M4ARS1_XIPMA Loading...

Ribosomal protein L15

Component of the large ribosomal subunit. The ribosome is a large ribonucleoprotein complex responsible for the synthesis of proteins in the cell.

AlphaFold DB , UniProt , Accession M4ARS1, Species XIPMA (Xiphophorus maculatus, Southern platyfish), Gene n/a, Length 204 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
1M62.4Low91.8Very high184 Ų18484.9 Ų84.991%0.90643%0.43SS*.  0127.80-90.4-170.8-92.300109.5R5 Y6M1-R5 HydrophobicContact SD-CG 4.35Å; M1-Y6 HydrophobicContact CB-CE2 3.75Å
2G90.9Very high92.2Very high52 Ų5288.8 Ų88.854%0.53644%0.436SS..  trans-80154.5-179.700000114Y4 R5G2-Y4 PolarHBondContact O-N 3.39Å; G2-Y4 VanDerWaalsContact O-N 3.08Å; G2-R5 WeakPolarHBondContact O-CB 3.28Å; G2-R5 PolarHBondContact O-N 3.39Å
3A94.7Very high92.5Very high73 Ų7393.8 Ų93.860%0.60345%0.454SS*.Hα-helixtrans-49.7-38.3-176.700000114.3R5 Y6 M7A3-R5 PolarHBondContact O-N 3.45Å; A3-Y6 PolarHBondContact O-N 3.23Å; A3-M7 WeakPolarHBondContact O-CG 3.49Å; A3-M7 PolarHBondContact O-N 3.23Å; A3-M7 VanDerWaalsContact O-N 3.12Å
4Y94.9Very high92.7Very high114 Ų11493.1 Ų93.145%0.44745%0.447SS..Hα-helixtrans-60.9-27.4178-68-59.8000114G2 M7 Q8 P45 D46G2-Y4 PolarHBondContact O-N 3.39Å; G2-Y4 VanDerWaalsContact O-N 3.08Å; Y4-M7 HydrophobicContact CD1-SD 4Å; Y4-M7 HydrophobicContact CE1-SD 4.47Å; Y4-Q8 WeakPolarHBondContact O-CB 3.39Å; Y4-Q8 PolarHBondContact O-N 2.87Å; Y4-P45 HydrophobicContact CE1-CB 4.33Å; Y4-D46 HydrophobicContact CD1-CB 4.1Å
5R95.4Very high93Very high114 Ų11498.1 Ų98.143%0.4347%0.47SS..Hα-helixtrans-69.8-45.2176.5-176.563-168.9-135.4-1.9110.7M1 G2 A3 M7 Q8 E9M1-R5 HydrophobicContact SD-CG 4.35Å; G2-R5 WeakPolarHBondContact O-CB 3.28Å; G2-R5 PolarHBondContact O-N 3.39Å; A3-R5 PolarHBondContact O-N 3.45Å; R5-M7 PolarHBondContact O-N 2.93Å; R5-Q8 WeakPolarHBondContact O-CB 3.42Å; R5-Q8 PolarHBondContact O-N 3.25Å; R5-Q8 VanDerWaalsContact O-N 3.13Å; R5-E9 IonicContact CZ-OE1 3.18Å; R5-E9 IonicContact NE-OE1 2.84Å; R5-E9 PolarHBondContact NE-OE1 3.15Å; R5-E9 IonicContact NH2-OE1 2.76Å; R5-E9 PolarHBondContact NH2-OE1 2.83Å; R5-E9 PolarHBondContact O-N 3.43Å
6Y95.7Very high93.3Very high132 Ų13294.6 Ų94.652%0.51846%0.459SS..Hα-helixtrans-61.2-43.8176-65.4-82.8000111.8M1 A3 Q8 E9 L10M1-Y6 HydrophobicContact CB-CE2 3.75Å; A3-Y6 PolarHBondContact O-N 3.23Å; Y6-Q8 VanDerWaalsContact C-N 3.28Å; Y6-Q8 PolarHBondContact O-N 3.08Å; Y6-E9 PolarHBondContact O-N 2.98Å; Y6-E9 VanDerWaalsContact O-N 3.14Å; Y6-L10 PolarHBondContact O-N 2.92Å
7M95.1Very high93.6Very high58 Ų5895.8 Ų95.829%0.28647%0.468SS..Hα-helixtrans-56.7-43.4173.4-64.517877.100111.6A3 Y4 R5 E9 L10 W11 P45 D46A3-M7 WeakPolarHBondContact O-CG 3.49Å; A3-M7 PolarHBondContact O-N 3.23Å; A3-M7 VanDerWaalsContact O-N 3.12Å; Y4-M7 HydrophobicContact CD1-SD 4Å; Y4-M7 HydrophobicContact CE1-SD 4.47Å; R5-M7 PolarHBondContact O-N 2.93Å; M7-E9 PolarHBondContact O-N 3.49Å; M7-L10 PolarHBondContact O-N 3.39Å; M7-W11 PolarHBondContact O-N 3.17Å; M7-P45 HydrophobicContact CE-CB 4.22Å; M7-P45 HydrophobicContact CE-CG 4.02Å; M7-D46 HydrophobicContact CB-CB 3.98Å; M7-D46 HydrophobicContact SD-CB 4.43Å
8Q95.3Very high93.7Very high29 Ų2995.7 Ų95.714%0.13647%0.474CS..Hα-helixtrans-62.9-41.4177.7177.2179.7-4.800112.3Y4 R5 Y6 W11 R12 R50Y4-Q8 WeakPolarHBondContact O-CB 3.39Å; Y4-Q8 PolarHBondContact O-N 2.87Å; R5-Q8 WeakPolarHBondContact O-CB 3.42Å; R5-Q8 PolarHBondContact O-N 3.25Å; R5-Q8 VanDerWaalsContact O-N 3.13Å; Y6-Q8 VanDerWaalsContact C-N 3.28Å; Y6-Q8 PolarHBondContact O-N 3.08Å; Q8-W11 PolarHBondContact O-N 2.93Å; Q8-R12 WeakPolarHBondContact O-CG 3.19Å; Q8-R12 PolarHBondContact O-N 2.64Å; Q8-R50 VanDerWaalsContact NE2-NH1 3.18Å
9E95.4Very high93.9Very high64 Ų6491 Ų9130%0.29945%0.451SS..Hα-helixtrans-65.8-40.1178.1-62.3-55.1163.800111.9R5 Y6 M7 W11 R12 K13R5-E9 IonicContact CZ-OE1 3.18Å; R5-E9 IonicContact NE-OE1 2.84Å; R5-E9 PolarHBondContact NE-OE1 3.15Å; R5-E9 IonicContact NH2-OE1 2.76Å; R5-E9 PolarHBondContact NH2-OE1 2.83Å; R5-E9 PolarHBondContact O-N 3.43Å; Y6-E9 PolarHBondContact O-N 2.98Å; Y6-E9 VanDerWaalsContact O-N 3.14Å; M7-E9 PolarHBondContact O-N 3.49Å; E9-W11 VanDerWaalsContact C-N 3.34Å; E9-W11 PolarHBondContact O-N 3.45Å; E9-R12 VanDerWaalsContact CD-NH1 3.27Å; E9-R12 WeakPolarHBondContact O-CB 3.45Å; E9-R12 PolarHBondContact O-N 3.17Å; E9-R12 VanDerWaalsContact O-N 3.07Å; E9-R12 IonicContact OE1-CZ 3.04Å; E9-R12 IonicContact OE1-NH1 2.58Å; E9-R12 PolarHBondContact OE1-NH1 3.37Å; E9-R12 WeakPolarHBondContact OE2-CD 3.42Å; E9-R12 IonicContact OE2-CZ 3.79Å; E9-R12 IonicContact OE2-NE 3.34Å; E9-R12 IonicContact OE2-NH1 3.17Å; E9-R12 PolarHBondContact OE2-NH1 3.1Å; E9-K13 PolarHBondContact O-N 2.95Å; E9-K13 VanDerWaalsContact O-N 3.17Å
10L95.1Very high94Very high97 Ų9793.3 Ų93.351%0.50845%0.454SS..Hα-helixtrans-56.7-48.2171.8-72.4170.2000111.2Y6 M7 R12 K13 M19Y6-L10 PolarHBondContact O-N 2.92Å; M7-L10 PolarHBondContact O-N 3.39Å; L10-R12 PolarHBondContact O-N 3.33Å; L10-K13 CarbonylContact O-C 3.55Å; L10-K13 PolarHBondContact O-N 2.9Å; L10-M19 WeakPolarHBondContact O-CG 3.5Å
11W95.4Very high94.2Very high17 Ų1795.3 Ų95.36%0.06446%0.46CS..Hα-helixtrans-69.6-15.8177.6-79.2108.6000114.5M7 Q8 E9 K14 M19 L23 R26 R44 W120M7-W11 PolarHBondContact O-N 3.17Å; Q8-W11 PolarHBondContact O-N 2.93Å; E9-W11 VanDerWaalsContact C-N 3.34Å; E9-W11 PolarHBondContact O-N 3.45Å; W11-K14 WeakPolarHBondContact O-CE 3.37Å; W11-K14 VanDerWaalsContact O-CG 3.23Å; W11-K14 WeakPolarHBondContact O-CG 3.33Å; W11-K14 PolarHBondContact O-NZ 3.06Å; W11-M19 HydrophobicContact CD2-CE 3.76Å; W11-M19 HydrophobicContact CE3-CE 3.42Å; W11-M19 VanDerWaalsContact CE3-CE 3.42Å; W11-M19 HydrophobicContact CH2-CE 3.96Å; W11-M19 HydrophobicContact CZ2-CE 4.23Å; W11-M19 HydrophobicContact CZ3-CE 3.55Å; W11-L23 HydrophobicContact CH2-CD2 4.19Å; W11-L23 HydrophobicContact CZ3-CD2 3.96Å; W11-R26 VanDerWaalsContact CH2-NH1 3.32Å; W11-R26 VanDerWaalsContact CZ2-NH1 3.25Å; W11-R44 HydrophobicContact CD2-CG 4.2Å; W11-R44 VanDerWaalsContact CD2-NE 3.29Å; W11-R44 HydrophobicContact CH2-CG 3.8Å; W11-R44 HydrophobicContact CZ2-CG 3.3Å; W11-R44 HydrophobicContact CZ3-CG 4.42Å; W11-W120 HydrophobicContact CZ3-CZ3 4.09Å
12R95.6Very high95.9Very high131 Ų13189.7 Ų89.749%0.49443%0.434SS..Hα-helixtrans-75.7-43.5171.1-79.1167164.5178.7-3.5110.2Q8 E9 L10 K14Q8-R12 WeakPolarHBondContact O-CG 3.19Å; Q8-R12 PolarHBondContact O-N 2.64Å; E9-R12 VanDerWaalsContact CD-NH1 3.27Å; E9-R12 WeakPolarHBondContact O-CB 3.45Å; E9-R12 PolarHBondContact O-N 3.17Å; E9-R12 VanDerWaalsContact O-N 3.07Å; E9-R12 IonicContact OE1-CZ 3.04Å; E9-R12 IonicContact OE1-NH1 2.58Å; E9-R12 PolarHBondContact OE1-NH1 3.37Å; E9-R12 WeakPolarHBondContact OE2-CD 3.42Å; E9-R12 IonicContact OE2-CZ 3.79Å; E9-R12 IonicContact OE2-NE 3.34Å; E9-R12 IonicContact OE2-NH1 3.17Å; E9-R12 PolarHBondContact OE2-NH1 3.1Å; L10-R12 PolarHBondContact O-N 3.33Å; R12-K14 VanDerWaalsContact C-N 3.31Å; R12-K14 PolarHBondContact O-N 3.26Å
13K96.7Very high96.1Very high154 Ų15488.3 Ų88.367%0.6741%0.414SS*.  trans-83.159.9178.1-61.7-173.2179-175.20112.9E9 L10 Q15 S16E9-K13 PolarHBondContact O-N 2.95Å; E9-K13 VanDerWaalsContact O-N 3.17Å; L10-K13 CarbonylContact O-C 3.55Å; L10-K13 PolarHBondContact O-N 2.9Å; K13-Q15 PolarHBondContact O-N 2.85Å; K13-Q15 VanDerWaalsContact O-N 3.16Å; K13-S16 PolarHBondContact O-N 3.49Å; K13-S16 VanDerWaalsContact O-N 3.11Å; K13-S16 PolarHBondContact O-OG 3.4Å; K13-S16 VanDerWaalsContact O-OG 3.06Å
14K95.4Very high96.3Very high84 Ų8494.1 Ų94.137%0.36542%0.42SS..THydrogen-bonded Turntrans-65.8-17.5-176.6-61-178.4-169.459.40114.9W11 R12 S16 W120W11-K14 WeakPolarHBondContact O-CE 3.37Å; W11-K14 VanDerWaalsContact O-CG 3.23Å; W11-K14 WeakPolarHBondContact O-CG 3.33Å; W11-K14 PolarHBondContact O-NZ 3.06Å; R12-K14 VanDerWaalsContact C-N 3.31Å; R12-K14 PolarHBondContact O-N 3.26Å; K14-S16 VanDerWaalsContact C-N 3.35Å; K14-W120 HydrophobicContact CD-CH2 4.27Å; K14-W120 HydrophobicContact CD-CZ3 4.1Å
15Q97.1Very high96.4Very high169 Ų16991.9 Ų91.979%0.7942%0.419SS*.THydrogen-bonded Turntrans-85.8-4.1177-72.3177.4-26.400112.9K13 R20K13-Q15 PolarHBondContact O-N 2.85Å; K13-Q15 VanDerWaalsContact O-N 3.16Å; Q15-R20 PolarHBondContact O-NE 2.85Å; Q15-R20 PolarHBondContact O-NH2 3.4Å; Q15-R20 VanDerWaalsContact O-NH2 3.11Å
16S97.7Very high96.4Very high42 Ų4289.3 Ų89.329%0.29441%0.409SS..SBendtrans-63.8153.1172.668.20000111.1K13 K14 V18 M19 R20K13-S16 PolarHBondContact O-N 3.49Å; K13-S16 VanDerWaalsContact O-N 3.11Å; K13-S16 PolarHBondContact O-OG 3.4Å; K13-S16 VanDerWaalsContact O-OG 3.06Å; K14-S16 VanDerWaalsContact C-N 3.35Å; S16-V18 VanDerWaalsContact C-N 3.29Å; S16-V18 PolarHBondContact O-N 3.03Å; S16-M19 PolarHBondContact O-N 3.13Å; S16-M19 VanDerWaalsContact O-N 3.13Å; S16-M19 WeakPolarHBondContact OG-CB 3.48Å; S16-M19 WeakPolarHBondContact OG-CG 3.45Å; S16-M19 PolarHBondContact OG-N 3.34Å; S16-R20 WeakPolarHBondContact O-CG 3.37Å; S16-R20 PolarHBondContact O-N 2.83Å
17D97.7Very high96.5Very high115 Ų11583.6 Ų83.662%0.61539%0.388SS*.Hα-helixtrans-60-41.8-178-59.8-38.1000112M19 R20 F21D17-M19 PolarHBondContact O-N 3.04Å; D17-R20 PolarHBondContact O-N 3.07Å; D17-R20 IonicContact OD1-CZ 2.98Å; D17-R20 VanDerWaalsContact OD1-CZ 3.31Å; D17-R20 IonicContact OD1-NE 3.94Å; D17-R20 IonicContact OD1-NH2 2.8Å; D17-R20 PolarHBondContact OD1-NH2 2.88Å; D17-F21 WeakPolarHBondContact O-CB 3.49Å; D17-F21 PolarHBondContact O-N 2.86Å
18V96.6Very high96.6Very high94 Ų9488.8 Ų88.857%0.5741%0.405SS*.Hα-helixtrans-56.2-49174.3179.50000111.2S16 L22S16-V18 VanDerWaalsContact C-N 3.29Å; S16-V18 PolarHBondContact O-N 3.03Å; V18-L22 HydrophobicContact CG1-CD1 3.99Å; V18-L22 WeakPolarHBondContact O-CB 3.45Å; V18-L22 VanDerWaalsContact O-CG 3.27Å; V18-L22 WeakPolarHBondContact O-CG 3.28Å; V18-L22 PolarHBondContact O-N 3.39Å
19M96.7Very high96.7Very high6 Ų691.7 Ų91.73%0.0342%0.418CS..Hα-helixtrans-70.8-37.8-178.3-74-57.1-53.700112.4L10 W11 S16 D17 L23L10-M19 WeakPolarHBondContact O-CG 3.5Å; W11-M19 HydrophobicContact CD2-CE 3.76Å; W11-M19 HydrophobicContact CE3-CE 3.42Å; W11-M19 VanDerWaalsContact CE3-CE 3.42Å; W11-M19 HydrophobicContact CH2-CE 3.96Å; W11-M19 HydrophobicContact CZ2-CE 4.23Å; W11-M19 HydrophobicContact CZ3-CE 3.55Å; S16-M19 PolarHBondContact O-N 3.13Å; S16-M19 VanDerWaalsContact O-N 3.13Å; S16-M19 WeakPolarHBondContact OG-CB 3.48Å; S16-M19 WeakPolarHBondContact OG-CG 3.45Å; S16-M19 PolarHBondContact OG-N 3.34Å; D17-M19 PolarHBondContact O-N 3.04Å; M19-L23 HydrophobicContact CE-CD1 4.48Å; M19-L23 HydrophobicContact CE-CG 4.43Å; M19-L23 VanDerWaalsContact O-CB 3.28Å; M19-L23 WeakPolarHBondContact O-CB 3.23Å; M19-L23 VanDerWaalsContact O-CG 3.23Å; M19-L23 WeakPolarHBondContact O-CG 3.35Å; M19-L23 PolarHBondContact O-N 3.11Å
20R96.9Very high96.8Very high136 Ų13688.9 Ų88.951%0.51341%0.405SS..Hα-helixtrans-61.7-46.6175.5-74.9-172.1-82.6-173-9.1111.1Q15 S16 D17 R24Q15-R20 PolarHBondContact O-NE 2.85Å; Q15-R20 PolarHBondContact O-NH2 3.4Å; Q15-R20 VanDerWaalsContact O-NH2 3.11Å; S16-R20 WeakPolarHBondContact O-CG 3.37Å; S16-R20 PolarHBondContact O-N 2.83Å; D17-R20 PolarHBondContact O-N 3.07Å; D17-R20 IonicContact OD1-CZ 2.98Å; D17-R20 VanDerWaalsContact OD1-CZ 3.31Å; D17-R20 IonicContact OD1-NE 3.94Å; D17-R20 IonicContact OD1-NH2 2.8Å; D17-R20 PolarHBondContact OD1-NH2 2.88Å; R20-R24 WeakPolarHBondContact O-CB 3.47Å; R20-R24 PolarHBondContact O-N 2.9Å
21F97.6Very high96.8Very high136 Ų13689.2 Ų89.260%0.59640%0.399SS*.Hα-helixtrans-60.1-53.2175.9177.2-99.5000111.6D17 L23 R24 V25D17-F21 WeakPolarHBondContact O-CB 3.49Å; D17-F21 PolarHBondContact O-N 2.86Å; F21-L23 VanDerWaalsContact C-N 3.33Å; F21-L23 PolarHBondContact O-N 3.46Å; F21-R24 WeakPolarHBondContact O-CB 3.27Å; F21-R24 PolarHBondContact O-N 3.01Å; F21-R24 VanDerWaalsContact O-N 3.16Å; F21-V25 HydrophobicContact CE1-CG2 4.2Å; F21-V25 HydrophobicContact CE2-CG2 4.18Å; F21-V25 HydrophobicContact CZ-CG2 3.98Å; F21-V25 PolarHBondContact O-N 2.84Å; F21-V25 VanDerWaalsContact O-N 3.07Å
22L97.1Very high96.9Very high66 Ų6695 Ų9535%0.34643%0.427SS..Hα-helixtrans-59.7-41-179.7-73.3175.1000112.8V18 R26V18-L22 HydrophobicContact CG1-CD1 3.99Å; V18-L22 WeakPolarHBondContact O-CB 3.45Å; V18-L22 VanDerWaalsContact O-CG 3.27Å; V18-L22 WeakPolarHBondContact O-CG 3.28Å; V18-L22 PolarHBondContact O-N 3.39Å; L22-R26 WeakPolarHBondContact O-CB 3.34Å; L22-R26 VanDerWaalsContact O-CG 3.28Å; L22-R26 WeakPolarHBondContact O-CG 3.47Å; L22-R26 PolarHBondContact O-N 3.05Å; L22-R26 VanDerWaalsContact O-N 3.08Å
