A0A060XPG9_ONCMY 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 A0A060XPG9, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110488158, 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
1M63Low92Very high171 Ų17181.4 Ų81.484%0.84242%0.42SS*.  0119.70-162.4179.8-64.800108.3K5 Y6M1-K5 HydrophobicContact CG-CB 4.06Å; M1-K5 HydrophobicContact CG-CG 3.76Å; M1-K5 HydrophobicContact SD-CG 3.93Å; M1-Y6 HydrophobicContact CB-CE2 4.1Å; M1-Y6 HydrophobicContact CG-CE2 4.11Å; M1-Y6 HydrophobicContact SD-CE1 4.25Å; M1-Y6 HydrophobicContact SD-CE2 4.25Å
2G91.3Very high92.3Very high51 Ų5186.2 Ų86.253%0.52643%0.429SS..  trans-80.6155.5-171.700000114.7Y4 K5G2-Y4 PolarHBondContact O-N 3.41Å; G2-Y4 VanDerWaalsContact O-N 3.08Å; G2-K5 VanDerWaalsContact O-CB 3.28Å; G2-K5 WeakPolarHBondContact O-CB 3.3Å; G2-K5 PolarHBondContact O-N 3.13Å
3A94.6Very high92.6Very high74 Ų7491.5 Ų91.561%0.61245%0.447SS*.Hα-helixtrans-50.1-37.9-176.800000114.5K5 Y6 M7A3-K5 PolarHBondContact O-N 3.36Å; A3-Y6 PolarHBondContact O-N 3.23Å; A3-M7 WeakPolarHBondContact O-CG 3.48Å; A3-M7 PolarHBondContact O-N 2.99Å; A3-M7 VanDerWaalsContact O-N 3.1Å
4Y95Very high92.8Very high111 Ų11190.9 Ų90.944%0.43544%0.442SS..Hα-helixtrans-61.3-27.5177.9-67.8-59.4000114.1G2 M7 Q8 P45 D46G2-Y4 PolarHBondContact O-N 3.41Å; G2-Y4 VanDerWaalsContact O-N 3.08Å; Y4-M7 HydrophobicContact CD1-SD 3.98Å; Y4-M7 HydrophobicContact CE1-SD 4.45Å; Y4-Q8 WeakPolarHBondContact O-CB 3.37Å; Y4-Q8 PolarHBondContact O-N 3.25Å; Y4-P45 HydrophobicContact CE1-CB 4.36Å; Y4-D46 HydrophobicContact CD1-CB 4.05Å
5K95.6Very high93.1Very high81 Ų8196.7 Ų96.735%0.35247%0.467SS..Hα-helixtrans-68.5-45.9176.8-178.554.9167.1158.20110.5M1 G2 A3 Q8 E9M1-K5 HydrophobicContact CG-CB 4.06Å; M1-K5 HydrophobicContact CG-CG 3.76Å; M1-K5 HydrophobicContact SD-CG 3.93Å; G2-K5 VanDerWaalsContact O-CB 3.28Å; G2-K5 WeakPolarHBondContact O-CB 3.3Å; G2-K5 PolarHBondContact O-N 3.13Å; A3-K5 PolarHBondContact O-N 3.36Å; K5-Q8 WeakPolarHBondContact O-CB 3.46Å; K5-Q8 PolarHBondContact O-N 3.16Å; K5-E9 IonicContact NZ-OE1 2.75Å; K5-E9 PolarHBondContact NZ-OE1 2.88Å; K5-E9 PolarHBondContact O-N 3.46Å
6Y95.8Very high93.4Very high137 Ų13793.3 Ų93.354%0.53746%0.457SS..Hα-helixtrans-62.7-44175.6-64.3-82.3000112M1 A3 Q8 E9 L10M1-Y6 HydrophobicContact CB-CE2 4.1Å; M1-Y6 HydrophobicContact CG-CE2 4.11Å; M1-Y6 HydrophobicContact SD-CE1 4.25Å; M1-Y6 HydrophobicContact SD-CE2 4.25Å; A3-Y6 PolarHBondContact O-N 3.23Å; Y6-Q8 VanDerWaalsContact C-N 3.26Å; Y6-Q8 PolarHBondContact O-N 2.93Å; Y6-E9 PolarHBondContact O-N 3.14Å; Y6-E9 VanDerWaalsContact O-N 3.13Å; Y6-L10 PolarHBondContact O-N 3.37Å
7M95.3Very high93.6Very high57 Ų5795.1 Ų95.128%0.28147%0.469SS..Hα-helixtrans-56.4-43.2173.8-65.4178.176.200111.6A3 Y4 L10 W11 P45 D46A3-M7 WeakPolarHBondContact O-CG 3.48Å; A3-M7 PolarHBondContact O-N 2.99Å; A3-M7 VanDerWaalsContact O-N 3.1Å; Y4-M7 HydrophobicContact CD1-SD 3.98Å; Y4-M7 HydrophobicContact CE1-SD 4.45Å; M7-L10 PolarHBondContact O-N 2.91Å; M7-W11 PolarHBondContact O-N 3.01Å; M7-W11 VanDerWaalsContact O-N 3.07Å; M7-P45 HydrophobicContact CE-CB 4.25Å; M7-P45 HydrophobicContact CE-CG 4.06Å; M7-D46 HydrophobicContact CB-CB 4.01Å; M7-D46 HydrophobicContact CE-CB 4.47Å; M7-D46 HydrophobicContact SD-CB 4.41Å
8Q95.3Very high93.8Very high34 Ų3495.6 Ų95.616%0.15948%0.478CS..Hα-helixtrans-63-41.8177.6177.9179.7-600112.2Y4 K5 Y6 W11 R12Y4-Q8 WeakPolarHBondContact O-CB 3.37Å; Y4-Q8 PolarHBondContact O-N 3.25Å; K5-Q8 WeakPolarHBondContact O-CB 3.46Å; K5-Q8 PolarHBondContact O-N 3.16Å; Y6-Q8 VanDerWaalsContact C-N 3.26Å; Y6-Q8 PolarHBondContact O-N 2.93Å; Q8-W11 PolarHBondContact O-N 3.36Å; Q8-R12 WeakPolarHBondContact O-CG 3.43Å; Q8-R12 PolarHBondContact O-N 3.22Å
9E95.4Very high94Very high65 Ų6590.9 Ų90.930%0.30445%0.454SS..Hα-helixtrans-65.4-39.8178.3-62.9-50.2150.200111.8K5 Y6 W11 R12 K13K5-E9 IonicContact NZ-OE1 2.75Å; K5-E9 PolarHBondContact NZ-OE1 2.88Å; K5-E9 PolarHBondContact O-N 3.46Å; Y6-E9 PolarHBondContact O-N 3.14Å; Y6-E9 VanDerWaalsContact O-N 3.13Å; E9-W11 VanDerWaalsContact C-N 3.35Å; E9-W11 PolarHBondContact O-N 2.85Å; E9-R12 WeakPolarHBondContact O-CB 3.35Å; E9-R12 PolarHBondContact O-N 3.44Å; E9-R12 VanDerWaalsContact O-N 3.08Å; E9-R12 IonicContact OE1-CZ 3.68Å; E9-R12 IonicContact OE1-NH1 3.73Å; E9-R12 PolarHBondContact OE1-NH1 3.34Å; E9-R12 WeakPolarHBondContact OE2-CD 3.45Å; E9-R12 IonicContact OE2-CZ 3.8Å; E9-R12 IonicContact OE2-NH1 2.81Å; E9-R12 PolarHBondContact OE2-NH1 2.82Å; E9-R12 VanDerWaalsContact OE2-NH1 3.15Å; E9-K13 PolarHBondContact O-N 3.19Å
10L95.3Very high94.1Very high96 Ų9693.2 Ų93.250%0.50346%0.458SS..Hα-helixtrans-56.9-48.4171.6-72170.7000111.3Y6 M7 R12 K13 M19Y6-L10 PolarHBondContact O-N 3.37Å; M7-L10 PolarHBondContact O-N 2.91Å; L10-R12 PolarHBondContact O-N 2.98Å; L10-K13 CarbonylContact O-C 3.55Å; L10-K13 PolarHBondContact O-N 2.87Å; L10-M19 WeakPolarHBondContact O-CG 3.29Å
11W95.4Very high94.3Very high18 Ų1895.5 Ų95.57%0.06847%0.465CS..Hα-helixtrans-69.3-15.3177.8-79.7108.1000114.4M7 Q8 E9 K14 M19 L23 R44 W120M7-W11 PolarHBondContact O-N 3.01Å; M7-W11 VanDerWaalsContact O-N 3.07Å; Q8-W11 PolarHBondContact O-N 3.36Å; E9-W11 VanDerWaalsContact C-N 3.35Å; E9-W11 PolarHBondContact O-N 2.85Å; W11-K14 VanDerWaalsContact O-CE 3.31Å; W11-K14 WeakPolarHBondContact O-CE 3.38Å; W11-K14 VanDerWaalsContact O-CG 3.23Å; W11-K14 WeakPolarHBondContact O-CG 3.28Å; W11-K14 PolarHBondContact O-NZ 3.27Å; W11-M19 HydrophobicContact CD2-CE 3.77Å; W11-M19 HydrophobicContact CE3-CE 3.45Å; W11-M19 VanDerWaalsContact CE3-CE 3.45Å; W11-M19 HydrophobicContact CH2-CE 4Å; W11-M19 HydrophobicContact CZ2-CE 4.25Å; W11-M19 HydrophobicContact CZ3-CE 3.59Å; W11-L23 HydrophobicContact CH2-CD2 4.14Å; W11-L23 HydrophobicContact CZ3-CD2 3.94Å; W11-R44 HydrophobicContact CD2-CG 4.21Å; W11-R44 VanDerWaalsContact CD2-NE 3.28Å; W11-R44 HydrophobicContact CH2-CG 3.79Å; W11-R44 HydrophobicContact CZ2-CG 3.28Å; W11-R44 HydrophobicContact CZ3-CG 4.43Å; W11-W120 HydrophobicContact CZ3-CZ3 4.05Å
12R95.6Very high95.9Very high139 Ų13990.2 Ų90.253%0.52544%0.44SS..Hα-helixtrans-76.4-43171.2-77.6167.1164.5-171.1-7.6110.2Q8 E9 L10 K14Q8-R12 WeakPolarHBondContact O-CG 3.43Å; Q8-R12 PolarHBondContact O-N 3.22Å; E9-R12 WeakPolarHBondContact O-CB 3.35Å; E9-R12 PolarHBondContact O-N 3.44Å; E9-R12 VanDerWaalsContact O-N 3.08Å; E9-R12 IonicContact OE1-CZ 3.68Å; E9-R12 IonicContact OE1-NH1 3.73Å; E9-R12 PolarHBondContact OE1-NH1 3.34Å; E9-R12 WeakPolarHBondContact OE2-CD 3.45Å; E9-R12 IonicContact OE2-CZ 3.8Å; E9-R12 IonicContact OE2-NH1 2.81Å; E9-R12 PolarHBondContact OE2-NH1 2.82Å; E9-R12 VanDerWaalsContact OE2-NH1 3.15Å; L10-R12 PolarHBondContact O-N 2.98Å; R12-K14 VanDerWaalsContact C-N 3.32Å; R12-K14 PolarHBondContact O-N 3.11Å
13K96.6Very high96.2Very high155 Ų15588.9 Ų88.967%0.67442%0.421SS*.  trans-83.460.1177.9-62.4-172.9178.2-175.10113E9 L10 Q15 S16E9-K13 PolarHBondContact O-N 3.19Å; L10-K13 CarbonylContact O-C 3.55Å; L10-K13 PolarHBondContact O-N 2.87Å; K13-Q15 PolarHBondContact O-N 3.29Å; K13-Q15 VanDerWaalsContact O-N 3.16Å; K13-S16 PolarHBondContact O-N 3.44Å; K13-S16 PolarHBondContact O-OG 3.05Å; K13-S16 VanDerWaalsContact O-OG 3.04Å
14K95.5Very high96.3Very high84 Ų8493.8 Ų93.837%0.36542%0.423SS..THydrogen-bonded Turntrans-66.8-15.9-176.4-60.8-177.7-169.259.20115.1W11 R12 W120W11-K14 VanDerWaalsContact O-CE 3.31Å; W11-K14 WeakPolarHBondContact O-CE 3.38Å; W11-K14 VanDerWaalsContact O-CG 3.23Å; W11-K14 WeakPolarHBondContact O-CG 3.28Å; W11-K14 PolarHBondContact O-NZ 3.27Å; R12-K14 VanDerWaalsContact C-N 3.32Å; R12-K14 PolarHBondContact O-N 3.11Å; K14-W120 HydrophobicContact CD-CH2 4.24Å; K14-W120 HydrophobicContact CD-CZ3 4.06Å
15Q97.1Very high96.4Very high177 Ų17791.7 Ų91.783%0.82742%0.422SS*.THydrogen-bonded Turntrans-86.5-7.3178.4-72.8177.1-23.100113.1K13 R20K13-Q15 PolarHBondContact O-N 3.29Å; K13-Q15 VanDerWaalsContact O-N 3.16Å; Q15-R20 WeakPolarHBondContact O-CD 3.3Å
16S97.7Very high96.5Very high43 Ų4390.2 Ų90.230%0.30141%0.414SS..SBendtrans-63.1151.2173.967.60000111.2K13 V18 M19 R20K13-S16 PolarHBondContact O-N 3.44Å; K13-S16 PolarHBondContact O-OG 3.05Å; K13-S16 VanDerWaalsContact O-OG 3.04Å; S16-V18 VanDerWaalsContact C-N 3.28Å; S16-V18 PolarHBondContact O-N 3.5Å; S16-M19 PolarHBondContact O-N 3.12Å; S16-M19 WeakPolarHBondContact OG-CB 3.43Å; S16-M19 WeakPolarHBondContact OG-CG 3.29Å; S16-M19 PolarHBondContact OG-N 3.33Å; S16-R20 WeakPolarHBondContact O-CG 3.46Å; S16-R20 PolarHBondContact O-N 2.86Å
17D97.8Very high96.6Very high123 Ų12384.1 Ų84.166%0.65839%0.392SS*.Hα-helixtrans-60.2-39.9-176.3-60.7-43.3000112.2M19 R20 F21D17-M19 PolarHBondContact O-N 2.89Å; D17-R20 PolarHBondContact O-N 2.81Å; D17-R20 IonicContact OD1-NH1 3.97Å; D17-F21 VanDerWaalsContact O-CB 3.29Å; D17-F21 WeakPolarHBondContact O-CB 3.5Å; D17-F21 PolarHBondContact O-N 3.49Å
18V96.7Very high96.7Very high105 Ų10589.4 Ų89.464%0.63641%0.409SS*.Hα-helixtrans-56.4-48.7173.7179.50000111.5S16 L22S16-V18 VanDerWaalsContact C-N 3.28Å; S16-V18 PolarHBondContact O-N 3.5Å; V18-L22 VanDerWaalsContact O-CB 3.31Å; V18-L22 WeakPolarHBondContact O-CB 3.43Å; V18-L22 PolarHBondContact O-N 3.42Å
19M96.8Very high96.7Very high6 Ų692.3 Ų92.33%0.0342%0.422CS..Hα-helixtrans-71.9-37.3-178.2-74.7-57.7-5400112.2L10 W11 S16 D17 L22 L23L10-M19 WeakPolarHBondContact O-CG 3.29Å; W11-M19 HydrophobicContact CD2-CE 3.77Å; W11-M19 HydrophobicContact CE3-CE 3.45Å; W11-M19 VanDerWaalsContact CE3-CE 3.45Å; W11-M19 HydrophobicContact CH2-CE 4Å; W11-M19 HydrophobicContact CZ2-CE 4.25Å; W11-M19 HydrophobicContact CZ3-CE 3.59Å; S16-M19 PolarHBondContact O-N 3.12Å; S16-M19 WeakPolarHBondContact OG-CB 3.43Å; S16-M19 WeakPolarHBondContact OG-CG 3.29Å; S16-M19 PolarHBondContact OG-N 3.33Å; D17-M19 PolarHBondContact O-N 2.89Å; M19-L22 HydrophobicContact SD-CD2 4.48Å; M19-L23 HydrophobicContact CE-CD1 4.46Å; M19-L23 HydrophobicContact CE-CG 4.42Å; M19-L23 VanDerWaalsContact O-CB 3.26Å; M19-L23 WeakPolarHBondContact O-CB 3.35Å; M19-L23 WeakPolarHBondContact O-CG 3.45Å; M19-L23 PolarHBondContact O-N 2.95Å
20R97.1Very high96.8Very high137 Ų13789.4 Ų89.452%0.51741%0.408SS..Hα-helixtrans-63.4-46176-71.6175.169.7-169.35.5111.1Q15 S16 D17 R24Q15-R20 WeakPolarHBondContact O-CD 3.3Å; S16-R20 WeakPolarHBondContact O-CG 3.46Å; S16-R20 PolarHBondContact O-N 2.86Å; D17-R20 PolarHBondContact O-N 2.81Å; D17-R20 IonicContact OD1-NH1 3.97Å; R20-R24 WeakPolarHBondContact O-CB 3.49Å; R20-R24 PolarHBondContact O-N 2.81Å
21F97.7Very high96.9Very high141 Ų14189.4 Ų89.462%0.61840%0.402SS*.Hα-helixtrans-59.4-53.1175.3176.5-99.3000111.1D17 L23 R24 V25D17-F21 VanDerWaalsContact O-CB 3.29Å; D17-F21 WeakPolarHBondContact O-CB 3.5Å; D17-F21 PolarHBondContact O-N 3.49Å; F21-L23 VanDerWaalsContact C-N 3.34Å; F21-L23 PolarHBondContact O-N 2.85Å; F21-R24 WeakPolarHBondContact O-CB 3.32Å; F21-R24 PolarHBondContact O-N 2.88Å; F21-R24 VanDerWaalsContact O-N 3.15Å; F21-V25 HydrophobicContact CE1-CG2 4.22Å; F21-V25 HydrophobicContact CE2-CG2 4.21Å; F21-V25 HydrophobicContact CZ-CG2 4Å; F21-V25 PolarHBondContact O-N 2.82Å; F21-V25 VanDerWaalsContact O-N 3.07Å
22L97.3Very high96.9Very high60 Ų6095.1 Ų95.131%0.31443%0.429SS..Hα-helixtrans-59.9-42.4-178.9-175.467.3000112.6V18 M19 R26V18-L22 VanDerWaalsContact O-CB 3.31Å; V18-L22 WeakPolarHBondContact O-CB 3.43Å; V18-L22 PolarHBondContact O-N 3.42Å; M19-L22 HydrophobicContact SD-CD2 4.48Å; L22-R26 WeakPolarHBondContact O-CB 3.48Å; L22-R26 VanDerWaalsContact O-CG 3.31Å; L22-R26 WeakPolarHBondContact O-CG 3.19Å; L22-R26 PolarHBondContact O-N 2.81Å; L22-R26 VanDerWaalsContact O-N 3.07Å
