12676%0.76274%0.74SS**  178.8108.5128.5-80.20000111
271T30.4Very low30.2Very low113 Ų113123.1 Ų123.169%0.69374%0.742SS**  9098.3101.760.30000113.3
272T30.7Very low30.3Very low131 Ų131123.3 Ų123.380%0.80474%0.742SS**  90.7117.485.658.90000114.4
273A31.6Very low30.3Very low93 Ų93124 Ų12477%0.76974%0.737SS**  trans168.5101.7131.900000107.7
274V34Very low30.4Very low133 Ų133128.2 Ų128.281%0.80675%0.745SS**  67.497.780175.30000112.7
275S28.4Very low30.2Very low89 Ų89128.1 Ų128.162%0.62274%0.744SS**  159.2119.4112.9-84.40000112.8
276R30.9Very low30.2Very low223 Ų223131.4 Ų131.484%0.84275%0.752SS**  75.4103.5104.2-63.1173.688.3130.45.7112.5
277S27.2Very low30Very low94 Ų94129.9 Ų129.966%0.65775%0.748SS**  62.9128.986.485.80000110.5
278S29.5Very low30Very low63 Ų63128.7 Ų128.744%0.44174%0.739SS.*  cis162.1177.226.825.10000110.1
279F30.2Very low30.2Very low194 Ų194127.4 Ų127.485%0.85173%0.733SS**  trans76.7147.1157.7-30.9-66.6000115.7
280S30.2Very low30.3Very low103 Ų103129.3 Ų129.372%0.7274%0.735SS**  cis-178.8149.4-0.3151.20000107.8
281A31.1Very low30.4Very low90 Ų90133 Ų13374%0.74475%0.745SS**  trans62.3154.3146.900000119.5
282R29.5Very low30.3Very low201 Ų201131.1 Ų131.176%0.75875%0.749SS**  cis178.3138.8-15.4173.2174.7-174.9-177.13.4104.3
283Q29.8Very low30.3Very low128 Ų128130.1 Ų130.160%0.59875%0.747SS**  trans63.3125.7155.8-73.1166.6-21.900119.7
284H29.3Very low30.2Very low197 Ų197130.2 Ų130.291%0.91274%0.742SS**  -163.7150.2106.3-88.8-71.2000109.6
285S27.1Very low30.4Very low97 Ų97131.8 Ų131.868%0.67874%0.742SS**  trans-107.1158.3-154.2-52.40000114.5
286I30.2Very low30.4Very low167 Ų167134.2 Ų134.286%0.85675%0.748SS**  trans70.7110.9149.8-53.4141.4000118.6
287S28.3Very low30.3Very low102 Ų102129 Ų12971%0.71375%0.745SS**  178.5136.8112.5177.70000110.4
288S31.7Very low30.4Very low91 Ų91130.4 Ų130.464%0.63676%0.755SS**  trans-43.1161.2175.9-48.50000113.4
289H32.9Very low30.3Very low165 Ų165132.6 Ų132.676%0.76477%0.77SS**  cis-165.4141.449.7-38.8-92.4000110.2
290T33.6Very low30.3Very low132 Ų132130.1 Ų130.181%0.8177%0.771SS**  trans10.7113.8154.868.40000121.1
291L31.2Very low30.4Very low186 Ų186131.6 Ų131.697%0.97478%0.776SS**  trans-164.5145.4150.1-148.778.3000112.7
292G28.9Very low30.4Very low74 Ų74137.4 Ų137.476%0.76378%0.778SS**  trans108.7132.916400000113.2
293S31Very low30.5Very low110 Ų110136.1 Ų136.177%0.76978%0.781SS**  cis-160141.927.949.60000108.9
294S30.2Very low30.3Very low95 Ų95134.9 Ų134.966%0.66479%0.793SS**  60.6125.871.2-155.10000111.2
295M37.5Very low30.4Very low166 Ų166131.1 Ų131.182%0.81879%0.788SS**  cis-158.5137.248.5-76.5158.15400108.3
296D28.5Very low30.5Very low140 Ų140132.9 Ų132.975%0.74980%0.795SS**  74.910373.2-72.9-28.3000117.3
297C28.9Very low30.5Very low113 Ų113130.7 Ų130.776%0.76480%0.795SS**  trans0.6135.6137-360000118.9
298S28.2Very low30.6Very low124 Ų124131.6 Ų131.687%0.86780%0.796SS**  -175.7139.3119.6-83.50000113
299S28.7Very low30.4Very low109 Ų109135 Ų13576%0.76281%0.807SS**  trans-80151.1170.177.10000111.6