23L96.8Very high97Very high24 Ų2491.8 Ų91.813%0.12642%0.42CS..Hα-helixtrans-68.7-36.8178.1-75.1173.5000112.1W11 M19 F21 C27 W120 V121W11-L23 HydrophobicContact CH2-CD2 4.19Å; W11-L23 HydrophobicContact CZ3-CD2 3.96Å; M19-L23 HydrophobicContact CE-CD1 4.48Å; M19-L23 HydrophobicContact CE-CG 4.43Å; M19-L23 VanDerWaalsContact O-CB 3.28Å; M19-L23 WeakPolarHBondContact O-CB 3.23Å; M19-L23 VanDerWaalsContact O-CG 3.23Å; M19-L23 WeakPolarHBondContact O-CG 3.35Å; M19-L23 PolarHBondContact O-N 3.11Å; F21-L23 VanDerWaalsContact C-N 3.33Å; F21-L23 PolarHBondContact O-N 3.46Å; L23-C27 WeakPolarHBondContact O-CB 3.34Å; L23-C27 PolarHBondContact O-N 3.04Å; L23-C27 PolarHBondContact O-SG 2.96Å; L23-W120 HydrophobicContact CD1-CH2 3.98Å; L23-W120 HydrophobicContact CD2-CH2 3.99Å; L23-W120 HydrophobicContact CD2-CZ3 4.28Å; L23-V121 WeakPolarHBondContact CD2-O 3.47Å
24R97.1Very high97Very high194 Ų19487.7 Ų87.773%0.73241%0.411SS*.Hα-helixtrans-61.4-52.7175.9-176.4-179-68.3-179.4-2111.1R20 F21 R26 C27 W28R20-R24 WeakPolarHBondContact O-CB 3.47Å; R20-R24 PolarHBondContact O-N 2.9Å; F21-R24 WeakPolarHBondContact O-CB 3.27Å; F21-R24 PolarHBondContact O-N 3.01Å; F21-R24 VanDerWaalsContact O-N 3.16Å; R24-R26 VanDerWaalsContact C-N 3.33Å; R24-R26 PolarHBondContact O-N 2.86Å; R24-C27 PolarHBondContact O-N 2.91Å; R24-W28 PolarHBondContact O-N 3.28Å
25V97.6Very high97.1Very high68 Ų6888 Ų8841%0.41242%0.416SS..Hα-helixtrans-59.9-43.9179.3176.30000111.1F21 W28 Q29F21-V25 HydrophobicContact CE1-CG2 4.2Å; F21-V25 HydrophobicContact CE2-CG2 4.18Å; F21-V25 HydrophobicContact CZ-CG2 3.98Å; F21-V25 PolarHBondContact O-N 2.84Å; F21-V25 VanDerWaalsContact O-N 3.07Å; V25-W28 PolarHBondContact O-N 2.8Å; V25-Q29 PolarHBondContact O-N 2.97Å
26R96.9Very high97.1Very high59 Ų5981.4 Ų81.422%0.22339%0.386CS..Hα-helixtrans-64.2-43.5177.3-77174.6175.4162.3-1.2113.1W11 L22 R24 W28 Q29 Y30W11-R26 VanDerWaalsContact CH2-NH1 3.32Å; W11-R26 VanDerWaalsContact CZ2-NH1 3.25Å; L22-R26 WeakPolarHBondContact O-CB 3.34Å; L22-R26 VanDerWaalsContact O-CG 3.28Å; L22-R26 WeakPolarHBondContact O-CG 3.47Å; L22-R26 PolarHBondContact O-N 3.05Å; L22-R26 VanDerWaalsContact O-N 3.08Å; R24-R26 VanDerWaalsContact C-N 3.33Å; R24-R26 PolarHBondContact O-N 2.86Å; R26-W28 VanDerWaalsContact C-N 3.3Å; R26-W28 PolarHBondContact O-N 3.09Å; R26-Q29 PolarHBondContact O-N 2.89Å; R26-Y30 HydrophobicContact CB-CE2 4.01Å; R26-Y30 WeakPolarHBondContact O-CB 3.42Å; R26-Y30 WeakPolarHBondContact O-CD1 3.46Å; R26-Y30 WeakPolarHBondContact O-CD2 3.2Å; R26-Y30 PolarHBondContact O-N 3.13Å
27C96.6Very high97.1Very high13 Ų1380.8 Ų80.89%0.08838%0.379CS..Hα-helixtrans-64.3-38.3178.9-69.50000111.2L23 R24 Y30 R31 F129L23-C27 WeakPolarHBondContact O-CB 3.34Å; L23-C27 PolarHBondContact O-N 3.04Å; L23-C27 PolarHBondContact O-SG 2.96Å; R24-C27 PolarHBondContact O-N 2.91Å; C27-Y30 PolarHBondContact O-N 3.16Å; C27-R31 WeakPolarHBondContact O-CG 3.31Å; C27-R31 PolarHBondContact O-N 3.44Å; C27-R31 VanDerWaalsContact O-N 3.09Å; C27-F129 HydrophobicContact CB-CE2 4.29Å
28W97.4Very high97.1Very high166 Ų16683.2 Ų83.263%0.62938%0.379SS*.Hα-helixtrans-59-51.2171172.585.7000111.4R24 V25 R26 Y30 R31 Q32R24-W28 PolarHBondContact O-N 3.28Å; V25-W28 PolarHBondContact O-N 2.8Å; R26-W28 VanDerWaalsContact C-N 3.3Å; R26-W28 PolarHBondContact O-N 3.09Å; W28-Y30 PolarHBondContact O-N 3.16Å; W28-R31 WeakPolarHBondContact O-CB 3.42Å; W28-R31 PolarHBondContact O-N 3.23Å; W28-R31 VanDerWaalsContact O-N 3.16Å; W28-Q32 PolarHBondContact O-N 3.13Å
29Q97.3Very high97.1Very high91 Ų9178.9 Ų78.943%0.42535%0.353SS..Hα-helixtrans-57.4-46.9178-173.6-173.721.600111.9V25 R26 R31 Q32 L33V25-Q29 PolarHBondContact O-N 2.97Å; R26-Q29 PolarHBondContact O-N 2.89Å; Q29-R31 PolarHBondContact O-N 3.22Å; Q29-Q32 PolarHBondContact O-N 3.37Å; Q29-Q32 VanDerWaalsContact O-N 3.17Å; Q29-L33 PolarHBondContact O-N 3.42Å
30Y97.3Very high97Very high5 Ų584.2 Ų84.22%0.0239%0.388CS..Hα-helixtrans-69.3-19.7-177.5-59.6-16.1000113.5R26 C27 W28 T43 V121 F129R26-Y30 HydrophobicContact CB-CE2 4.01Å; R26-Y30 WeakPolarHBondContact O-CB 3.42Å; R26-Y30 WeakPolarHBondContact O-CD1 3.46Å; R26-Y30 WeakPolarHBondContact O-CD2 3.2Å; R26-Y30 PolarHBondContact O-N 3.13Å; C27-Y30 PolarHBondContact O-N 3.16Å; W28-Y30 PolarHBondContact O-N 3.16Å; Y30-T43 PolarHBondContact OH-OG1 3.1Å; Y30-V121 HydrophobicContact CE2-CB 4.49Å; Y30-V121 HydrophobicContact CE2-CG2 3.93Å; Y30-F129 VanDerWaalsContact CB-CE1 3.49Å; Y30-F129 HydrophobicContact CD2-CB 4.11Å; Y30-F129 HydrophobicContact CD2-CD1 4.08Å; Y30-F129 HydrophobicContact CD2-CD2 4.47Å; Y30-F129 AromaticContact CD2-CG 3.97Å; Y30-F129 HydrophobicContact CD2-CG 3.97Å; Y30-F129 HydrophobicContact CG-CD1 4.3Å
31R96.1Very high97Very high103 Ų10387.1 Ų87.139%0.38940%0.399SS..Hα-helixtrans-73.1-35.3172.1-84-176.3156.9-146.9-6.5112.7C27 W28 Q29 L33 R65 D124 T126 F129C27-R31 WeakPolarHBondContact O-CG 3.31Å; C27-R31 PolarHBondContact O-N 3.44Å; C27-R31 VanDerWaalsContact O-N 3.09Å; W28-R31 WeakPolarHBondContact O-CB 3.42Å; W28-R31 PolarHBondContact O-N 3.23Å; W28-R31 VanDerWaalsContact O-N 3.16Å; Q29-R31 PolarHBondContact O-N 3.22Å; R31-L33 VanDerWaalsContact C-N 3.29Å; R31-R65 PolarHBondContact O-NH1 3.48Å; R31-D124 IonicContact CZ-OD1 2.75Å; R31-D124 IonicContact CZ-OD2 3.61Å; R31-D124 IonicContact NE-OD1 3.95Å; R31-D124 IonicContact NE-OD2 3.68Å; R31-D124 PolarHBondContact NE-OD2 3.47Å; R31-D124 IonicContact NH2-OD1 3.9Å; R31-D124 PolarHBondContact NH2-OD1 3.13Å; R31-D124 IonicContact NH2-OD2 2.67Å; R31-D124 PolarHBondContact NH2-OD2 3.08Å; R31-T126 PolarHBondContact NH2-OG1 2.66Å; R31-F129 HydrophobicContact CG-CZ 4.09Å
32Q97.1Very high97Very high138 Ų13881.5 Ų81.565%0.64538%0.376SS*.Hα-helixtrans-72.3-28.1178.8-55.2-52.8-25.100112W28 Q29W28-Q32 PolarHBondContact O-N 3.13Å; Q29-Q32 PolarHBondContact O-N 3.37Å; Q29-Q32 VanDerWaalsContact O-N 3.17Å
33L96.9Very high97Very high64 Ų6479.1 Ų79.134%0.33537%0.365SS..SBendtrans-77.7161.9177.8-59.6173.3000112.2Q29 R31 H37 R65Q29-L33 PolarHBondContact O-N 3.42Å; R31-L33 VanDerWaalsContact C-N 3.29Å; L33-H37 VanDerWaalsContact CB-CE1 3.47Å; L33-H37 WeakPolarHBondContact CB-CE1 3.49Å; L33-H37 VanDerWaalsContact CD1-NE2 3.27Å; L33-H37 WeakPolarHBondContact CD1-NE2 3.43Å; L33-R65 PolarHBondContact O-NH1 2.96Å
34S97.2Very high97Very high69 Ų6979.3 Ų79.348%0.48336%0.364SS..  trans-61.8160.4178.471.50000112.3L36 H37S34-L36 PolarHBondContact O-N 2.85Å; S34-L36 PolarHBondContact OG-O 3.23Å; S34-H37 PolarHBondContact O-ND1 2.7Å; S34-H37 VanDerWaalsContact O-ND1 3.13Å
35N96.7Very high97Very high91 Ų9172.2 Ų72.249%0.48734%0.343SS..SBendtrans-53.1-31.4-177.9-71.2-31.8000113.6V64 R65N35-V64 WeakPolarHBondContact O-CA 3.49Å; N35-R65 HydrophobicContact CB-CG 4.48Å; N35-R65 PolarHBondContact O-N 3.16Å; N35-R65 PolarHBondContact OD1-NE 3.27Å; N35-R65 PolarHBondContact OD1-NH2 3.15Å
36L97.7Very high96.9Very high29 Ų2969.3 Ų69.315%0.15233%0.325CS..EExtended strand (participates in β ladder)trans-143.5118.8178.6179.3158.2000107.5S34 Y62 R63 V64 R105 H109S34-L36 PolarHBondContact O-N 2.85Å; S34-L36 PolarHBondContact OG-O 3.23Å; L36-Y62 HydrophobicContact CD2-CD1 3.43Å; L36-Y62 VanDerWaalsContact CD2-CD1 3.43Å; L36-Y62 HydrophobicContact CD2-CE1 3.69Å; L36-Y62 HydrophobicContact CG-CD1 4.15Å; L36-R63 WeakPolarHBondContact CA-O 3.31Å; L36-V64 HydrophobicContact CD1-CG2 4.1Å; L36-V64 HydrophobicContact CG-CG2 4.09Å; L36-R105 HydrophobicContact CD1-CB 4.47Å; L36-R105 WeakPolarHBondContact CD1-O 3.19Å; L36-H109 HydrophobicContact CD1-CB 3.66Å; L36-H109 HydrophobicContact CD2-CB 4.08Å; L36-H109 WeakPolarHBondContact CD2-CD2 3.25Å
37H97.8Very high96.9Very high30 Ų3069.3 Ų69.314%0.13933%0.327CS..EExtended strand (participates in β ladder)trans-143.2155.7178.158.8-86.9000110.9L33 S34 Y62 R63L33-H37 VanDerWaalsContact CB-CE1 3.47Å; L33-H37 WeakPolarHBondContact CB-CE1 3.49Å; L33-H37 VanDerWaalsContact CD1-NE2 3.27Å; L33-H37 WeakPolarHBondContact CD1-NE2 3.43Å; S34-H37 PolarHBondContact O-ND1 2.7Å; S34-H37 VanDerWaalsContact O-ND1 3.13Å; H37-Y62 CarbonylContact O-C 3.49Å; H37-Y62 WeakPolarHBondContact O-CA 3.39Å; H37-R63 PolarHBondContact N-O 2.75Å; H37-R63 VanDerWaalsContact N-O 3.07Å; H37-R63 WeakPolarHBondContact NE2-CB 3.47Å; H37-R63 VanDerWaalsContact NE2-CD 3.34Å; H37-R63 WeakPolarHBondContact NE2-CD 3.06Å; H37-R63 PolarHBondContact O-N 3.44Å
38R97.6Very high97Very high165 Ų16568.7 Ų68.762%0.62332%0.323SS*.EExtended strand (participates in β ladder)trans-72.6131.7175.1-172.6177.8177.2-171.9-0.5109.9Y62R38-Y62 HydrophobicContact CB-CD1 4.44Å; R38-Y62 HydrophobicContact CB-CE1 4.04Å; R38-Y62 HydrophobicContact CB-CE2 4.27Å; R38-Y62 HydrophobicContact CG-CE2 4.21Å
39A96.9Very high97Very high3 Ų368 Ų683%0.02532%0.32CS..EExtended strand (participates in β ladder)trans-94.6134.3170.100000109.5I61 R63A39-I61 HydrophobicContact CB-CB 4.35Å; A39-I61 HydrophobicContact CB-CG2 4.04Å; A39-I61 PolarHBondContact N-O 3.01Å; A39-R63 HydrophobicContact CB-CG 3.99Å
40P95.4Very high96.9Very high118 Ų11870 Ų7077%0.76632%0.323SS*.SBendtrans-69.2-34.5-179.326.1-33.5000112.3
41R96.1Very high96.9Very high197 Ų19771.3 Ų71.374%0.74333%0.33SS*.SBendtrans-142.7154.2-179.1-66.6-177.9-175.5154.51.1110.2T43R41-T43 PolarHBondContact O-N 3.17Å
42P97.7Very high96.9Very high18 Ų1867.9 Ų67.912%0.11733%0.328CS..  trans-61.7131.7173.922.2-30000110.2R44 P45 A48 Y53 I61 Y119P42-R44 PolarHBondContact O-N 3.09Å; P42-P45 HydrophobicContact CG-CB 4.37Å; P42-P45 HydrophobicContact CG-CG 4.21Å; P42-A48 HydrophobicContact CB-CB 3.84Å; P42-A48 HydrophobicContact CG-CB 4.44Å; P42-Y53 HydrophobicContact CG-CD1 4.37Å; P42-Y53 HydrophobicContact CG-CE1 3.89Å; P42-I61 HydrophobicContact CB-CD1 3.45Å; P42-I61 VanDerWaalsContact CB-CD1 3.45Å; P42-I61 HydrophobicContact CG-CD1 3.97Å; P42-Y119 VanDerWaalsContact CB-OH 3.25Å; P42-Y119 WeakPolarHBondContact CB-OH 3.43Å
43T97Very high97Very high17 Ų1763.2 Ų63.210%0.10430%0.304CS..SBendtrans-65.5-28.6171.2-57.50000110.9Y30 R41 R63 E131Y30-T43 PolarHBondContact OH-OG1 3.1Å; R41-T43 PolarHBondContact O-N 3.17Å; T43-R63 PolarHBondContact OG1-NH2 3.06Å; T43-E131 WeakPolarHBondContact CB-OE1 3.37Å; T43-E131 WeakPolarHBondContact CB-OE2 3.45Å; T43-E131 PolarHBondContact N-OE1 3.41Å; T43-E131 PolarHBondContact N-OE2 3.35Å; T43-E131 PolarHBondContact OG1-OE1 3.13Å; T43-E131 PolarHBondContact OG1-OE2 3.36Å
44R96.5Very high96.9Very high27 Ų2763.7 Ų63.710%0.10230%0.304CS..  trans-12580178.8-61.3-174.458.9-171.1-0.3111.3W11 P42 D46 K47 A48 Y119 W120W11-R44 HydrophobicContact CD2-CG 4.2Å; W11-R44 VanDerWaalsContact CD2-NE 3.29Å; W11-R44 HydrophobicContact CH2-CG 3.8Å; W11-R44 HydrophobicContact CZ2-CG 3.3Å; W11-R44 HydrophobicContact CZ3-CG 4.42Å; P42-R44 PolarHBondContact O-N 3.09Å; R44-D46 IonicContact NH2-OD2 3.31Å; R44-D46 PolarHBondContact O-N 3.24Å; R44-K47 HydrophobicContact CB-CB 3.85Å; R44-K47 PolarHBondContact O-N 3.27Å; R44-K47 VanDerWaalsContact O-N 3.15Å; R44-A48 WeakPolarHBondContact O-CB 3.46Å; R44-A48 PolarHBondContact O-N 3.46Å; R44-Y119 HydrophobicContact CB-CD2 4.25Å; R44-Y119 HydrophobicContact CB-CE2 3.76Å; R44-Y119 HydrophobicContact CG-CE2 4.28Å; R44-W120 PolarHBondContact NH1-O 3.43Å
45P96.7Very high96.8Very high45 Ų4564.9 Ų64.929%0.29232%0.318SS..Hα-helixtrans-54.6-39.1178.5-24.932.3000113.1Y4 M7 P42 K47 R49Y4-P45 HydrophobicContact CE1-CB 4.33Å; M7-P45 HydrophobicContact CE-CB 4.22Å; M7-P45 HydrophobicContact CE-CG 4.02Å; P42-P45 HydrophobicContact CG-CB 4.37Å; P42-P45 HydrophobicContact CG-CG 4.21Å; P45-K47 PolarHBondContact O-N 2.86Å; P45-R49 VanDerWaalsContact O-CB 3.26Å; P45-R49 WeakPolarHBondContact O-CB 3.21Å; P45-R49 PolarHBondContact O-N 3.47Å
46D96.5Very high96.7Very high7 Ų763.2 Ų63.24%0.03731%0.306CS..Hα-helixtrans-57.9-47.6176.567.2-59.6000112.3Y4 M7 R44 R50Y4-D46 HydrophobicContact CD1-CB 4.1Å; M7-D46 HydrophobicContact CB-CB 3.98Å; M7-D46 HydrophobicContact SD-CB 4.43Å; R44-D46 IonicContact NH2-OD2 3.31Å; R44-D46 PolarHBondContact O-N 3.24Å; D46-R50 PolarHBondContact O-N 2.79Å
47K97.6Very high96.7Very high60 Ų6068.4 Ų68.426%0.26133%0.33SS..Hα-helixtrans-76.8-40.9-177-175.459.1176.7177.90111.1R44 P45 R49 R50 L51 Y119R44-K47 HydrophobicContact CB-CB 3.85Å; R44-K47 PolarHBondContact O-N 3.27Å; R44-K47 VanDerWaalsContact O-N 3.15Å; P45-K47 PolarHBondContact O-N 2.86Å; K47-R49 VanDerWaalsContact C-N 3.34Å; K47-R49 PolarHBondContact O-N 3Å; K47-R50 PolarHBondContact O-N 2.99Å; K47-L51 HydrophobicContact CD-CD1 4.38Å; K47-L51 HydrophobicContact CG-CD1 4.24Å; K47-L51 WeakPolarHBondContact O-CG 3.43Å; K47-L51 PolarHBondContact O-N 3.49Å; K47-Y119 HydrophobicContact CB-CD2 4.46Å; K47-Y119 HydrophobicContact CG-CD2 4.13Å; K47-Y119 HydrophobicContact CG-CG 3.89Å
48A97.9Very high96.6Very high0 Ų067.5 Ų67.50%033%0.328CS..Hα-helixtrans-58.4-47.8176.800000110.7P42 R44 R50 L51 G52 Y53 Y119 I133P42-A48 HydrophobicContact CB-CB 3.84Å; P42-A48 HydrophobicContact CG-CB 4.44Å; R44-A48 WeakPolarHBondContact O-CB 3.46Å; R44-A48 PolarHBondContact O-N 3.46Å; A48-R50 VanDerWaalsContact C-N 3.35Å; A48-R50 PolarHBondContact O-N 3.37Å; A48-L51 CarbonylContact O-C 3.56Å; A48-L51 PolarHBondContact O-N 2.98Å; A48-G52 PolarHBondContact O-N 2.75Å; A48-Y53 HydrophobicContact CB-CD1 4.1Å; A48-Y53 HydrophobicContact CB-CG 4.06Å; A48-Y53 VanDerWaalsContact O-CB 3.25Å; A48-Y53 WeakPolarHBondContact O-CB 3.44Å; A48-Y53 PolarHBondContact O-N 2.89Å; A48-Y119 HydrophobicContact CB-CE1 3.84Å; A48-I133 HydrophobicContact CB-CD1 4.48Å