23L97Very high97Very high24 Ų2491.6 Ų91.613%0.12642%0.42CS..Hα-helixtrans-67.9-36.8177.9-74.6173.6000112.2W11 M19 F21 R26 C27 W120 V121W11-L23 HydrophobicContact CH2-CD2 4.14Å; W11-L23 HydrophobicContact CZ3-CD2 3.94Å; M19-L23 HydrophobicContact CE-CD1 4.46Å; M19-L23 HydrophobicContact CE-CG 4.42Å; M19-L23 VanDerWaalsContact O-CB 3.26Å; M19-L23 WeakPolarHBondContact O-CB 3.35Å; M19-L23 WeakPolarHBondContact O-CG 3.45Å; M19-L23 PolarHBondContact O-N 2.95Å; F21-L23 VanDerWaalsContact C-N 3.34Å; F21-L23 PolarHBondContact O-N 2.85Å; L23-R26 PolarHBondContact O-N 3.32Å; L23-C27 WeakPolarHBondContact O-CB 3.24Å; L23-C27 PolarHBondContact O-N 3.48Å; L23-C27 PolarHBondContact O-SG 3.13Å; L23-W120 HydrophobicContact CD1-CH2 4Å; L23-W120 HydrophobicContact CD2-CH2 4.03Å; L23-W120 HydrophobicContact CD2-CZ3 4.34Å; L23-V121 WeakPolarHBondContact CD2-O 3.26Å
24R97.2Very high97Very high176 Ų17687.5 Ų87.566%0.66441%0.412SS*.Hα-helixtrans-61.7-51.5176.2-176.2-178.4-67.2178.5-2.4111.1R20 F21 R26 C27 W28R20-R24 WeakPolarHBondContact O-CB 3.49Å; R20-R24 PolarHBondContact O-N 2.81Å; F21-R24 WeakPolarHBondContact O-CB 3.32Å; F21-R24 PolarHBondContact O-N 2.88Å; F21-R24 VanDerWaalsContact O-N 3.15Å; R24-R26 VanDerWaalsContact C-N 3.33Å; R24-R26 PolarHBondContact O-N 3.15Å; R24-C27 PolarHBondContact O-N 2.92Å; R24-W28 PolarHBondContact O-N 3.01Å
25V97.6Very high97.1Very high67 Ų6784.9 Ų84.941%0.40641%0.408SS..Hα-helixtrans-60.4-43.5178.8176.40000111F21 W28 Q29F21-V25 HydrophobicContact CE1-CG2 4.22Å; F21-V25 HydrophobicContact CE2-CG2 4.21Å; F21-V25 HydrophobicContact CZ-CG2 4Å; F21-V25 PolarHBondContact O-N 2.82Å; F21-V25 VanDerWaalsContact O-N 3.07Å; V25-W28 PolarHBondContact O-N 3.29Å; V25-Q29 PolarHBondContact O-N 3.1Å
26R97Very high97.1Very high50 Ų5078.1 Ų78.119%0.18938%0.377CS..Hα-helixtrans-64.6-45.3177.2-76.8177175.7168.1-2.6113.1L22 L23 R24 W28 Q29 Y30 T43L22-R26 WeakPolarHBondContact O-CB 3.48Å; L22-R26 VanDerWaalsContact O-CG 3.31Å; L22-R26 WeakPolarHBondContact O-CG 3.19Å; L22-R26 PolarHBondContact O-N 2.81Å; L22-R26 VanDerWaalsContact O-N 3.07Å; L23-R26 PolarHBondContact O-N 3.32Å; R24-R26 VanDerWaalsContact C-N 3.33Å; R24-R26 PolarHBondContact O-N 3.15Å; R26-W28 VanDerWaalsContact C-N 3.28Å; R26-W28 PolarHBondContact O-N 3.22Å; R26-Q29 PolarHBondContact O-N 3.39Å; R26-Y30 HydrophobicContact CB-CE1 4.46Å; R26-Y30 HydrophobicContact CB-CE2 3.97Å; R26-Y30 WeakPolarHBondContact O-CB 3.09Å; R26-Y30 WeakPolarHBondContact O-CD1 3.21Å; R26-Y30 WeakPolarHBondContact O-CD2 3.25Å; R26-Y30 PolarHBondContact O-N 3.12Å; R26-T43 VanDerWaalsContact NH1-CG2 3.26Å
27C96.7Very high97.1Very high9 Ų977.4 Ų77.46%0.06137%0.369CS..Hα-helixtrans-61-39.6177.3-760000111.3L23 R24 Y30 R31 E123 F129L23-C27 WeakPolarHBondContact O-CB 3.24Å; L23-C27 PolarHBondContact O-N 3.48Å; L23-C27 PolarHBondContact O-SG 3.13Å; R24-C27 PolarHBondContact O-N 2.92Å; C27-Y30 PolarHBondContact O-N 3.2Å; C27-R31 WeakPolarHBondContact O-CG 3.3Å; C27-R31 PolarHBondContact O-N 2.65Å; C27-R31 VanDerWaalsContact O-N 3.12Å; C27-E123 PolarHBondContact SG-O 2.98Å; C27-F129 HydrophobicContact CB-CE2 4.32Å
28W97.3Very high97.1Very high168 Ų16879.4 Ų79.464%0.63637%0.368SS*.Hα-helixtrans-59.4-51.7172.317285.9000111.5R24 V25 R26 Y30 R31 Q32R24-W28 PolarHBondContact O-N 3.01Å; V25-W28 PolarHBondContact O-N 3.29Å; R26-W28 VanDerWaalsContact C-N 3.28Å; R26-W28 PolarHBondContact O-N 3.22Å; W28-Y30 VanDerWaalsContact C-N 3.34Å; W28-Y30 PolarHBondContact O-N 2.96Å; W28-R31 WeakPolarHBondContact O-CB 3.47Å; W28-R31 PolarHBondContact O-N 3.07Å; W28-R31 VanDerWaalsContact O-N 3.17Å; W28-Q32 PolarHBondContact O-N 3.44Å
29Q97.2Very high97.1Very high96 Ų9674.5 Ų74.545%0.44934%0.338SS..Hα-helixtrans-57.1-46.3178-173.6-17224.800111.8V25 R26 R31 Q32 L33V25-Q29 PolarHBondContact O-N 3.1Å; R26-Q29 PolarHBondContact O-N 3.39Å; Q29-R31 PolarHBondContact O-N 2.9Å; Q29-Q32 PolarHBondContact O-N 3.29Å; Q29-L33 PolarHBondContact O-N 2.93Å
30Y97.2Very high97Very high3 Ų380.2 Ų80.21%0.01238%0.376CS..Hα-helixtrans-69.5-20.8-177-58.9-15.4000113.5R26 C27 W28 T43 R63 V121 F129R26-Y30 HydrophobicContact CB-CE1 4.46Å; R26-Y30 HydrophobicContact CB-CE2 3.97Å; R26-Y30 WeakPolarHBondContact O-CB 3.09Å; R26-Y30 WeakPolarHBondContact O-CD1 3.21Å; R26-Y30 WeakPolarHBondContact O-CD2 3.25Å; R26-Y30 PolarHBondContact O-N 3.12Å; C27-Y30 PolarHBondContact O-N 3.2Å; W28-Y30 VanDerWaalsContact C-N 3.34Å; W28-Y30 PolarHBondContact O-N 2.96Å; Y30-T43 WeakPolarHBondContact OH-CG2 3.49Å; Y30-T43 PolarHBondContact OH-OG1 3.07Å; Y30-T43 VanDerWaalsContact OH-OG1 3.07Å; Y30-R63 VanDerWaalsContact CZ-CZ 3.45Å; Y30-R63 PolarHBondContact OH-NH2 2.9Å; Y30-V121 HydrophobicContact CE2-CB 4.5Å; Y30-V121 HydrophobicContact CE2-CG2 3.92Å; Y30-F129 HydrophobicContact CD2-CB 4.06Å; Y30-F129 HydrophobicContact CD2-CD1 4.09Å; Y30-F129 HydrophobicContact CD2-CD2 4.32Å; Y30-F129 AromaticContact CD2-CG 3.9Å; Y30-F129 HydrophobicContact CD2-CG 3.9Å; Y30-F129 HydrophobicContact CG-CD1 4.32Å
31R96.1Very high97Very high97 Ų9783.4 Ų83.437%0.36639%0.388SS..Hα-helixtrans-71.3-36.4173.1-81.8-177167-143.6-5.4112.4C27 W28 Q29 L33 R65 D124 T126 F129C27-R31 WeakPolarHBondContact O-CG 3.3Å; C27-R31 PolarHBondContact O-N 2.65Å; C27-R31 VanDerWaalsContact O-N 3.12Å; W28-R31 WeakPolarHBondContact O-CB 3.47Å; W28-R31 PolarHBondContact O-N 3.07Å; W28-R31 VanDerWaalsContact O-N 3.17Å; Q29-R31 PolarHBondContact O-N 2.9Å; R31-L33 VanDerWaalsContact C-N 3.29Å; R31-R65 PolarHBondContact O-NH1 3.48Å; R31-D124 IonicContact CZ-OD1 2.76Å; R31-D124 IonicContact CZ-OD2 3Å; R31-D124 IonicContact NE-OD1 2.81Å; R31-D124 IonicContact NE-OD2 2.7Å; R31-D124 PolarHBondContact NE-OD2 3.21Å; R31-D124 IonicContact NH2-OD1 3.67Å; R31-D124 PolarHBondContact NH2-OD1 3.04Å; R31-D124 IonicContact NH2-OD2 3.07Å; R31-D124 PolarHBondContact NH2-OD2 3.03Å; R31-T126 PolarHBondContact NH2-OG1 3.28Å; R31-F129 HydrophobicContact CG-CZ 4.08Å
32Q97.1Very high97Very high137 Ų13777.6 Ų77.664%0.6436%0.364SS*.Hα-helixtrans-71.4-27.1179.2-55.1-53.4-24.100112.3W28 Q29W28-Q32 PolarHBondContact O-N 3.44Å; Q29-Q32 PolarHBondContact O-N 3.29Å
33L96.9Very high97Very high65 Ų6575.7 Ų75.734%0.3436%0.355SS..SBendtrans-78.7161.1177.7-60.2173.8000112.2Q29 R31 H37 R65Q29-L33 PolarHBondContact O-N 2.93Å; R31-L33 VanDerWaalsContact C-N 3.29Å; L33-H37 VanDerWaalsContact CB-CE1 3.49Å; L33-H37 WeakPolarHBondContact CB-CE1 3.49Å; L33-H37 VanDerWaalsContact CD1-NE2 3.3Å; L33-H37 WeakPolarHBondContact CD1-NE2 3.39Å; L33-R65 PolarHBondContact O-NH1 3.06Å
34S97.3Very high96.9Very high70 Ų7075.9 Ų75.949%0.4935%0.354SS..  trans-60.7156.117771.50000111.6L36 H37S34-L36 PolarHBondContact O-N 3.1Å; S34-L36 PolarHBondContact OG-O 3.45Å; S34-H37 PolarHBondContact O-ND1 3Å; S34-H37 WeakPolarHBondContact OG-CB 3.46Å
35G96.1Very high96.9Very high28 Ų2869.7 Ų69.729%0.28934%0.337SS..SBendtrans-61.4-19.8-174.900000114.8V64 R65G35-V64 WeakPolarHBondContact O-CA 3.48Å; G35-R65 PolarHBondContact O-N 2.76Å
36L97.8Very high96.9Very high35 Ų3566.9 Ų66.918%0.18332%0.319CS..EExtended strand (participates in β ladder)trans-143.4116.5172-178.5157.6000107.4S34 Y62 R63 V64 R105 H109S34-L36 PolarHBondContact O-N 3.1Å; S34-L36 PolarHBondContact OG-O 3.45Å; L36-Y62 HydrophobicContact CD2-CD1 3.47Å; L36-Y62 VanDerWaalsContact CD2-CD1 3.47Å; L36-Y62 HydrophobicContact CD2-CE1 3.71Å; L36-Y62 HydrophobicContact CG-CD1 4.23Å; L36-R63 WeakPolarHBondContact CA-O 3.37Å; L36-V64 HydrophobicContact CD1-CG2 4.18Å; L36-V64 HydrophobicContact CG-CG2 4.11Å; L36-R105 HydrophobicContact CD1-CB 4.42Å; L36-R105 WeakPolarHBondContact CD1-O 3.28Å; L36-H109 HydrophobicContact CD1-CB 3.66Å; L36-H109 HydrophobicContact CD2-CB 4.04Å; L36-H109 WeakPolarHBondContact CD2-CD2 3.14Å
37H97.8Very high96.9Very high29 Ų2967.3 Ų67.313%0.13432%0.323CS..EExtended strand (participates in β ladder)trans-141.1156.2177.858.6-87.5000111.1L33 S34 Y62 R63L33-H37 VanDerWaalsContact CB-CE1 3.49Å; L33-H37 WeakPolarHBondContact CB-CE1 3.49Å; L33-H37 VanDerWaalsContact CD1-NE2 3.3Å; L33-H37 WeakPolarHBondContact CD1-NE2 3.39Å; S34-H37 PolarHBondContact O-ND1 3Å; S34-H37 WeakPolarHBondContact OG-CB 3.46Å; H37-Y62 CarbonylContact O-C 3.59Å; H37-Y62 WeakPolarHBondContact O-CA 3.37Å; H37-Y62 WeakPolarHBondContact O-CD1 3.4Å; H37-R63 PolarHBondContact N-O 3.49Å; H37-R63 PolarHBondContact NE2-NH1 3.02Å; H37-R63 PolarHBondContact O-N 3Å
38R97.6Very high96.9Very high164 Ų16466.9 Ų66.962%0.61932%0.32SS*.EExtended strand (participates in β ladder)trans-73.2131.7173.8-173.3177.8176.8-175.80.3109.9V60 Y62R38-V60 HydrophobicContact CG-CG1 4.08Å; R38-Y62 HydrophobicContact CB-CD1 4.45Å; R38-Y62 HydrophobicContact CB-CE1 4.06Å; R38-Y62 HydrophobicContact CB-CE2 4.28Å; R38-Y62 HydrophobicContact CG-CE2 4.25Å
39A96.8Very high96.9Very high3 Ų366 Ų663%0.02532%0.316CS..EExtended strand (participates in β ladder)trans-96.2133.4170.600000109.3R41 I61A39-R41 VanDerWaalsContact C-N 3.35Å; A39-R41 PolarHBondContact O-N 3Å; A39-I61 HydrophobicContact CB-CB 4.4Å; A39-I61 HydrophobicContact CB-CG2 4.04Å; A39-I61 PolarHBondContact N-O 3.47Å
40P95.3Very high96.9Very high125 Ų12568 Ų6881%0.81232%0.32SS*.SBendtrans-69.3-33.6-178.325.9-33.6000112.5
41R95.9Very high96.9Very high204 Ų20469.9 Ų69.977%0.7733%0.33SS*.SBendtrans-141.7154.5-179.3-66.9-178.1-176.3148.70.8110.1A39 T43A39-R41 VanDerWaalsContact C-N 3.35Å; A39-R41 PolarHBondContact O-N 3Å; R41-T43 PolarHBondContact O-N 3.34Å
42P97.6Very high96.9Very high19 Ų1966.8 Ų66.812%0.12333%0.329CS..  trans-62.8131.5173.722.4-29.7000110.3R44 P45 A48 Y53 I61 Y119P42-R44 PolarHBondContact O-N 2.84Å; P42-P45 HydrophobicContact CG-CB 4.38Å; P42-P45 HydrophobicContact CG-CG 4.22Å; P42-A48 HydrophobicContact CB-CB 3.87Å; P42-A48 HydrophobicContact CG-CB 4.49Å; P42-Y53 HydrophobicContact CG-CD1 4.41Å; P42-Y53 HydrophobicContact CG-CE1 3.91Å; P42-I61 HydrophobicContact CB-CD1 3.44Å; P42-I61 VanDerWaalsContact CB-CD1 3.44Å; P42-I61 HydrophobicContact CG-CD1 3.93Å; P42-Y119 VanDerWaalsContact CB-OH 3.24Å; P42-Y119 WeakPolarHBondContact CB-OH 3.28Å
43T97Very high96.9Very high21 Ų2162 Ų6213%0.12931%0.305CS..SBendtrans-66.1-27.7171.6-610000111.2R26 Y30 R41 R63 E131R26-T43 VanDerWaalsContact NH1-CG2 3.26Å; Y30-T43 WeakPolarHBondContact OH-CG2 3.49Å; Y30-T43 PolarHBondContact OH-OG1 3.07Å; Y30-T43 VanDerWaalsContact OH-OG1 3.07Å; R41-T43 PolarHBondContact O-N 3.34Å; T43-R63 PolarHBondContact OG1-NH2 2.87Å; T43-E131 WeakPolarHBondContact CB-OE1 3.44Å; T43-E131 PolarHBondContact N-OE2 3.32Å; T43-E131 PolarHBondContact OG1-OE1 3.43Å
44R96.4Very high96.8Very high28 Ų2862.5 Ų62.511%0.10630%0.304CS..  trans-125.880.3178.4-61.9-173.759.1-171.1-0.7111.2W11 P42 D46 K47 A48 Y119 W120W11-R44 HydrophobicContact CD2-CG 4.21Å; W11-R44 VanDerWaalsContact CD2-NE 3.28Å; W11-R44 HydrophobicContact CH2-CG 3.79Å; W11-R44 HydrophobicContact CZ2-CG 3.28Å; W11-R44 HydrophobicContact CZ3-CG 4.43Å; P42-R44 PolarHBondContact O-N 2.84Å; R44-D46 IonicContact NH2-OD2 3.4Å; R44-D46 PolarHBondContact O-N 2.78Å; R44-K47 HydrophobicContact CB-CB 3.85Å; R44-K47 PolarHBondContact O-N 2.99Å; R44-K47 VanDerWaalsContact O-N 3.16Å; R44-A48 WeakPolarHBondContact O-CB 3.33Å; R44-A48 PolarHBondContact O-N 2.77Å; R44-Y119 HydrophobicContact CB-CD2 4.24Å; R44-Y119 HydrophobicContact CB-CE2 3.72Å; R44-Y119 HydrophobicContact CG-CE2 4.25Å; R44-W120 PolarHBondContact NH1-O 3.15Å
45P96.6Very high96.7Very high45 Ų4565 Ų6529%0.29232%0.321SS..Hα-helixtrans-54.9-39.1178.4-24.732.2000113.1Y4 M7 P42 K47 R49Y4-P45 HydrophobicContact CE1-CB 4.36Å; M7-P45 HydrophobicContact CE-CB 4.25Å; M7-P45 HydrophobicContact CE-CG 4.06Å; P42-P45 HydrophobicContact CG-CB 4.38Å; P42-P45 HydrophobicContact CG-CG 4.22Å; P45-K47 PolarHBondContact O-N 2.9Å; P45-R49 VanDerWaalsContact O-CB 3.26Å; P45-R49 WeakPolarHBondContact O-CB 3.45Å; P45-R49 PolarHBondContact O-N 3.44Å