300T30.2Very low30.3Very low143 Ų143137 Ų13788%0.87781%0.81SS**  trans-145.7125.7145.549.10000111.3
301V31.2Very low30.3Very low134 Ų134136.9 Ų136.981%0.81281%0.814SS**  trans-78.4132.7160.9162.40000108.4
302R31.5Very low30.3Very low212 Ų212134.7 Ų134.780%0.880%0.803SS**  trans-174.3128.2132.9-111.3-171.6-98.7-155.6-4.3114.7
303E30.8Very low30.3Very low174 Ų174140.2 Ų140.281%0.81381%0.809SS**  trans48.9115.9134.2-67.8172.2153.200120.2
304A27.2Very low30.3Very low102 Ų102144.5 Ų144.584%0.84381%0.809SS**  trans-123.5126.7161.200000110.5
305S30.1Very low30.3Very low118 Ų118146.1 Ų146.183%0.82582%0.818SS**  trans-162.3125.1167.2-80.30000101.9
306T30.1Very low30.2Very low134 Ų134147.5 Ų147.582%0.82282%0.816SS**  cis-170.9142.83033.20000105.9
307S30.3Very low31Very low120 Ų120146.2 Ų146.284%0.83982%0.815SS**  trans-173.4118.3134.759.60000111.2
308T30.2Very low31.4Very low122 Ų122146.2 Ų146.275%0.74881%0.814SS**  trans-54.5134.2162.9-40.20000111.4
309D28.3Very low31.9Very low162 Ų162146 Ų14687%0.86681%0.809SS**  trans-154.3139.7133.9-133.7-16.5000112.7
310Y29.9Very low32Very low208 Ų208152 Ų15282%0.81682%0.817SS**  trans-79135.9-177.9-98.2-103.4000110.3
311S34.4Very low32Very low129 Ų129150.7 Ų150.790%0.90281%0.813SS**  trans-162.4130.9141.2-83.90000112.3
312D29.8Very low32Very low140 Ų140148.9 Ų148.975%0.74981%0.807SS**  trans-79.7118.4-172-171.36.7000110.8
313Q29.1Very low32.2Very low190 Ų190144.7 Ų144.789%0.88881%0.807SS**  trans-151.9122.7162.5-137.6100.398.600111.9
314R31.5Very low32.2Very low200 Ų200144.3 Ų144.376%0.75581%0.81SS**  trans-60.6133.3-175.1-59.8-167.9-179.9177.12.5113.4
315C30.5Very low32.5Very low129 Ų129143.7 Ų143.787%0.87281%0.805SS**  trans-134.2119.5153.4-860000109.9
316Y35.3Very low32.5Very low194 Ų194146.6 Ų146.676%0.76181%0.81SS**PPolyproline II helixtrans-64.1142.9172.5-74.4-95000111.1
317P44.4Very low32.4Very low113 Ų113143.4 Ų143.473%0.73480%0.804SS**PPolyproline II helixtrans-83.3143.716632.5-30000110.6
318P38.1Very low32.9Very low114 Ų114143.8 Ų143.874%0.7480%0.803SS**PPolyproline II helixtrans-76.6152.417131-30.8000111.1
319P38.6Very low32.9Very low118 Ų118146.7 Ų146.777%0.76681%0.808SS**PPolyproline II helixtrans-84133-162.932.4-32.9000112.7S321P319-S321 PolarHBondContact O-N 3.01Å
320Y30.5Very low33.2Very low236 Ų236143.9 Ų143.993%0.92580%0.799SS**PPolyproline II helixtrans-66.5123.2158.4-90.4-95.7000109.1
321S29.8Very low33.6Very low115 Ų115146.3 Ų146.380%0.80481%0.807SS**  trans-99.2113164.4-64.30000108.6P319P319-S321 PolarHBondContact O-N 3.01Å
322S30.8Very low33.5Very low97 Ų97143.7 Ų143.768%0.67880%0.801SS**  trans-104.5146.2155.9-164.50000107.1
323P35.6Very low33.8Very low123 Ų123141 Ų14180%0.79979%0.792SS**  trans-132.8121.6130.631.2-17.9000111.5
324L31Very low34.5Very low166 Ų166137.5 Ų137.587%0.86979%0.786SS**  trans-79123.6151.9-106.389.4000108.6
325A33.5Very low35.3Very low90 Ų90131.6 Ų131.674%0.74478%0.775SS**  trans-170.297.1142.500000110.3
326L31.1Very low36Very low178 Ų178130 Ų13093%0.93276%0.762SS**  trans-174.7119.2139.2-129.469.7000112.4