49R96.8Very high96.6Very high151 Ų15160.6 Ų60.657%0.5730%0.302SS*.Hα-helixtrans-58.6-44.8179.5-171.4176.9179.995-0.1111.8P45 K47 L51 G52P45-R49 VanDerWaalsContact O-CB 3.26Å; P45-R49 WeakPolarHBondContact O-CB 3.21Å; P45-R49 PolarHBondContact O-N 3.47Å; K47-R49 VanDerWaalsContact C-N 3.34Å; K47-R49 PolarHBondContact O-N 3Å; R49-L51 PolarHBondContact O-N 2.85Å; R49-G52 PolarHBondContact O-N 2.88Å
50R96.4Very high96.6Very high132 Ų13261.6 Ų61.650%0.49831%0.308SS..Hα-helixtrans-60.6-28.8176-168.7179-50.2-178.84.5113.5Q8 D46 K47 A48 G52Q8-R50 VanDerWaalsContact NE2-NH1 3.18Å; D46-R50 PolarHBondContact O-N 2.79Å; K47-R50 PolarHBondContact O-N 2.99Å; A48-R50 VanDerWaalsContact C-N 3.35Å; A48-R50 PolarHBondContact O-N 3.37Å; R50-G52 VanDerWaalsContact C-N 3.31Å
51L97.3Very high96.8Very high33 Ų3356.2 Ų56.217%0.17327%0.273CS..THydrogen-bonded Turntrans-91.56.4179.7-63.1175.7000113.1K47 A48 R49 N117 S118 Y119 I133K47-L51 HydrophobicContact CD-CD1 4.38Å; K47-L51 HydrophobicContact CG-CD1 4.24Å; K47-L51 WeakPolarHBondContact O-CG 3.43Å; K47-L51 PolarHBondContact O-N 3.49Å; A48-L51 CarbonylContact O-C 3.56Å; A48-L51 PolarHBondContact O-N 2.98Å; R49-L51 PolarHBondContact O-N 2.85Å; L51-N117 HydrophobicContact CB-CB 4.01Å; L51-N117 WeakPolarHBondContact CD2-ND2 3.42Å; L51-S118 VanDerWaalsContact CD1-O 3.3Å; L51-S118 WeakPolarHBondContact CD1-O 3.5Å; L51-Y119 HydrophobicContact CD1-CD1 3.74Å; L51-Y119 HydrophobicContact CD1-CG 4.15Å; L51-I133 HydrophobicContact CB-CD1 3.91Å
52G96.1Very high96.9Very high32 Ų3248.7 Ų48.733%0.3325%0.245SC..THydrogen-bonded Turntrans98.28.9173.600000115.1A48 R49 R50 Y59A48-G52 PolarHBondContact O-N 2.75Å; R49-G52 PolarHBondContact O-N 2.88Å; R50-G52 VanDerWaalsContact C-N 3.31Å; G52-Y59 WeakPolarHBondContact O-CE1 3.31Å; G52-Y59 PolarHBondContact O-OH 2.83Å; G52-Y59 VanDerWaalsContact O-OH 3.05Å
53Y97.6Very high96.9Very high40 Ų4049.4 Ų49.416%0.15725%0.245CC..  trans-66.7133.1169.6176.5-98.4000110.6P42 A48 A55 Y59 I61 I133P42-Y53 HydrophobicContact CG-CD1 4.37Å; P42-Y53 HydrophobicContact CG-CE1 3.89Å; A48-Y53 HydrophobicContact CB-CD1 4.1Å; A48-Y53 HydrophobicContact CB-CG 4.06Å; A48-Y53 VanDerWaalsContact O-CB 3.25Å; A48-Y53 WeakPolarHBondContact O-CB 3.44Å; A48-Y53 PolarHBondContact O-N 2.89Å; Y53-A55 HydrophobicContact CE1-CB 4.26Å; Y53-Y59 AromaticContact CD2-CD1 3.81Å; Y53-Y59 HydrophobicContact CD2-CD1 3.81Å; Y53-Y59 HydrophobicContact CD2-CG 4.34Å; Y53-Y59 HydrophobicContact CE2-CD1 4.42Å; Y53-I61 HydrophobicContact CD2-CD1 3.97Å; Y53-I61 HydrophobicContact CD2-CG1 4.19Å; Y53-I61 HydrophobicContact CE2-CD1 3.76Å; Y53-I61 HydrophobicContact CE2-CG1 4Å; Y53-I133 HydrophobicContact CD2-CG2 4.2Å
54K96.1Very high97Very high73 Ų7348.7 Ų48.732%0.31724%0.241SC..  trans-123.4139.8169.2-64.8-174.9179.5-175.60108K56 Y59 D147K54-K56 HydrophobicContact CB-CD 4.43Å; K54-K56 HydrophobicContact CB-CG 4.1Å; K54-K56 PolarHBondContact O-N 2.75Å; K54-Y59 HydrophobicContact CB-CE2 4.29Å; K54-D147 IonicContact NZ-OD2 3.18Å; K54-D147 PolarHBondContact NZ-OD2 3.31Å
55A95.4Very high97.1Very high94 Ų9449.5 Ų49.578%0.77724%0.244SC*.SBendtrans-78.470.4176.500000110.1Y53Y53-A55 HydrophobicContact CE1-CB 4.26Å
56K94.4Very high97.2Very high56 Ų5647.6 Ų47.624%0.24323%0.231CC..SBendtrans-139.3161.617664.6174-176166.30109.7K54 Y59 A141 N145 T148K54-K56 HydrophobicContact CB-CD 4.43Å; K54-K56 HydrophobicContact CB-CG 4.1Å; K54-K56 PolarHBondContact O-N 2.75Å; K56-Y59 HydrophobicContact CD-CE2 4.45Å; K56-Y59 VanDerWaalsContact CE-CE2 3.44Å; K56-Y59 HydrophobicContact CG-CD2 3.9Å; K56-Y59 HydrophobicContact CG-CE2 4.16Å; K56-Y59 PolarHBondContact O-N 3.37Å; K56-A141 PolarHBondContact NZ-O 3.33Å; K56-N145 VanDerWaalsContact NZ-CB 3.33Å; K56-N145 PolarHBondContact NZ-ND2 2.55Å; K56-T148 PolarHBondContact NZ-OG1 3.3Å
57Q96.3Very high97.2Very high139 Ų13955.4 Ų55.465%0.6526%0.26SS*.THydrogen-bonded Turntrans-58.1147.8176.4-63.8174.5-28.100111.8Y59 H139Q57-Y59 VanDerWaalsContact C-N 3.35Å; Q57-H139 WeakPolarHBondContact CB-CE1 3.46Å; Q57-H139 PolarHBondContact OE1-CE1 3.35Å
58G96.1Very high97.2Very high10 Ų1057.2 Ų57.210%0.10327%0.265CS..THydrogen-bonded Turntrans86.8-4-174.300000114.8I135 D136G58-I135 CarbonylContact O-C 3.56Å; G58-I135 WeakPolarHBondContact O-CA 3.29Å; G58-D136 PolarHBondContact O-N 2.9Å
59Y97.9Very high97Very high20 Ų2060.1 Ų60.18%0.07830%0.296CS..EExtended strand (participates in β ladder)trans-99.9132.5166.3-81.8-102.4000110.5G52 Y53 K54 K56 Q57 L116 I133 I135 T148G52-Y59 WeakPolarHBondContact O-CE1 3.31Å; G52-Y59 PolarHBondContact O-OH 2.83Å; G52-Y59 VanDerWaalsContact O-OH 3.05Å; Y53-Y59 AromaticContact CD2-CD1 3.81Å; Y53-Y59 HydrophobicContact CD2-CD1 3.81Å; Y53-Y59 HydrophobicContact CD2-CG 4.34Å; Y53-Y59 HydrophobicContact CE2-CD1 4.42Å; K54-Y59 HydrophobicContact CB-CE2 4.29Å; K56-Y59 HydrophobicContact CD-CE2 4.45Å; K56-Y59 VanDerWaalsContact CE-CE2 3.44Å; K56-Y59 HydrophobicContact CG-CD2 3.9Å; K56-Y59 HydrophobicContact CG-CE2 4.16Å; K56-Y59 PolarHBondContact O-N 3.37Å; Q57-Y59 VanDerWaalsContact C-N 3.35Å; Y59-L116 HydrophobicContact CE1-CD2 4.03Å; Y59-I133 HydrophobicContact CD1-CG2 3.99Å; Y59-I133 HydrophobicContact CE1-CG2 4.32Å; Y59-I135 HydrophobicContact CD1-CD1 4.45Å; Y59-I135 HydrophobicContact CD1-CG1 3.99Å; Y59-I135 HydrophobicContact CE1-CD1 3.74Å; Y59-I135 HydrophobicContact CE1-CG1 3.78Å; Y59-I135 HydrophobicContact CE2-CD1 4.36Å; Y59-I135 HydrophobicContact CE2-CG1 4.44Å; Y59-I135 HydrophobicContact CG-CG1 4.46Å; Y59-T148 HydrophobicContact CE2-CG2 4.32Å; Y59-T148 WeakPolarHBondContact OH-CG2 3.43Å
60V97.8Very high96.9Very high25 Ų2555.1 Ų55.115%0.15229%0.29CS..EExtended strand (participates in β ladder)trans-135.1154.5173.6-55.60000110.8Y62 L113 L134V60-Y62 HydrophobicContact CG2-CD2 4.2Å; V60-Y62 HydrophobicContact CG2-CE2 4.07Å; V60-L113 HydrophobicContact CG2-CD1 3.45Å; V60-L113 VanDerWaalsContact CG2-CD1 3.45Å; V60-L134 HydrophobicContact CG2-CB 3.62Å; V60-L134 HydrophobicContact CG2-CD1 4.38Å; V60-L134 PolarHBondContact N-O 3.49Å; V60-L134 PolarHBondContact O-N 3.36Å; V60-L134 VanDerWaalsContact O-O 3.12Å
61I98.3Very high96.8Very high4 Ų456.5 Ų56.52%0.02130%0.296CS..EExtended strand (participates in β ladder)trans-122.2131.4178.8-60.4179.7000108.3A39 P42 Y53 E131 V132A39-I61 HydrophobicContact CB-CB 4.35Å; A39-I61 HydrophobicContact CB-CG2 4.04Å; A39-I61 PolarHBondContact N-O 3.01Å; P42-I61 HydrophobicContact CB-CD1 3.45Å; P42-I61 VanDerWaalsContact CB-CD1 3.45Å; P42-I61 HydrophobicContact CG-CD1 3.97Å; Y53-I61 HydrophobicContact CD2-CD1 3.97Å; Y53-I61 HydrophobicContact CD2-CG1 4.19Å; Y53-I61 HydrophobicContact CE2-CD1 3.76Å; Y53-I61 HydrophobicContact CE2-CG1 4Å; I61-E131 HydrophobicContact CG2-CB 3.83Å; I61-E131 HydrophobicContact CG2-CG 3.86Å; I61-V132 WeakPolarHBondContact CA-O 3.45Å
62Y98.5Very high96.6Very high40 Ų4060.7 Ų60.716%0.15731%0.313CS..EExtended strand (participates in β ladder)trans-115.2136.1171.4-86.5-103.4000109.5L36 H37 R38 V60 E131 V132 L134L36-Y62 HydrophobicContact CD2-CD1 3.43Å; L36-Y62 VanDerWaalsContact CD2-CD1 3.43Å; L36-Y62 HydrophobicContact CD2-CE1 3.69Å; L36-Y62 HydrophobicContact CG-CD1 4.15Å; H37-Y62 CarbonylContact O-C 3.49Å; H37-Y62 WeakPolarHBondContact O-CA 3.39Å; R38-Y62 HydrophobicContact CB-CD1 4.44Å; R38-Y62 HydrophobicContact CB-CE1 4.04Å; R38-Y62 HydrophobicContact CB-CE2 4.27Å; R38-Y62 HydrophobicContact CG-CE2 4.21Å; V60-Y62 HydrophobicContact CG2-CD2 4.2Å; V60-Y62 HydrophobicContact CG2-CE2 4.07Å; Y62-E131 CarbonylContact O-C 3.55Å; Y62-E131 WeakPolarHBondContact O-CA 3.47Å; Y62-V132 PolarHBondContact N-O 3.3Å; Y62-V132 PolarHBondContact O-N 3.08Å; Y62-L134 HydrophobicContact CD2-CD1 3.39Å; Y62-L134 HydrophobicContact CE2-CD1 4.15Å; Y62-L134 HydrophobicContact CG-CD1 3.9Å
63R98.5Very high96.6Very high33 Ų3362.8 Ų62.813%0.12531%0.31CS..EExtended strand (participates in β ladder)trans-92.4132.5169.4-78.4169-166.6154.51.9108.7L36 H37 A39 T43 F130 E131L36-R63 WeakPolarHBondContact CA-O 3.31Å; H37-R63 PolarHBondContact N-O 2.75Å; H37-R63 VanDerWaalsContact N-O 3.07Å; H37-R63 WeakPolarHBondContact NE2-CB 3.47Å; H37-R63 VanDerWaalsContact NE2-CD 3.34Å; H37-R63 WeakPolarHBondContact NE2-CD 3.06Å; H37-R63 PolarHBondContact O-N 3.44Å; A39-R63 HydrophobicContact CB-CG 3.99Å; T43-R63 PolarHBondContact OG1-NH2 3.06Å; R63-F130 CarbonylContact C-O 3.53Å; R63-F130 WeakPolarHBondContact CA-O 3.41Å; R63-E131 HydrophobicContact CG-CG 3.47Å; R63-E131 VanDerWaalsContact CG-CG 3.47Å; R63-E131 IonicContact CZ-OE1 3.48Å; R63-E131 IonicContact NE-OE1 2.66Å; R63-E131 PolarHBondContact NE-OE1 3.46Å; R63-E131 IonicContact NH2-OE1 3.34Å; R63-E131 PolarHBondContact NH2-OE1 2.8Å
64V98.6Very high96.5Very high2 Ų266.5 Ų66.51%0.01234%0.339CS..EExtended strand (participates in β ladder)trans-129.8129.4179.1-175.30000108.6N35 L36 V66 A102 R105 A106 F130 V132N35-V64 WeakPolarHBondContact O-CA 3.49Å; L36-V64 HydrophobicContact CD1-CG2 4.1Å; L36-V64 HydrophobicContact CG-CG2 4.09Å; V64-V66 HydrophobicContact CG1-CG2 4.21Å; V64-A102 HydrophobicContact CB-CB 4.12Å; V64-A102 HydrophobicContact CG1-CB 4.06Å; V64-R105 HydrophobicContact CG1-CB 4.07Å; V64-A106 HydrophobicContact CG2-CB 4.07Å; V64-F130 PolarHBondContact N-O 2.9Å; V64-F130 PolarHBondContact O-N 2.88Å; V64-V132 HydrophobicContact CG2-CG2 4.16Å
65R98.1Very high96.6Very high44 Ų4464.5 Ų64.517%0.16633%0.334CS..EExtended strand (participates in β ladder)trans-97.4137.6168.176.7-171-179.5-171.31.4110.9R31 L33 N35 R105 Y127 K128 F129R31-R65 PolarHBondContact O-NH1 3.48Å; L33-R65 PolarHBondContact O-NH1 2.96Å; N35-R65 HydrophobicContact CB-CG 4.48Å; N35-R65 PolarHBondContact O-N 3.16Å; N35-R65 PolarHBondContact OD1-NE 3.27Å; N35-R65 PolarHBondContact OD1-NH2 3.15Å; R65-R105 PolarHBondContact O-NH1 2.87Å; R65-Y127 HydrophobicContact CB-CD1 4.38Å; R65-Y127 HydrophobicContact CG-CD1 4.15Å; R65-Y127 HydrophobicContact CG-CE1 4.48Å; R65-K128 WeakPolarHBondContact CA-O 3.48Å; R65-F129 HydrophobicContact CB-CD1 3.51Å; R65-F129 HydrophobicContact CB-CE1 3.51Å; R65-F129 HydrophobicContact CG-CE1 4.43Å
66V98.1Very high96.6Very high4 Ų465.3 Ų65.32%0.02433%0.331CS..EExtended strand (participates in β ladder)trans-127.6131.7177.8-174.20000108.6V64 R68 L98 T101 A102 Y127 K128 F130V64-V66 HydrophobicContact CG1-CG2 4.21Å; V66-R68 PolarHBondContact O-N 3.01Å; V66-L98 HydrophobicContact CG1-CB 4.28Å; V66-L98 HydrophobicContact CG1-CD2 3.81Å; V66-T101 HydrophobicContact CG1-CG2 4.22Å; V66-A102 HydrophobicContact CG2-CB 3.67Å; V66-Y127 WeakPolarHBondContact O-CA 3.28Å; V66-K128 PolarHBondContact N-O 3.41Å; V66-K128 PolarHBondContact O-N 2.87Å; V66-F130 HydrophobicContact CG2-CD2 4.43Å
67R97.6Very high96.6Very high172 Ų17273.1 Ų73.165%0.64937%0.365SS*.EExtended strand (participates in β ladder)trans-63.2135.1178.2-164.7170.9176158.5-1.3109.7T126 Y127R67-T126 CarbonylContact C-O 3.54Å; R67-T126 WeakPolarHBondContact CA-O 3.3Å; R67-T126 HydrophobicContact CG-CG2 4.37Å; R67-Y127 HydrophobicContact CB-CD1 4.27Å; R67-Y127 HydrophobicContact CB-CE1 4.14Å; R67-Y127 HydrophobicContact CG-CE1 4.43Å
68R97.2Very high96.5Very high97 Ų9767.9 Ų67.937%0.36635%0.348SS..  trans-75.1162.3175.5-67.7176.963.7176.4-0.1110.2V66 E123 D124 T126 K128V66-R68 PolarHBondContact O-N 3.01Å; R68-E123 IonicContact NH1-OE1 3.68Å; R68-D124 WeakPolarHBondContact CD-O 3.15Å; R68-D124 PolarHBondContact NH1-O 3.44Å; R68-T126 PolarHBondContact N-O 2.72Å; R68-K128 HydrophobicContact CG-CB 4.32Å; R68-K128 HydrophobicContact CG-CD 4.22Å; R68-K128 HydrophobicContact CG-CG 3.87Å
69G95Very high96.5Very high62 Ų6268.9 Ų68.964%0.63936%0.355SS*.SBendtrans107.5-178.4175.200000113.7
70G94.3Very high96.4Very high45 Ų4569.4 Ų69.446%0.46436%0.361SS..  trans-75.6-179.5170.900000111.7
71R93.2Very high96.2Very high161 Ų16178.5 Ų78.561%0.60839%0.393SS*.  trans-120.3113.8174.5-170.5174.8-178.2179.6-1.2108.1L92R71-L92 PolarHBondContact N-O 3.02Å
72K94.5Very high96.1Very high121 Ų12180.3 Ų80.353%0.52641%0.414SS..  trans-56.8141.5172.6-169.7-173.9175.7179.90109.4V89K72-V89 WeakPolarHBondContact CA-O 3.47Å; K72-V89 HydrophobicContact CD-CG1 4.06Å; K72-V89 HydrophobicContact CG-CG1 3.54Å
73R95.6Very high96Very high76 Ų7686 Ų8629%0.28744%0.439SS..  trans-60.6129.7169.4-169.6179.4-69.9-174.37.8109.3V75 H86 G88 V89 L92R73-V75 HydrophobicContact CB-CG2 4.25Å; R73-V75 HydrophobicContact CG-CG1 3.98Å; R73-V75 HydrophobicContact CG-CG2 4.22Å; R73-V75 PolarHBondContact O-N 3.27Å; R73-H86 VanDerWaalsContact CZ-O 3.25Å; R73-H86 PolarHBondContact NH1-O 2.73Å; R73-H86 PolarHBondContact NH2-O 3.09Å; R73-G88 PolarHBondContact NH2-O 2.73Å; R73-V89 HydrophobicContact CB-CG1 4.3Å; R73-V89 PolarHBondContact N-O 2.9Å; R73-V89 VanDerWaalsContact N-O 3.08Å; R73-L92 HydrophobicContact CB-CD1 3.82Å