46D96.6Very high96.7Very high8 Ų866.3 Ų66.34%0.04332%0.318CS..Hα-helixtrans-57.8-47.3176.667.5-59.2000112.2Y4 M7 R44 R50Y4-D46 HydrophobicContact CD1-CB 4.05Å; M7-D46 HydrophobicContact CB-CB 4.01Å; M7-D46 HydrophobicContact CE-CB 4.47Å; M7-D46 HydrophobicContact SD-CB 4.41Å; R44-D46 IonicContact NH2-OD2 3.4Å; R44-D46 PolarHBondContact O-N 2.78Å; D46-R50 PolarHBondContact O-N 3.46Å
47K97.5Very high96.6Very high59 Ų5971.3 Ų71.326%0.25734%0.341SS..Hα-helixtrans-77.4-40.3-176.5-175.957.4176.6176.30111.2R44 P45 R49 R50 L51 Y119R44-K47 HydrophobicContact CB-CB 3.85Å; R44-K47 PolarHBondContact O-N 2.99Å; R44-K47 VanDerWaalsContact O-N 3.16Å; P45-K47 PolarHBondContact O-N 2.9Å; K47-R49 VanDerWaalsContact C-N 3.34Å; K47-R50 PolarHBondContact O-N 2.83Å; K47-L51 HydrophobicContact CD-CD1 4.46Å; K47-L51 HydrophobicContact CG-CD1 4.33Å; K47-L51 WeakPolarHBondContact O-CG 3.24Å; K47-L51 PolarHBondContact O-N 2.8Å; K47-Y119 HydrophobicContact CB-CD2 4.46Å; K47-Y119 HydrophobicContact CG-CD1 4.49Å; K47-Y119 HydrophobicContact CG-CD2 4.13Å; K47-Y119 HydrophobicContact CG-CG 3.87Å
48A97.8Very high96.5Very high0 Ų070.4 Ų70.40%034%0.339CS..Hα-helixtrans-59.1-47.217600000110.7P42 R44 R50 L51 G52 Y53 Y119 I133P42-A48 HydrophobicContact CB-CB 3.87Å; P42-A48 HydrophobicContact CG-CB 4.49Å; R44-A48 WeakPolarHBondContact O-CB 3.33Å; R44-A48 PolarHBondContact O-N 2.77Å; A48-R50 VanDerWaalsContact C-N 3.34Å; A48-R50 PolarHBondContact O-N 2.55Å; A48-L51 CarbonylContact O-C 3.59Å; A48-L51 WeakPolarHBondContact O-CA 3.29Å; A48-L51 PolarHBondContact O-N 3.34Å; A48-G52 PolarHBondContact O-N 2.97Å; A48-Y53 HydrophobicContact CB-CD1 4.1Å; A48-Y53 HydrophobicContact CB-CG 4.05Å; A48-Y53 VanDerWaalsContact O-CB 3.24Å; A48-Y53 WeakPolarHBondContact O-CB 3.35Å; A48-Y53 PolarHBondContact O-N 3.03Å; A48-Y119 HydrophobicContact CB-CE1 3.8Å; A48-I133 HydrophobicContact CB-CD1 4.42Å
49R96.7Very high96.5Very high150 Ų15063.7 Ų63.757%0.56631%0.314SS*.Hα-helixtrans-58.8-43.9179.3-171.2177.1-178.496.8-0.1112P45 K47 L51 G52P45-R49 VanDerWaalsContact O-CB 3.26Å; P45-R49 WeakPolarHBondContact O-CB 3.45Å; P45-R49 PolarHBondContact O-N 3.44Å; K47-R49 VanDerWaalsContact C-N 3.34Å; R49-L51 PolarHBondContact O-N 3Å; R49-G52 PolarHBondContact O-N 2.83Å
50R96.3Very high96.6Very high137 Ų13764.6 Ų64.652%0.51732%0.319SS..Hα-helixtrans-61.6-26.5175.9-167.6177.6-51.4179.55.3113.5D46 K47 A48 G52D46-R50 PolarHBondContact O-N 3.46Å; K47-R50 PolarHBondContact O-N 2.83Å; A48-R50 VanDerWaalsContact C-N 3.34Å; A48-R50 PolarHBondContact O-N 2.55Å; R50-G52 VanDerWaalsContact C-N 3.32Å
51L97.1Very high96.7Very high43 Ų4359 Ų5923%0.22528%0.282CS..THydrogen-bonded Turntrans-927.7178.4-66.7173.8000112.9K47 A48 R49 L116 A117 S118 Y119 I133K47-L51 HydrophobicContact CD-CD1 4.46Å; K47-L51 HydrophobicContact CG-CD1 4.33Å; K47-L51 WeakPolarHBondContact O-CG 3.24Å; K47-L51 PolarHBondContact O-N 2.8Å; A48-L51 CarbonylContact O-C 3.59Å; A48-L51 WeakPolarHBondContact O-CA 3.29Å; A48-L51 PolarHBondContact O-N 3.34Å; R49-L51 PolarHBondContact O-N 3Å; L51-L116 WeakPolarHBondContact O-CD2 3.3Å; L51-A117 HydrophobicContact CB-CB 3.94Å; L51-A117 HydrophobicContact CD1-CB 4.4Å; L51-A117 HydrophobicContact CD2-CB 4.36Å; L51-A117 HydrophobicContact CG-CB 4.47Å; L51-S118 VanDerWaalsContact CD1-O 3.3Å; L51-S118 WeakPolarHBondContact CD1-O 3.08Å; L51-Y119 HydrophobicContact CD1-CD1 3.75Å; L51-Y119 HydrophobicContact CD1-CG 4.19Å; L51-I133 HydrophobicContact CB-CD1 3.87Å
52G96Very high96.8Very high33 Ų3351.2 Ų51.234%0.3425%0.253SS..THydrogen-bonded Turntrans9310.3175.200000114.9A48 R49 R50 Y59A48-G52 PolarHBondContact O-N 2.97Å; R49-G52 PolarHBondContact O-N 2.83Å; R50-G52 VanDerWaalsContact C-N 3.32Å; G52-Y59 WeakPolarHBondContact O-CE1 3.34Å; G52-Y59 PolarHBondContact O-OH 2.68Å
53Y97.6Very high96.9Very high35 Ų3551.3 Ų51.314%0.13725%0.251CS..  trans-66.1132.5168.3176.6-98.1000110.5P42 A48 C55 Y59 I61 I133P42-Y53 HydrophobicContact CG-CD1 4.41Å; P42-Y53 HydrophobicContact CG-CE1 3.91Å; A48-Y53 HydrophobicContact CB-CD1 4.1Å; A48-Y53 HydrophobicContact CB-CG 4.05Å; A48-Y53 VanDerWaalsContact O-CB 3.24Å; A48-Y53 WeakPolarHBondContact O-CB 3.35Å; A48-Y53 PolarHBondContact O-N 3.03Å; Y53-C55 HydrophobicContact CE1-CB 4.33Å; Y53-Y59 AromaticContact CD2-CD1 3.76Å; Y53-Y59 HydrophobicContact CD2-CD1 3.76Å; Y53-Y59 HydrophobicContact CD2-CG 4.25Å; Y53-Y59 HydrophobicContact CE2-CD1 4.36Å; Y53-Y59 HydrophobicContact CE2-CG 4.43Å; Y53-Y59 HydrophobicContact CG-CD1 4.48Å; Y53-I61 HydrophobicContact CD2-CD1 4.03Å; Y53-I61 HydrophobicContact CD2-CG1 4.24Å; Y53-I61 HydrophobicContact CE2-CD1 3.75Å; Y53-I61 HydrophobicContact CE2-CG1 4Å; Y53-I133 HydrophobicContact CD2-CG2 4.18Å
54K96.1Very high97Very high77 Ų7750.3 Ų50.334%0.33525%0.245SC..  trans-122.4143168.9-64.6-172.3-179.8-174.80108.3K56 Y59 D147K54-K56 HydrophobicContact CB-CD 4.47Å; K54-K56 HydrophobicContact CB-CG 4.11Å; K54-K56 PolarHBondContact O-N 2.95Å; K54-Y59 HydrophobicContact CB-CE2 4.19Å; K54-D147 IonicContact NZ-OD2 3.37Å; K54-D147 PolarHBondContact NZ-OD2 3.22Å
55C95.3Very high97Very high123 Ų12352.1 Ų52.183%0.83125%0.252SS*.SBendtrans-80.167.2177.2-165.20000110.1Y53Y53-C55 HydrophobicContact CE1-CB 4.33Å
56K94.3Very high97.1Very high54 Ų5450.1 Ų50.124%0.23524%0.239CC..SBendtrans-136.7160.4176.965.8173.2-176.4164.40110K54 Y59 A141 N145 T148K54-K56 HydrophobicContact CB-CD 4.47Å; K54-K56 HydrophobicContact CB-CG 4.11Å; K54-K56 PolarHBondContact O-N 2.95Å; K56-Y59 HydrophobicContact CD-CE2 4.41Å; K56-Y59 VanDerWaalsContact CE-CE2 3.44Å; K56-Y59 HydrophobicContact CG-CD2 3.85Å; K56-Y59 HydrophobicContact CG-CE2 4.07Å; K56-Y59 PolarHBondContact O-N 3.31Å; K56-A141 PolarHBondContact NZ-O 3.04Å; K56-N145 VanDerWaalsContact NZ-CB 3.29Å; K56-N145 PolarHBondContact NZ-ND2 3Å; K56-T148 PolarHBondContact NZ-OG1 3.39Å
57Q96.3Very high97.1Very high141 Ų14157.7 Ų57.766%0.65927%0.267SS*.THydrogen-bonded Turntrans-57.8146.5177.1-64.1174.9-26.500111.8H139Q57-H139 WeakPolarHBondContact CB-CE1 3.32Å; Q57-H139 PolarHBondContact OE1-CE1 3.13Å
58G96.3Very high97.1Very high10 Ų1059.6 Ų59.610%0.10327%0.272CS..THydrogen-bonded Turntrans88.1-5.9-174.300000114.8I135 D136G58-I135 CarbonylContact O-C 3.56Å; G58-I135 WeakPolarHBondContact O-CA 3.31Å; G58-D136 PolarHBondContact O-N 3.41Å
59Y97.9Very high97Very high22 Ų2262.6 Ų62.69%0.08630%0.303CS..EExtended strand (participates in β ladder)trans-94.5133.9165.3-81.2-100.5000110.7G52 Y53 K54 K56 L116 I133 I135 I142 T148G52-Y59 WeakPolarHBondContact O-CE1 3.34Å; G52-Y59 PolarHBondContact O-OH 2.68Å; Y53-Y59 AromaticContact CD2-CD1 3.76Å; Y53-Y59 HydrophobicContact CD2-CD1 3.76Å; Y53-Y59 HydrophobicContact CD2-CG 4.25Å; Y53-Y59 HydrophobicContact CE2-CD1 4.36Å; Y53-Y59 HydrophobicContact CE2-CG 4.43Å; Y53-Y59 HydrophobicContact CG-CD1 4.48Å; K54-Y59 HydrophobicContact CB-CE2 4.19Å; K56-Y59 HydrophobicContact CD-CE2 4.41Å; K56-Y59 VanDerWaalsContact CE-CE2 3.44Å; K56-Y59 HydrophobicContact CG-CD2 3.85Å; K56-Y59 HydrophobicContact CG-CE2 4.07Å; K56-Y59 PolarHBondContact O-N 3.31Å; Y59-L116 HydrophobicContact CE1-CD2 4.02Å; Y59-I133 HydrophobicContact CD1-CG2 3.94Å; Y59-I133 HydrophobicContact CE1-CG2 4.29Å; Y59-I135 HydrophobicContact CD1-CG1 4.09Å; Y59-I135 HydrophobicContact CE1-CD1 3.88Å; Y59-I135 HydrophobicContact CE1-CG1 3.92Å; Y59-I142 HydrophobicContact CD2-CD1 3.71Å; Y59-I142 HydrophobicContact CE2-CD1 3.55Å; Y59-T148 HydrophobicContact CE2-CG2 4.27Å; Y59-T148 WeakPolarHBondContact OH-CG2 3.16Å
60V97.7Very high96.8Very high23 Ų2357.4 Ų57.414%0.13930%0.297CS..EExtended strand (participates in β ladder)trans-133.7147.1178-169.50000109.3R38 Y62 L113 L134R38-V60 HydrophobicContact CG-CG1 4.08Å; V60-Y62 HydrophobicContact CG1-CD2 3.88Å; V60-Y62 HydrophobicContact CG1-CE2 3.65Å; V60-L113 HydrophobicContact CB-CD1 4.43Å; V60-L113 HydrophobicContact CG2-CD1 4.45Å; V60-L134 HydrophobicContact CB-CB 4.49Å; V60-L134 PolarHBondContact N-O 2.74Å; V60-L134 PolarHBondContact O-N 3.37Å
61I98.3Very high96.6Very high6 Ų656 Ų563%0.03129%0.291CS..EExtended strand (participates in β ladder)trans-118.9129.4175.4-60.1178000108.4A39 P42 Y53 E131 V132A39-I61 HydrophobicContact CB-CB 4.4Å; A39-I61 HydrophobicContact CB-CG2 4.04Å; A39-I61 PolarHBondContact N-O 3.47Å; P42-I61 HydrophobicContact CB-CD1 3.44Å; P42-I61 VanDerWaalsContact CB-CD1 3.44Å; P42-I61 HydrophobicContact CG-CD1 3.93Å; Y53-I61 HydrophobicContact CD2-CD1 4.03Å; Y53-I61 HydrophobicContact CD2-CG1 4.24Å; Y53-I61 HydrophobicContact CE2-CD1 3.75Å; Y53-I61 HydrophobicContact CE2-CG1 4Å; I61-E131 HydrophobicContact CG2-CB 3.84Å; I61-E131 HydrophobicContact CG2-CG 3.93Å; I61-V132 WeakPolarHBondContact CA-O 3.2Å
62Y98.4Very high96.5Very high42 Ų4260.1 Ų60.117%0.16531%0.307CS..EExtended strand (participates in β ladder)trans-113.8138170-87.6-103.3000109.6L36 H37 R38 V60 C110 E131 V132 L134L36-Y62 HydrophobicContact CD2-CD1 3.47Å; L36-Y62 VanDerWaalsContact CD2-CD1 3.47Å; L36-Y62 HydrophobicContact CD2-CE1 3.71Å; L36-Y62 HydrophobicContact CG-CD1 4.23Å; H37-Y62 CarbonylContact O-C 3.59Å; H37-Y62 WeakPolarHBondContact O-CA 3.37Å; H37-Y62 WeakPolarHBondContact O-CD1 3.4Å; R38-Y62 HydrophobicContact CB-CD1 4.45Å; R38-Y62 HydrophobicContact CB-CE1 4.06Å; R38-Y62 HydrophobicContact CB-CE2 4.28Å; R38-Y62 HydrophobicContact CG-CE2 4.25Å; V60-Y62 HydrophobicContact CG1-CD2 3.88Å; V60-Y62 HydrophobicContact CG1-CE2 3.65Å; Y62-C110 VanDerWaalsContact CE2-SG 3.54Å; Y62-E131 CarbonylContact O-C 3.52Å; Y62-E131 WeakPolarHBondContact O-CA 3.24Å; Y62-V132 PolarHBondContact N-O 3.16Å; Y62-V132 PolarHBondContact O-N 3.13Å; Y62-L134 HydrophobicContact CD2-CD1 3.34Å; Y62-L134 HydrophobicContact CE2-CD1 4.15Å; Y62-L134 HydrophobicContact CG-CD1 3.85Å
63R98.5Very high96.5Very high21 Ų2162.3 Ų62.38%0.07931%0.305CS..EExtended strand (participates in β ladder)trans-99.1131.2172-166.2175.3-60.8130.9-7.9108.9Y30 L36 H37 T43 F130 E131Y30-R63 VanDerWaalsContact CZ-CZ 3.45Å; Y30-R63 PolarHBondContact OH-NH2 2.9Å; L36-R63 WeakPolarHBondContact CA-O 3.37Å; H37-R63 PolarHBondContact N-O 3.49Å; H37-R63 PolarHBondContact NE2-NH1 3.02Å; H37-R63 PolarHBondContact O-N 3Å; T43-R63 PolarHBondContact OG1-NH2 2.87Å; R63-F130 CarbonylContact C-O 3.5Å; R63-F130 WeakPolarHBondContact CA-O 3.47Å; R63-E131 HydrophobicContact CB-CG 4.23Å; R63-E131 HydrophobicContact CG-CG 4.15Å; R63-E131 IonicContact CZ-OE1 2.65Å; R63-E131 VanDerWaalsContact CZ-OE1 3.3Å; R63-E131 IonicContact NE-OE1 3.3Å; R63-E131 PolarHBondContact NE-OE1 3.02Å; R63-E131 IonicContact NH2-OE1 3Å; R63-E131 PolarHBondContact NH2-OE1 3.17Å
64V98.5Very high96.4Very high0 Ų066.8 Ų66.80%034%0.339CS..EExtended strand (participates in β ladder)trans-127.9130.5-177.2-175.10000109G35 L36 V66 A102 R105 A106 F130 V132G35-V64 WeakPolarHBondContact O-CA 3.48Å; L36-V64 HydrophobicContact CD1-CG2 4.18Å; L36-V64 HydrophobicContact CG-CG2 4.11Å; V64-V66 HydrophobicContact CG1-CG2 4.21Å; V64-A102 HydrophobicContact CB-CB 4.15Å; V64-A102 HydrophobicContact CG1-CB 4.1Å; V64-R105 HydrophobicContact CG1-CB 4.11Å; V64-A106 HydrophobicContact CG2-CB 4.08Å; V64-F130 PolarHBondContact N-O 3.35Å; V64-F130 PolarHBondContact O-N 3.12Å; V64-V132 HydrophobicContact CG2-CG2 4.18Å
65R98.2Very high96.4Very high65 Ų6564.6 Ų64.625%0.24533%0.332CS..EExtended strand (participates in β ladder)trans-96.3136.2168.481.3-169.5179.6-172.72.1110.7R31 L33 G35 R105 Y127 K128 F129R31-R65 PolarHBondContact O-NH1 3.48Å; L33-R65 PolarHBondContact O-NH1 3.06Å; G35-R65 PolarHBondContact O-N 2.76Å; R65-R105 PolarHBondContact O-NH1 3.21Å; R65-Y127 HydrophobicContact CB-CD1 4.35Å; R65-Y127 HydrophobicContact CG-CD1 4.07Å; R65-Y127 HydrophobicContact CG-CE1 4.35Å; R65-K128 WeakPolarHBondContact CA-O 3.26Å; R65-F129 HydrophobicContact CB-CD1 3.57Å; R65-F129 HydrophobicContact CB-CE1 3.54Å