327G28.2Very low36.7Very low67 Ų67125.5 Ų125.569%0.69175%0.754SS**  trans73134.3132.800000120.6
328P39.3Very low37.1Very low128 Ų128124.3 Ų124.383%0.83175%0.745SS**  trans-76.9132.1172.932.9-29.8000110.1
329Q30.4Very low37.7Very low183 Ų183124.8 Ų124.886%0.85574%0.737SS**  trans-125.4142.7165.6-89.7-74.576.500110.8
330P34.6Very low38.2Very low103 Ų103126.2 Ų126.267%0.66973%0.734SS**  trans-84.3155.2-165.834.5-34.9000112.8G332P330-G332 PolarHBondContact O-N 2.71Å
331R39.4Very low38.8Very low259 Ų259120.8 Ų120.898%0.97772%0.72SS**  trans-42.6126.3163.2-89.5178164.7173.7-5.5112
332G32.7Very low39.4Very low75 Ų75120.8 Ų120.877%0.77371%0.711SS**  trans-136.5115.2159.700000109.2P330P330-G332 PolarHBondContact O-N 2.71Å
333S36.3Very low39.5Very low82 Ų82125 Ų12557%0.57371%0.713SS**  trans-64.4146.5-178.648.30000113.4S335S333-S335 PolarHBondContact O-N 3.02Å
334P43.8Very low39.5Very low118 Ų118124 Ų12477%0.76671%0.709SS**THydrogen-bonded Turntrans-75.311.5177.631-34.7000114.7
335S47.3Very low39.7Very low75 Ų75123.5 Ų123.552%0.52471%0.706SS.*Hα-helixtrans-84.9-17.8-171.9-170.90000114.6S333S333-S335 PolarHBondContact O-N 3.02Å
336T45.6Very low39.9Very low96 Ų96123.8 Ų123.859%0.58970%0.703SS**Hα-helixtrans-82.8-32.8-173.22.70000113V338 Q339 E340T336-V338 VanDerWaalsContact C-N 3.34Å; T336-V338 PolarHBondContact O-N 3.42Å; T336-Q339 PolarHBondContact O-N 3.43Å; T336-E340 PolarHBondContact O-N 3.36Å
337V49Very low40.5Very low99 Ų99123.9 Ų123.960%0.670%0.698SS**Hα-helixtrans-72.4-31.2-178.5-171.10000111.4L341V337-L341 WeakPolarHBondContact O-CG 3.34Å; V337-L341 PolarHBondContact O-N 2.88Å
338V54.5Low40.7Very low88 Ų88128.4 Ų128.453%0.53371%0.707SS.*Hα-helixtrans-75.7-30.9177.1-177.50000111.4T336 L342T336-V338 VanDerWaalsContact C-N 3.34Å; T336-V338 PolarHBondContact O-N 3.42Å; V338-L342 HydrophobicContact CG1-CD1 4.2Å; V338-L342 WeakPolarHBondContact O-CG 3.4Å; V338-L342 PolarHBondContact O-N 3.49Å
339Q49.8Very low40.5Very low125 Ų125127.7 Ų127.758%0.58471%0.705SS**Hα-helixtrans-76.3-30.4179.3-130.9165.724.500112.7T336 L342 Y343T336-Q339 PolarHBondContact O-N 3.43Å; Q339-L342 PolarHBondContact O-N 3.05Å; Q339-Y343 PolarHBondContact O-N 2.91Å; Q339-Y343 VanDerWaalsContact O-N 3.1Å
340E48.3Very low40.6Very low148 Ų148124.7 Ų124.769%0.69270%0.703SS**Hα-helixtrans-71.4-37174.5-127.5-167.1-177.600112.6T336 L342 Y343 S344T336-E340 PolarHBondContact O-N 3.36Å; E340-L342 VanDerWaalsContact C-N 3.31Å; E340-L342 PolarHBondContact O-N 2.78Å; E340-Y343 PolarHBondContact O-N 3.09Å; E340-S344 PolarHBondContact O-N 3.21Å; E340-S344 PolarHBondContact O-OG 3.43Å
341L44.8Very low40.4Very low121 Ų121128 Ų12863%0.63471%0.714SS**Hα-helixtrans-71.2-26.4176-68.4174.5000112.8V337V337-L341 WeakPolarHBondContact O-CG 3.34Å; V337-L341 PolarHBondContact O-N 2.88Å
342L41.9Very low39.9Very low116 Ų116122.3 Ų122.361%0.60771%0.708SS**Hα-helixtrans-84.3-25.8175-69.7174000113.1V338 Q339 E340V338-L342 HydrophobicContact CG1-CD1 4.2Å; V338-L342 WeakPolarHBondContact O-CG 3.4Å; V338-L342 PolarHBondContact O-N 3.49Å; Q339-L342 PolarHBondContact O-N 3.05Å; E340-L342 VanDerWaalsContact C-N 3.31Å; E340-L342 PolarHBondContact O-N 2.78Å