74P95.8Very high95.9Very high118 Ų11889.6 Ų89.677%0.76647%0.467SS*.  trans-78.375.8179.133.2-34.9000110
75V96.6Very high95.9Very high32 Ų3295.1 Ų95.119%0.19450%0.5CS..  trans-120.7133.8175.6-77.30000111R73 K77 G78 A79 T80 V89R73-V75 HydrophobicContact CB-CG2 4.25Å; R73-V75 HydrophobicContact CG-CG1 3.98Å; R73-V75 HydrophobicContact CG-CG2 4.22Å; R73-V75 PolarHBondContact O-N 3.27Å; V75-K77 PolarHBondContact O-N 3.22Å; V75-G78 PolarHBondContact O-N 3.04Å; V75-A79 WeakPolarHBondContact CB-O 3.38Å; V75-T80 HydrophobicContact CG1-CG2 4.29Å; V75-T80 HydrophobicContact CG2-CG2 4.28Å; V75-V89 HydrophobicContact CG2-CG1 4.18Å; V75-V89 HydrophobicContact CG2-CG2 3.85Å
76P96Very high95.7Very high110 Ų11097.9 Ų97.971%0.71452%0.515SS*.G310 helixtrans-58.3130.3173.6-22.133.2000110.7G78 A79P76-G78 PolarHBondContact O-N 3.5Å; P76-A79 PolarHBondContact O-N 3.4Å
77K95.4Very high95.6Very high221 Ų221102.3 Ų102.396%0.96154%0.535SS*.G310 helixtrans51.913.9177.8-57.4-177.9179.9-179.60116V75 A79V75-K77 PolarHBondContact O-N 3.22Å; K77-A79 VanDerWaalsContact C-N 3.31Å
78G94.4Very high95.6Very high28 Ų2896 Ų9629%0.28952%0.523SS..G310 helixtrans81.72.8-175.200000115.1V75 P76 T80V75-G78 PolarHBondContact O-N 3.04Å; P76-G78 PolarHBondContact O-N 3.5Å; G78-T80 PolarHBondContact O-N 3.48Å
79A95.6Very high95.5Very high31 Ų3192.2 Ų92.226%0.25651%0.511SS..  trans-76.3119.8-177.300000111.4V75 P76 K77 Y81V75-A79 WeakPolarHBondContact CB-O 3.38Å; P76-A79 PolarHBondContact O-N 3.4Å; K77-A79 VanDerWaalsContact C-N 3.31Å; A79-Y81 HydrophobicContact CB-CD2 4.32Å; A79-Y81 HydrophobicContact CB-CE1 4.07Å; A79-Y81 HydrophobicContact CB-CE2 3.64Å
80T94.9Very high95.5Very high32 Ų3294.9 Ų94.920%0.19651%0.51CS..  trans-111.1-12.9-177.960.20000114.2V75 G78 G82 H87 V89V75-T80 HydrophobicContact CG1-CG2 4.29Å; V75-T80 HydrophobicContact CG2-CG2 4.28Å; G78-T80 PolarHBondContact O-N 3.48Å; T80-G82 PolarHBondContact O-N 3.23Å; T80-H87 WeakPolarHBondContact OG1-CA 3.38Å; T80-H87 PolarHBondContact OG1-CD2 3.44Å; T80-V89 HydrophobicContact CG2-CG2 4.27Å
81Y94.4Very high95.6Very high215 Ų215101.2 Ų101.284%0.84353%0.528SS*.  trans46.852.7174.8-50.9-71.6000114.4A79A79-Y81 HydrophobicContact CB-CD2 4.32Å; A79-Y81 HydrophobicContact CB-CE1 4.07Å; A79-Y81 HydrophobicContact CB-CE2 3.64Å
82G94.9Very high95.7Very high43 Ų4396.6 Ų96.644%0.44352%0.515SS..SBendtrans-154.6-165.9-179.700000113.4T80 H87T80-G82 PolarHBondContact O-N 3.23Å; G82-H87 PolarHBondContact O-NE2 3.27Å
83K97.3Very high95.7Very high159 Ų15999 Ų9969%0.69153%0.525SS*.  trans-59.6146.9176.4-62.2-175.1179.2-174.60111.1V85 H86 H87K83-V85 HydrophobicContact CB-CG1 4.13Å; K83-V85 PolarHBondContact O-N 2.68Å; K83-H86 PolarHBondContact O-N 3.21Å; K83-H87 PolarHBondContact O-CD2 3.03Å
84P96.9Very high95.7Very high108 Ų10899.1 Ų99.170%0.70153%0.528SS*.G310 helixtrans-51.5-34.9-177.5-30.936.3000115H86 H87P84-H86 PolarHBondContact O-N 3.3Å; P84-H87 WeakPolarHBondContact O-CB 3.39Å; P84-H87 PolarHBondContact O-N 3.41Å
85V97.1Very high95.5Very high118 Ų11897.8 Ų97.872%0.71553%0.527SS*.G310 helixtrans-56.8-23.7175.867.80000113.7K83K83-V85 HydrophobicContact CB-CG1 4.13Å; K83-V85 PolarHBondContact O-N 2.68Å
86H95.8Very high95.5Very high103 Ų103100.3 Ų100.348%0.47753%0.533SS..G310 helixtrans-97.40.5179.9-60.4-48.6000113.9R73 K83 P84 G88R73-H86 VanDerWaalsContact CZ-O 3.25Å; R73-H86 PolarHBondContact NH1-O 2.73Å; R73-H86 PolarHBondContact NH2-O 3.09Å; K83-H86 PolarHBondContact O-N 3.21Å; P84-H86 PolarHBondContact O-N 3.3Å; H86-G88 VanDerWaalsContact C-N 3.26Å; H86-G88 PolarHBondContact O-N 3.07Å
87H95.9Very high95.5Very high96 Ų9697.3 Ų97.344%0.44452%0.515SS..  trans-75.6-7.7-176.9-69.7-169.3000114.4T80 G82 K83 P84 V89T80-H87 WeakPolarHBondContact OG1-CA 3.38Å; T80-H87 PolarHBondContact OG1-CD2 3.44Å; G82-H87 PolarHBondContact O-NE2 3.27Å; K83-H87 PolarHBondContact O-CD2 3.03Å; P84-H87 WeakPolarHBondContact O-CB 3.39Å; P84-H87 PolarHBondContact O-N 3.41Å; H87-V89 WeakPolarHBondContact O-CG2 3.42Å; H87-V89 PolarHBondContact O-N 3.13Å
88G95.9Very high95.6Very high39 Ų3988.9 Ų88.940%0.40248%0.48SS..  trans-63.8124.4179.300000113.9R73 H86R73-G88 PolarHBondContact NH2-O 2.73Å; H86-G88 VanDerWaalsContact C-N 3.26Å; H86-G88 PolarHBondContact O-N 3.07Å
89V96.3Very high95.8Very high18 Ų1889.6 Ų89.611%0.10948%0.476CS..  trans-116.1-48.2-177.2177.30000113.7K72 R73 V75 T80 H87K72-V89 WeakPolarHBondContact CA-O 3.47Å; K72-V89 HydrophobicContact CD-CG1 4.06Å; K72-V89 HydrophobicContact CG-CG1 3.54Å; R73-V89 HydrophobicContact CB-CG1 4.3Å; R73-V89 PolarHBondContact N-O 2.9Å; R73-V89 VanDerWaalsContact N-O 3.08Å; V75-V89 HydrophobicContact CG2-CG1 4.18Å; V75-V89 HydrophobicContact CG2-CG2 3.85Å; T80-V89 HydrophobicContact CG2-CG2 4.27Å; H87-V89 WeakPolarHBondContact O-CG2 3.42Å; H87-V89 PolarHBondContact O-N 3.13Å
90N95.1Very high95.9Very high118 Ų11888.1 Ų88.163%0.63146%0.464SS*.SBendtrans-89.3-41.9-164.1-68.1-25.8000114.8L92N90-L92 VanDerWaalsContact C-N 3.25Å; N90-L92 PolarHBondContact O-N 3.08Å
91Q95.3Very high96.1Very high178 Ų17887.7 Ų87.783%0.83246%0.461SS*.SBendtrans-86.511.4-170.4-64-176.1-200114.2
92L95.6Very high96.2Very high64 Ų6477.4 Ų77.434%0.33542%0.421SS..  trans-68.8137.1-179.2-58.3178.3000112R71 R73 N90R71-L92 PolarHBondContact N-O 3.02Å; R73-L92 HydrophobicContact CB-CD1 3.82Å; N90-L92 VanDerWaalsContact C-N 3.25Å; N90-L92 PolarHBondContact O-N 3.08Å
93K95.1Very high96.4Very high171 Ų17175.4 Ų75.474%0.74340%0.4SS*.  trans-104.6141.1174.9-50.9-56.2176.8-175.50109.5
94F94.6Very high96.5Very high80 Ų8068.4 Ų68.435%0.35137%0.369SS..  trans-73.3139177.4-169.8-130.7000110.4R96F94-R96 HydrophobicContact CD1-CB 4Å; F94-R96 WeakPolarHBondContact CD1-O 3.13Å; F94-R96 HydrophobicContact CE1-CB 3.7Å; F94-R96 HydrophobicContact CE1-CG 4.26Å; F94-R96 VanDerWaalsContact CE1-NE 3.34Å; F94-R96 HydrophobicContact CZ-CB 4.43Å; F94-R96 VanDerWaalsContact CZ-NE 3.26Å; F94-R96 PolarHBondContact O-N 3Å
95A93.4Very high96.5Very high89 Ų8968.5 Ų68.574%0.73636%0.356SS*.SBendtrans-65.1-24.8-17600000113.6S171A95-S171 WeakPolarHBondContact O-CB 3.32Å
96R95.1Very high96.6Very high85 Ų8562.9 Ų62.932%0.32132%0.322SS..SBendtrans-105.9154.4-178.9-56.3178.8-61177.420.2111F94 E104F94-R96 HydrophobicContact CD1-CB 4Å; F94-R96 WeakPolarHBondContact CD1-O 3.13Å; F94-R96 HydrophobicContact CE1-CB 3.7Å; F94-R96 HydrophobicContact CE1-CG 4.26Å; F94-R96 VanDerWaalsContact CE1-NE 3.34Å; F94-R96 HydrophobicContact CZ-CB 4.43Å; F94-R96 VanDerWaalsContact CZ-NE 3.26Å; F94-R96 PolarHBondContact O-N 3Å; R96-E104 IonicContact CZ-OE1 3.87Å; R96-E104 IonicContact CZ-OE2 3.54Å; R96-E104 IonicContact NH1-OE1 3.91Å; R96-E104 PolarHBondContact NH1-OE1 2.92Å; R96-E104 IonicContact NH1-OE2 2.65Å; R96-E104 PolarHBondContact NH1-OE2 3.15Å; R96-E104 IonicContact NH2-OE1 2.73Å; R96-E104 IonicContact NH2-OE2 3.48Å; R96-E104 PolarHBondContact NH2-OE2 3.16Å
97S96.6Very high96.7Very high47 Ų4758 Ų5833%0.32930%0.3SS..  trans-68.4154.6176.667.10000112.3Q99 S100 T101S97-Q99 PolarHBondContact O-N 2.93Å; S97-S100 PolarHBondContact O-N 3.33Å; S97-S100 WeakPolarHBondContact OG-CB 3.37Å; S97-S100 PolarHBondContact OG-N 2.99Å; S97-S100 VanDerWaalsContact OG-N 3.09Å; S97-T101 PolarHBondContact O-N 2.87Å; S97-T101 PolarHBondContact O-OG1 2.92Å
98L97.9Very high96.7Very high44 Ų4462 Ų6223%0.2331%0.31CS..Hα-helixtrans-60.5-32.2171.6-63.5176.2000111.7V66 T101 A102 K128 F130V66-L98 HydrophobicContact CG1-CB 4.28Å; V66-L98 HydrophobicContact CG1-CD2 3.81Å; L98-T101 WeakPolarHBondContact O-CB 3.29Å; L98-T101 PolarHBondContact O-N 2.99Å; L98-A102 PolarHBondContact O-N 3.06Å; L98-K128 HydrophobicContact CD1-CD 3.78Å; L98-F130 HydrophobicContact CB-CE2 4.15Å; L98-F130 HydrophobicContact CB-CZ 4.31Å
99Q98.2Very high96.8Very high43 Ų4366.1 Ų66.120%0.20132%0.319CS..Hα-helixtrans-63.6-45.2174.6-174178.13.100111.8S97 T101 A102 E103 S118 F130 A167S97-Q99 PolarHBondContact O-N 2.93Å; Q99-T101 VanDerWaalsContact C-N 3.28Å; Q99-T101 PolarHBondContact O-N 2.86Å; Q99-A102 WeakPolarHBondContact O-CB 3.42Å; Q99-A102 PolarHBondContact O-N 3.38Å; Q99-A102 VanDerWaalsContact O-N 3.15Å; Q99-E103 PolarHBondContact O-N 3.12Å; Q99-S118 WeakPolarHBondContact CG-OG 3.42Å; Q99-S118 VanDerWaalsContact NE2-C 3.29Å; Q99-S118 PolarHBondContact NE2-O 3.37Å; Q99-S118 PolarHBondContact NE2-OG 3.36Å; Q99-F130 HydrophobicContact CB-CD1 4.05Å; Q99-F130 HydrophobicContact CB-CE1 3.63Å; Q99-F130 HydrophobicContact CB-CZ 3.9Å; Q99-F130 HydrophobicContact CG-CD1 3.84Å; Q99-F130 HydrophobicContact CG-CE1 3.88Å; Q99-A167 HydrophobicContact CB-CB 4.1Å; Q99-A167 HydrophobicContact CG-CB 3.76Å
100S97.9Very high96.8Very high1 Ų165.9 Ų65.91%0.00732%0.318CS..Hα-helixtrans-63.4-35.61741730000111.7S97 A102 E103 E104S97-S100 PolarHBondContact O-N 3.33Å; S97-S100 WeakPolarHBondContact OG-CB 3.37Å; S97-S100 PolarHBondContact OG-N 2.99Å; S97-S100 VanDerWaalsContact OG-N 3.09Å; S100-A102 VanDerWaalsContact C-N 3.32Å; S100-A102 PolarHBondContact O-N 3.48Å; S100-E103 PolarHBondContact O-N 2.67Å; S100-E104 PolarHBondContact O-N 3.35Å
101T97.9Very high96.8Very high22 Ų2261.9 Ų61.914%0.13531%0.305CS..Hα-helixtrans-65.3-36.5174.1-54.70000111.7V66 S97 L98 Q99 E104 R105V66-T101 HydrophobicContact CG1-CG2 4.22Å; S97-T101 PolarHBondContact O-N 2.87Å; S97-T101 PolarHBondContact O-OG1 2.92Å; L98-T101 WeakPolarHBondContact O-CB 3.29Å; L98-T101 PolarHBondContact O-N 2.99Å; Q99-T101 VanDerWaalsContact C-N 3.28Å; Q99-T101 PolarHBondContact O-N 2.86Å; T101-E104 PolarHBondContact O-N 3.03Å; T101-R105 WeakPolarHBondContact O-CG 3.33Å; T101-R105 PolarHBondContact O-N 3.26Å; T101-R105 VanDerWaalsContact O-N 3.08Å
102A98.4Very high96.9Very high0 Ų056.5 Ų56.50%029%0.291CS..Hα-helixtrans-65-44174.500000111.8V64 V66 L98 Q99 S100 E104 R105 A106 F130V64-A102 HydrophobicContact CB-CB 4.12Å; V64-A102 HydrophobicContact CG1-CB 4.06Å; V66-A102 HydrophobicContact CG2-CB 3.67Å; L98-A102 PolarHBondContact O-N 3.06Å; Q99-A102 WeakPolarHBondContact O-CB 3.42Å; Q99-A102 PolarHBondContact O-N 3.38Å; Q99-A102 VanDerWaalsContact O-N 3.15Å; S100-A102 VanDerWaalsContact C-N 3.32Å; S100-A102 PolarHBondContact O-N 3.48Å; A102-E104 VanDerWaalsContact C-N 3.32Å; A102-E104 PolarHBondContact O-N 3.49Å; A102-R105 PolarHBondContact O-N 3.05Å; A102-A106 PolarHBondContact O-N 3.41Å; A102-F130 HydrophobicContact CB-CB 3.93Å; A102-F130 HydrophobicContact CB-CD2 3.64Å; A102-F130 HydrophobicContact CB-CE2 4.47Å; A102-F130 HydrophobicContact CB-CG 4.02Å
103E98.6Very high97Very high0 Ų054.9 Ų54.90%028%0.282CS..Hα-helixtrans-58.8-43175.4-70.6175169.300111.8Q99 S100 A106 G107 V115 S118 V132 E160 T165Q99-E103 PolarHBondContact O-N 3.12Å; S100-E103 PolarHBondContact O-N 2.67Å; E103-A106 PolarHBondContact O-N 2.59Å; E103-G107 PolarHBondContact O-N 2.89Å; E103-V115 HydrophobicContact CB-CG1 4.2Å; E103-V115 HydrophobicContact CG-CG1 4.13Å; E103-S118 VanDerWaalsContact CD-OG 3.32Å; E103-S118 WeakPolarHBondContact CG-OG 3.27Å; E103-S118 WeakPolarHBondContact OE1-CB 3.46Å; E103-S118 PolarHBondContact OE1-OG 3.36Å; E103-V132 HydrophobicContact CG-CG1 4.4Å; E103-E160 HydrophobicContact CB-CB 3.98Å; E103-T165 WeakPolarHBondContact OE2-CB 3.17Å; E103-T165 WeakPolarHBondContact OE2-CG2 3.25Å; E103-T165 PolarHBondContact OE2-OG1 3.42Å
104E98.1Very high97.2Very high12 Ų1248 Ų486%0.05625%0.252CS..Hα-helixtrans-66.8-39.7177.5-73.7-176.5174.500113.3R96 S100 T101 A102 A106 G107 R108 E160 M161R96-E104 IonicContact CZ-OE1 3.87Å; R96-E104 IonicContact CZ-OE2 3.54Å; R96-E104 IonicContact NH1-OE1 3.91Å; R96-E104 PolarHBondContact NH1-OE1 2.92Å; R96-E104 IonicContact NH1-OE2 2.65Å; R96-E104 PolarHBondContact NH1-OE2 3.15Å; R96-E104 IonicContact NH2-OE1 2.73Å; R96-E104 IonicContact NH2-OE2 3.48Å; R96-E104 PolarHBondContact NH2-OE2 3.16Å; S100-E104 PolarHBondContact O-N 3.35Å; T101-E104 PolarHBondContact O-N 3.03Å; A102-E104 VanDerWaalsContact C-N 3.32Å; A102-E104 PolarHBondContact O-N 3.49Å; E104-A106 VanDerWaalsContact C-N 3.32Å; E104-A106 PolarHBondContact O-N 2.85Å; E104-G107 PolarHBondContact O-N 3.07Å; E104-R108 WeakPolarHBondContact O-CB 3.26Å; E104-R108 VanDerWaalsContact O-CG 3.29Å; E104-R108 WeakPolarHBondContact O-CG 3.33Å; E104-R108 PolarHBondContact O-N 3.18Å; E104-E160 HydrophobicContact CG-CB 4.42Å; E104-E160 HydrophobicContact CG-CG 4.26Å; E104-M161 HydrophobicContact CG-CG 4.48Å
105R98.3Very high97.3Very high111 Ų11144.2 Ų44.242%0.41924%0.235SC..Hα-helixtrans-60.5-45174.3-73.3175.1179.7-163.1-6.1110.9L36 V64 R65 T101 A102 H109L36-R105 HydrophobicContact CD1-CB 4.47Å; L36-R105 WeakPolarHBondContact CD1-O 3.19Å; V64-R105 HydrophobicContact CG1-CB 4.07Å; R65-R105 PolarHBondContact O-NH1 2.87Å; T101-R105 WeakPolarHBondContact O-CG 3.33Å; T101-R105 PolarHBondContact O-N 3.26Å; T101-R105 VanDerWaalsContact O-N 3.08Å; A102-R105 PolarHBondContact O-N 3.05Å; R105-H109 WeakPolarHBondContact O-CB 3.33Å; R105-H109 PolarHBondContact O-N 2.9Å; R105-H109 VanDerWaalsContact O-N 3.11Å