66V98.1Very high96.4Very high3 Ų363.9 Ų63.92%0.01833%0.326CS..EExtended strand (participates in β ladder)trans-127.2130.7176.6-172.80000108.8V64 R68 L98 T101 A102 Y127 K128 F130V64-V66 HydrophobicContact CG1-CG2 4.21Å; V66-R68 PolarHBondContact O-N 3.47Å; V66-L98 HydrophobicContact CG1-CB 4.33Å; V66-L98 HydrophobicContact CG1-CD2 3.81Å; V66-T101 HydrophobicContact CG1-CG2 4.13Å; V66-A102 HydrophobicContact CG2-CB 3.69Å; V66-Y127 CarbonylContact O-C 3.52Å; V66-Y127 WeakPolarHBondContact O-CA 3.5Å; V66-K128 PolarHBondContact N-O 3.07Å; V66-K128 PolarHBondContact O-N 3.42Å; V66-F130 HydrophobicContact CG2-CD2 4.36Å
67R97.4Very high96.5Very high168 Ų16871.9 Ų71.963%0.63436%0.361SS*.EExtended strand (participates in β ladder)trans-62.9135.4178.7-166.5168176.5146.6-2.8109.9T126 Y127R67-T126 CarbonylContact C-O 3.51Å; R67-T126 WeakPolarHBondContact CA-O 3.34Å; R67-T126 HydrophobicContact CG-CG2 4.44Å; R67-Y127 HydrophobicContact CB-CD1 4.24Å; R67-Y127 HydrophobicContact CB-CE1 4.08Å; R67-Y127 HydrophobicContact CG-CE1 4.41Å
68R97Very high96.4Very high98 Ų9866.6 Ų66.637%0.3734%0.343SS..  trans-73.4161.9175.4-74.3176.865.9170.20.7110.7V66 E123 D124 T126 K128V66-R68 PolarHBondContact O-N 3.47Å; R68-E123 IonicContact NH1-OE1 3.99Å; R68-D124 WeakPolarHBondContact CD-O 3.33Å; R68-D124 PolarHBondContact NH1-O 2.87Å; R68-T126 WeakPolarHBondContact CB-O 3.29Å; R68-T126 PolarHBondContact N-O 2.85Å; R68-K128 HydrophobicContact CG-CD 4.49Å; R68-K128 HydrophobicContact CG-CG 3.64Å
69G94.4Very high96.3Very high63 Ų6367.6 Ų67.665%0.64935%0.351SS*.SBendtrans102.5-176.8175.200000113.9
70G93.4Very high96.2Very high42 Ų4268 Ų6843%0.43336%0.356SS..  trans-76.2-178.517300000112
71R92.8Very high96Very high107 Ų10777.3 Ų77.340%0.40439%0.39SS..  trans-118.6118.6171.1-69.5-173.3-178.1-175.61.6107.9I92 F94R71-I92 PolarHBondContact N-O 2.86Å; R71-F94 HydrophobicContact CG-CB 4.37Å
72K94.2Very high95.8Very high129 Ų12979.1 Ų79.156%0.56141%0.41SS*.  trans-58.8141.7170.2-169.2-175.7177.4179.90108.8V89K72-V89 WeakPolarHBondContact CA-O 3.38Å; K72-V89 HydrophobicContact CD-CG1 4.03Å; K72-V89 HydrophobicContact CG-CG1 3.51Å
73R95.4Very high95.8Very high79 Ų7984.7 Ų84.730%0.29844%0.435SS..  trans-60.8129.8169.4-171.2-178.3-67.3-172.79.4109.2V75 H86 G88 V89 I92R73-V75 VanDerWaalsContact C-N 3.26Å; R73-V75 HydrophobicContact CB-CG2 4.32Å; R73-V75 HydrophobicContact CG-CG1 4Å; R73-V75 HydrophobicContact CG-CG2 4.27Å; R73-V75 PolarHBondContact O-N 2.98Å; R73-H86 PolarHBondContact NH1-O 3.3Å; R73-H86 PolarHBondContact NH2-O 3.47Å; R73-H86 VanDerWaalsContact NH2-O 3.1Å; R73-G88 PolarHBondContact NE-O 3.23Å; R73-G88 PolarHBondContact NH2-O 3.48Å; R73-V89 HydrophobicContact CB-CG1 4.31Å; R73-V89 PolarHBondContact N-O 2.9Å; R73-I92 HydrophobicContact CB-CD1 3.94Å
74P95.5Very high95.7Very high129 Ų12989 Ų8984%0.83847%0.466SS*.  trans-77.977.9179.532.7-34.8000109.9
75V96.5Very high95.6Very high32 Ų3294.6 Ų94.619%0.19450%0.5CS..  trans-122.6133175.3-76.50000110.7R73 K77 G78 T80 V89R73-V75 VanDerWaalsContact C-N 3.26Å; R73-V75 HydrophobicContact CB-CG2 4.32Å; R73-V75 HydrophobicContact CG-CG1 4Å; R73-V75 HydrophobicContact CG-CG2 4.27Å; R73-V75 PolarHBondContact O-N 2.98Å; V75-K77 PolarHBondContact O-N 3.37Å; V75-G78 PolarHBondContact O-N 3.01Å; V75-T80 HydrophobicContact CG1-CG2 4.24Å; V75-T80 HydrophobicContact CG2-CG2 4.26Å; V75-V89 HydrophobicContact CG2-CG1 4.19Å; V75-V89 HydrophobicContact CG2-CG2 3.79Å
76P95.9Very high95.5Very high108 Ų10896.5 Ų96.570%0.70151%0.511SS*.G310 helixtrans-57.8130.3173.9-22.733.6000110.7G78 A79P76-G78 PolarHBondContact O-N 3.33Å; P76-A79 PolarHBondContact O-N 3.41Å
77K95.3Very high95.4Very high222 Ų222101 Ų10197%0.96553%0.532SS*.G310 helixtrans52.814.3177.7-57-177.9-180-179.60115.9V75 A79V75-K77 PolarHBondContact O-N 3.37Å; K77-A79 VanDerWaalsContact C-N 3.29Å
78G94.1Very high95.3Very high29 Ų2995 Ų9530%0.29952%0.523SS..G310 helixtrans80.23.7-175.200000115V75 P76 T80V75-G78 PolarHBondContact O-N 3.01Å; P76-G78 PolarHBondContact O-N 3.33Å; G78-T80 PolarHBondContact O-N 2.88Å
79A95.4Very high95.2Very high32 Ų3291.1 Ų91.126%0.26451%0.51SS..  trans-80.1115.3-176.400000111.6P76 K77 Y81P76-A79 PolarHBondContact O-N 3.41Å; K77-A79 VanDerWaalsContact C-N 3.29Å; A79-Y81 HydrophobicContact CB-CD2 4.31Å; A79-Y81 HydrophobicContact CB-CE1 4.11Å; A79-Y81 HydrophobicContact CB-CE2 3.64Å
80T94.4Very high95.3Very high30 Ų3094 Ų9418%0.18451%0.51CS..  trans-104.3-12.7-179.2580000114.5V75 G78 G82 H87 V89V75-T80 HydrophobicContact CG1-CG2 4.24Å; V75-T80 HydrophobicContact CG2-CG2 4.26Å; G78-T80 PolarHBondContact O-N 2.88Å; T80-G82 PolarHBondContact O-N 3.48Å; T80-H87 WeakPolarHBondContact OG1-CA 3.41Å; T80-H87 PolarHBondContact OG1-CD2 3.43Å; T80-V89 HydrophobicContact CG2-CG2 4.26Å
81Y93.6Very high95.3Very high218 Ų218100.4 Ų100.486%0.85553%0.529SS*.  trans45.264.1177.4-51.5-72.7000114.5A79A79-Y81 HydrophobicContact CB-CD2 4.31Å; A79-Y81 HydrophobicContact CB-CE1 4.11Å; A79-Y81 HydrophobicContact CB-CE2 3.64Å
82G95Very high95.4Very high44 Ų4498.2 Ų98.245%0.45453%0.525SS..SBendtrans-166.6-165.2-179.300000113.2T80 H87T80-G82 PolarHBondContact O-N 3.48Å; G82-H87 PolarHBondContact O-NE2 3.13Å
83K97.4Very high95.4Very high160 Ų16099.6 Ų99.670%0.69653%0.531SS*.  trans-59.9146177.6-62.4-175179.2-174.80111.2V85 H86 H87K83-V85 HydrophobicContact CB-CG1 4.13Å; K83-V85 PolarHBondContact O-N 2.98Å; K83-H86 PolarHBondContact O-N 3.07Å; K83-H87 PolarHBondContact O-CD2 3.44Å; K83-H87 VanDerWaalsContact O-CD2 3.32Å
84P96.9Very high95.4Very high110 Ų11099.3 Ų99.371%0.71453%0.532SS*.G310 helixtrans-51.7-34.5-177.5-30.936.3000115.1H86 H87P84-H86 PolarHBondContact O-N 3.07Å; P84-H87 WeakPolarHBondContact O-CB 3.46Å; P84-H87 PolarHBondContact O-N 2.93Å
85V96.9Very high95.3Very high118 Ų11897.5 Ų97.572%0.71553%0.527SS*.G310 helixtrans-56.5-24.1175.967.90000113.6K83K83-V85 HydrophobicContact CB-CG1 4.13Å; K83-V85 PolarHBondContact O-N 2.98Å
86H95.7Very high95.3Very high105 Ų105100 Ų10049%0.48653%0.533SS..G310 helixtrans-97.60.3-179.8-60.3-50.1000114R73 K83 P84 G88R73-H86 PolarHBondContact NH1-O 3.3Å; R73-H86 PolarHBondContact NH2-O 3.47Å; R73-H86 VanDerWaalsContact NH2-O 3.1Å; K83-H86 PolarHBondContact O-N 3.07Å; P84-H86 PolarHBondContact O-N 3.07Å; H86-G88 VanDerWaalsContact C-N 3.27Å; H86-G88 PolarHBondContact O-N 3.05Å
87H95.6Very high95.3Very high97 Ų9797 Ų9745%0.44952%0.515SS..  trans-75.8-8-176.9-69.8-168.4000114.3T80 G82 K83 P84 V89T80-H87 WeakPolarHBondContact OG1-CA 3.41Å; T80-H87 PolarHBondContact OG1-CD2 3.43Å; G82-H87 PolarHBondContact O-NE2 3.13Å; K83-H87 PolarHBondContact O-CD2 3.44Å; K83-H87 VanDerWaalsContact O-CD2 3.32Å; P84-H87 WeakPolarHBondContact O-CB 3.46Å; P84-H87 PolarHBondContact O-N 2.93Å; H87-V89 WeakPolarHBondContact O-CG2 3.46Å; H87-V89 PolarHBondContact O-N 2.93Å
88G95.7Very high95.4Very high43 Ų4388.4 Ų88.444%0.44348%0.48SS..  trans-62.9125.7178.100000113.3R73 H86 I92R73-G88 PolarHBondContact NE-O 3.23Å; R73-G88 PolarHBondContact NH2-O 3.48Å; H86-G88 VanDerWaalsContact C-N 3.27Å; H86-G88 PolarHBondContact O-N 3.05Å; G88-I92 WeakPolarHBondContact O-CD1 3.45Å
89V95.9Very high95.6Very high17 Ų1789.2 Ų89.210%0.10348%0.476CS..  trans-118.2-46.7-177.6175.50000113.6K72 R73 V75 T80 H87K72-V89 WeakPolarHBondContact CA-O 3.38Å; K72-V89 HydrophobicContact CD-CG1 4.03Å; K72-V89 HydrophobicContact CG-CG1 3.51Å; R73-V89 HydrophobicContact CB-CG1 4.31Å; R73-V89 PolarHBondContact N-O 2.9Å; V75-V89 HydrophobicContact CG2-CG1 4.19Å; V75-V89 HydrophobicContact CG2-CG2 3.79Å; T80-V89 HydrophobicContact CG2-CG2 4.26Å; H87-V89 WeakPolarHBondContact O-CG2 3.46Å; H87-V89 PolarHBondContact O-N 2.93Å
90N94.7Very high95.7Very high122 Ų12287.8 Ų87.865%0.65246%0.463SS*.SBendtrans-88-40.8-164.8-67.6-24.2000114.6I92N90-I92 VanDerWaalsContact C-N 3.3Å; N90-I92 PolarHBondContact O-N 2.7Å
91Q94.9Very high95.9Very high177 Ų17786.6 Ų86.683%0.82746%0.456SS*.SBendtrans-89.211.5-170.1-63.2-175.21.400114.3
92I94.7Very high96.1Very high62 Ų6276.2 Ų76.232%0.31842%0.416SS..PPolyproline II helixtrans-69.3133.8-179.2-64.4165.3000111R71 R73 G88 N90R71-I92 PolarHBondContact N-O 2.86Å; R73-I92 HydrophobicContact CB-CD1 3.94Å; G88-I92 WeakPolarHBondContact O-CD1 3.45Å; N90-I92 VanDerWaalsContact C-N 3.3Å; N90-I92 PolarHBondContact O-N 2.7Å
93K94.9Very high96.3Very high158 Ų15874.1 Ų74.169%0.68739%0.394SS*.PPolyproline II helixtrans-101141.1174.3-51.5-54.8178.5-173.90110
94F94.8Very high96.3Very high73 Ų7367 Ų6732%0.3236%0.363SS..PPolyproline II helixtrans-73.4136.3177-169-128.4000110.5R71 R96R71-F94 HydrophobicContact CG-CB 4.37Å; F94-R96 HydrophobicContact CD1-CB 4.04Å; F94-R96 VanDerWaalsContact CD1-O 3.31Å; F94-R96 WeakPolarHBondContact CD1-O 3.38Å; F94-R96 HydrophobicContact CE1-CB 3.71Å; F94-R96 HydrophobicContact CE1-CG 4.32Å; F94-R96 HydrophobicContact CZ-CB 4.44Å; F94-R96 VanDerWaalsContact CZ-NE 3.32Å; F94-R96 PolarHBondContact O-N 2.81Å
95A93.4Very high96.4Very high90 Ų9067.1 Ų67.174%0.74435%0.349SS*.SBendtrans-64.1-27.1-175.800000113.9S171A95-S171 WeakPolarHBondContact O-CB 3.34Å
96R95.2Very high96.4Very high84 Ų8461.5 Ų61.532%0.31732%0.315SS..SBendtrans-102.3152.7-179.1-57.8177.8-62.3173.418.1110.8F94 E104F94-R96 HydrophobicContact CD1-CB 4.04Å; F94-R96 VanDerWaalsContact CD1-O 3.31Å; F94-R96 WeakPolarHBondContact CD1-O 3.38Å; F94-R96 HydrophobicContact CE1-CB 3.71Å; F94-R96 HydrophobicContact CE1-CG 4.32Å; F94-R96 HydrophobicContact CZ-CB 4.44Å; F94-R96 VanDerWaalsContact CZ-NE 3.32Å; F94-R96 PolarHBondContact O-N 2.81Å; R96-E104 VanDerWaalsContact CZ-CD 3.45Å; R96-E104 IonicContact CZ-OE1 2.75Å; R96-E104 IonicContact CZ-OE2 2.71Å; R96-E104 IonicContact NE-OE1 2.68Å; R96-E104 IonicContact NH1-OE1 3.93Å; R96-E104 PolarHBondContact NH1-OE1 3.21Å; R96-E104 IonicContact NH1-OE2 3.02Å; R96-E104 PolarHBondContact NH1-OE2 3.35Å; R96-E104 IonicContact NH2-OE1 3.6Å; R96-E104 PolarHBondContact NH2-OE1 2.53Å; R96-E104 IonicContact NH2-OE2 3.83Å; R96-E104 PolarHBondContact NH2-OE2 3.25Å
97S96.4Very high96.5Very high46 Ų4656.5 Ų56.532%0.32229%0.292SS..  trans-67.3155.2177.367.80000112.4Q99 S100 T101S97-Q99 PolarHBondContact O-N 2.99Å; S97-S100 WeakPolarHBondContact O-CB 3.31Å; S97-S100 PolarHBondContact O-N 3.03Å; S97-S100 WeakPolarHBondContact OG-CB 3.41Å; S97-S100 PolarHBondContact OG-N 2.58Å; S97-S100 VanDerWaalsContact OG-N 3.07Å; S97-T101 PolarHBondContact O-N 2.85Å; S97-T101 PolarHBondContact O-OG1 3.16Å
98L97.9Very high96.6Very high42 Ų4260.2 Ų60.222%0.2230%0.302CS..Hα-helixtrans-59.9-32.7171.7-64.3175.7000111.6V66 T101 A102 K128 F130V66-L98 HydrophobicContact CG1-CB 4.33Å; V66-L98 HydrophobicContact CG1-CD2 3.81Å; L98-T101 WeakPolarHBondContact O-CB 3.47Å; L98-T101 PolarHBondContact O-N 3.31Å; L98-A102 PolarHBondContact O-N 3.27Å; L98-K128 HydrophobicContact CD1-CD 3.92Å; L98-K128 HydrophobicContact CD1-CG 4.33Å; L98-F130 HydrophobicContact CB-CE2 4.14Å; L98-F130 HydrophobicContact CB-CZ 4.27Å
99Q98.2Very high96.7Very high46 Ų4664.2 Ų64.222%0.21531%0.309CS..Hα-helixtrans-64.6-44.7175.2-173.1177.54.900111.9S97 T101 A102 E103 S118 F130 A167S97-Q99 PolarHBondContact O-N 2.99Å; Q99-T101 VanDerWaalsContact C-N 3.27Å; Q99-T101 PolarHBondContact O-N 2.9Å; Q99-A102 WeakPolarHBondContact O-CB 3.44Å; Q99-A102 PolarHBondContact O-N 3.47Å; Q99-A102 VanDerWaalsContact O-N 3.13Å; Q99-E103 PolarHBondContact O-N 3.37Å; Q99-S118 WeakPolarHBondContact CG-OG 3.41Å; Q99-S118 VanDerWaalsContact NE2-C 3.27Å; Q99-S118 PolarHBondContact NE2-O 3.42Å; Q99-S118 PolarHBondContact NE2-OG 3.3Å; Q99-F130 HydrophobicContact CB-CD1 4.08Å; Q99-F130 HydrophobicContact CB-CE1 3.67Å; Q99-F130 HydrophobicContact CB-CZ 3.97Å; Q99-F130 HydrophobicContact CG-CD1 3.85Å; Q99-F130 HydrophobicContact CG-CE1 3.91Å; Q99-A167 HydrophobicContact CB-CB 4.1Å; Q99-A167 HydrophobicContact CG-CB 3.75Å