343Y33.3Very low39.8Very low186 Ų186127.3 Ų127.373%0.72971%0.711SS**Hα-helixtrans-73.6-27.9174.9-111.9-93.2000113.2Q339 E340 L345Q339-Y343 PolarHBondContact O-N 2.91Å; Q339-Y343 VanDerWaalsContact O-N 3.1Å; E340-Y343 PolarHBondContact O-N 3.09Å; Y343-L345 VanDerWaalsContact C-N 3.3Å; Y343-L345 PolarHBondContact O-N 2.93Å
344S34.7Very low39.4Very low101 Ų101132.9 Ų132.971%0.70673%0.725SS**THydrogen-bonded Turntrans-80-4.1-179.7-63.90000114.8E340E340-S344 PolarHBondContact O-N 3.21Å; E340-S344 PolarHBondContact O-OG 3.43Å
345L36.1Very low38.6Very low155 Ų155130.4 Ų130.481%0.81272%0.721SS**THydrogen-bonded Turntrans-108.85.1176.9-76.4168.2000113.5Y343Y343-L345 VanDerWaalsContact C-N 3.3Å; Y343-L345 PolarHBondContact O-N 2.93Å
346S37.5Very low37.8Very low97 Ų97135.4 Ų135.468%0.67874%0.741SS**SBendtrans-100.9-1.8-176.4-172.90000114.9
347E42.3Very low37Very low179 Ų179137.7 Ų137.784%0.83675%0.75SS**SBendtrans-103.517.8-172.7-85.7-164.2121.300116.2
348D34Very low37Very low162 Ų162138.1 Ų138.187%0.86676%0.755SS**  trans-120.967.5171.9-84-41.9000111.9
349S35.1Very low36Very low114 Ų114139.5 Ų139.580%0.79776%0.763SS**  trans-163.282.3159.2-92.50000112.3
350C30.9Very low34.9Very low120 Ų120140.1 Ų140.181%0.81177%0.77SS**  trans-176.2123.5139.837.70000109.4
351L30.7Very low34.1Very low173 Ų173141.1 Ų141.191%0.90678%0.78SS**  165.488.9129.6-83.6178.6000110.1
352T29.8Very low33.3Very low139 Ų139144.5 Ų144.585%0.85379%0.789SS**  trans-129.6102.8151.126.40000108.2
353Q29.7Very low33.5Very low180 Ų180143.6 Ų143.684%0.84179%0.79SS**  trans-176.4125132.1-109.9-177.813.500113.5
354K29Very low34.1Very low198 Ų198140.6 Ų140.686%0.86179%0.794SS**  78114.5128.4-152.9168-173.1177.60118.6
355G25.4Very low33.7Very low67 Ų67140.9 Ų140.969%0.69180%0.796SS**  trans166.989.1157.700000116.2
356L31.2Very low33.9Very low179 Ų179139.3 Ų139.394%0.93780%0.795SS**  trans59.9118.8140.4-61.6162.3000121.1
357D29.8Very low33.6Very low145 Ų145141.6 Ų141.678%0.77581%0.805SS**  trans-70.7157.9149.5-148.815.6000108.9
358P49.1Very low32.9Very low108 Ų108136.4 Ų136.470%0.70180%0.8SS**  -147.3168.954.533.2-9.2000116.8
359V32Very low32.7Very low117 Ų117133.9 Ų133.971%0.70979%0.794SS**  162.4118.5123.2163.40000112.6
360N27.9Very low32.5Very low137 Ų137134.3 Ų134.373%0.73379%0.792SS**  trans18.9131.5146.6-68.7-88.9000119.3
361L30.2Very low33.1Very low170 Ų170138.8 Ų138.889%0.8980%0.798SS**  -162.5150.370-78.5163.8000112.8
362K28.8Very low33.3Very low191 Ų191137.2 Ų137.283%0.8380%0.796SS**  trans-101.7175.3177-161.846-177.8-171.70108.7
363P47.1Very low33.7Very low97 Ų97134.8 Ų134.863%0.6379%0.785SS**  -113.9-161.7-101.642.9-20.1000111.9
364P44.1Very low34.3Very low124 Ų124131 Ų13181%0.80578%0.776SS**  -143.7167.568.232.9-10.3000116.2
365S27.9Very low35.3Very low107 Ų107126.5 Ų126.575%0.74876%0.758SS**  trans-70.9169.3173.2-44.50000113.2