106A98.1Very high97.6Very high0 Ų041 Ų410%021%0.206CC..Hα-helixtrans-62.3-46.917500000112.5V64 A102 E103 E104 R108 H109 C110 V132 L134V64-A106 HydrophobicContact CG2-CB 4.07Å; A102-A106 PolarHBondContact O-N 3.41Å; E103-A106 PolarHBondContact O-N 2.59Å; E104-A106 VanDerWaalsContact C-N 3.32Å; E104-A106 PolarHBondContact O-N 2.85Å; A106-R108 VanDerWaalsContact C-N 3.35Å; A106-R108 PolarHBondContact O-N 3.2Å; A106-H109 PolarHBondContact O-N 3.08Å; A106-C110 VanDerWaalsContact O-CB 3.31Å; A106-C110 WeakPolarHBondContact O-CB 3.29Å; A106-C110 PolarHBondContact O-N 2.58Å; A106-V132 HydrophobicContact CB-CB 3.96Å; A106-V132 HydrophobicContact CB-CG1 3.9Å; A106-V132 HydrophobicContact CB-CG2 3.94Å; A106-L134 HydrophobicContact CB-CD1 4.45Å
107G97.7Very high97.7Very high1 Ų138.1 Ų38.11%0.0120%0.196CC..Hα-helixtrans-66.4-32.8-179.700000113.8E103 E104 C110E103-G107 PolarHBondContact O-N 2.89Å; E104-G107 PolarHBondContact O-N 3.07Å; G107-C110 CarbonylContact O-C 3.6Å
108R97.6Very high97.8Very high178 Ų17836 Ų3667%0.67218%0.181SC*.Hα-helixtrans-70.3-44.9173.6-73.6-178.4-177.1-162.2-1.9112.3E104 A106 M161E104-R108 WeakPolarHBondContact O-CB 3.26Å; E104-R108 VanDerWaalsContact O-CG 3.29Å; E104-R108 WeakPolarHBondContact O-CG 3.33Å; E104-R108 PolarHBondContact O-N 3.18Å; A106-R108 VanDerWaalsContact C-N 3.35Å; A106-R108 PolarHBondContact O-N 3.2Å; R108-M161 HydrophobicContact CB-CE 4.45Å; R108-M161 HydrophobicContact CG-CE 3.45Å; R108-M161 VanDerWaalsContact CG-CE 3.45Å
109H97.3Very high97.8Very high127 Ų12734 Ų3459%0.58817%0.171SC*.Hα-helixtrans-68.9-42.2179.5-172.878.4000111.6L36 R105 A106 G111L36-H109 HydrophobicContact CD1-CB 3.66Å; L36-H109 HydrophobicContact CD2-CB 4.08Å; L36-H109 WeakPolarHBondContact CD2-CD2 3.25Å; R105-H109 WeakPolarHBondContact O-CB 3.33Å; R105-H109 PolarHBondContact O-N 2.9Å; R105-H109 VanDerWaalsContact O-N 3.11Å; A106-H109 PolarHBondContact O-N 3.08Å; H109-G111 PolarHBondContact O-N 3.04Å
110C96.6Very high97.8Very high12 Ų1234.4 Ų34.48%0.08117%0.171CC..THydrogen-bonded Turntrans-100.358.2-179.1-58.50000111.6A106 G107 A112 L113 L134A106-C110 VanDerWaalsContact O-CB 3.31Å; A106-C110 WeakPolarHBondContact O-CB 3.29Å; A106-C110 PolarHBondContact O-N 2.58Å; G107-C110 CarbonylContact O-C 3.6Å; C110-A112 PolarHBondContact O-N 3.21Å; C110-A112 VanDerWaalsContact O-N 3.15Å; C110-L113 HydrophobicContact CB-CB 4.14Å; C110-L113 HydrophobicContact CB-CD1 3.93Å; C110-L113 HydrophobicContact CB-CG 4.17Å; C110-L113 PolarHBondContact O-N 3.37Å; C110-L134 HydrophobicContact CB-CD1 4.29Å; C110-L134 HydrophobicContact CB-CD2 4.35Å
111G94.9Very high97.8Very high35 Ų3534.4 Ų34.436%0.36117%0.171SC..THydrogen-bonded Turntrans-58-30-171.600000115.5H109 L113H109-G111 PolarHBondContact O-N 3.04Å; G111-L113 VanDerWaalsContact C-N 3.32Å
112A96.9Very high97.8Very high64 Ų6433.4 Ų33.453%0.52917%0.165SC..THydrogen-bonded Turntrans-71.5-26.1176.300000113.2C110 P137C110-A112 PolarHBondContact O-N 3.21Å; C110-A112 VanDerWaalsContact O-N 3.15Å; A112-P137 WeakPolarHBondContact O-CD 3.37Å; A112-P137 WeakPolarHBondContact O-CG 3.4Å
113L97.9Very high97.7Very high31 Ų3136.9 Ų36.916%0.16218%0.181CC..SBendtrans-89.4170-175.7-56.8-176.9000111.9V60 C110 G111 L134 D136V60-L113 HydrophobicContact CG2-CD1 3.45Å; V60-L113 VanDerWaalsContact CG2-CD1 3.45Å; C110-L113 HydrophobicContact CB-CB 4.14Å; C110-L113 HydrophobicContact CB-CD1 3.93Å; C110-L113 HydrophobicContact CB-CG 4.17Å; C110-L113 PolarHBondContact O-N 3.37Å; G111-L113 VanDerWaalsContact C-N 3.32Å; L113-L134 HydrophobicContact CB-CB 4.2Å; L113-L134 HydrophobicContact CB-CD2 3.95Å; L113-L134 HydrophobicContact CD1-CB 4Å; L113-L134 HydrophobicContact CD1-CD1 4.38Å; L113-D136 HydrophobicContact CD2-CB 3.69Å
114R98.3Very high97.6Very high25 Ų2538.1 Ų38.19%0.09419%0.187CC..EExtended strand (participates in β ladder)trans-118.3125.4177-60.8-66.4172-126.8-11.8110.5L116 L134 I135 P137 I151 H156R114-L116 PolarHBondContact O-N 3.16Å; R114-L134 CarbonylContact O-C 3.57Å; R114-L134 VanDerWaalsContact O-CA 3.31Å; R114-L134 WeakPolarHBondContact O-CA 3.38Å; R114-I135 PolarHBondContact N-O 2.53Å; R114-I135 PolarHBondContact O-N 2.65Å; R114-P137 HydrophobicContact CG-CB 4.14Å; R114-P137 HydrophobicContact CG-CG 4.03Å; R114-I151 HydrophobicContact CB-CD1 3.88Å; R114-I151 HydrophobicContact CB-CG1 3.98Å; R114-H156 WeakPolarHBondContact CD-O 3.27Å
115V98.5Very high97.5Very high2 Ų242.3 Ų42.31%0.01222%0.218CC..EExtended strand (participates in β ladder)trans-69.5118.8173.4179.40000109.4E103 V132 L134 E160 T165E103-V115 HydrophobicContact CB-CG1 4.2Å; E103-V115 HydrophobicContact CG-CG1 4.13Å; V115-V132 HydrophobicContact CG1-CG1 3.81Å; V115-V132 HydrophobicContact CG2-CG1 4.33Å; V115-L134 HydrophobicContact CB-CD2 4.41Å; V115-L134 HydrophobicContact CG2-CD2 3.63Å; V115-E160 HydrophobicContact CB-CB 4.22Å; V115-E160 HydrophobicContact CB-CG 4.49Å; V115-E160 HydrophobicContact CG1-CB 4.38Å; V115-E160 HydrophobicContact CG2-CB 4.16Å; V115-E160 HydrophobicContact CG2-CG 3.96Å; V115-T165 HydrophobicContact CG1-CG2 3.97Å
116L97.9Very high97.4Very high22 Ų2239.2 Ų39.212%0.11521%0.212CC..EExtended strand (participates in β ladder)trans-84.7-58.8173-179.569.9000110.3Y59 R114 I133 I135 W150 I151Y59-L116 HydrophobicContact CE1-CD2 4.03Å; R114-L116 PolarHBondContact O-N 3.16Å; L116-I133 HydrophobicContact CB-CB 4.34Å; L116-I133 HydrophobicContact CB-CG2 4.14Å; L116-I133 HydrophobicContact CD2-CG2 3.85Å; L116-I133 PolarHBondContact N-O 3.22Å; L116-I135 HydrophobicContact CB-CD1 4.08Å; L116-I135 HydrophobicContact CB-CG1 4.29Å; L116-I135 HydrophobicContact CD1-CD1 3.97Å; L116-I135 HydrophobicContact CD2-CD1 3.99Å; L116-I135 HydrophobicContact CG-CD1 4.22Å; L116-W150 HydrophobicContact CD1-CH2 4.39Å; L116-W150 HydrophobicContact CD1-CZ2 3.97Å; L116-I151 HydrophobicContact CB-CD1 4.29Å; L116-I151 HydrophobicContact CD1-CD1 3.96Å
117N98.4Very high97.4Very high23 Ų2341.9 Ų41.912%0.12322%0.222CC..EExtended strand (participates in β ladder)trans-165.3178.4-174.6-140.5-33.7000110.6L51 I133 S166L51-N117 HydrophobicContact CB-CB 4.01Å; L51-N117 WeakPolarHBondContact CD2-ND2 3.42Å; N117-I133 HydrophobicContact CB-CD1 4.47Å; N117-I133 PolarHBondContact O-N 2.83Å; N117-S166 PolarHBondContact OD1-OG 3.49Å
118S98.5Very high97.4Very high2 Ų244.6 Ų44.61%0.01423%0.234CC..EExtended strand (participates in β ladder)trans-147.2164.7175.362.80000112.1L51 Q99 E103 E131L51-S118 VanDerWaalsContact CD1-O 3.3Å; L51-S118 WeakPolarHBondContact CD1-O 3.5Å; Q99-S118 WeakPolarHBondContact CG-OG 3.42Å; Q99-S118 VanDerWaalsContact NE2-C 3.29Å; Q99-S118 PolarHBondContact NE2-O 3.37Å; Q99-S118 PolarHBondContact NE2-OG 3.36Å; E103-S118 VanDerWaalsContact CD-OG 3.32Å; E103-S118 WeakPolarHBondContact CG-OG 3.27Å; E103-S118 WeakPolarHBondContact OE1-CB 3.46Å; E103-S118 PolarHBondContact OE1-OG 3.36Å; S118-E131 CarbonylContact C-O 3.59Å; S118-E131 WeakPolarHBondContact CA-O 3.34Å; S118-E131 WeakPolarHBondContact CB-O 3.33Å
119Y98.6Very high97.5Very high3 Ų336.5 Ų36.51%0.01220%0.203CC..EExtended strand (participates in β ladder)trans-150.4154.1174.654-83.6000112.7P42 R44 K47 A48 L51 V121 F130 E131 I133P42-Y119 VanDerWaalsContact CB-OH 3.25Å; P42-Y119 WeakPolarHBondContact CB-OH 3.43Å; R44-Y119 HydrophobicContact CB-CD2 4.25Å; R44-Y119 HydrophobicContact CB-CE2 3.76Å; R44-Y119 HydrophobicContact CG-CE2 4.28Å; K47-Y119 HydrophobicContact CB-CD2 4.46Å; K47-Y119 HydrophobicContact CG-CD2 4.13Å; K47-Y119 HydrophobicContact CG-CG 3.89Å; A48-Y119 HydrophobicContact CB-CE1 3.84Å; L51-Y119 HydrophobicContact CD1-CD1 3.74Å; L51-Y119 HydrophobicContact CD1-CG 4.15Å; Y119-V121 HydrophobicContact CD2-CG1 3.71Å; Y119-V121 HydrophobicContact CE2-CG1 3.61Å; Y119-F130 CarbonylContact O-C 3.55Å; Y119-F130 VanDerWaalsContact O-CA 3.27Å; Y119-F130 WeakPolarHBondContact O-CA 3.11Å; Y119-E131 HydrophobicContact CD1-CB 4.46Å; Y119-E131 HydrophobicContact CD2-CB 4.24Å; Y119-E131 HydrophobicContact CE1-CB 3.95Å; Y119-E131 HydrophobicContact CE2-CB 3.71Å; Y119-E131 HydrophobicContact CE2-CG 4.41Å; Y119-E131 WeakPolarHBondContact CE2-OE2 3.33Å; Y119-E131 PolarHBondContact N-O 2.89Å; Y119-E131 PolarHBondContact O-N 3.32Å; Y119-E131 PolarHBondContact OH-OE2 3.48Å; Y119-I133 HydrophobicContact CD1-CD1 4.25Å; Y119-I133 HydrophobicContact CE1-CD1 3.95Å; Y119-I133 HydrophobicContact CE1-CG1 3.96Å
120W98.3Very high97.5Very high52 Ų5231 Ų3120%0.19718%0.178CC..EExtended strand (participates in β ladder)trans-73.1137.8175.8178.397.4000111.2W11 K14 L23 R44 G122 E123 F130W11-W120 HydrophobicContact CZ3-CZ3 4.09Å; K14-W120 HydrophobicContact CD-CH2 4.27Å; K14-W120 HydrophobicContact CD-CZ3 4.1Å; L23-W120 HydrophobicContact CD1-CH2 3.98Å; L23-W120 HydrophobicContact CD2-CH2 3.99Å; L23-W120 HydrophobicContact CD2-CZ3 4.28Å; R44-W120 PolarHBondContact NH1-O 3.43Å; W120-G122 VanDerWaalsContact CE2-C 3.44Å; W120-G122 VanDerWaalsContact CZ2-C 3.42Å; W120-G122 PolarHBondContact NE1-O 2.86Å; W120-E123 HydrophobicContact CZ2-CB 4.29Å; W120-E123 HydrophobicContact CZ2-CG 3.98Å; W120-E123 PolarHBondContact NE1-OE2 3.19Å; W120-F130 HydrophobicContact CB-CD1 4.18Å; W120-F130 HydrophobicContact CB-CE1 4.06Å
121V97.6Very high97.6Very high1 Ų130.4 Ų30.41%0.00617%0.174CC..EExtended strand (participates in β ladder)trans-125.1-14.4179.4-64.80000114.3L23 Y30 Y119 F129 E131L23-V121 WeakPolarHBondContact CD2-O 3.47Å; Y30-V121 HydrophobicContact CE2-CB 4.49Å; Y30-V121 HydrophobicContact CE2-CG2 3.93Å; Y119-V121 HydrophobicContact CD2-CG1 3.71Å; Y119-V121 HydrophobicContact CE2-CG1 3.61Å; V121-F129 HydrophobicContact CG2-CB 3.73Å; V121-F129 WeakPolarHBondContact CG2-O 3.39Å; V121-F129 PolarHBondContact N-O 2.92Å; V121-E131 HydrophobicContact CG1-CB 3.93Å; V121-E131 HydrophobicContact CG1-CG 3.7Å; V121-E131 HydrophobicContact CG2-CG 4.33Å
122G97.1Very high97.8Very high1 Ų128.7 Ų28.71%0.0116%0.156CC..EExtended strand (participates in β ladder)trans173.6163.2179.100000111.6W120 F129W120-G122 VanDerWaalsContact CE2-C 3.44Å; W120-G122 VanDerWaalsContact CZ2-C 3.42Å; W120-G122 PolarHBondContact NE1-O 2.86Å; G122-F129 WeakPolarHBondContact O-CD2 3.45Å; G122-F129 PolarHBondContact O-N 2.69Å
123E97.4Very high97.9Very high73 Ų7325.7 Ų25.734%0.34113%0.131SC..EExtended strand (participates in β ladder)trans-150.9147.2168.770.5-166.5-136.600110.9R68 W120 Y127 K128R68-E123 IonicContact NH1-OE1 3.68Å; W120-E123 HydrophobicContact CZ2-CB 4.29Å; W120-E123 HydrophobicContact CZ2-CG 3.98Å; W120-E123 PolarHBondContact NE1-OE2 3.19Å; E123-Y127 WeakPolarHBondContact CA-O 3.41Å; E123-K128 HydrophobicContact CB-CG 3.65Å; E123-K128 WeakPolarHBondContact OE2-CE 3.42Å; E123-K128 IonicContact OE2-NZ 3.97Å
124D96Very high97.9Very high25 Ų2524.2 Ų24.213%0.13412%0.124CC..  trans-117.9-176.7168.267.951.5000109.1R31 R68 T126 Y127R31-D124 IonicContact CZ-OD1 2.75Å; R31-D124 IonicContact CZ-OD2 3.61Å; R31-D124 IonicContact NE-OD1 3.95Å; R31-D124 IonicContact NE-OD2 3.68Å; R31-D124 PolarHBondContact NE-OD2 3.47Å; R31-D124 IonicContact NH2-OD1 3.9Å; R31-D124 PolarHBondContact NH2-OD1 3.13Å; R31-D124 IonicContact NH2-OD2 2.67Å; R31-D124 PolarHBondContact NH2-OD2 3.08Å; R68-D124 WeakPolarHBondContact CD-O 3.15Å; R68-D124 PolarHBondContact NH1-O 3.44Å; D124-T126 PolarHBondContact O-N 2.76Å; D124-T126 WeakPolarHBondContact OD1-CA 3.38Å; D124-T126 WeakPolarHBondContact OD1-CB 3.35Å; D124-T126 PolarHBondContact OD1-N 2.76Å; D124-Y127 PolarHBondContact N-O 3.18Å; D124-Y127 PolarHBondContact OD1-N 3.18Å
125S95.4Very high97.9Very high100 Ų10023 Ų2370%0.69912%0.119SC*.SBendtrans-55.7-33.4-179.359.10000113.9
126T96.6Very high97.9Very high46 Ų4625 Ų2528%0.28213%0.13SC..SBendtrans-104.6-32.5-170.6-50.90000112.8R31 R67 R68 D124R31-T126 PolarHBondContact NH2-OG1 2.66Å; R67-T126 CarbonylContact C-O 3.54Å; R67-T126 WeakPolarHBondContact CA-O 3.3Å; R67-T126 HydrophobicContact CG-CG2 4.37Å; R68-T126 PolarHBondContact N-O 2.72Å; D124-T126 PolarHBondContact O-N 2.76Å; D124-T126 WeakPolarHBondContact OD1-CA 3.38Å; D124-T126 WeakPolarHBondContact OD1-CB 3.35Å; D124-T126 PolarHBondContact OD1-N 2.76Å
127Y98.2Very high97.9Very high56 Ų5624.2 Ų24.222%0.2213%0.126CC..EExtended strand (participates in β ladder)trans-128.3150.2-172.1-63.9-78.4000113.1R65 V66 R67 E123 D124R65-Y127 HydrophobicContact CB-CD1 4.38Å; R65-Y127 HydrophobicContact CG-CD1 4.15Å; R65-Y127 HydrophobicContact CG-CE1 4.48Å; V66-Y127 WeakPolarHBondContact O-CA 3.28Å; R67-Y127 HydrophobicContact CB-CD1 4.27Å; R67-Y127 HydrophobicContact CB-CE1 4.14Å; R67-Y127 HydrophobicContact CG-CE1 4.43Å; E123-Y127 WeakPolarHBondContact CA-O 3.41Å; D124-Y127 PolarHBondContact N-O 3.18Å; D124-Y127 PolarHBondContact OD1-N 3.18Å