100S98Very high96.7Very high1 Ų164 Ų641%0.00731%0.308CS..Hα-helixtrans-61.2-38.7172.9-171.60000111.3S97 A102 E103 E104S97-S100 WeakPolarHBondContact O-CB 3.31Å; S97-S100 PolarHBondContact O-N 3.03Å; S97-S100 WeakPolarHBondContact OG-CB 3.41Å; S97-S100 PolarHBondContact OG-N 2.58Å; S97-S100 VanDerWaalsContact OG-N 3.07Å; S100-A102 VanDerWaalsContact C-N 3.3Å; S100-A102 PolarHBondContact O-N 3.1Å; S100-E103 PolarHBondContact O-N 3.37Å; S100-E104 WeakPolarHBondContact O-CG 3.36Å; S100-E104 PolarHBondContact O-N 3.4Å; S100-E104 PolarHBondContact OG-OE1 3.15Å
101T97.9Very high96.7Very high6 Ų660 Ų604%0.03730%0.296CS..Hα-helixtrans-63.5-37.4175.2-57.70000111.7V66 S97 L98 Q99 E104 R105V66-T101 HydrophobicContact CG1-CG2 4.13Å; S97-T101 PolarHBondContact O-N 2.85Å; S97-T101 PolarHBondContact O-OG1 3.16Å; L98-T101 WeakPolarHBondContact O-CB 3.47Å; L98-T101 PolarHBondContact O-N 3.31Å; Q99-T101 VanDerWaalsContact C-N 3.27Å; Q99-T101 PolarHBondContact O-N 2.9Å; T101-E104 PolarHBondContact O-N 2.86Å; T101-R105 WeakPolarHBondContact O-CG 3.42Å; T101-R105 PolarHBondContact O-N 2.88Å
102A98.4Very high96.7Very high0 Ų053.7 Ų53.70%028%0.279CS..Hα-helixtrans-65-44.2175.300000111.7V64 V66 L98 Q99 S100 E104 R105 A106 F130V64-A102 HydrophobicContact CB-CB 4.15Å; V64-A102 HydrophobicContact CG1-CB 4.1Å; V66-A102 HydrophobicContact CG2-CB 3.69Å; L98-A102 PolarHBondContact O-N 3.27Å; Q99-A102 WeakPolarHBondContact O-CB 3.44Å; Q99-A102 PolarHBondContact O-N 3.47Å; Q99-A102 VanDerWaalsContact O-N 3.13Å; S100-A102 VanDerWaalsContact C-N 3.3Å; S100-A102 PolarHBondContact O-N 3.1Å; A102-E104 VanDerWaalsContact C-N 3.34Å; A102-E104 PolarHBondContact O-N 3.19Å; A102-R105 PolarHBondContact O-N 3.21Å; A102-A106 PolarHBondContact O-N 3.38Å; A102-F130 HydrophobicContact CB-CB 3.92Å; A102-F130 HydrophobicContact CB-CD2 3.66Å; A102-F130 HydrophobicContact CB-CG 4.02Å
103E98.6Very high96.8Very high0 Ų052.2 Ų52.20%027%0.272CS..Hα-helixtrans-59.2-44.2175.3-70.5175.4172.100111.7Q99 S100 A106 G107 V115 S118 V132 E160 T165Q99-E103 PolarHBondContact O-N 3.37Å; S100-E103 PolarHBondContact O-N 3.37Å; E103-A106 PolarHBondContact O-N 3.34Å; E103-G107 PolarHBondContact O-N 2.9Å; E103-V115 HydrophobicContact CB-CG1 4.18Å; E103-V115 HydrophobicContact CG-CG1 4.09Å; E103-S118 WeakPolarHBondContact CG-OG 3.45Å; E103-S118 WeakPolarHBondContact OE1-CB 3.47Å; E103-S118 PolarHBondContact OE1-OG 3.07Å; E103-V132 HydrophobicContact CG-CG1 4.36Å; E103-V132 HydrophobicContact CG-CG2 4.47Å; E103-E160 HydrophobicContact CB-CB 4.03Å; E103-T165 WeakPolarHBondContact OE2-CB 3.37Å; E103-T165 WeakPolarHBondContact OE2-CG2 3.43Å; E103-T165 PolarHBondContact OE2-OG1 2.85Å
104E98.1Very high97Very high10 Ų1045.9 Ų45.95%0.04724%0.243CC..Hα-helixtrans-64.9-39.6177.4-73.1167.8-137.600112.9R96 S100 T101 A102 G107 R108 E160R96-E104 VanDerWaalsContact CZ-CD 3.45Å; R96-E104 IonicContact CZ-OE1 2.75Å; R96-E104 IonicContact CZ-OE2 2.71Å; R96-E104 IonicContact NE-OE1 2.68Å; R96-E104 IonicContact NH1-OE1 3.93Å; R96-E104 PolarHBondContact NH1-OE1 3.21Å; R96-E104 IonicContact NH1-OE2 3.02Å; R96-E104 PolarHBondContact NH1-OE2 3.35Å; R96-E104 IonicContact NH2-OE1 3.6Å; R96-E104 PolarHBondContact NH2-OE1 2.53Å; R96-E104 IonicContact NH2-OE2 3.83Å; R96-E104 PolarHBondContact NH2-OE2 3.25Å; S100-E104 WeakPolarHBondContact O-CG 3.36Å; S100-E104 PolarHBondContact O-N 3.4Å; S100-E104 PolarHBondContact OG-OE1 3.15Å; T101-E104 PolarHBondContact O-N 2.86Å; A102-E104 VanDerWaalsContact C-N 3.34Å; A102-E104 PolarHBondContact O-N 3.19Å; E104-G107 PolarHBondContact O-N 3.22Å; E104-R108 WeakPolarHBondContact O-CB 3.41Å; E104-R108 VanDerWaalsContact O-CG 3.29Å; E104-R108 WeakPolarHBondContact O-CG 3.39Å; E104-R108 PolarHBondContact O-N 3.08Å; E104-E160 HydrophobicContact CG-CG 4.41Å
105R98.3Very high97.1Very high112 Ų11242.4 Ų42.442%0.42323%0.228SC..Hα-helixtrans-61.9-45.6174.5-74.6175.8178.2-165.3-6.2111.2L36 V64 R65 T101 A102 H109L36-R105 HydrophobicContact CD1-CB 4.42Å; L36-R105 WeakPolarHBondContact CD1-O 3.28Å; V64-R105 HydrophobicContact CG1-CB 4.11Å; R65-R105 PolarHBondContact O-NH1 3.21Å; T101-R105 WeakPolarHBondContact O-CG 3.42Å; T101-R105 PolarHBondContact O-N 2.88Å; A102-R105 PolarHBondContact O-N 3.21Å; R105-H109 PolarHBondContact O-N 2.87Å; R105-H109 VanDerWaalsContact O-N 3.12Å
106A98.1Very high97.3Very high0 Ų039.4 Ų39.40%020%0.199CC..Hα-helixtrans-62.1-47.4175.900000112.3V64 A102 E103 R108 H109 C110 V132 L134V64-A106 HydrophobicContact CG2-CB 4.08Å; A102-A106 PolarHBondContact O-N 3.38Å; E103-A106 PolarHBondContact O-N 3.34Å; A106-R108 VanDerWaalsContact C-N 3.34Å; A106-R108 PolarHBondContact O-N 3.21Å; A106-H109 PolarHBondContact O-N 3.42Å; A106-C110 WeakPolarHBondContact O-CB 3.39Å; A106-C110 PolarHBondContact O-N 2.8Å; A106-V132 HydrophobicContact CB-CB 3.99Å; A106-V132 HydrophobicContact CB-CG1 3.92Å; A106-V132 HydrophobicContact CB-CG2 3.98Å; A106-L134 HydrophobicContact CB-CD1 4.47Å
107G97.5Very high97.5Very high1 Ų135.8 Ų35.81%0.0119%0.187CC..Hα-helixtrans-66-32.2-179.500000113.9E103 E104 C110E103-G107 PolarHBondContact O-N 2.9Å; E104-G107 PolarHBondContact O-N 3.22Å; G107-C110 CarbonylContact O-C 3.55Å
108R97.4Very high97.6Very high174 Ų17433.8 Ų33.866%0.65717%0.174SC*.Hα-helixtrans-69.9-45.5172.6-74.1-180-174.2-179.4-0.5112.2E104 A106 M161E104-R108 WeakPolarHBondContact O-CB 3.41Å; E104-R108 VanDerWaalsContact O-CG 3.29Å; E104-R108 WeakPolarHBondContact O-CG 3.39Å; E104-R108 PolarHBondContact O-N 3.08Å; A106-R108 VanDerWaalsContact C-N 3.34Å; A106-R108 PolarHBondContact O-N 3.21Å; R108-M161 HydrophobicContact CB-CE 4.42Å; R108-M161 HydrophobicContact CG-CE 3.41Å; R108-M161 VanDerWaalsContact CG-CE 3.41Å
109H97.1Very high97.6Very high127 Ų12732 Ų3259%0.58816%0.164SC*.Hα-helixtrans-68.3-40.6179.9-172.777.9000111.7L36 R105 A106 G111L36-H109 HydrophobicContact CD1-CB 3.66Å; L36-H109 HydrophobicContact CD2-CB 4.04Å; L36-H109 WeakPolarHBondContact CD2-CD2 3.14Å; R105-H109 PolarHBondContact O-N 2.87Å; R105-H109 VanDerWaalsContact O-N 3.12Å; A106-H109 PolarHBondContact O-N 3.42Å; H109-G111 PolarHBondContact O-N 3.3Å
110C96.1Very high97.6Very high12 Ų1232.5 Ų32.58%0.08116%0.164CC..THydrogen-bonded Turntrans-101.859.4-179.9-60.20000111.4Y62 A106 G107 G112 L113 L134Y62-C110 VanDerWaalsContact CE2-SG 3.54Å; A106-C110 WeakPolarHBondContact O-CB 3.39Å; A106-C110 PolarHBondContact O-N 2.8Å; G107-C110 CarbonylContact O-C 3.55Å; C110-G112 PolarHBondContact O-N 2.71Å; C110-G112 VanDerWaalsContact O-N 3.14Å; C110-L113 HydrophobicContact CB-CB 4.09Å; C110-L113 HydrophobicContact CB-CD1 3.92Å; C110-L113 HydrophobicContact CB-CG 4.1Å; C110-L113 PolarHBondContact O-N 3.21Å; C110-L134 HydrophobicContact CB-CD1 4.43Å; C110-L134 HydrophobicContact CB-CD2 4.32Å
111G94Very high97.6Very high38 Ų3832.4 Ų32.439%0.39216%0.163SC..THydrogen-bonded Turntrans-57.6-30.5-172.200000115.4H109 L113H109-G111 PolarHBondContact O-N 3.3Å; G111-L113 VanDerWaalsContact C-N 3.35Å
112G95Very high97.5Very high46 Ų4632.1 Ų32.147%0.47416%0.162SC..THydrogen-bonded Turntrans-75.3-18.917600000114.7C110C110-G112 PolarHBondContact O-N 2.71Å; C110-G112 VanDerWaalsContact O-N 3.14Å
113L97.5Very high97.5Very high31 Ų3135.5 Ų35.516%0.16218%0.177CC..EExtended strand (participates in β ladder)trans-93.6166.4-179.7-55.8-176.6000111.4V60 C110 G111 L134 I135 D136V60-L113 HydrophobicContact CB-CD1 4.43Å; V60-L113 HydrophobicContact CG2-CD1 4.45Å; C110-L113 HydrophobicContact CB-CB 4.09Å; C110-L113 HydrophobicContact CB-CD1 3.92Å; C110-L113 HydrophobicContact CB-CG 4.1Å; C110-L113 PolarHBondContact O-N 3.21Å; G111-L113 VanDerWaalsContact C-N 3.35Å; L113-L134 HydrophobicContact CB-CB 4.15Å; L113-L134 HydrophobicContact CB-CD2 3.95Å; L113-L134 HydrophobicContact CD1-CB 3.94Å; L113-L134 HydrophobicContact CD1-CD1 4.4Å; L113-I135 WeakPolarHBondContact CA-O 3.41Å; L113-D136 HydrophobicContact CD2-CB 3.69Å
114R98.3Very high97.4Very high24 Ų2436.5 Ų36.59%0.09118%0.183CC..EExtended strand (participates in β ladder)trans-115.1126.4173.4-63.6-66.2170.7-131.4-10.9110.9L116 L134 I135 T137 I151 K157R114-L116 PolarHBondContact O-N 2.77Å; R114-L134 CarbonylContact O-C 3.57Å; R114-L134 VanDerWaalsContact O-CA 3.32Å; R114-L134 WeakPolarHBondContact O-CA 3.39Å; R114-I135 PolarHBondContact N-O 2.74Å; R114-I135 PolarHBondContact O-N 3.05Å; R114-T137 HydrophobicContact CB-CG2 4.14Å; R114-T137 HydrophobicContact CG-CG2 3.25Å; R114-I151 HydrophobicContact CB-CD1 3.82Å; R114-I151 HydrophobicContact CB-CG1 3.98Å; R114-I151 HydrophobicContact CG-CG1 4.46Å; R114-K157 VanDerWaalsContact CZ-CA 3.48Å
115V98.4Very high97.2Very high1 Ų140.8 Ų40.81%0.00621%0.214CC..EExtended strand (participates in β ladder)trans-66.5122.5171.7177.90000108.9E103 V132 L134 R159 E160 T165E103-V115 HydrophobicContact CB-CG1 4.18Å; E103-V115 HydrophobicContact CG-CG1 4.09Å; V115-V132 HydrophobicContact CG1-CG1 3.78Å; V115-V132 HydrophobicContact CG2-CG1 4.24Å; V115-L134 HydrophobicContact CB-CD2 4.43Å; V115-L134 HydrophobicContact CG2-CD2 3.66Å; V115-R159 WeakPolarHBondContact O-CD 3.17Å; V115-E160 HydrophobicContact CB-CB 4.24Å; V115-E160 HydrophobicContact CB-CG 4.49Å; V115-E160 HydrophobicContact CG1-CB 4.41Å; V115-E160 HydrophobicContact CG2-CB 4.17Å; V115-E160 HydrophobicContact CG2-CG 3.96Å; V115-T165 HydrophobicContact CG1-CG2 3.99Å
116L97.8Very high97.1Very high26 Ų2637.8 Ų37.814%0.13621%0.208CC..EExtended strand (participates in β ladder)trans-87.3-59.3172.3178.669.7000110.3L51 Y59 R114 I133 I135 W150 I151L51-L116 WeakPolarHBondContact O-CD2 3.3Å; Y59-L116 HydrophobicContact CE1-CD2 4.02Å; R114-L116 PolarHBondContact O-N 2.77Å; L116-I133 HydrophobicContact CB-CB 4.35Å; L116-I133 HydrophobicContact CB-CG2 4.14Å; L116-I133 HydrophobicContact CD2-CG2 3.89Å; L116-I133 PolarHBondContact N-O 2.75Å; L116-I135 HydrophobicContact CB-CD1 4.08Å; L116-I135 HydrophobicContact CB-CG1 4.3Å; L116-I135 HydrophobicContact CD1-CD1 4.02Å; L116-I135 HydrophobicContact CD2-CD1 4.06Å; L116-I135 HydrophobicContact CG-CD1 4.27Å; L116-W150 HydrophobicContact CD1-CZ2 4.03Å; L116-I151 HydrophobicContact CB-CD1 4.4Å; L116-I151 HydrophobicContact CD1-CD1 4.07Å
117A98.1Very high97.1Very high8 Ų840.3 Ų40.37%0.06622%0.218CC..EExtended strand (participates in β ladder)trans-163176.5-17500000110L51 I133L51-A117 HydrophobicContact CB-CB 3.94Å; L51-A117 HydrophobicContact CD1-CB 4.4Å; L51-A117 HydrophobicContact CD2-CB 4.36Å; L51-A117 HydrophobicContact CG-CB 4.47Å; A117-I133 HydrophobicContact CB-CD1 4.48Å; A117-I133 PolarHBondContact O-N 3.4Å
118S98.4Very high97.2Very high5 Ų542.8 Ų42.84%0.03523%0.228CC..EExtended strand (participates in β ladder)trans-145.4164.6174.763.30000111.6L51 Q99 E103 E131L51-S118 VanDerWaalsContact CD1-O 3.3Å; L51-S118 WeakPolarHBondContact CD1-O 3.08Å; Q99-S118 WeakPolarHBondContact CG-OG 3.41Å; Q99-S118 VanDerWaalsContact NE2-C 3.27Å; Q99-S118 PolarHBondContact NE2-O 3.42Å; Q99-S118 PolarHBondContact NE2-OG 3.3Å; E103-S118 WeakPolarHBondContact CG-OG 3.45Å; E103-S118 WeakPolarHBondContact OE1-CB 3.47Å; E103-S118 PolarHBondContact OE1-OG 3.07Å; S118-E131 CarbonylContact C-O 3.55Å; S118-E131 WeakPolarHBondContact CA-O 3.31Å; S118-E131 WeakPolarHBondContact CB-O 3.41Å