366P40.2Very low36.3Very low122 Ų122129.9 Ų129.979%0.79276%0.759SS**  -141.613993.934.6-18.1000116.1
367T30.5Very low37.1Very low144 Ų144128.6 Ų128.688%0.88375%0.748SS**  trans29.8118.2139.3-40.10000120.9
368G28Very low37.9Very low71 Ų71129.4 Ų129.473%0.73274%0.741SS**  trans164.991.8153.600000117
369S30Very low38.1Very low108 Ų108132.7 Ų132.776%0.75574%0.739SS**  trans73.1127.7143.5-154.50000122.3
370T30.8Very low39.1Very low123 Ų123132.8 Ų132.876%0.75574%0.735SS**  trans70.298.3145.835.20000120.1T372T370-T372 PolarHBondContact O-N 3.4Å
371K43.3Very low40.6Very low214 Ų214131.4 Ų131.493%0.9373%0.728SS**  trans-17.2115.4149.7-58.2174.7178173.70115.4
372T34.1Very low42.1Very low140 Ų140128.5 Ų128.586%0.85971%0.712SS**  trans-140138.5150.252.70000109.8T370T370-T372 PolarHBondContact O-N 3.4Å
373S37.8Very low43Very low89 Ų89128.2 Ų128.262%0.62271%0.707SS**  trans-79.4135-165.8-178.40000112.4E375S373-E375 PolarHBondContact O-N 3.37Å; S373-E375 VanDerWaalsContact O-N 3.09Å
374P44.3Very low43Very low100 Ų100127.8 Ų127.865%0.64970%0.699SS**Hα-helixtrans-73.42.3-172.929.4-35000115.4
375E48.8Very low43.5Very low103 Ų103127.9 Ų127.948%0.48169%0.687SS.*Hα-helixtrans-85.6-29.4-177.4-170.858.9-15600112.9S373 R379S373-E375 PolarHBondContact O-N 3.37Å; S373-E375 VanDerWaalsContact O-N 3.09Å; E375-R379 PolarHBondContact O-N 2.97Å
376L45.8Very low44.5Very low138 Ų138132 Ų13272%0.72369%0.686SS**Hα-helixtrans-76.9-35.7-176.6-155.484.6000112.1R379 L380L376-R379 PolarHBondContact O-N 2.79Å; L376-L380 WeakPolarHBondContact O-CB 3.33Å; L376-L380 PolarHBondContact O-N 3.13Å; L376-L380 VanDerWaalsContact O-N 3.11Å
377E48.9Very low44.5Very low152 Ų152130.5 Ų130.571%0.7167%0.671SS**Hα-helixtrans-68.4-36-180-166.6169.4-169.200111.5N381E377-N381 VanDerWaalsContact O-CB 3.27Å; E377-N381 WeakPolarHBondContact O-CB 3.5Å; E377-N381 PolarHBondContact O-N 3.02Å
378R46.3Very low45.3Very low162 Ų162129.3 Ų129.361%0.61166%0.656SS**Hα-helixtrans-67.2-41.9176.2-166.8-175.3-65.8177.4-0.6112.1N381 I382R378-N381 PolarHBondContact O-N 3Å; R378-I382 HydrophobicContact CG-CD1 4.24Å; R378-I382 WeakPolarHBondContact O-CD1 3.43Å; R378-I382 VanDerWaalsContact O-CG1 3.25Å; R378-I382 WeakPolarHBondContact O-CG1 3.21Å; R378-I382 PolarHBondContact O-N 2.96Å; R378-I382 VanDerWaalsContact O-N 3.12Å
379R53.7Low46.2Very low177 Ų177131.3 Ų131.367%0.66865%0.646SS**Hα-helixtrans-69.4-36.6179.1-70.8179.572170.81.6112.4E375 L376 Y383E375-R379 PolarHBondContact O-N 2.97Å; L376-R379 PolarHBondContact O-N 2.79Å; R379-Y383 PolarHBondContact O-N 2.89Å
380L53.3Low46.7Very low120 Ų120129.6 Ų129.663%0.62863%0.634SS**Hα-helixtrans-72.9-34.7177.1-161.5132.2000112L376 Y383 N384L376-L380 WeakPolarHBondContact O-CB 3.33Å; L376-L380 PolarHBondContact O-N 3.13Å; L376-L380 VanDerWaalsContact O-N 3.11Å; L380-Y383 PolarHBondContact O-N 3.43Å; L380-N384 WeakPolarHBondContact O-CB 3.25Å; L380-N384 PolarHBondContact O-N 3.34Å