128K98.3Very high97.8Very high59 Ų5930.2 Ų30.226%0.25715%0.151SC..EExtended strand (participates in β ladder)trans-112.7134.8164.1-91.6173.8164.3176.90108.8R65 V66 R68 L98 E123 F130R65-K128 WeakPolarHBondContact CA-O 3.48Å; V66-K128 PolarHBondContact N-O 3.41Å; V66-K128 PolarHBondContact O-N 2.87Å; R68-K128 HydrophobicContact CG-CB 4.32Å; R68-K128 HydrophobicContact CG-CD 4.22Å; R68-K128 HydrophobicContact CG-CG 3.87Å; L98-K128 HydrophobicContact CD1-CD 3.78Å; E123-K128 HydrophobicContact CB-CG 3.65Å; E123-K128 WeakPolarHBondContact OE2-CE 3.42Å; E123-K128 IonicContact OE2-NZ 3.97Å; K128-F130 HydrophobicContact CB-CE2 3.71Å; K128-F130 HydrophobicContact CB-CZ 4.04Å; K128-F130 HydrophobicContact CD-CZ 4.4Å
129F98.4Very high97.8Very high7 Ų732.6 Ų32.63%0.03116%0.162CC..EExtended strand (participates in β ladder)trans-108.2131.6-178.3-56.6-86.7000110.1C27 Y30 R31 R65 V121 G122C27-F129 HydrophobicContact CB-CE2 4.29Å; Y30-F129 VanDerWaalsContact CB-CE1 3.49Å; Y30-F129 HydrophobicContact CD2-CB 4.11Å; Y30-F129 HydrophobicContact CD2-CD1 4.08Å; Y30-F129 HydrophobicContact CD2-CD2 4.47Å; Y30-F129 AromaticContact CD2-CG 3.97Å; Y30-F129 HydrophobicContact CD2-CG 3.97Å; Y30-F129 HydrophobicContact CG-CD1 4.3Å; R31-F129 HydrophobicContact CG-CZ 4.09Å; R65-F129 HydrophobicContact CB-CD1 3.51Å; R65-F129 HydrophobicContact CB-CE1 3.51Å; R65-F129 HydrophobicContact CG-CE1 4.43Å; V121-F129 HydrophobicContact CG2-CB 3.73Å; V121-F129 WeakPolarHBondContact CG2-O 3.39Å; V121-F129 PolarHBondContact N-O 2.92Å; G122-F129 WeakPolarHBondContact O-CD2 3.45Å; G122-F129 PolarHBondContact O-N 2.69Å
130F98.7Very high97.7Very high11 Ų1139.2 Ų39.25%0.04819%0.191CC..EExtended strand (participates in β ladder)trans-127.8142.9178.2-59.9-82.5000110.4R63 V64 V66 L98 Q99 A102 Y119 W120 K128R63-F130 CarbonylContact C-O 3.53Å; R63-F130 WeakPolarHBondContact CA-O 3.41Å; V64-F130 PolarHBondContact N-O 2.9Å; V64-F130 PolarHBondContact O-N 2.88Å; V66-F130 HydrophobicContact CG2-CD2 4.43Å; L98-F130 HydrophobicContact CB-CE2 4.15Å; L98-F130 HydrophobicContact CB-CZ 4.31Å; Q99-F130 HydrophobicContact CB-CD1 4.05Å; Q99-F130 HydrophobicContact CB-CE1 3.63Å; Q99-F130 HydrophobicContact CB-CZ 3.9Å; Q99-F130 HydrophobicContact CG-CD1 3.84Å; Q99-F130 HydrophobicContact CG-CE1 3.88Å; A102-F130 HydrophobicContact CB-CB 3.93Å; A102-F130 HydrophobicContact CB-CD2 3.64Å; A102-F130 HydrophobicContact CB-CE2 4.47Å; A102-F130 HydrophobicContact CB-CG 4.02Å; Y119-F130 CarbonylContact O-C 3.55Å; Y119-F130 VanDerWaalsContact O-CA 3.27Å; Y119-F130 WeakPolarHBondContact O-CA 3.11Å; W120-F130 HydrophobicContact CB-CD1 4.18Å; W120-F130 HydrophobicContact CB-CE1 4.06Å; K128-F130 HydrophobicContact CB-CE2 3.71Å; K128-F130 HydrophobicContact CB-CZ 4.04Å; K128-F130 HydrophobicContact CD-CZ 4.4Å
131E98.8Very high97.6Very high0 Ų038.3 Ų38.30%020%0.195CC..EExtended strand (participates in β ladder)trans-98.2124.5164-82.1178.6167.800108.7T43 I61 Y62 R63 S118 Y119 V121T43-E131 WeakPolarHBondContact CB-OE1 3.37Å; T43-E131 WeakPolarHBondContact CB-OE2 3.45Å; T43-E131 PolarHBondContact N-OE1 3.41Å; T43-E131 PolarHBondContact N-OE2 3.35Å; T43-E131 PolarHBondContact OG1-OE1 3.13Å; T43-E131 PolarHBondContact OG1-OE2 3.36Å; I61-E131 HydrophobicContact CG2-CB 3.83Å; I61-E131 HydrophobicContact CG2-CG 3.86Å; Y62-E131 CarbonylContact O-C 3.55Å; Y62-E131 WeakPolarHBondContact O-CA 3.47Å; R63-E131 HydrophobicContact CG-CG 3.47Å; R63-E131 VanDerWaalsContact CG-CG 3.47Å; R63-E131 IonicContact CZ-OE1 3.48Å; R63-E131 IonicContact NE-OE1 2.66Å; R63-E131 PolarHBondContact NE-OE1 3.46Å; R63-E131 IonicContact NH2-OE1 3.34Å; R63-E131 PolarHBondContact NH2-OE1 2.8Å; S118-E131 CarbonylContact C-O 3.59Å; S118-E131 WeakPolarHBondContact CA-O 3.34Å; S118-E131 WeakPolarHBondContact CB-O 3.33Å; Y119-E131 HydrophobicContact CD1-CB 4.46Å; Y119-E131 HydrophobicContact CD2-CB 4.24Å; Y119-E131 HydrophobicContact CE1-CB 3.95Å; Y119-E131 HydrophobicContact CE2-CB 3.71Å; Y119-E131 HydrophobicContact CE2-CG 4.41Å; Y119-E131 WeakPolarHBondContact CE2-OE2 3.33Å; Y119-E131 PolarHBondContact N-O 2.89Å; Y119-E131 PolarHBondContact O-N 3.32Å; Y119-E131 PolarHBondContact OH-OE2 3.48Å; V121-E131 HydrophobicContact CG1-CB 3.93Å; V121-E131 HydrophobicContact CG1-CG 3.7Å; V121-E131 HydrophobicContact CG2-CG 4.33Å
132V98.8Very high97.6Very high0 Ų038.3 Ų38.30%019%0.194CC..EExtended strand (participates in β ladder)trans-104.2123.5177.7-173.50000108.2I61 Y62 V64 E103 A106 V115 L134I61-V132 WeakPolarHBondContact CA-O 3.45Å; Y62-V132 PolarHBondContact N-O 3.3Å; Y62-V132 PolarHBondContact O-N 3.08Å; V64-V132 HydrophobicContact CG2-CG2 4.16Å; E103-V132 HydrophobicContact CG-CG1 4.4Å; A106-V132 HydrophobicContact CB-CB 3.96Å; A106-V132 HydrophobicContact CB-CG1 3.9Å; A106-V132 HydrophobicContact CB-CG2 3.94Å; V115-V132 HydrophobicContact CG1-CG1 3.81Å; V115-V132 HydrophobicContact CG2-CG1 4.33Å; V132-L134 HydrophobicContact CG1-CG 4.33Å
133I98.6Very high97.5Very high0 Ų044 Ų440%022%0.215CC..EExtended strand (participates in β ladder)trans-85.7119.5175.4-55.7161.2000107.4A48 L51 Y53 Y59 L116 N117 Y119A48-I133 HydrophobicContact CB-CD1 4.48Å; L51-I133 HydrophobicContact CB-CD1 3.91Å; Y53-I133 HydrophobicContact CD2-CG2 4.2Å; Y59-I133 HydrophobicContact CD1-CG2 3.99Å; Y59-I133 HydrophobicContact CE1-CG2 4.32Å; L116-I133 HydrophobicContact CB-CB 4.34Å; L116-I133 HydrophobicContact CB-CG2 4.14Å; L116-I133 HydrophobicContact CD2-CG2 3.85Å; L116-I133 PolarHBondContact N-O 3.22Å; N117-I133 HydrophobicContact CB-CD1 4.47Å; N117-I133 PolarHBondContact O-N 2.83Å; Y119-I133 HydrophobicContact CD1-CD1 4.25Å; Y119-I133 HydrophobicContact CE1-CD1 3.95Å; Y119-I133 HydrophobicContact CE1-CG1 3.96Å
134L98.3Very high97.4Very high0 Ų049.8 Ų49.80%023%0.234CC..EExtended strand (participates in β ladder)trans-115.2148.1177.6-70.4145.5000109.3V60 Y62 A106 C110 L113 R114 V115 V132V60-L134 HydrophobicContact CG2-CB 3.62Å; V60-L134 HydrophobicContact CG2-CD1 4.38Å; V60-L134 PolarHBondContact N-O 3.49Å; V60-L134 PolarHBondContact O-N 3.36Å; V60-L134 VanDerWaalsContact O-O 3.12Å; Y62-L134 HydrophobicContact CD2-CD1 3.39Å; Y62-L134 HydrophobicContact CE2-CD1 4.15Å; Y62-L134 HydrophobicContact CG-CD1 3.9Å; A106-L134 HydrophobicContact CB-CD1 4.45Å; C110-L134 HydrophobicContact CB-CD1 4.29Å; C110-L134 HydrophobicContact CB-CD2 4.35Å; L113-L134 HydrophobicContact CB-CB 4.2Å; L113-L134 HydrophobicContact CB-CD2 3.95Å; L113-L134 HydrophobicContact CD1-CB 4Å; L113-L134 HydrophobicContact CD1-CD1 4.38Å; R114-L134 CarbonylContact O-C 3.57Å; R114-L134 VanDerWaalsContact O-CA 3.31Å; R114-L134 WeakPolarHBondContact O-CA 3.38Å; V115-L134 HydrophobicContact CB-CD2 4.41Å; V115-L134 HydrophobicContact CG2-CD2 3.63Å; V132-L134 HydrophobicContact CG1-CG 4.33Å
135I98Very high97.4Very high1 Ų150.5 Ų50.51%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-120.9135.7176.9-66.7179.1000108.5G58 Y59 R114 L116 P137 V142 I151G58-I135 CarbonylContact O-C 3.56Å; G58-I135 WeakPolarHBondContact O-CA 3.29Å; Y59-I135 HydrophobicContact CD1-CD1 4.45Å; Y59-I135 HydrophobicContact CD1-CG1 3.99Å; Y59-I135 HydrophobicContact CE1-CD1 3.74Å; Y59-I135 HydrophobicContact CE1-CG1 3.78Å; Y59-I135 HydrophobicContact CE2-CD1 4.36Å; Y59-I135 HydrophobicContact CE2-CG1 4.44Å; Y59-I135 HydrophobicContact CG-CG1 4.46Å; R114-I135 PolarHBondContact N-O 2.53Å; R114-I135 PolarHBondContact O-N 2.65Å; L116-I135 HydrophobicContact CB-CD1 4.08Å; L116-I135 HydrophobicContact CB-CG1 4.29Å; L116-I135 HydrophobicContact CD1-CD1 3.97Å; L116-I135 HydrophobicContact CD2-CD1 3.99Å; L116-I135 HydrophobicContact CG-CD1 4.22Å; I135-P137 WeakPolarHBondContact O-CD 3.41Å; I135-V142 HydrophobicContact CG2-CB 4.2Å; I135-V142 HydrophobicContact CG2-CG1 3.42Å; I135-V142 VanDerWaalsContact CG2-CG1 3.42Å; I135-V142 HydrophobicContact CG2-CG2 3.75Å; I135-I151 HydrophobicContact CB-CG2 4.36Å; I135-I151 HydrophobicContact CD1-CD1 4.14Å; I135-I151 HydrophobicContact CD1-CG2 4.09Å; I135-I151 HydrophobicContact CG2-CG2 3.95Å
136D97.9Very high97.4Very high43 Ų4350.6 Ų50.623%0.2324%0.237CC..  trans-80.8112168-179-3000110.1G58 L113 F138 H139 V142G58-D136 PolarHBondContact O-N 2.9Å; L113-D136 HydrophobicContact CD2-CB 3.69Å; D136-F138 VanDerWaalsContact C-N 3.26Å; D136-F138 PolarHBondContact O-N 3.25Å; D136-F138 PolarHBondContact OD1-N 3.06Å; D136-H139 HydrophobicContact CB-CB 4.06Å; D136-V142 WeakPolarHBondContact O-CG2 3.28Å
137P97.8Very high97.2Very high5 Ų553.3 Ų53.33%0.03225%0.249CC..SBendtrans-73.6-14.2-179.332.7-36.3000114A112 R114 I135 R143 T152A112-P137 WeakPolarHBondContact O-CD 3.37Å; A112-P137 WeakPolarHBondContact O-CG 3.4Å; R114-P137 HydrophobicContact CG-CB 4.14Å; R114-P137 HydrophobicContact CG-CG 4.03Å; I135-P137 WeakPolarHBondContact O-CD 3.41Å; P137-R143 WeakPolarHBondContact O-CD 3.41Å; P137-R143 WeakPolarHBondContact O-CG 3.23Å; P137-T152 HydrophobicContact CB-CG2 4.13Å
138F96.6Very high97Very high149 Ų14951 Ų5165%0.65424%0.241SC*.SBendtrans-91.6-18.5-179.9-63.2-75.7000112.4D136 K140D136-F138 VanDerWaalsContact C-N 3.26Å; D136-F138 PolarHBondContact O-N 3.25Å; D136-F138 PolarHBondContact OD1-N 3.06Å; F138-K140 PolarHBondContact O-N 3.42Å
139H97.8Very high96.9Very high52 Ų5252.5 Ų52.524%0.24125%0.249CC..  trans-66.7129.2180-158.8-77.9000112.9Q57 D136 A141 V142 R143Q57-H139 WeakPolarHBondContact CB-CE1 3.46Å; Q57-H139 PolarHBondContact OE1-CE1 3.35Å; D136-H139 HydrophobicContact CB-CB 4.06Å; H139-A141 VanDerWaalsContact C-N 3.3Å; H139-A141 WeakPolarHBondContact ND1-CB 3.36Å; H139-A141 PolarHBondContact ND1-N 2.73Å; H139-A141 PolarHBondContact O-N 2.99Å; H139-V142 HydrophobicContact CB-CG2 4.33Å; H139-V142 WeakPolarHBondContact O-CB 3.5Å; H139-V142 PolarHBondContact O-N 3.26Å; H139-R143 PolarHBondContact O-N 3.07Å; H139-R143 VanDerWaalsContact O-N 3.08Å
140K97Very high96.8Very high142 Ų14256.5 Ų56.562%0.61726%0.264SS*.Hα-helixtrans-55.9-40.8-177.9-67.3177.4-178.11740112.8F138 V142 R143 R144F138-K140 PolarHBondContact O-N 3.42Å; K140-V142 PolarHBondContact O-N 3.21Å; K140-R143 PolarHBondContact O-N 3.07Å; K140-R144 WeakPolarHBondContact O-CB 3.35Å; K140-R144 WeakPolarHBondContact O-CG 2.77Å; K140-R144 PolarHBondContact O-N 3.17Å
141A96.4Very high96.7Very high34 Ų3456 Ų5628%0.28126%0.262SS..Hα-helixtrans-63.3-18.5178.100000114.9K56 H139 N145K56-A141 PolarHBondContact NZ-O 3.33Å; H139-A141 VanDerWaalsContact C-N 3.3Å; H139-A141 WeakPolarHBondContact ND1-CB 3.36Å; H139-A141 PolarHBondContact ND1-N 2.73Å; H139-A141 PolarHBondContact O-N 2.99Å; A141-N145 WeakPolarHBondContact O-CB 2.99Å
142V97.1Very high96.7Very high0 Ų057.3 Ų57.30%027%0.269CS..Hα-helixtrans-92.2-46.9173.5175.70000109.8I135 D136 H139 K140 R144 N145 T148 T152I135-V142 HydrophobicContact CG2-CB 4.2Å; I135-V142 HydrophobicContact CG2-CG1 3.42Å; I135-V142 VanDerWaalsContact CG2-CG1 3.42Å; I135-V142 HydrophobicContact CG2-CG2 3.75Å; D136-V142 WeakPolarHBondContact O-CG2 3.28Å; H139-V142 HydrophobicContact CB-CG2 4.33Å; H139-V142 WeakPolarHBondContact O-CB 3.5Å; H139-V142 PolarHBondContact O-N 3.26Å; K140-V142 PolarHBondContact O-N 3.21Å; V142-R144 PolarHBondContact O-N 3.49Å; V142-N145 PolarHBondContact O-N 3.41Å; V142-T148 PolarHBondContact O-OG1 3.01Å; V142-T152 HydrophobicContact CG1-CG2 3.77Å
143R96.2Very high96.6Very high120 Ų12063.4 Ų63.445%0.45330%0.296SS..Hα-helixtrans-64.8-37.9-176.7-67.9-177.267.386.2-2113.7P137 H139 K140 N145 Q149 T152P137-R143 WeakPolarHBondContact O-CD 3.41Å; P137-R143 WeakPolarHBondContact O-CG 3.23Å; H139-R143 PolarHBondContact O-N 3.07Å; H139-R143 VanDerWaalsContact O-N 3.08Å; K140-R143 PolarHBondContact O-N 3.07Å; R143-N145 VanDerWaalsContact C-N 3.34Å; R143-Q149 VanDerWaalsContact O-CG 3.23Å; R143-Q149 WeakPolarHBondContact O-CG 3.32Å; R143-Q149 PolarHBondContact O-OE1 3.5Å; R143-T152 HydrophobicContact CG-CG2 4.28Å
144R95.8Very high96.5Very high196 Ų19666.8 Ų66.874%0.7432%0.324SS*.THydrogen-bonded Turntrans-82.3-10.9-179.8-65179.5-179.3173.5-4.2113.6K140 V142K140-R144 WeakPolarHBondContact O-CB 3.35Å; K140-R144 WeakPolarHBondContact O-CG 2.77Å; K140-R144 PolarHBondContact O-N 3.17Å; V142-R144 PolarHBondContact O-N 3.49Å
145N94.9Very high96.5Very high39 Ų3971.5 Ų71.521%0.20935%0.353CS..  trans-95.6115.5-176.1-179.6-60.3000110.2K56 A141 V142 R143 D147 T148 Q149K56-N145 VanDerWaalsContact NZ-CB 3.33Å; K56-N145 PolarHBondContact NZ-ND2 2.55Å; A141-N145 WeakPolarHBondContact O-CB 2.99Å; V142-N145 PolarHBondContact O-N 3.41Å; R143-N145 VanDerWaalsContact C-N 3.34Å; N145-D147 VanDerWaalsContact C-N 3.29Å; N145-D147 PolarHBondContact O-N 3.14Å; N145-D147 VanDerWaalsContact OD1-CB 3.31Å; N145-D147 WeakPolarHBondContact OD1-CB 3.38Å; N145-D147 PolarHBondContact OD1-N 3.18Å; N145-D147 VanDerWaalsContact OD1-N 3.08Å; N145-T148 WeakPolarHBondContact CB-OG1 3.44Å; N145-T148 PolarHBondContact O-N 3.33Å; N145-T148 VanDerWaalsContact O-N 3.1Å; N145-T148 PolarHBondContact O-OG1 3.35Å; N145-T148 PolarHBondContact OD1-N 3.02Å; N145-Q149 VanDerWaalsContact O-CB 3.28Å; N145-Q149 WeakPolarHBondContact O-CB 3.47Å; N145-Q149 PolarHBondContact O-N 3.15Å