119Y98.5Very high97.2Very high3 Ų334.6 Ų34.61%0.01220%0.198CC..EExtended strand (participates in β ladder)trans-149.2154.6174.454.8-84.7000112.5P42 R44 K47 A48 L51 V121 F130 E131 I133P42-Y119 VanDerWaalsContact CB-OH 3.24Å; P42-Y119 WeakPolarHBondContact CB-OH 3.28Å; R44-Y119 HydrophobicContact CB-CD2 4.24Å; R44-Y119 HydrophobicContact CB-CE2 3.72Å; R44-Y119 HydrophobicContact CG-CE2 4.25Å; K47-Y119 HydrophobicContact CB-CD2 4.46Å; K47-Y119 HydrophobicContact CG-CD1 4.49Å; K47-Y119 HydrophobicContact CG-CD2 4.13Å; K47-Y119 HydrophobicContact CG-CG 3.87Å; A48-Y119 HydrophobicContact CB-CE1 3.8Å; L51-Y119 HydrophobicContact CD1-CD1 3.75Å; L51-Y119 HydrophobicContact CD1-CG 4.19Å; Y119-V121 HydrophobicContact CD2-CG1 3.69Å; Y119-V121 HydrophobicContact CE2-CG1 3.53Å; Y119-F130 CarbonylContact O-C 3.6Å; Y119-F130 VanDerWaalsContact O-CA 3.28Å; Y119-F130 WeakPolarHBondContact O-CA 3.21Å; Y119-E131 HydrophobicContact CD2-CB 4.35Å; Y119-E131 HydrophobicContact CE1-CB 4.02Å; Y119-E131 HydrophobicContact CE2-CB 3.81Å; Y119-E131 WeakPolarHBondContact CE2-OE2 3.5Å; Y119-E131 PolarHBondContact N-O 3.43Å; Y119-E131 PolarHBondContact O-N 3.07Å; Y119-E131 PolarHBondContact OH-OE2 3.07Å; Y119-I133 HydrophobicContact CD1-CD1 4.24Å; Y119-I133 HydrophobicContact CE1-CD1 3.99Å; Y119-I133 HydrophobicContact CE1-CG1 4.02Å
120W98.3Very high97.3Very high57 Ų5729 Ų2922%0.21617%0.171CC..EExtended strand (participates in β ladder)trans-73.7136.8175.4178.395.9000111W11 K14 L23 R44 G122 E123 F130W11-W120 HydrophobicContact CZ3-CZ3 4.05Å; K14-W120 HydrophobicContact CD-CH2 4.24Å; K14-W120 HydrophobicContact CD-CZ3 4.06Å; L23-W120 HydrophobicContact CD1-CH2 4Å; L23-W120 HydrophobicContact CD2-CH2 4.03Å; L23-W120 HydrophobicContact CD2-CZ3 4.34Å; R44-W120 PolarHBondContact NH1-O 3.15Å; W120-G122 VanDerWaalsContact CE2-C 3.43Å; W120-G122 PolarHBondContact NE1-O 2.99Å; W120-E123 HydrophobicContact CZ2-CB 4.29Å; W120-E123 HydrophobicContact CZ2-CG 3.95Å; W120-E123 PolarHBondContact NE1-OE2 2.92Å; W120-F130 HydrophobicContact CB-CD1 4.18Å; W120-F130 HydrophobicContact CB-CE1 4.06Å
121V97.6Very high97.4Very high0 Ų028.4 Ų28.40%017%0.168CC..EExtended strand (participates in β ladder)trans-122.2-18.8179.1-65.10000114.1L23 Y30 Y119 F129 E131L23-V121 WeakPolarHBondContact CD2-O 3.26Å; Y30-V121 HydrophobicContact CE2-CB 4.5Å; Y30-V121 HydrophobicContact CE2-CG2 3.92Å; Y119-V121 HydrophobicContact CD2-CG1 3.69Å; Y119-V121 HydrophobicContact CE2-CG1 3.53Å; V121-F129 HydrophobicContact CG2-CB 3.7Å; V121-F129 WeakPolarHBondContact CG2-O 3.48Å; V121-F129 PolarHBondContact N-O 3.27Å; V121-F129 VanDerWaalsContact N-O 3.07Å; V121-E131 HydrophobicContact CG1-CB 3.94Å; V121-E131 HydrophobicContact CG1-CG 3.72Å; V121-E131 HydrophobicContact CG2-CG 4.31Å
122G97.1Very high97.7Very high0 Ų026.6 Ų26.60%015%0.149CC..EExtended strand (participates in β ladder)trans177.4162.3179.500000111.4W120 F129W120-G122 VanDerWaalsContact CE2-C 3.43Å; W120-G122 PolarHBondContact NE1-O 2.99Å; G122-F129 PolarHBondContact O-N 3.22Å
123E97.4Very high97.8Very high70 Ų7024.4 Ų24.433%0.32713%0.126SC..EExtended strand (participates in β ladder)trans-149.2152.616769-166.6-145.800111.1C27 R68 W120 Y127 K128C27-E123 PolarHBondContact SG-O 2.98Å; R68-E123 IonicContact NH1-OE1 3.99Å; W120-E123 HydrophobicContact CZ2-CB 4.29Å; W120-E123 HydrophobicContact CZ2-CG 3.95Å; W120-E123 PolarHBondContact NE1-OE2 2.92Å; E123-Y127 WeakPolarHBondContact CA-O 3.4Å; E123-Y127 WeakPolarHBondContact CB-O 3.4Å; E123-K128 HydrophobicContact CB-CB 4.36Å; E123-K128 HydrophobicContact CB-CG 3.85Å; E123-K128 IonicContact OE1-NZ 3.15Å; E123-K128 PolarHBondContact OE1-NZ 3.34Å; E123-K128 WeakPolarHBondContact OE2-CD 3.43Å; E123-K128 WeakPolarHBondContact OE2-CE 3.32Å; E123-K128 IonicContact OE2-NZ 3.48Å; E123-K128 PolarHBondContact OE2-NZ 2.99Å
124D95.9Very high97.9Very high22 Ų2223 Ų2312%0.11812%0.119CC..  trans-125.5-175.7170.864.252.8000108.6R31 R68 T126 Y127 F129R31-D124 IonicContact CZ-OD1 2.76Å; R31-D124 IonicContact CZ-OD2 3Å; R31-D124 IonicContact NE-OD1 2.81Å; R31-D124 IonicContact NE-OD2 2.7Å; R31-D124 PolarHBondContact NE-OD2 3.21Å; R31-D124 IonicContact NH2-OD1 3.67Å; R31-D124 PolarHBondContact NH2-OD1 3.04Å; R31-D124 IonicContact NH2-OD2 3.07Å; R31-D124 PolarHBondContact NH2-OD2 3.03Å; R68-D124 WeakPolarHBondContact CD-O 3.33Å; R68-D124 PolarHBondContact NH1-O 2.87Å; D124-T126 PolarHBondContact O-N 3.49Å; D124-T126 WeakPolarHBondContact OD1-CA 3.45Å; D124-T126 PolarHBondContact OD1-N 2.84Å; D124-Y127 PolarHBondContact N-O 2.87Å; D124-Y127 PolarHBondContact OD1-N 3.23Å; D124-F129 WeakPolarHBondContact OD2-CE2 3.39Å; D124-F129 WeakPolarHBondContact OD2-CZ 3.26Å
125S94.9Very high97.8Very high100 Ų10021.9 Ų21.970%0.69912%0.115SC*.SBendtrans-57.1-34-178.355.80000114.1
126T96.6Very high97.8Very high48 Ų4824 Ų2429%0.29413%0.126SC..SBendtrans-102.5-31.9-171.5-43.10000113.2R31 R67 R68 D124R31-T126 PolarHBondContact NH2-OG1 3.28Å; R67-T126 CarbonylContact C-O 3.51Å; R67-T126 WeakPolarHBondContact CA-O 3.34Å; R67-T126 HydrophobicContact CG-CG2 4.44Å; R68-T126 WeakPolarHBondContact CB-O 3.29Å; R68-T126 PolarHBondContact N-O 2.85Å; D124-T126 PolarHBondContact O-N 3.49Å; D124-T126 WeakPolarHBondContact OD1-CA 3.45Å; D124-T126 PolarHBondContact OD1-N 2.84Å
127Y98.3Very high97.8Very high54 Ų5423.1 Ų23.121%0.21212%0.122CC..EExtended strand (participates in β ladder)trans-130.4149.7-170.4-64.8-75.2000112.6R65 V66 R67 E123 D124R65-Y127 HydrophobicContact CB-CD1 4.35Å; R65-Y127 HydrophobicContact CG-CD1 4.07Å; R65-Y127 HydrophobicContact CG-CE1 4.35Å; V66-Y127 CarbonylContact O-C 3.52Å; V66-Y127 WeakPolarHBondContact O-CA 3.5Å; R67-Y127 HydrophobicContact CB-CD1 4.24Å; R67-Y127 HydrophobicContact CB-CE1 4.08Å; R67-Y127 HydrophobicContact CG-CE1 4.41Å; E123-Y127 WeakPolarHBondContact CA-O 3.4Å; E123-Y127 WeakPolarHBondContact CB-O 3.4Å; D124-Y127 PolarHBondContact N-O 2.87Å; D124-Y127 PolarHBondContact OD1-N 3.23Å
128K98.3Very high97.7Very high53 Ų5330.3 Ų30.323%0.2315%0.152CC..EExtended strand (participates in β ladder)trans-110.2139.7159.5-64.5-164.6-176-128.50109.1R65 V66 R68 L98 E123 F130R65-K128 WeakPolarHBondContact CA-O 3.26Å; V66-K128 PolarHBondContact N-O 3.07Å; V66-K128 PolarHBondContact O-N 3.42Å; R68-K128 HydrophobicContact CG-CD 4.49Å; R68-K128 HydrophobicContact CG-CG 3.64Å; L98-K128 HydrophobicContact CD1-CD 3.92Å; L98-K128 HydrophobicContact CD1-CG 4.33Å; E123-K128 HydrophobicContact CB-CB 4.36Å; E123-K128 HydrophobicContact CB-CG 3.85Å; E123-K128 IonicContact OE1-NZ 3.15Å; E123-K128 PolarHBondContact OE1-NZ 3.34Å; E123-K128 WeakPolarHBondContact OE2-CD 3.43Å; E123-K128 WeakPolarHBondContact OE2-CE 3.32Å; E123-K128 IonicContact OE2-NZ 3.48Å; E123-K128 PolarHBondContact OE2-NZ 2.99Å; K128-F130 HydrophobicContact CB-CD2 4.49Å; K128-F130 HydrophobicContact CB-CE2 3.65Å; K128-F130 HydrophobicContact CB-CZ 3.93Å; K128-F130 HydrophobicContact CD-CZ 4.24Å
129F98.4Very high97.6Very high2 Ų232.6 Ų32.61%0.00916%0.162CC..EExtended strand (participates in β ladder)trans-109131.7179.7-56-85.3000109.8C27 Y30 R31 R65 V121 G122 D124C27-F129 HydrophobicContact CB-CE2 4.32Å; Y30-F129 HydrophobicContact CD2-CB 4.06Å; Y30-F129 HydrophobicContact CD2-CD1 4.09Å; Y30-F129 HydrophobicContact CD2-CD2 4.32Å; Y30-F129 AromaticContact CD2-CG 3.9Å; Y30-F129 HydrophobicContact CD2-CG 3.9Å; Y30-F129 HydrophobicContact CG-CD1 4.32Å; R31-F129 HydrophobicContact CG-CZ 4.08Å; R65-F129 HydrophobicContact CB-CD1 3.57Å; R65-F129 HydrophobicContact CB-CE1 3.54Å; V121-F129 HydrophobicContact CG2-CB 3.7Å; V121-F129 WeakPolarHBondContact CG2-O 3.48Å; V121-F129 PolarHBondContact N-O 3.27Å; V121-F129 VanDerWaalsContact N-O 3.07Å; G122-F129 PolarHBondContact O-N 3.22Å; D124-F129 WeakPolarHBondContact OD2-CE2 3.39Å; D124-F129 WeakPolarHBondContact OD2-CZ 3.26Å
130F98.7Very high97.6Very high9 Ų939.2 Ų39.24%0.03919%0.191CC..EExtended strand (participates in β ladder)trans-126.9143.6177.4-59.7-82.7000110R63 V64 V66 L98 Q99 A102 Y119 W120 K128R63-F130 CarbonylContact C-O 3.5Å; R63-F130 WeakPolarHBondContact CA-O 3.47Å; V64-F130 PolarHBondContact N-O 3.35Å; V64-F130 PolarHBondContact O-N 3.12Å; V66-F130 HydrophobicContact CG2-CD2 4.36Å; L98-F130 HydrophobicContact CB-CE2 4.14Å; L98-F130 HydrophobicContact CB-CZ 4.27Å; Q99-F130 HydrophobicContact CB-CD1 4.08Å; Q99-F130 HydrophobicContact CB-CE1 3.67Å; Q99-F130 HydrophobicContact CB-CZ 3.97Å; Q99-F130 HydrophobicContact CG-CD1 3.85Å; Q99-F130 HydrophobicContact CG-CE1 3.91Å; A102-F130 HydrophobicContact CB-CB 3.92Å; A102-F130 HydrophobicContact CB-CD2 3.66Å; A102-F130 HydrophobicContact CB-CG 4.02Å; Y119-F130 CarbonylContact O-C 3.6Å; Y119-F130 VanDerWaalsContact O-CA 3.28Å; Y119-F130 WeakPolarHBondContact O-CA 3.21Å; W120-F130 HydrophobicContact CB-CD1 4.18Å; W120-F130 HydrophobicContact CB-CE1 4.06Å; K128-F130 HydrophobicContact CB-CD2 4.49Å; K128-F130 HydrophobicContact CB-CE2 3.65Å; K128-F130 HydrophobicContact CB-CZ 3.93Å; K128-F130 HydrophobicContact CD-CZ 4.24Å
131E98.7Very high97.5Very high0 Ų038.3 Ų38.30%020%0.195CC..EExtended strand (participates in β ladder)trans-100.5125.6164.2-80.2177-17700108.7T43 I61 Y62 R63 S118 Y119 V121T43-E131 WeakPolarHBondContact CB-OE1 3.44Å; T43-E131 PolarHBondContact N-OE2 3.32Å; T43-E131 PolarHBondContact OG1-OE1 3.43Å; I61-E131 HydrophobicContact CG2-CB 3.84Å; I61-E131 HydrophobicContact CG2-CG 3.93Å; Y62-E131 CarbonylContact O-C 3.52Å; Y62-E131 WeakPolarHBondContact O-CA 3.24Å; R63-E131 HydrophobicContact CB-CG 4.23Å; R63-E131 HydrophobicContact CG-CG 4.15Å; R63-E131 IonicContact CZ-OE1 2.65Å; R63-E131 VanDerWaalsContact CZ-OE1 3.3Å; R63-E131 IonicContact NE-OE1 3.3Å; R63-E131 PolarHBondContact NE-OE1 3.02Å; R63-E131 IonicContact NH2-OE1 3Å; R63-E131 PolarHBondContact NH2-OE1 3.17Å; S118-E131 CarbonylContact C-O 3.55Å; S118-E131 WeakPolarHBondContact CA-O 3.31Å; S118-E131 WeakPolarHBondContact CB-O 3.41Å; Y119-E131 HydrophobicContact CD2-CB 4.35Å; Y119-E131 HydrophobicContact CE1-CB 4.02Å; Y119-E131 HydrophobicContact CE2-CB 3.81Å; Y119-E131 WeakPolarHBondContact CE2-OE2 3.5Å; Y119-E131 PolarHBondContact N-O 3.43Å; Y119-E131 PolarHBondContact O-N 3.07Å; Y119-E131 PolarHBondContact OH-OE2 3.07Å; V121-E131 HydrophobicContact CG1-CB 3.94Å; V121-E131 HydrophobicContact CG1-CG 3.72Å; V121-E131 HydrophobicContact CG2-CG 4.31Å
132V98.7Very high97.5Very high0 Ų038.3 Ų38.30%020%0.195CC..EExtended strand (participates in β ladder)trans-105.3123.3179.1-1740000107.8I61 Y62 V64 E103 A106 V115 L134I61-V132 WeakPolarHBondContact CA-O 3.2Å; Y62-V132 PolarHBondContact N-O 3.16Å; Y62-V132 PolarHBondContact O-N 3.13Å; V64-V132 HydrophobicContact CG2-CG2 4.18Å; E103-V132 HydrophobicContact CG-CG1 4.36Å; E103-V132 HydrophobicContact CG-CG2 4.47Å; A106-V132 HydrophobicContact CB-CB 3.99Å; A106-V132 HydrophobicContact CB-CG1 3.92Å; A106-V132 HydrophobicContact CB-CG2 3.98Å; V115-V132 HydrophobicContact CG1-CG1 3.78Å; V115-V132 HydrophobicContact CG2-CG1 4.24Å; V132-L134 HydrophobicContact CG1-CG 4.33Å
133I98.5Very high97.4Very high0 Ų044 Ų440%022%0.217CC..EExtended strand (participates in β ladder)trans-85.4120.2175.6-56.4160.3000107.3A48 L51 Y53 Y59 L116 A117 Y119A48-I133 HydrophobicContact CB-CD1 4.42Å; L51-I133 HydrophobicContact CB-CD1 3.87Å; Y53-I133 HydrophobicContact CD2-CG2 4.18Å; Y59-I133 HydrophobicContact CD1-CG2 3.94Å; Y59-I133 HydrophobicContact CE1-CG2 4.29Å; L116-I133 HydrophobicContact CB-CB 4.35Å; L116-I133 HydrophobicContact CB-CG2 4.14Å; L116-I133 HydrophobicContact CD2-CG2 3.89Å; L116-I133 PolarHBondContact N-O 2.75Å; A117-I133 HydrophobicContact CB-CD1 4.48Å; A117-I133 PolarHBondContact O-N 3.4Å; Y119-I133 HydrophobicContact CD1-CD1 4.24Å; Y119-I133 HydrophobicContact CE1-CD1 3.99Å; Y119-I133 HydrophobicContact CE1-CG1 4.02Å