381N58.3Low47.1Very low108 Ų108133.4 Ų133.458%0.57864%0.635SS**Hα-helixtrans-69.1-36.8176.3-155.6-17.4000112.2E377 R378 Y383 N384 K385E377-N381 VanDerWaalsContact O-CB 3.27Å; E377-N381 WeakPolarHBondContact O-CB 3.5Å; E377-N381 PolarHBondContact O-N 3.02Å; R378-N381 PolarHBondContact O-N 3Å; N381-Y383 PolarHBondContact O-N 2.69Å; N381-N384 PolarHBondContact O-N 2.99Å; N381-K385 WeakPolarHBondContact O-CB 3.48Å; N381-K385 PolarHBondContact O-N 3.38Å
382I62.3Low47Very low109 Ų109129.9 Ų129.956%0.55963%0.625SS**Hα-helixtrans-64.6-39.9173.6-67.4163000111.4R378 R386R378-I382 HydrophobicContact CG-CD1 4.24Å; R378-I382 WeakPolarHBondContact O-CD1 3.43Å; R378-I382 VanDerWaalsContact O-CG1 3.25Å; R378-I382 WeakPolarHBondContact O-CG1 3.21Å; R378-I382 PolarHBondContact O-N 2.96Å; R378-I382 VanDerWaalsContact O-N 3.12Å; I382-R386 PolarHBondContact O-N 3.22Å
383Y47.2Very low47.3Very low184 Ų184126.4 Ų126.472%0.72262%0.617SS**Hα-helixtrans-72-34.4178.9-144.3-88.8000112.4R379 L380 N381 N387R379-Y383 PolarHBondContact O-N 2.89Å; L380-Y383 PolarHBondContact O-N 3.43Å; N381-Y383 PolarHBondContact O-N 2.69Å; Y383-N387 PolarHBondContact O-N 3.03Å
384N47.9Very low47.4Very low88 Ų88129 Ų12947%0.47162%0.623SS.*Hα-helixtrans-73.2-39.7176.5-158.4-19.5000112L380 N381 R386 N387 Q388L380-N384 WeakPolarHBondContact O-CB 3.25Å; L380-N384 PolarHBondContact O-N 3.34Å; N381-N384 PolarHBondContact O-N 2.99Å; N384-R386 PolarHBondContact O-N 3.03Å; N384-N387 PolarHBondContact O-N 3.03Å; N384-Q388 PolarHBondContact O-N 3.49Å; N384-Q388 VanDerWaalsContact O-N 3.1Å
385K53.3Low46.7Very low127 Ų127132 Ų13255%0.55263%0.628SS**Hα-helixtrans-61.4-42.5175.8-171.4179.7177-171.50112.3N381 N387 Q388 E389N381-K385 WeakPolarHBondContact O-CB 3.48Å; N381-K385 PolarHBondContact O-N 3.38Å; K385-N387 PolarHBondContact O-N 3.27Å; K385-Q388 PolarHBondContact O-N 2.81Å; K385-Q388 VanDerWaalsContact O-N 3.16Å; K385-E389 WeakPolarHBondContact CE-OE1 3.23Å; K385-E389 PolarHBondContact O-N 3.03Å; K385-E389 VanDerWaalsContact O-N 3.11Å
386R49.2Very low46.2Very low192 Ų192131.7 Ų131.773%0.72564%0.637SS**Hα-helixtrans-65.8-26.4177.4-161.3173.4-169.8153.72.9113.1I382 N384 S390I382-R386 PolarHBondContact O-N 3.22Å; N384-R386 PolarHBondContact O-N 3.03Å; R386-S390 PolarHBondContact O-N 3.44Å
387N41.7Very low45.4Very low91 Ų91133.4 Ų133.449%0.48764%0.639SS.*Hα-helixtrans-87-15.4177-137.91.9000113.2Y383 N384 K385 S390 R391Y383-N387 PolarHBondContact O-N 3.03Å; N384-N387 PolarHBondContact O-N 3.03Å; K385-N387 PolarHBondContact O-N 3.27Å; N387-S390 PolarHBondContact O-OG 3.27Å; N387-S390 VanDerWaalsContact O-OG 3.05Å; N387-S390 PolarHBondContact OD1-OG 3.42Å; N387-R391 WeakPolarHBondContact O-CG 3.46Å
388Q46.8Very low44.9Very low119 Ų119131.9 Ų131.956%0.55664%0.642SS**Hα-helixtrans-81.3-38167.6-74-177.515.200111.3N384 K385 S390 R391 I392N384-Q388 PolarHBondContact O-N 3.49Å; N384-Q388 VanDerWaalsContact O-N 3.1Å; K385-Q388 PolarHBondContact O-N 2.81Å; K385-Q388 VanDerWaalsContact O-N 3.16Å; Q388-S390 VanDerWaalsContact C-N 3.31Å; Q388-S390 PolarHBondContact O-N 3.44Å; Q388-R391 PolarHBondContact O-N 3.2Å; Q388-I392 WeakPolarHBondContact O-CD1 3.48Å; Q388-I392 WeakPolarHBondContact O-CG1 3.43Å; Q388-I392 PolarHBondContact O-N 3.24Å