146P95.1Very high96.5Very high103 Ų10373.5 Ų73.567%0.66936%0.362SS*.Hα-helixtrans-61.3-35-172.722.8-33000113T148P146-T148 PolarHBondContact O-N 3.13Å
147D93.3Very high96.5Very high103 Ų10377 Ų7755%0.55138%0.375SS*.Hα-helixtrans-63-29.1179.3-52.3-21.2000113.2K54 N145 W150K54-D147 IonicContact NZ-OD2 3.18Å; K54-D147 PolarHBondContact NZ-OD2 3.31Å; N145-D147 VanDerWaalsContact C-N 3.29Å; N145-D147 PolarHBondContact O-N 3.14Å; N145-D147 VanDerWaalsContact OD1-CB 3.31Å; N145-D147 WeakPolarHBondContact OD1-CB 3.38Å; N145-D147 PolarHBondContact OD1-N 3.18Å; N145-D147 VanDerWaalsContact OD1-N 3.08Å; D147-W150 PolarHBondContact O-NE1 3.09Å; D147-W150 VanDerWaalsContact O-NE1 3.13Å
148T93.7Very high96.5Very high6 Ų679.7 Ų79.74%0.03739%0.387CS..Hα-helixtrans-112.4-22.1-171.857.50000113.2K56 Y59 V142 N145 P146 W150 I151K56-T148 PolarHBondContact NZ-OG1 3.3Å; Y59-T148 HydrophobicContact CE2-CG2 4.32Å; Y59-T148 WeakPolarHBondContact OH-CG2 3.43Å; V142-T148 PolarHBondContact O-OG1 3.01Å; N145-T148 WeakPolarHBondContact CB-OG1 3.44Å; N145-T148 PolarHBondContact O-N 3.33Å; N145-T148 VanDerWaalsContact O-N 3.1Å; N145-T148 PolarHBondContact O-OG1 3.35Å; N145-T148 PolarHBondContact OD1-N 3.02Å; P146-T148 PolarHBondContact O-N 3.13Å; T148-W150 PolarHBondContact O-N 2.9Å; T148-W150 VanDerWaalsContact O-N 3.1Å; T148-I151 VanDerWaalsContact O-CG2 3.29Å; T148-I151 WeakPolarHBondContact O-CG2 3.33Å; T148-I151 PolarHBondContact O-N 3.35Å; T148-I151 VanDerWaalsContact O-N 3.16Å
149Q95.6Very high96.5Very high92 Ų9274 Ų7443%0.4336%0.361SS..Hα-helixtrans-57.5-29.8-174-177.5-178.38.600112.7R143 N145 I151 T152R143-Q149 VanDerWaalsContact O-CG 3.23Å; R143-Q149 WeakPolarHBondContact O-CG 3.32Å; R143-Q149 PolarHBondContact O-OE1 3.5Å; N145-Q149 VanDerWaalsContact O-CB 3.28Å; N145-Q149 WeakPolarHBondContact O-CB 3.47Å; N145-Q149 PolarHBondContact O-N 3.15Å; Q149-I151 PolarHBondContact O-N 3.35Å; Q149-I151 VanDerWaalsContact O-N 3.13Å; Q149-T152 WeakPolarHBondContact O-CB 3.45Å; Q149-T152 WeakPolarHBondContact O-CG2 3.39Å; Q149-T152 PolarHBondContact O-N 2.92Å; Q149-T152 PolarHBondContact O-OG1 2.65Å
150W97.3Very high96.5Very high91 Ų9171.7 Ų71.735%0.34535%0.35SS..G310 helixtrans-51-40.1178.168.1-91.7000112.3L116 D147 T148 T152 K153 H156L116-W150 HydrophobicContact CD1-CH2 4.39Å; L116-W150 HydrophobicContact CD1-CZ2 3.97Å; D147-W150 PolarHBondContact O-NE1 3.09Å; D147-W150 VanDerWaalsContact O-NE1 3.13Å; T148-W150 PolarHBondContact O-N 2.9Å; T148-W150 VanDerWaalsContact O-N 3.1Å; W150-T152 PolarHBondContact O-N 2.96Å; W150-T152 VanDerWaalsContact O-N 3.13Å; W150-K153 WeakPolarHBondContact O-CG 3.4Å; W150-K153 PolarHBondContact O-N 3.11Å; W150-H156 AromaticContact CE3-CD2 3.9Å; W150-H156 AromaticContact CE3-CE1 3.72Å; W150-H156 AromaticContact CE3-NE2 3.64Å; W150-H156 AromaticContact CZ3-CE1 3.86Å; W150-H156 AromaticContact CZ3-ND1 3.83Å; W150-H156 PolarHBondContact O-CD2 3.38Å
151I96.9Very high96.6Very high0 Ų068.4 Ų68.40%034%0.338CS..G310 helixtrans-68.2-15.6-176.7-154174.4000113.3R114 L116 I135 T148 Q149 K153 H156R114-I151 HydrophobicContact CB-CD1 3.88Å; R114-I151 HydrophobicContact CB-CG1 3.98Å; L116-I151 HydrophobicContact CB-CD1 4.29Å; L116-I151 HydrophobicContact CD1-CD1 3.96Å; I135-I151 HydrophobicContact CB-CG2 4.36Å; I135-I151 HydrophobicContact CD1-CD1 4.14Å; I135-I151 HydrophobicContact CD1-CG2 4.09Å; I135-I151 HydrophobicContact CG2-CG2 3.95Å; T148-I151 VanDerWaalsContact O-CG2 3.29Å; T148-I151 WeakPolarHBondContact O-CG2 3.33Å; T148-I151 PolarHBondContact O-N 3.35Å; T148-I151 VanDerWaalsContact O-N 3.16Å; Q149-I151 PolarHBondContact O-N 3.35Å; Q149-I151 VanDerWaalsContact O-N 3.13Å; I151-K153 VanDerWaalsContact C-N 3.35Å; I151-H156 HydrophobicContact CG1-CB 4.48Å; I151-H156 WeakPolarHBondContact O-CB 3.38Å
152T97.1Very high96.6Very high27 Ų2772.2 Ų72.217%0.16635%0.345CS..G310 helixtrans-79.6-17-179.772.40000112.9P137 V142 R143 Q149 W150P137-T152 HydrophobicContact CB-CG2 4.13Å; V142-T152 HydrophobicContact CG1-CG2 3.77Å; R143-T152 HydrophobicContact CG-CG2 4.28Å; Q149-T152 WeakPolarHBondContact O-CB 3.45Å; Q149-T152 WeakPolarHBondContact O-CG2 3.39Å; Q149-T152 PolarHBondContact O-N 2.92Å; Q149-T152 PolarHBondContact O-OG1 2.65Å; W150-T152 PolarHBondContact O-N 2.96Å; W150-T152 VanDerWaalsContact O-N 3.13Å
153K97.4Very high96.5Very high129 Ų12972.8 Ų72.856%0.56135%0.351SS*.SBendtrans-65.1147.9179.5-56.2178.3176.7-175.20111W150 I151 V155 H156W150-K153 WeakPolarHBondContact O-CG 3.4Å; W150-K153 PolarHBondContact O-N 3.11Å; I151-K153 VanDerWaalsContact C-N 3.35Å; K153-V155 HydrophobicContact CB-CG2 4.17Å; K153-V155 PolarHBondContact O-N 2.8Å; K153-V155 VanDerWaalsContact O-N 3.16Å; K153-H156 WeakPolarHBondContact O-CB 3.39Å; K153-H156 PolarHBondContact O-N 3.11Å
154A96.9Very high96.6Very high71 Ų7169.3 Ų69.359%0.58734%0.341SS*.G310 helixtrans-58.4-32.2-176.400000113.9H156 K157A154-H156 PolarHBondContact O-N 2.83Å; A154-K157 WeakPolarHBondContact O-CB 3.31Å; A154-K157 WeakPolarHBondContact O-CG 3.39Å; A154-K157 PolarHBondContact O-N 3.46Å; A154-K157 VanDerWaalsContact O-N 3.09Å
155V97.6Very high96.7Very high99 Ų9960 Ų6060%0.631%0.306SS*.G310 helixtrans-62.1-15176.4-59.90000113.6K153 R162K153-V155 HydrophobicContact CB-CG2 4.17Å; K153-V155 PolarHBondContact O-N 2.8Å; K153-V155 VanDerWaalsContact O-N 3.16Å; V155-R162 PolarHBondContact O-NH1 3.37Å; V155-R162 VanDerWaalsContact O-NH1 3.09Å; V155-R162 PolarHBondContact O-NH2 3.42Å
156H97.7Very high96.8Very high42 Ų4260.5 Ų60.519%0.19431%0.313CS..G310 helixtrans-99.510.9179.1-65.5-57.3000113.9R114 W150 I151 K153 A154 R159R114-H156 WeakPolarHBondContact CD-O 3.27Å; W150-H156 AromaticContact CE3-CD2 3.9Å; W150-H156 AromaticContact CE3-CE1 3.72Å; W150-H156 AromaticContact CE3-NE2 3.64Å; W150-H156 AromaticContact CZ3-CE1 3.86Å; W150-H156 AromaticContact CZ3-ND1 3.83Å; W150-H156 PolarHBondContact O-CD2 3.38Å; I151-H156 HydrophobicContact CG1-CB 4.48Å; I151-H156 WeakPolarHBondContact O-CB 3.38Å; K153-H156 WeakPolarHBondContact O-CB 3.39Å; K153-H156 PolarHBondContact O-N 3.11Å; A154-H156 PolarHBondContact O-N 2.83Å; H156-R159 HydrophobicContact CB-CG 4.27Å; H156-R159 VanDerWaalsContact O-CG 3.29Å; H156-R159 WeakPolarHBondContact O-CG 3.47Å
157K97.8Very high96.9Very high116 Ų11655.6 Ų55.650%0.50428%0.281SS..THydrogen-bonded Turntrans-60.4134.4167.9-69.2-176.9-179.8-174.40111.4A154 R159 R162A154-K157 WeakPolarHBondContact O-CB 3.31Å; A154-K157 WeakPolarHBondContact O-CG 3.39Å; A154-K157 PolarHBondContact O-N 3.46Å; A154-K157 VanDerWaalsContact O-N 3.09Å; K157-R159 PolarHBondContact O-N 3.28Å; K157-R162 VanDerWaalsContact O-CZ 3.24Å; K157-R162 PolarHBondContact O-NE 3.38Å; K157-R162 PolarHBondContact O-NH2 2.97Å
158H97.8Very high97Very high63 Ų6350.7 Ų50.729%0.29226%0.255SS..THydrogen-bonded Turntrans4355.6175.2-62.6-60.4000115.5E160 M161 R162H158-E160 VanDerWaalsContact C-N 3.29Å; H158-E160 VanDerWaalsContact C-OE2 3.26Å; H158-E160 WeakPolarHBondContact CA-OE1 3.23Å; H158-E160 WeakPolarHBondContact CA-OE2 3.49Å; H158-E160 IonicContact CG-OE1 3.44Å; H158-E160 IonicContact ND1-OE1 2.91Å; H158-E160 PolarHBondContact ND1-OE1 3.05Å; H158-E160 PolarHBondContact O-N 3.23Å; H158-M161 HydrophobicContact CB-CB 4.32Å; H158-M161 HydrophobicContact CB-CE 4.48Å; H158-M161 HydrophobicContact CB-CG 4.17Å; H158-M161 HydrophobicContact CB-SD 4.23Å; H158-M161 WeakPolarHBondContact ND1-CE 3.41Å; H158-M161 PolarHBondContact O-N 2.76Å; H158-R162 PolarHBondContact O-N 2.9Å; H158-R162 PolarHBondContact O-NE 3.16Å
159R98.1Very high97.1Very high29 Ų2955.4 Ų55.411%0.10928%0.275CS..THydrogen-bonded Turntrans-67.1-32.2179.8-71.8170.972.7-130.44.9112.3H156 K157 R162 G163 L164H156-R159 HydrophobicContact CB-CG 4.27Å; H156-R159 VanDerWaalsContact O-CG 3.29Å; H156-R159 WeakPolarHBondContact O-CG 3.47Å; K157-R159 PolarHBondContact O-N 3.28Å; R159-R162 PolarHBondContact O-N 2.84Å; R159-G163 PolarHBondContact O-N 3.46Å; R159-L164 HydrophobicContact CB-CB 4Å; R159-L164 HydrophobicContact CG-CB 4.38Å; R159-L164 HydrophobicContact CG-CD1 4.39Å; R159-L164 PolarHBondContact O-N 3.34Å
160E97.8Very high97Very high3 Ų359 Ų591%0.01429%0.289CS..THydrogen-bonded Turntrans-59.6-44.7175.169.2-66.316300111.4E103 E104 V115 H158 R162 G163 T165E103-E160 HydrophobicContact CB-CB 3.98Å; E104-E160 HydrophobicContact CG-CB 4.42Å; E104-E160 HydrophobicContact CG-CG 4.26Å; V115-E160 HydrophobicContact CB-CB 4.22Å; V115-E160 HydrophobicContact CB-CG 4.49Å; V115-E160 HydrophobicContact CG1-CB 4.38Å; V115-E160 HydrophobicContact CG2-CB 4.16Å; V115-E160 HydrophobicContact CG2-CG 3.96Å; H158-E160 VanDerWaalsContact C-N 3.29Å; H158-E160 VanDerWaalsContact C-OE2 3.26Å; H158-E160 WeakPolarHBondContact CA-OE1 3.23Å; H158-E160 WeakPolarHBondContact CA-OE2 3.49Å; H158-E160 IonicContact CG-OE1 3.44Å; H158-E160 IonicContact ND1-OE1 2.91Å; H158-E160 PolarHBondContact ND1-OE1 3.05Å; H158-E160 PolarHBondContact O-N 3.23Å; E160-R162 VanDerWaalsContact C-N 3.28Å; E160-R162 PolarHBondContact O-N 2.98Å; E160-G163 PolarHBondContact O-N 2.8Å; E160-T165 HydrophobicContact CB-CG2 4.03Å
161M97.3Very high96.8Very high73 Ų7356.7 Ų56.736%0.3629%0.287SS..THydrogen-bonded Turntrans-72.3-23.5-179.4-56.2-168.8-163.700112.9E104 R108 H158E104-M161 HydrophobicContact CG-CG 4.48Å; R108-M161 HydrophobicContact CB-CE 4.45Å; R108-M161 HydrophobicContact CG-CE 3.45Å; R108-M161 VanDerWaalsContact CG-CE 3.45Å; H158-M161 HydrophobicContact CB-CB 4.32Å; H158-M161 HydrophobicContact CB-CE 4.48Å; H158-M161 HydrophobicContact CB-CG 4.17Å; H158-M161 HydrophobicContact CB-SD 4.23Å; H158-M161 WeakPolarHBondContact ND1-CE 3.41Å; H158-M161 PolarHBondContact O-N 2.76Å
162R96.8Very high96.8Very high115 Ų11560.3 Ų60.343%0.43430%0.3SS..THydrogen-bonded Turntrans-92.92.3176.7-63.6179.9-66.8147.51.5113.2V155 K157 H158 R159 E160 L164V155-R162 PolarHBondContact O-NH1 3.37Å; V155-R162 VanDerWaalsContact O-NH1 3.09Å; V155-R162 PolarHBondContact O-NH2 3.42Å; K157-R162 VanDerWaalsContact O-CZ 3.24Å; K157-R162 PolarHBondContact O-NE 3.38Å; K157-R162 PolarHBondContact O-NH2 2.97Å; H158-R162 PolarHBondContact O-N 2.9Å; H158-R162 PolarHBondContact O-NE 3.16Å; R159-R162 PolarHBondContact O-N 2.84Å; E160-R162 VanDerWaalsContact C-N 3.28Å; E160-R162 PolarHBondContact O-N 2.98Å; R162-L164 VanDerWaalsContact C-N 3.33Å; R162-L164 HydrophobicContact CB-CD1 4.1Å; R162-L164 HydrophobicContact CB-CG 4.05Å; R162-L164 PolarHBondContact O-N 3.13Å
163G96.4Very high96.6Very high12 Ų1260.2 Ų60.212%0.12431%0.305CS..THydrogen-bonded Turntrans63.536.4-178.400000113.6R159 E160 G168 K169 R172R159-G163 PolarHBondContact O-N 3.46Å; E160-G163 PolarHBondContact O-N 2.8Å; G163-G168 CarbonylContact O-C 3.46Å; G163-K169 PolarHBondContact O-N 3.45Å; G163-R172 WeakPolarHBondContact O-CD 3.44Å
164L97.5Very high96.5Very high46 Ų4657.1 Ų57.124%0.24130%0.295CS..  trans-99.5-7.3179.5-63.6176.3000113.5R159 R162 K169R159-L164 HydrophobicContact CB-CB 4Å; R159-L164 HydrophobicContact CG-CB 4.38Å; R159-L164 HydrophobicContact CG-CD1 4.39Å; R159-L164 PolarHBondContact O-N 3.34Å; R162-L164 VanDerWaalsContact C-N 3.33Å; R162-L164 HydrophobicContact CB-CD1 4.1Å; R162-L164 HydrophobicContact CB-CG 4.05Å; R162-L164 PolarHBondContact O-N 3.13Å; L164-K169 WeakPolarHBondContact O-CE 3.1Å
165T97.8Very high96.4Very high1 Ų155.8 Ų55.81%0.00629%0.287CS..SBendtrans-71.5167.6169.758.20000111.2E103 V115 E160 A167 G168 K169E103-T165 WeakPolarHBondContact OE2-CB 3.17Å; E103-T165 WeakPolarHBondContact OE2-CG2 3.25Å; E103-T165 PolarHBondContact OE2-OG1 3.42Å; V115-T165 HydrophobicContact CG1-CG2 3.97Å; E160-T165 HydrophobicContact CB-CG2 4.03Å; T165-A167 VanDerWaalsContact C-N 3.29Å; T165-A167 PolarHBondContact O-N 3.04Å; T165-G168 PolarHBondContact O-N 3.31Å; T165-G168 PolarHBondContact OG1-N 3.42Å; T165-G168 VanDerWaalsContact OG1-N 3.16Å; T165-K169 WeakPolarHBondContact O-CB 3.39Å; T165-K169 VanDerWaalsContact O-CG 3.31Å; T165-K169 WeakPolarHBondContact O-CG 3.5Å; T165-K169 PolarHBondContact O-N 3.43Å
166S96.3Very high96.3Very high49 Ų4960.6 Ų60.634%0.34330%0.3SS..Hα-helixtrans-60.3-40.2178.2780000111.9N117 K170N117-S166 PolarHBondContact OD1-OG 3.49Å; S166-K170 WeakPolarHBondContact O-CG 3.44Å
167A97Very high96.1Very high1 Ų161.4 Ų61.41%0.00832%0.319CS..Hα-helixtrans-71.4-40.8178.400000112.3Q99 T165 K170Q99-A167 HydrophobicContact CB-CB 4.1Å; Q99-A167 HydrophobicContact CG-CB 3.76Å; T165-A167 VanDerWaalsContact C-N 3.29Å; T165-A167 PolarHBondContact O-N 3.04Å; A167-K170 PolarHBondContact O-N 3.09Å
168G95.4Very high96Very high0 Ų063.2 Ų63.20%033%0.33CS..Hα-helixtrans-69.3-37.3178.500000113.5G163 T165 K170 S171G163-G168 CarbonylContact O-C 3.46Å; T165-G168 PolarHBondContact O-N 3.31Å; T165-G168 PolarHBondContact OG1-N 3.42Å; T165-G168 VanDerWaalsContact OG1-N 3.16Å; G168-K170 VanDerWaalsContact C-N 3.28Å; G168-K170 PolarHBondContact O-N 2.89Å; G168-S171 PolarHBondContact O-N 2.97Å; G168-S171 PolarHBondContact O-OG 3.22Å