134L98.1Very high97.3Very high0 Ų050.2 Ų50.20%024%0.237CC..EExtended strand (participates in β ladder)trans-115.1149.5178.1-69.6143.3000109.4V60 Y62 A106 C110 L113 R114 V115 V132V60-L134 HydrophobicContact CB-CB 4.49Å; V60-L134 PolarHBondContact N-O 2.74Å; V60-L134 PolarHBondContact O-N 3.37Å; Y62-L134 HydrophobicContact CD2-CD1 3.34Å; Y62-L134 HydrophobicContact CE2-CD1 4.15Å; Y62-L134 HydrophobicContact CG-CD1 3.85Å; A106-L134 HydrophobicContact CB-CD1 4.47Å; C110-L134 HydrophobicContact CB-CD1 4.43Å; C110-L134 HydrophobicContact CB-CD2 4.32Å; L113-L134 HydrophobicContact CB-CB 4.15Å; L113-L134 HydrophobicContact CB-CD2 3.95Å; L113-L134 HydrophobicContact CD1-CB 3.94Å; L113-L134 HydrophobicContact CD1-CD1 4.4Å; R114-L134 CarbonylContact O-C 3.57Å; R114-L134 VanDerWaalsContact O-CA 3.32Å; R114-L134 WeakPolarHBondContact O-CA 3.39Å; V115-L134 HydrophobicContact CB-CD2 4.43Å; V115-L134 HydrophobicContact CG2-CD2 3.66Å; V132-L134 HydrophobicContact CG1-CG 4.33Å
135I97.9Very high97.3Very high2 Ų251 Ų511%0.0124%0.241CC..EExtended strand (participates in β ladder)trans-122131.7177.2-65.7179.8000108.7G58 Y59 L113 R114 L116 I142 I151G58-I135 CarbonylContact O-C 3.56Å; G58-I135 WeakPolarHBondContact O-CA 3.31Å; Y59-I135 HydrophobicContact CD1-CG1 4.09Å; Y59-I135 HydrophobicContact CE1-CD1 3.88Å; Y59-I135 HydrophobicContact CE1-CG1 3.92Å; L113-I135 WeakPolarHBondContact CA-O 3.41Å; R114-I135 PolarHBondContact N-O 2.74Å; R114-I135 PolarHBondContact O-N 3.05Å; L116-I135 HydrophobicContact CB-CD1 4.08Å; L116-I135 HydrophobicContact CB-CG1 4.3Å; L116-I135 HydrophobicContact CD1-CD1 4.02Å; L116-I135 HydrophobicContact CD2-CD1 4.06Å; L116-I135 HydrophobicContact CG-CD1 4.27Å; I135-I142 HydrophobicContact CG2-CB 4.27Å; I135-I142 HydrophobicContact CG2-CD1 3.96Å; I135-I142 HydrophobicContact CG2-CG1 3.85Å; I135-I142 HydrophobicContact CG2-CG2 3.5Å; I135-I151 HydrophobicContact CB-CG2 4.4Å; I135-I151 HydrophobicContact CD1-CD1 4Å; I135-I151 HydrophobicContact CD1-CG2 4.1Å; I135-I151 HydrophobicContact CG2-CG2 3.97Å
136D97.7Very high97.3Very high44 Ų4451.1 Ų51.124%0.23524%0.239CC..EExtended strand (participates in β ladder)trans-78.7115.4167-179.3-1.1000110.1G58 L113 F138 H139 I142G58-D136 PolarHBondContact O-N 3.41Å; L113-D136 HydrophobicContact CD2-CB 3.69Å; D136-F138 VanDerWaalsContact C-N 3.34Å; D136-F138 PolarHBondContact OD1-N 3.19Å; D136-H139 HydrophobicContact CB-CB 4.12Å; D136-I142 WeakPolarHBondContact O-CG1 3.5Å
137T97Very high97.1Very high8 Ų853.6 Ų53.65%0.04925%0.251CS..SBendtrans-79.2-15.1-178.349.80000114.6R114 R143 T152R114-T137 HydrophobicContact CB-CG2 4.14Å; R114-T137 HydrophobicContact CG-CG2 3.25Å; T137-R143 WeakPolarHBondContact O-CD 3.36Å; T137-R143 VanDerWaalsContact O-CG 3.28Å; T137-R143 WeakPolarHBondContact O-CG 3.49Å; T137-T152 HydrophobicContact CG2-CG2 4.11Å
138F96Very high96.9Very high159 Ų15951.3 Ų51.370%0.69724%0.242SC*.SBendtrans-89-21.2178.6-64.4-78.6000111.8D136 K140D136-F138 VanDerWaalsContact C-N 3.34Å; D136-F138 PolarHBondContact OD1-N 3.19Å; F138-K140 PolarHBondContact O-N 3.05Å
139H97.7Very high96.8Very high53 Ų5353.3 Ų53.325%0.24525%0.253CS..  trans-64.2128.1-179.6-157.9-77.4000113.3Q57 D136 A141 I142 R143Q57-H139 WeakPolarHBondContact CB-CE1 3.32Å; Q57-H139 PolarHBondContact OE1-CE1 3.13Å; D136-H139 HydrophobicContact CB-CB 4.12Å; H139-A141 VanDerWaalsContact C-N 3.31Å; H139-A141 WeakPolarHBondContact ND1-CB 3.35Å; H139-A141 PolarHBondContact ND1-N 3Å; H139-A141 PolarHBondContact O-N 3.07Å; H139-I142 HydrophobicContact CB-CG1 4.25Å; H139-I142 WeakPolarHBondContact O-CB 3.41Å; H139-I142 PolarHBondContact O-N 3.31Å; H139-R143 PolarHBondContact O-N 3.41Å; H139-R143 VanDerWaalsContact O-N 3.13Å
140K96.9Very high96.7Very high143 Ų14358.1 Ų58.162%0.62227%0.271SS*.Hα-helixtrans-56.7-40.2-177.8-65.8177.5-177173.90112.8F138 I142 R143 R144F138-K140 PolarHBondContact O-N 3.05Å; K140-I142 PolarHBondContact O-N 2.99Å; K140-I142 VanDerWaalsContact O-N 3.16Å; K140-R143 PolarHBondContact O-N 3.32Å; K140-R144 WeakPolarHBondContact O-CB 3.39Å; K140-R144 WeakPolarHBondContact O-CG 3.47Å; K140-R144 PolarHBondContact O-N 3.19Å
141A96.6Very high96.6Very high37 Ų3757.7 Ų57.731%0.30627%0.269SS..Hα-helixtrans-63.2-17.9177.900000114.8K56 H139 N145K56-A141 PolarHBondContact NZ-O 3.04Å; H139-A141 VanDerWaalsContact C-N 3.31Å; H139-A141 WeakPolarHBondContact ND1-CB 3.35Å; H139-A141 PolarHBondContact ND1-N 3Å; H139-A141 PolarHBondContact O-N 3.07Å; A141-N145 WeakPolarHBondContact O-CB 3.42Å
142I97.4Very high96.5Very high0 Ų059 Ų590%028%0.277CS..Hα-helixtrans-91.4-47.6172.8-59.9-57.9000110Y59 I135 D136 H139 K140 R144 N145 T148 T152Y59-I142 HydrophobicContact CD2-CD1 3.71Å; Y59-I142 HydrophobicContact CE2-CD1 3.55Å; I135-I142 HydrophobicContact CG2-CB 4.27Å; I135-I142 HydrophobicContact CG2-CD1 3.96Å; I135-I142 HydrophobicContact CG2-CG1 3.85Å; I135-I142 HydrophobicContact CG2-CG2 3.5Å; D136-I142 WeakPolarHBondContact O-CG1 3.5Å; H139-I142 HydrophobicContact CB-CG1 4.25Å; H139-I142 WeakPolarHBondContact O-CB 3.41Å; H139-I142 PolarHBondContact O-N 3.31Å; K140-I142 PolarHBondContact O-N 2.99Å; K140-I142 VanDerWaalsContact O-N 3.16Å; I142-R144 PolarHBondContact O-N 3.3Å; I142-N145 PolarHBondContact O-N 3.31Å; I142-T148 PolarHBondContact O-OG1 2.95Å; I142-T152 HydrophobicContact CG2-CG2 3.84Å
143R96.1Very high96.5Very high120 Ų12066.2 Ų66.245%0.45330%0.304SS..Hα-helixtrans-64.7-37-176.5-65.7-17668.186.6-1.7113.7T137 H139 K140 N145 Q149 T152T137-R143 WeakPolarHBondContact O-CD 3.36Å; T137-R143 VanDerWaalsContact O-CG 3.28Å; T137-R143 WeakPolarHBondContact O-CG 3.49Å; H139-R143 PolarHBondContact O-N 3.41Å; H139-R143 VanDerWaalsContact O-N 3.13Å; K140-R143 PolarHBondContact O-N 3.32Å; R143-N145 VanDerWaalsContact C-N 3.34Å; R143-Q149 VanDerWaalsContact O-CG 3.29Å; R143-Q149 WeakPolarHBondContact O-CG 3.33Å; R143-Q149 PolarHBondContact O-NE2 2.84Å; R143-T152 HydrophobicContact CG-CG2 4.27Å
144R95.8Very high96.4Very high200 Ų20071 Ų7176%0.75534%0.335SS*.THydrogen-bonded Turntrans-81.7-12.1179.6-65.7-179.4-179.4174.3-3.5113.6K140 I142K140-R144 WeakPolarHBondContact O-CB 3.39Å; K140-R144 WeakPolarHBondContact O-CG 3.47Å; K140-R144 PolarHBondContact O-N 3.19Å; I142-R144 PolarHBondContact O-N 3.3Å
145N95Very high96.4Very high40 Ų4074.9 Ų74.921%0.21436%0.359CS..  trans-95.7116-175.5179.9-58.9000110.3K56 A141 I142 R143 D147 T148 Q149K56-N145 VanDerWaalsContact NZ-CB 3.29Å; K56-N145 PolarHBondContact NZ-ND2 3Å; A141-N145 WeakPolarHBondContact O-CB 3.42Å; I142-N145 PolarHBondContact O-N 3.31Å; R143-N145 VanDerWaalsContact C-N 3.34Å; N145-D147 VanDerWaalsContact C-N 3.3Å; N145-D147 PolarHBondContact O-N 3.31Å; N145-D147 VanDerWaalsContact OD1-CB 3.3Å; N145-D147 WeakPolarHBondContact OD1-CB 2.98Å; N145-D147 PolarHBondContact OD1-N 2.9Å; N145-T148 WeakPolarHBondContact CB-OG1 3.38Å; N145-T148 PolarHBondContact O-N 3.36Å; N145-T148 VanDerWaalsContact O-N 3.11Å; N145-T148 PolarHBondContact O-OG1 3.3Å; N145-T148 PolarHBondContact OD1-N 3Å; N145-Q149 VanDerWaalsContact O-CB 3.29Å; N145-Q149 WeakPolarHBondContact O-CB 3.19Å; N145-Q149 PolarHBondContact O-N 3.36Å
146P95.1Very high96.3Very high101 Ų10176.5 Ų76.566%0.65637%0.366SS*.Hα-helixtrans-61.6-35.4-172.923.1-33.2000113.1T148P146-T148 PolarHBondContact O-N 2.67Å
147D93.3Very high96.3Very high100 Ų10079.9 Ų79.954%0.53538%0.379SS..Hα-helixtrans-62.8-28.4179.4-52.8-21.5000113.1K54 N145 W150K54-D147 IonicContact NZ-OD2 3.37Å; K54-D147 PolarHBondContact NZ-OD2 3.22Å; N145-D147 VanDerWaalsContact C-N 3.3Å; N145-D147 PolarHBondContact O-N 3.31Å; N145-D147 VanDerWaalsContact OD1-CB 3.3Å; N145-D147 WeakPolarHBondContact OD1-CB 2.98Å; N145-D147 PolarHBondContact OD1-N 2.9Å; D147-W150 PolarHBondContact O-NE1 2.77Å; D147-W150 VanDerWaalsContact O-NE1 3.07Å
148T93.7Very high96.4Very high6 Ų682.6 Ų82.64%0.03739%0.391CS..Hα-helixtrans-111.6-22.9-173.354.90000113.4K56 Y59 I142 N145 P146 W150 I151K56-T148 PolarHBondContact NZ-OG1 3.39Å; Y59-T148 HydrophobicContact CE2-CG2 4.27Å; Y59-T148 WeakPolarHBondContact OH-CG2 3.16Å; I142-T148 PolarHBondContact O-OG1 2.95Å; N145-T148 WeakPolarHBondContact CB-OG1 3.38Å; N145-T148 PolarHBondContact O-N 3.36Å; N145-T148 VanDerWaalsContact O-N 3.11Å; N145-T148 PolarHBondContact O-OG1 3.3Å; N145-T148 PolarHBondContact OD1-N 3Å; P146-T148 PolarHBondContact O-N 2.67Å; T148-W150 PolarHBondContact O-N 3.42Å; T148-W150 VanDerWaalsContact O-N 3.12Å; T148-I151 VanDerWaalsContact O-CG2 3.24Å; T148-I151 WeakPolarHBondContact O-CG2 3.31Å; T148-I151 PolarHBondContact O-N 3.02Å; T148-I151 VanDerWaalsContact O-N 3.1Å
149Q95.4Very high96.5Very high95 Ų9575.9 Ų75.944%0.44436%0.361SS..Hα-helixtrans-58.1-30.1-173.7-176.1-178.511.500112.9R143 N145 I151 T152R143-Q149 VanDerWaalsContact O-CG 3.29Å; R143-Q149 WeakPolarHBondContact O-CG 3.33Å; R143-Q149 PolarHBondContact O-NE2 2.84Å; N145-Q149 VanDerWaalsContact O-CB 3.29Å; N145-Q149 WeakPolarHBondContact O-CB 3.19Å; N145-Q149 PolarHBondContact O-N 3.36Å; Q149-I151 PolarHBondContact O-N 3.48Å; Q149-T152 PolarHBondContact O-N 3.16Å; Q149-T152 PolarHBondContact O-OG1 3.18Å
150W97.1Very high96.5Very high104 Ų10473.5 Ų73.539%0.39435%0.35SS..G310 helixtrans-50.2-38.6176.468.2-85000112.3L116 D147 T148 T152 R153 H156 R159L116-W150 HydrophobicContact CD1-CZ2 4.03Å; D147-W150 PolarHBondContact O-NE1 2.77Å; D147-W150 VanDerWaalsContact O-NE1 3.07Å; T148-W150 PolarHBondContact O-N 3.42Å; T148-W150 VanDerWaalsContact O-N 3.12Å; W150-T152 PolarHBondContact O-N 3.04Å; W150-R153 WeakPolarHBondContact O-CG 3.48Å; W150-R153 PolarHBondContact O-N 2.72Å; W150-H156 AromaticContact CE3-CE1 3.95Å; W150-H156 AromaticContact CE3-NE2 3.73Å; W150-H156 PolarHBondContact O-CD2 3.34Å; W150-H156 PolarHBondContact O-NE2 2.68Å; W150-R159 VanDerWaalsContact CZ3-CZ 3.45Å
151I96.8Very high96.5Very high0 Ų070.2 Ų70.20%034%0.337CS..G310 helixtrans-68.2-18.8-177.4-154.3172.8000113.5R114 L116 I135 T148 Q149 R153R114-I151 HydrophobicContact CB-CD1 3.82Å; R114-I151 HydrophobicContact CB-CG1 3.98Å; R114-I151 HydrophobicContact CG-CG1 4.46Å; L116-I151 HydrophobicContact CB-CD1 4.4Å; L116-I151 HydrophobicContact CD1-CD1 4.07Å; I135-I151 HydrophobicContact CB-CG2 4.4Å; I135-I151 HydrophobicContact CD1-CD1 4Å; I135-I151 HydrophobicContact CD1-CG2 4.1Å; I135-I151 HydrophobicContact CG2-CG2 3.97Å; T148-I151 VanDerWaalsContact O-CG2 3.24Å; T148-I151 WeakPolarHBondContact O-CG2 3.31Å; T148-I151 PolarHBondContact O-N 3.02Å; T148-I151 VanDerWaalsContact O-N 3.1Å; Q149-I151 PolarHBondContact O-N 3.48Å; I151-R153 VanDerWaalsContact C-N 3.28Å; I151-R153 PolarHBondContact O-N 2.88Å
152T96.8Very high96.5Very high26 Ų2674 Ų7416%0.1634%0.344CS..G310 helixtrans-79.1-12.4-178.973.60000112.6T137 I142 R143 Q149 W150T137-T152 HydrophobicContact CG2-CG2 4.11Å; I142-T152 HydrophobicContact CG2-CG2 3.84Å; R143-T152 HydrophobicContact CG-CG2 4.27Å; Q149-T152 PolarHBondContact O-N 3.16Å; Q149-T152 PolarHBondContact O-OG1 3.18Å; W150-T152 PolarHBondContact O-N 3.04Å
153R97.2Very high96.4Very high152 Ų15274.5 Ų74.557%0.57435%0.35SS*.SBendtrans-65.4144.6179-60.5171.664.5-176.81.8111.1W150 I151 V155 H156W150-R153 WeakPolarHBondContact O-CG 3.48Å; W150-R153 PolarHBondContact O-N 2.72Å; I151-R153 VanDerWaalsContact C-N 3.28Å; I151-R153 PolarHBondContact O-N 2.88Å; R153-V155 HydrophobicContact CB-CG2 4.07Å; R153-V155 PolarHBondContact O-N 3.17Å; R153-V155 VanDerWaalsContact O-N 3.13Å; R153-H156 WeakPolarHBondContact O-CB 3.23Å; R153-H156 PolarHBondContact O-N 3.07Å
154P96.6Very high96.5Very high100 Ų10071.4 Ų71.465%0.64934%0.341SS*.G310 helixtrans-57.1-29.7179.7-26.634.7000114.6H156 K157P154-H156 PolarHBondContact O-N 3.2Å; P154-K157 VanDerWaalsContact O-CG 3.25Å; P154-K157 WeakPolarHBondContact O-CG 3.31Å; P154-K157 PolarHBondContact O-N 3.25Å; P154-K157 VanDerWaalsContact O-N 3.15Å
155V97.5Very high96.6Very high82 Ų8262 Ų6250%0.49731%0.306SS..G310 helixtrans-62.1-14.5177.4-61.40000113.6R153 R162R153-V155 HydrophobicContact CB-CG2 4.07Å; R153-V155 PolarHBondContact O-N 3.17Å; R153-V155 VanDerWaalsContact O-N 3.13Å; V155-R162 PolarHBondContact O-NH1 3.09Å; V155-R162 PolarHBondContact O-NH2 3.33Å