389E45.9Very low44.1Very low113 Ų113129.9 Ų129.953%0.52865%0.648SS.*Hα-helixtrans-64-34.3175-73.7166.4-17600112.3K385 R391 I392K385-E389 WeakPolarHBondContact CE-OE1 3.23Å; K385-E389 PolarHBondContact O-N 3.03Å; K385-E389 VanDerWaalsContact O-N 3.11Å; E389-R391 PolarHBondContact O-N 2.96Å; E389-I392 PolarHBondContact O-N 3.32Å
390S40.4Very low43.2Very low73 Ų73129.2 Ų129.251%0.5166%0.656SS.*THydrogen-bonded Turntrans-70.9-16.4173.268.20000114R386 N387 Q388R386-S390 PolarHBondContact O-N 3.44Å; N387-S390 PolarHBondContact O-OG 3.27Å; N387-S390 VanDerWaalsContact O-OG 3.05Å; N387-S390 PolarHBondContact OD1-OG 3.42Å; Q388-S390 VanDerWaalsContact C-N 3.31Å; Q388-S390 PolarHBondContact O-N 3.44Å
391R40.9Very low41.9Very low203 Ų203131.6 Ų131.677%0.76666%0.663SS**THydrogen-bonded Turntrans-98.2-10.6178.7-75.5-176.3168.6-169.1-2.6114.2N387 Q388 E389 G393N387-R391 WeakPolarHBondContact O-CG 3.46Å; Q388-R391 PolarHBondContact O-N 3.2Å; E389-R391 PolarHBondContact O-N 2.96Å; R391-G393 VanDerWaalsContact C-N 3.32Å
392I40.5Very low40.7Very low139 Ų139133.2 Ų133.271%0.71367%0.671SS**THydrogen-bonded Turntrans-83-11.7177.1-66.1160.4000111.7Q388 E389Q388-I392 WeakPolarHBondContact O-CD1 3.48Å; Q388-I392 WeakPolarHBondContact O-CG1 3.43Å; Q388-I392 PolarHBondContact O-N 3.24Å; E389-I392 PolarHBondContact O-N 3.32Å
393G41.2Very low39.1Very low68 Ų68137.5 Ų137.570%0.70169%0.689SS**THydrogen-bonded Turntrans-86.5-2.317900000116.9R391R391-G393 VanDerWaalsContact C-N 3.32Å
394L39.2Very low38.1Very low143 Ų143132 Ų13275%0.74969%0.687SS**  trans-132.779.5-178.4-82.5161.8000110.6
395H29.9Very low37.1Very low164 Ų164135.7 Ų135.776%0.75971%0.707SS**  trans-110.160.6163.1-149.5-73.3000110K397H395-K397 PolarHBondContact O-N 3.34Å
396S37.7Very low36.2Very low96 Ų96138 Ų13867%0.67172%0.72SS**  trans-68.1105.5156.741.70000107.7P398S396-P398 VanDerWaalsContact O-CD 3.26Å; S396-P398 WeakPolarHBondContact O-CD 3Å
397K29Very low35.7Very low174 Ų174134.3 Ų134.376%0.75772%0.721SS**  trans-58.3126.3171.4-89.3173.2170.6170.90110H395H395-K397 PolarHBondContact O-N 3.34Å
398P39.2Very low35.2Very low120 Ų120136.9 Ų136.978%0.77973%0.734SS**  trans-105.4104.2154.831.9-15.7000107.6S396S396-P398 VanDerWaalsContact O-CD 3.26Å; S396-P398 WeakPolarHBondContact O-CD 3Å
399V29.5Very low34.8Very low119 Ų119138.2 Ų138.272%0.72174%0.744SS**  trans-133.797.5168.6-178.50000108.1H401V399-H401 HydrophobicContact CG1-CB 4.4Å; V399-H401 PolarHBondContact O-N 3.46Å
400I34.3Very low34.6Very low164 Ų164140 Ų14084%0.84175%0.752SS**  trans-75.7111.9156.6-61.9174.1000105.8
401H25.6Very low34.5Very low169 Ų169144 Ų14478%0.78276%0.763SS**  trans-140121.6154.5-162.981.9000108.4V399V399-H401 HydrophobicContact CG1-CB 4.4Å; V399-H401 PolarHBondContact O-N 3.46Å
402L33.2Very low34.2Very low143 Ų143143.7 Ų143.775%0.74977%0.767SS**  trans-60.9155.9175-108.671.3000111.3
403Q28Very low34Very low199 Ų199147 Ų14793%0.9377%0.772SS**  trans112.7108.5146.2-158.9158.233.100117