169K96Very high95.9Very high104 Ų10468 Ų6845%0.45235%0.35SS..Hα-helixtrans-61.4-35.5176.7-78-179.6176.7-173.90112.5G163 L164 T165 S171 R172G163-K169 PolarHBondContact O-N 3.45Å; L164-K169 WeakPolarHBondContact O-CE 3.1Å; T165-K169 WeakPolarHBondContact O-CB 3.39Å; T165-K169 VanDerWaalsContact O-CG 3.31Å; T165-K169 WeakPolarHBondContact O-CG 3.5Å; T165-K169 PolarHBondContact O-N 3.43Å; K169-S171 PolarHBondContact O-N 2.91Å; K169-R172 WeakPolarHBondContact O-CB 3.34Å; K169-R172 PolarHBondContact O-N 2.93Å; K169-R172 VanDerWaalsContact O-N 3.13Å
170K94.6Very high95.9Very high167 Ų16770.2 Ų70.273%0.72636%0.36SS*.Hα-helixtrans-61.2-40179.8-73.9-179.9178.2-172.20113.1S166 A167 G168 R172S166-K170 WeakPolarHBondContact O-CG 3.44Å; A167-K170 PolarHBondContact O-N 3.09Å; G168-K170 VanDerWaalsContact C-N 3.28Å; G168-K170 PolarHBondContact O-N 2.89Å; K170-R172 PolarHBondContact O-N 3.41Å
171S93.6Very high95.8Very high43 Ų4374.2 Ų74.230%0.30138%0.379SS..Hα-helixtrans-72.3-15.4177.946.10000113.9A95 G168 K169 G173A95-S171 WeakPolarHBondContact O-CB 3.32Å; G168-S171 PolarHBondContact O-N 2.97Å; G168-S171 PolarHBondContact O-OG 3.22Å; K169-S171 PolarHBondContact O-N 2.91Å; S171-G173 VanDerWaalsContact C-N 3.28Å; S171-G173 PolarHBondContact O-N 3.34Å
172R95.3Very high95.7Very high76 Ų7675 Ų7529%0.28738%0.383SS..THydrogen-bonded Turntrans-78.3-12.6-179.3-68.8176.257.8174.6-3113.4G163 K169 K170 L174 G186G163-R172 WeakPolarHBondContact O-CD 3.44Å; K169-R172 WeakPolarHBondContact O-CB 3.34Å; K169-R172 PolarHBondContact O-N 2.93Å; K169-R172 VanDerWaalsContact O-N 3.13Å; K170-R172 PolarHBondContact O-N 3.41Å; R172-L174 VanDerWaalsContact C-N 3.3Å; R172-L174 HydrophobicContact CB-CD1 4.19Å; R172-L174 HydrophobicContact CB-CD2 4.4Å; R172-L174 HydrophobicContact CB-CG 3.82Å; R172-L174 PolarHBondContact O-N 3.27Å; R172-G186 PolarHBondContact NH2-O 3.08Å
173G93.3Very high95.7Very high26 Ų2669.9 Ų69.927%0.26837%0.365SS..THydrogen-bonded Turntrans62.835.7-177.800000113S171 F180 T183S171-G173 VanDerWaalsContact C-N 3.28Å; S171-G173 PolarHBondContact O-N 3.34Å; G173-F180 WeakPolarHBondContact O-CD1 3.45Å; G173-T183 WeakPolarHBondContact O-CG2 3.4Å; G173-T183 PolarHBondContact O-OG1 3.43Å
174L95Very high95.7Very high64 Ų6473.5 Ų73.534%0.33538%0.381SS..  trans-79.5142.8176-58.2174.9000110.1R172 T183 G186R172-L174 VanDerWaalsContact C-N 3.3Å; R172-L174 HydrophobicContact CB-CD1 4.19Å; R172-L174 HydrophobicContact CB-CD2 4.4Å; R172-L174 HydrophobicContact CB-CG 3.82Å; R172-L174 PolarHBondContact O-N 3.27Å; L174-T183 HydrophobicContact CD2-CG2 4.36Å; L174-G186 WeakPolarHBondContact CD2-O 3.28Å
175G94.9Very high95.5Very high42 Ų4274.3 Ų74.343%0.43340%0.4SS..  trans177.4-169.2175.500000111.9F180G175-F180 VanDerWaalsContact CA-CD1 3.45Å; G175-F180 VanDerWaalsContact CA-CG 3.46Å
176K95.2Very high95.4Very high201 Ų20176.2 Ų76.287%0.87442%0.42SS*.SBendtrans-122.5146.5179.7-65.5-173.2176.7-173.10110.3F180K176-F180 WeakPolarHBondContact O-CD2 3.49Å; K176-F180 WeakPolarHBondContact O-CE2 3.48Å
177G94.8Very high95.4Very high58 Ų5875.8 Ų75.860%0.59842%0.417SS*.SBendtrans97.5177.2179.100000114.4K179 F180G177-K179 PolarHBondContact O-N 3.18Å; G177-K179 VanDerWaalsContact O-N 3.12Å; G177-F180 PolarHBondContact O-N 3.12Å
178H95.1Very high95.4Very high155 Ų15582.9 Ų82.972%0.71844%0.444SS*.G310 helixtrans-55.5-33-171.765.2-91.4000113.7F180 H181H178-F180 PolarHBondContact O-N 2.7Å; H178-F180 VanDerWaalsContact O-N 3.15Å; H178-H181 PolarHBondContact O-N 3.31Å; H178-H181 PolarHBondContact O-ND1 3.36Å
179K96.8Very high95.4Very high164 Ų16493 Ų9371%0.71348%0.482SS*.G310 helixtrans-65.4-15.6178.3-59.5-171.9177.8177.60114G177G177-K179 PolarHBondContact O-N 3.18Å; G177-K179 VanDerWaalsContact O-N 3.12Å
180F96.6Very high95.5Very high74 Ų7489.9 Ų89.933%0.32548%0.476SS..G310 helixtrans-112.417.4-175.6-58.8-85.2000113.8G173 G175 K176 G177 H178 L182 T183G173-F180 WeakPolarHBondContact O-CD1 3.45Å; G175-F180 VanDerWaalsContact CA-CD1 3.45Å; G175-F180 VanDerWaalsContact CA-CG 3.46Å; K176-F180 WeakPolarHBondContact O-CD2 3.49Å; K176-F180 WeakPolarHBondContact O-CE2 3.48Å; G177-F180 PolarHBondContact O-N 3.12Å; H178-F180 PolarHBondContact O-N 2.7Å; H178-F180 VanDerWaalsContact O-N 3.15Å; F180-L182 PolarHBondContact O-N 3.4Å; F180-T183 PolarHBondContact O-N 3.26Å; F180-T183 PolarHBondContact O-OG1 3.28Å; F180-T183 VanDerWaalsContact O-OG1 3.08Å
181H95.7Very high95.6Very high88 Ų8882 Ų8241%0.40744%0.442SS..G310 helixtrans-56.4-25.5-177.968-86.2000113.9H178 T183 I184 R195H178-H181 PolarHBondContact O-N 3.31Å; H178-H181 PolarHBondContact O-ND1 3.36Å; H181-T183 PolarHBondContact O-N 2.91Å; H181-I184 HydrophobicContact CB-CD1 4.13Å; H181-R195 PolarHBondContact O-NH2 3.05Å
182L96.3Very high95.8Very high88 Ų8887.7 Ų87.746%0.46146%0.457SS..G310 helixtrans-69.1-9.3176.1-63.9179.1000114F180 R188 A191F180-L182 PolarHBondContact O-N 3.4Å; L182-R188 VanDerWaalsContact O-CA 3.32Å; L182-R188 WeakPolarHBondContact O-CA 3.35Å; L182-A191 WeakPolarHBondContact O-CB 3.49Å
183T97.1Very high95.9Very high9 Ų990.9 Ų90.96%0.05547%0.472CS..G310 helixtrans-12513.7-176.961.10000114.2G173 L174 F180 H181 G185 G186 R188G173-T183 WeakPolarHBondContact O-CG2 3.4Å; G173-T183 PolarHBondContact O-OG1 3.43Å; L174-T183 HydrophobicContact CD2-CG2 4.36Å; F180-T183 PolarHBondContact O-N 3.26Å; F180-T183 PolarHBondContact O-OG1 3.28Å; F180-T183 VanDerWaalsContact O-OG1 3.08Å; H181-T183 PolarHBondContact O-N 2.91Å; T183-G185 PolarHBondContact O-N 3.08Å; T183-G186 PolarHBondContact O-N 2.95Å; T183-R188 HydrophobicContact CG2-CG 3.69Å
184I96.1Very high96.1Very high88 Ų8895.9 Ų95.945%0.45148%0.483SS..THydrogen-bonded Turntrans-58.7121.8173.8-63.9169.9000109.1H181 A191H181-I184 HydrophobicContact CB-CD1 4.13Å; I184-A191 WeakPolarHBondContact O-CA 3.37Å; I184-A191 VanDerWaalsContact O-CB 3.31Å; I184-A191 WeakPolarHBondContact O-CB 3.31Å
185G93.5Very high96.1Very high63 Ų6398.7 Ų98.765%0.64949%0.489SS*.THydrogen-bonded Turntrans96.39.6-170.700000114.5T183T183-G185 PolarHBondContact O-N 3.08Å
186G94.5Very high96.2Very high41 Ų41101.3 Ų101.342%0.42349%0.493SS..SBendtrans99.1-15.4165.200000116.5R172 L174 T183R172-G186 PolarHBondContact NH2-O 3.08Å; L174-G186 WeakPolarHBondContact CD2-O 3.28Å; T183-G186 PolarHBondContact O-N 2.95Å
187S96.7Very high96.3Very high40 Ų4094.7 Ų94.728%0.2847%0.47SS..SBendtrans-156.1161.2172730000111.9R189 A190 A191S187-R189 VanDerWaalsContact C-N 3.32Å; S187-R189 PolarHBondContact O-N 3.12Å; S187-A190 PolarHBondContact O-N 3.22Å; S187-A190 VanDerWaalsContact OG-CB 3.28Å; S187-A190 WeakPolarHBondContact OG-CB 3.42Å; S187-A190 PolarHBondContact OG-N 3Å; S187-A190 VanDerWaalsContact OG-N 3.09Å; S187-A191 WeakPolarHBondContact O-CB 3.37Å; S187-A191 PolarHBondContact O-N 3.34Å
188R96.4Very high96.4Very high149 Ų14998.6 Ų98.656%0.56248%0.477SS*.Hα-helixtrans-59.7-41.1176-65.5-174.8-179.9-179.4-3.4112.7L182 T183 A191 W192L182-R188 VanDerWaalsContact O-CA 3.32Å; L182-R188 WeakPolarHBondContact O-CA 3.35Å; T183-R188 HydrophobicContact CG2-CG 3.69Å; R188-A191 PolarHBondContact O-N 3.24Å; R188-W192 WeakPolarHBondContact O-CB 3.43Å; R188-W192 PolarHBondContact O-N 2.78Å
189R96.8Very high96.4Very high213 Ų21397 Ų9780%0.80447%0.469SS*.Hα-helixtrans-67.3-40.6178.1-172.9173.9-175.5172.2-0.8112S187 W192 K193S187-R189 VanDerWaalsContact C-N 3.32Å; S187-R189 PolarHBondContact O-N 3.12Å; R189-W192 PolarHBondContact O-N 3.37Å; R189-K193 WeakPolarHBondContact O-CB 3.46Å; R189-K193 PolarHBondContact O-N 3.07Å
190A96.9Very high96.4Very high39 Ų3994.3 Ų94.332%0.32246%0.462SS..Hα-helixtrans-63.7-44.5175.200000111.5S187 W192 K193 R194S187-A190 PolarHBondContact O-N 3.22Å; S187-A190 VanDerWaalsContact OG-CB 3.28Å; S187-A190 WeakPolarHBondContact OG-CB 3.42Å; S187-A190 PolarHBondContact OG-N 3Å; S187-A190 VanDerWaalsContact OG-N 3.09Å; A190-W192 PolarHBondContact O-N 3.09Å; A190-K193 PolarHBondContact O-N 3.23Å; A190-R194 WeakPolarHBondContact O-CB 3.1Å; A190-R194 PolarHBondContact O-N 3.36Å
191A97.4Very high96.3Very high1 Ų197.1 Ų97.11%0.00848%0.476CS..Hα-helixtrans-61-44.417600000112L182 I184 S187 R188 R195L182-A191 WeakPolarHBondContact O-CB 3.49Å; I184-A191 WeakPolarHBondContact O-CA 3.37Å; I184-A191 VanDerWaalsContact O-CB 3.31Å; I184-A191 WeakPolarHBondContact O-CB 3.31Å; S187-A191 WeakPolarHBondContact O-CB 3.37Å; S187-A191 PolarHBondContact O-N 3.34Å; R188-A191 PolarHBondContact O-N 3.24Å; A191-R195 WeakPolarHBondContact O-CG 3.49Å; A191-R195 PolarHBondContact O-N 2.74Å
192W97.6Very high96.1Very high163 Ų163103.4 Ų103.462%0.61750%0.496SS*.Hα-helixtrans-63.3-49.4176.7-177.787.6000111.6R188 R189 A190 R194 R195 N196R188-W192 WeakPolarHBondContact O-CB 3.43Å; R188-W192 PolarHBondContact O-N 2.78Å; R189-W192 PolarHBondContact O-N 3.37Å; A190-W192 PolarHBondContact O-N 3.09Å; W192-R194 PolarHBondContact O-N 3.33Å; W192-R195 PolarHBondContact O-N 3.01Å; W192-R195 VanDerWaalsContact O-N 3.12Å; W192-N196 HydrophobicContact CZ2-CB 4.36Å; W192-N196 PolarHBondContact NE1-ND2 2.87Å; W192-N196 PolarHBondContact O-N 3.05Å; W192-N196 VanDerWaalsContact O-N 3.07Å; W192-N196 PolarHBondContact O-ND2 3.41Å
193K97.6Very high95.9Very high142 Ų142107.8 Ų107.862%0.61751%0.508SS*.Hα-helixtrans-56.5-49.7179.3-173.4176.2-179.1-179.10110.9R189 A190 R195 N196 T197R189-K193 WeakPolarHBondContact O-CB 3.46Å; R189-K193 PolarHBondContact O-N 3.07Å; A190-K193 PolarHBondContact O-N 3.23Å; K193-R195 VanDerWaalsContact C-N 3.26Å; K193-R195 PolarHBondContact O-N 3.06Å; K193-N196 CarbonylContact O-C 3.54Å; K193-N196 PolarHBondContact O-N 2.97Å; K193-N196 VanDerWaalsContact O-N 3.09Å; K193-T197 PolarHBondContact O-N 3.15Å; K193-T197 PolarHBondContact O-OG1 2.97Å
194R96.5Very high95Very high132 Ų132120.3 Ų120.350%0.49855%0.554SS.*Hα-helixtrans-56.4-37.6178.4-176.4179.861.483.5-1.6113.4A190 W192A190-R194 WeakPolarHBondContact O-CB 3.1Å; A190-R194 PolarHBondContact O-N 3.36Å; W192-R194 PolarHBondContact O-N 3.33Å
195R96.3Very high95Very high122 Ų122121.9 Ų121.946%0.4656%0.559SS.*Hα-helixtrans-77.6-23.6179.7-72.5176.9-179158.86113.9H181 A191 W192 K193H181-R195 PolarHBondContact O-NH2 3.05Å; A191-R195 WeakPolarHBondContact O-CG 3.49Å; A191-R195 PolarHBondContact O-N 2.74Å; W192-R195 PolarHBondContact O-N 3.01Å; W192-R195 VanDerWaalsContact O-N 3.12Å; K193-R195 VanDerWaalsContact C-N 3.26Å; K193-R195 PolarHBondContact O-N 3.06Å
196N97.4Very high95Very high97 Ų97125 Ų12552%0.51956%0.555SS.*Hα-helixtrans-107.88.5-176.5-65.5-91.6000112.1W192 K193W192-N196 HydrophobicContact CZ2-CB 4.36Å; W192-N196 PolarHBondContact NE1-ND2 2.87Å; W192-N196 PolarHBondContact O-N 3.05Å; W192-N196 VanDerWaalsContact O-N 3.07Å; W192-N196 PolarHBondContact O-ND2 3.41Å; K193-N196 CarbonylContact O-C 3.54Å; K193-N196 PolarHBondContact O-N 2.97Å; K193-N196 VanDerWaalsContact O-N 3.09Å
197T96.9Very high95.1Very high63 Ų63129.7 Ų129.739%0.38756%0.562SS.*  trans-93.9113.3170.6-630000108.8K193 Q199K193-T197 PolarHBondContact O-N 3.15Å; K193-T197 PolarHBondContact O-OG1 2.97Å; T197-Q199 PolarHBondContact O-N 3.12Å
198L96.5Very high95Very high140 Ų140134.9 Ų134.973%0.73358%0.578SS**  trans-64.3121.7168.1-179.363.3000109L200L198-L200 HydrophobicContact CD1-CD2 4.36Å; L198-L200 HydrophobicContact CD2-CD1 4.32Å; L198-L200 HydrophobicContact CD2-CD2 3.75Å; L198-L200 HydrophobicContact CD2-CG 4.11Å; L198-L200 HydrophobicContact CG-CD2 3.77Å; L198-L200 HydrophobicContact CG-CG 4.04Å
199Q95.1Very high94.9Very high120 Ų120134.1 Ų134.156%0.56158%0.579SS**  trans-88.8114.9176-59.3-61.6-38.700108.4T197T197-Q199 PolarHBondContact O-N 3.12Å
200L95.9Very high94.8Very high108 Ų108128.8 Ų128.857%0.56556%0.564SS**  trans-110.7101.9176.7-63-177.4000108.4L198L198-L200 HydrophobicContact CD1-CD2 4.36Å; L198-L200 HydrophobicContact CD2-CD1 4.32Å; L198-L200 HydrophobicContact CD2-CD2 3.75Å; L198-L200 HydrophobicContact CD2-CG 4.11Å; L198-L200 HydrophobicContact CG-CD2 3.77Å; L198-L200 HydrophobicContact CG-CG 4.04Å
201H94.4Very high94.6Very high134 Ų134135.2 Ų135.262%0.6258%0.582SS**  trans-77.8150.9174.6-63.7-80.6000110.2Y203H201-Y203 WeakPolarHBondContact CB-O 3.39Å; H201-Y203 PolarHBondContact O-N 2.81Å
202R93.1Very high94.4Very high220 Ų220145.5 Ų145.583%0.8363%0.626SS**SBendtrans-59.1-37.7-178.3-177.7177.3-179.9176.10.7112.2
203Y91.7Very high94.1Very high179 Ų179144.1 Ų144.170%0.70263%0.627SS**  trans-115.4130.5172.8-56.8-78.5000107.1H201H201-Y203 WeakPolarHBondContact CB-O 3.39Å; H201-Y203 PolarHBondContact O-N 2.81Å
204R78.3Confident93.8Very high272 Ų272144.3 Ų144.3100%1.02663%0.627SS**  trans-101.90177.8-67.6-173-175.2-179.35109.5

Retrieved 204 of 204 residues in 220.9 ms (Link to these results)

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