404G27.4Very low33.8Very low67 Ų67153.2 Ų153.269%0.69178%0.775SS**  trans125.296142.100000117.6
405N27.1Very low33.7Very low166 Ų166154.6 Ų154.689%0.88878%0.78SS**  trans52.5109.1146.3-67.2-2.6000121.1
406E33.9Very low34.2Very low177 Ų177156 Ų15683%0.82779%0.788SS**  trans-67.2160.3137.2-75.9-138.912800110
407P37.9Very low33.8Very low114 Ų114155.1 Ų155.174%0.7480%0.795SS**  cis-138.414725.137.8-18.4000115.5
408L31.2Very low33.9Very low145 Ų145152.1 Ų152.176%0.75980%0.796SS**  trans-147.672.9159-156.8140.1000110.2
409L39.9Very low33.6Very low146 Ų146152 Ų15276%0.76479%0.793SS**  trans-11645.5167.2-135.3170.5000108.9
410E40.2Very low33.7Very low150 Ų150154.6 Ų154.670%0.70180%0.797SS**  trans-131.829.1-172.8-149.7170.4177.100114.2
411E38.8Very low33.5Very low158 Ų158152.5 Ų152.574%0.73879%0.792SS**SBendtrans-121.1-6.8173.9-155.4166.6-170.900114.2
412K35Very low33.7Very low197 Ų197150.2 Ų150.286%0.85780%0.795SS**SBendtrans-106.45177.5-121-158.5178.8-160.90116.5
413Y35.3Very low33.8Very low208 Ų208149.2 Ų149.282%0.81680%0.795SS**SBendtrans-114.13.6170.2-78.3-80.2000113.7M415Y413-M415 VanDerWaalsContact C-N 3.33Å; Y413-M415 PolarHBondContact O-N 3.05Å
414R37.5Very low34Very low198 Ų198147.3 Ų147.375%0.74779%0.791SS**SBendtrans-95.632.3175.6-160.4-167.6-72-108.9-5.6112.8
415M37.1Very low34.3Very low173 Ų173154.7 Ų154.785%0.85280%0.798SS**SBendtrans-152.141176.2-152.5172.4-81.200112.2Y413Y413-M415 VanDerWaalsContact C-N 3.33Å; Y413-M415 PolarHBondContact O-N 3.05Å
416M40.9Very low34.7Very low192 Ų192154.1 Ų154.195%0.94679%0.794SS**SBendtrans-173.690.4157.8-109172.8-160.400108.6
417G28.6Very low34.7Very low79 Ų79150.2 Ų150.281%0.81479%0.786SS**  trans154.4105.5169.400000113.9
418S30.4Very low34.6Very low111 Ų111153.9 Ų153.978%0.77679%0.793SS**  trans135.790.1151.5-162.50000109.7
419V32.9Very low35.1Very low117 Ų117155.4 Ų155.471%0.70983%0.827SS**  93.1125.379.3165.30000110.7
420E31.6Very low34.9Very low173 Ų173155.9 Ų155.981%0.80883%0.83SS**  167.4104.6124.7-87.3-173.3150.900108.2
421T30.7Very low34.6Very low121 Ų121156.2 Ų156.274%0.74284%0.837SS**  3888.980.260.10000115
422S30Very low34.3Very low120 Ų120156.1 Ų156.184%0.83984%0.843SS**  trans-101.6109.1158.461.40000110.1
423V35.1Very low34.3Very low123 Ų123153.7 Ų153.775%0.74584%0.842SS**  trans-93126.2165.8172.40000108.3
424N32.1Very low34.2Very low159 Ų159150.3 Ų150.385%0.8584%0.844SS**  trans-152.396.9155-87.4-33.4000106.5
425R33.3Very low34Very low222 Ų222147.1 Ų147.184%0.83885%0.85SS**  57.9111.997.3-92.3-161.1-160.5-160.57.2116.8
426L37.1Very low33.8Very low153 Ų153145.3 Ų145.380%0.80185%0.85SS**  68.7136.7129.8-110.686.5000123.1
427S33.3Very low33.2Very low95 Ų95141.7 Ų141.766%0.66484%0.842SS**  trans91.2113144.7-72.10000121.1
428E35.2Very low33.6Very low191 Ų191146.9 Ų146.989%0.89385%0.845SS**  68.3107.2124.5-153.2171151.200119.5
429A41.9Very low33.9Very low178 Ų178150.2 Ų150.2100%1.47185%0.851SS**  trans-170.20131.100000110

Retrieved 429 of 429 residues in 101.7 ms (Link to these results)