156H97.5Very high96.6Very high36 Ų3663.6 Ų63.617%0.16732%0.321CS..G310 helixtrans-101.16.8-178.7-63.2-53.2000114.7W150 R153 P154 H158 R159W150-H156 AromaticContact CE3-CE1 3.95Å; W150-H156 AromaticContact CE3-NE2 3.73Å; W150-H156 PolarHBondContact O-CD2 3.34Å; W150-H156 PolarHBondContact O-NE2 2.68Å; R153-H156 WeakPolarHBondContact O-CB 3.23Å; R153-H156 PolarHBondContact O-N 3.07Å; P154-H156 PolarHBondContact O-N 3.2Å; H156-H158 PolarHBondContact O-N 3.25Å; H156-R159 VanDerWaalsContact CB-NH2 3.29Å; H156-R159 PolarHBondContact ND1-NH2 3.15Å
157K97.7Very high96.6Very high116 Ų11658.9 Ų58.950%0.50429%0.29SS..THydrogen-bonded Turntrans-58.2136.9172.5-57.3-162.8-173173.10111.5R114 P154 R159 R162R114-K157 VanDerWaalsContact CZ-CA 3.48Å; P154-K157 VanDerWaalsContact O-CG 3.25Å; P154-K157 WeakPolarHBondContact O-CG 3.31Å; P154-K157 PolarHBondContact O-N 3.25Å; P154-K157 VanDerWaalsContact O-N 3.15Å; K157-R159 VanDerWaalsContact C-N 3.3Å; K157-R159 PolarHBondContact O-N 3.08Å; K157-R159 VanDerWaalsContact O-N 3.13Å; K157-R162 PolarHBondContact O-NE 2.88Å; K157-R162 VanDerWaalsContact O-NE 3.16Å; K157-R162 PolarHBondContact O-NH2 3.44Å
158H97.8Very high96.7Very high64 Ų6454.1 Ų54.130%0.29627%0.265SS..THydrogen-bonded Turntrans42.850.1177-62.7-59.7000115.2H156 E160 M161 R162H156-H158 PolarHBondContact O-N 3.25Å; H158-E160 VanDerWaalsContact C-OE2 3.22Å; H158-E160 VanDerWaalsContact CA-OE1 3.31Å; H158-E160 WeakPolarHBondContact CA-OE1 3.4Å; H158-E160 WeakPolarHBondContact CA-OE2 3.14Å; H158-E160 IonicContact CG-OE1 3.21Å; H158-E160 IonicContact ND1-OE1 2.8Å; H158-E160 PolarHBondContact ND1-OE1 2.81Å; H158-E160 PolarHBondContact O-N 3.46Å; H158-M161 HydrophobicContact CB-CB 4.27Å; H158-M161 HydrophobicContact CB-CE 4.43Å; H158-M161 HydrophobicContact CB-CG 4.1Å; H158-M161 HydrophobicContact CB-SD 4.24Å; H158-M161 PolarHBondContact O-N 2.75Å; H158-R162 PolarHBondContact O-N 3.45Å; H158-R162 PolarHBondContact O-NE 3.43Å
159R98Very high96.8Very high18 Ų1859 Ų597%0.06829%0.285CS..THydrogen-bonded Turntrans-65.4-28.1-178.365163.862.7-156.71.5113V115 W150 H156 K157 R162 G163 L164 T165V115-R159 WeakPolarHBondContact O-CD 3.17Å; W150-R159 VanDerWaalsContact CZ3-CZ 3.45Å; H156-R159 VanDerWaalsContact CB-NH2 3.29Å; H156-R159 PolarHBondContact ND1-NH2 3.15Å; K157-R159 VanDerWaalsContact C-N 3.3Å; K157-R159 PolarHBondContact O-N 3.08Å; K157-R159 VanDerWaalsContact O-N 3.13Å; R159-R162 PolarHBondContact O-N 3.33Å; R159-G163 PolarHBondContact O-N 2.98Å; R159-L164 HydrophobicContact CB-CB 4.03Å; R159-L164 HydrophobicContact CB-CD1 4.5Å; R159-L164 WeakPolarHBondContact O-CB 3.37Å; R159-L164 PolarHBondContact O-N 2.93Å; R159-T165 HydrophobicContact CG-CG2 4.03Å
160E97.7Very high96.8Very high3 Ų362.1 Ų62.11%0.01430%0.297CS..THydrogen-bonded Turntrans-63-42.5173.569.6-66.6161.900111.2E103 E104 V115 H158 R162 G163 T165E103-E160 HydrophobicContact CB-CB 4.03Å; E104-E160 HydrophobicContact CG-CG 4.41Å; V115-E160 HydrophobicContact CB-CB 4.24Å; V115-E160 HydrophobicContact CB-CG 4.49Å; V115-E160 HydrophobicContact CG1-CB 4.41Å; V115-E160 HydrophobicContact CG2-CB 4.17Å; V115-E160 HydrophobicContact CG2-CG 3.96Å; H158-E160 VanDerWaalsContact C-OE2 3.22Å; H158-E160 VanDerWaalsContact CA-OE1 3.31Å; H158-E160 WeakPolarHBondContact CA-OE1 3.4Å; H158-E160 WeakPolarHBondContact CA-OE2 3.14Å; H158-E160 IonicContact CG-OE1 3.21Å; H158-E160 IonicContact ND1-OE1 2.8Å; H158-E160 PolarHBondContact ND1-OE1 2.81Å; H158-E160 PolarHBondContact O-N 3.46Å; E160-R162 VanDerWaalsContact C-N 3.27Å; E160-R162 PolarHBondContact O-N 3.1Å; E160-G163 PolarHBondContact O-N 3.39Å; E160-T165 HydrophobicContact CB-CG2 4Å
161M97.3Very high96.6Very high74 Ų7459.2 Ų59.237%0.36529%0.293SS..THydrogen-bonded Turntrans-71.2-25.1179.2-56.6-165.1-162.700112.7R108 H158R108-M161 HydrophobicContact CB-CE 4.42Å; R108-M161 HydrophobicContact CG-CE 3.41Å; R108-M161 VanDerWaalsContact CG-CE 3.41Å; H158-M161 HydrophobicContact CB-CB 4.27Å; H158-M161 HydrophobicContact CB-CE 4.43Å; H158-M161 HydrophobicContact CB-CG 4.1Å; H158-M161 HydrophobicContact CB-SD 4.24Å; H158-M161 PolarHBondContact O-N 2.75Å
162R96.6Very high96.6Very high116 Ų11663 Ų6344%0.43831%0.308SS..THydrogen-bonded Turntrans-91.92.5176.8-62.7179.9-67.7148.42.3113.5V155 K157 H158 R159 E160 L164V155-R162 PolarHBondContact O-NH1 3.09Å; V155-R162 PolarHBondContact O-NH2 3.33Å; K157-R162 PolarHBondContact O-NE 2.88Å; K157-R162 VanDerWaalsContact O-NE 3.16Å; K157-R162 PolarHBondContact O-NH2 3.44Å; H158-R162 PolarHBondContact O-N 3.45Å; H158-R162 PolarHBondContact O-NE 3.43Å; R159-R162 PolarHBondContact O-N 3.33Å; E160-R162 VanDerWaalsContact C-N 3.27Å; E160-R162 PolarHBondContact O-N 3.1Å; R162-L164 VanDerWaalsContact C-N 3.33Å; R162-L164 HydrophobicContact CB-CD1 4.11Å; R162-L164 HydrophobicContact CB-CG 4.06Å; R162-L164 PolarHBondContact O-N 3.26Å
163G96.3Very high96.4Very high12 Ų1263 Ų6312%0.12431%0.312CS..THydrogen-bonded Turntrans63.236.7-179.300000113.6R159 E160 G168 K169 R172R159-G163 PolarHBondContact O-N 2.98Å; E160-G163 PolarHBondContact O-N 3.39Å; G163-G168 CarbonylContact O-C 3.57Å; G163-K169 PolarHBondContact O-N 3.47Å; G163-R172 WeakPolarHBondContact O-CD 3.49Å
164L97.4Very high96.3Very high54 Ų5458.9 Ų58.928%0.28330%0.301SS..  trans-100-8.2179.3-63.1176000113.2R159 R162 K169R159-L164 HydrophobicContact CB-CB 4.03Å; R159-L164 HydrophobicContact CB-CD1 4.5Å; R159-L164 WeakPolarHBondContact O-CB 3.37Å; R159-L164 PolarHBondContact O-N 2.93Å; R162-L164 VanDerWaalsContact C-N 3.33Å; R162-L164 HydrophobicContact CB-CD1 4.11Å; R162-L164 HydrophobicContact CB-CG 4.06Å; R162-L164 PolarHBondContact O-N 3.26Å; L164-K169 VanDerWaalsContact O-CE 3.26Å; L164-K169 WeakPolarHBondContact O-CE 3.49Å
165T97.5Very high96.2Very high3 Ų356.1 Ų56.12%0.01829%0.291CS..SBendtrans-69.7164.9168.658.70000111E103 V115 R159 E160 A167 G168 K169E103-T165 WeakPolarHBondContact OE2-CB 3.37Å; E103-T165 WeakPolarHBondContact OE2-CG2 3.43Å; E103-T165 PolarHBondContact OE2-OG1 2.85Å; V115-T165 HydrophobicContact CG1-CG2 3.99Å; R159-T165 HydrophobicContact CG-CG2 4.03Å; E160-T165 HydrophobicContact CB-CG2 4Å; T165-A167 VanDerWaalsContact C-N 3.28Å; T165-A167 PolarHBondContact O-N 3.37Å; T165-G168 PolarHBondContact O-N 2.98Å; T165-G168 PolarHBondContact OG1-N 3.42Å; T165-G168 VanDerWaalsContact OG1-N 3.15Å; T165-K169 WeakPolarHBondContact O-CB 3.42Å; T165-K169 VanDerWaalsContact O-CG 3.32Å; T165-K169 WeakPolarHBondContact O-CG 3.27Å; T165-K169 PolarHBondContact O-N 2.92Å
166S95.1Very high96.1Very high73 Ų7361.7 Ų61.751%0.5131%0.309SS..Hα-helixtrans-57.9-41.5176.4-176.90000111.9K170S166-K170 WeakPolarHBondContact O-CG 3.49Å
167A96.6Very high95.9Very high2 Ų262.8 Ų62.82%0.01733%0.329CS..Hα-helixtrans-69.2-40.9178.600000112.6Q99 T165Q99-A167 HydrophobicContact CB-CB 4.1Å; Q99-A167 HydrophobicContact CG-CB 3.75Å; T165-A167 VanDerWaalsContact C-N 3.28Å; T165-A167 PolarHBondContact O-N 3.37Å
168G95.3Very high95.8Very high0 Ų064.4 Ų64.40%034%0.339CS..Hα-helixtrans-69.4-38.5178.500000113.5G163 T165 K170 S171G163-G168 CarbonylContact O-C 3.57Å; T165-G168 PolarHBondContact O-N 2.98Å; T165-G168 PolarHBondContact OG1-N 3.42Å; T165-G168 VanDerWaalsContact OG1-N 3.15Å; G168-K170 VanDerWaalsContact C-N 3.27Å; G168-K170 PolarHBondContact O-N 2.9Å; G168-S171 PolarHBondContact O-N 3.07Å; G168-S171 PolarHBondContact O-OG 3.36Å
169K95.8Very high95.7Very high108 Ų10869.2 Ų69.247%0.4736%0.359SS..Hα-helixtrans-59.9-35.5177.4-78.3179.7176.1-177.80112.6G163 L164 T165 S171 R172G163-K169 PolarHBondContact O-N 3.47Å; L164-K169 VanDerWaalsContact O-CE 3.26Å; L164-K169 WeakPolarHBondContact O-CE 3.49Å; T165-K169 WeakPolarHBondContact O-CB 3.42Å; T165-K169 VanDerWaalsContact O-CG 3.32Å; T165-K169 WeakPolarHBondContact O-CG 3.27Å; T165-K169 PolarHBondContact O-N 2.92Å; K169-S171 VanDerWaalsContact C-N 3.35Å; K169-S171 PolarHBondContact O-N 3.5Å; K169-R172 WeakPolarHBondContact O-CB 3.38Å; K169-R172 PolarHBondContact O-N 3.24Å; K169-R172 VanDerWaalsContact O-N 3.1Å
170K94.5Very high95.7Very high161 Ų16171.9 Ų71.970%0.737%0.371SS*.Hα-helixtrans-60-40.3179.4-73179.6179.6-171.90113S166 G168 R172S166-K170 WeakPolarHBondContact O-CG 3.49Å; G168-K170 VanDerWaalsContact C-N 3.27Å; G168-K170 PolarHBondContact O-N 2.9Å; K170-R172 PolarHBondContact O-N 2.93Å
171S93.9Very high95.6Very high44 Ų4476 Ų7631%0.30839%0.39SS..Hα-helixtrans-71.9-15177.842.90000114.2A95 G168 K169 G173A95-S171 WeakPolarHBondContact O-CB 3.34Å; G168-S171 PolarHBondContact O-N 3.07Å; G168-S171 PolarHBondContact O-OG 3.36Å; K169-S171 VanDerWaalsContact C-N 3.35Å; K169-S171 PolarHBondContact O-N 3.5Å; S171-G173 VanDerWaalsContact C-N 3.29Å; S171-G173 PolarHBondContact O-N 3.42Å
172R95.3Very high95.5Very high79 Ų7976.6 Ų76.630%0.29839%0.394SS..THydrogen-bonded Turntrans-79.2-12-178-68.2176.556.9177.4-3.6113.4G163 K169 K170 L174 G186G163-R172 WeakPolarHBondContact O-CD 3.49Å; K169-R172 WeakPolarHBondContact O-CB 3.38Å; K169-R172 PolarHBondContact O-N 3.24Å; K169-R172 VanDerWaalsContact O-N 3.1Å; K170-R172 PolarHBondContact O-N 2.93Å; R172-L174 VanDerWaalsContact C-N 3.29Å; R172-L174 HydrophobicContact CB-CD1 4.16Å; R172-L174 HydrophobicContact CB-CD2 4.4Å; R172-L174 HydrophobicContact CB-CG 3.81Å; R172-L174 PolarHBondContact O-N 3.08Å; R172-G186 PolarHBondContact NH2-O 3.23Å
173G93.4Very high95.5Very high25 Ų2571.5 Ų71.526%0.25838%0.376SS..THydrogen-bonded Turntrans62.935.2-177.900000112.9S171 F180 T183S171-G173 VanDerWaalsContact C-N 3.29Å; S171-G173 PolarHBondContact O-N 3.42Å; G173-F180 WeakPolarHBondContact O-CD1 3.42Å; G173-T183 VanDerWaalsContact O-CG2 3.32Å; G173-T183 WeakPolarHBondContact O-CG2 3.43Å; G173-T183 PolarHBondContact O-OG1 3.17Å
174L94.8Very high95.4Very high66 Ų6675.2 Ų75.235%0.34639%0.391SS..  trans-79.1143176.1-58.3174.1000110.1R172 T183 G186R172-L174 VanDerWaalsContact C-N 3.29Å; R172-L174 HydrophobicContact CB-CD1 4.16Å; R172-L174 HydrophobicContact CB-CD2 4.4Å; R172-L174 HydrophobicContact CB-CG 3.81Å; R172-L174 PolarHBondContact O-N 3.08Å; L174-T183 HydrophobicContact CD2-CG2 4.41Å; L174-G186 WeakPolarHBondContact CD2-O 3.49Å
175G94.7Very high95.2Very high42 Ų4276 Ų7643%0.43341%0.412SS..  trans177.2-169.4175.400000111.8F180G175-F180 VanDerWaalsContact CA-CD1 3.47Å; G175-F180 VanDerWaalsContact CA-CG 3.46Å
176K94.9Very high95Very high200 Ų20077.9 Ų77.987%0.8743%0.432SS*.SBendtrans-122.6146.3179.5-65.1-173.2177.1-173.50110.3F180K176-F180 WeakPolarHBondContact O-CD2 3.31Å; K176-F180 WeakPolarHBondContact O-CE2 3.32Å
177G94.5Very high95.1Very high58 Ų5876.2 Ų76.260%0.59842%0.42SS*.SBendtrans97.7176.3179.400000114.3K179 F180G177-K179 PolarHBondContact O-N 3.05Å; G177-K179 VanDerWaalsContact O-N 3.11Å; G177-F180 PolarHBondContact O-N 2.66Å
178H94.7Very high95.1Very high151 Ų15183.5 Ų83.570%0.69945%0.447SS*.G310 helixtrans-55.2-32.5-171.963.7-91000113.8F180 H181H178-F180 PolarHBondContact O-N 3.1Å; H178-F180 VanDerWaalsContact O-N 3.16Å; H178-H181 PolarHBondContact O-N 3.13Å; H178-H181 PolarHBondContact O-ND1 3.21Å
179K96.5Very high95.1Very high165 Ų16593.6 Ų93.672%0.71749%0.485SS*.G310 helixtrans-64.8-16.9178.1-59.8-171.9178.5178.10114G177G177-K179 PolarHBondContact O-N 3.05Å; G177-K179 VanDerWaalsContact O-N 3.11Å
180F96.4Very high95.2Very high74 Ų7490.3 Ų90.333%0.32548%0.479SS..G310 helixtrans-111.517.5-175.6-57.5-85000113.7G173 G175 K176 G177 H178 L182 T183G173-F180 WeakPolarHBondContact O-CD1 3.42Å; G175-F180 VanDerWaalsContact CA-CD1 3.47Å; G175-F180 VanDerWaalsContact CA-CG 3.46Å; K176-F180 WeakPolarHBondContact O-CD2 3.31Å; K176-F180 WeakPolarHBondContact O-CE2 3.32Å; G177-F180 PolarHBondContact O-N 2.66Å; H178-F180 PolarHBondContact O-N 3.1Å; H178-F180 VanDerWaalsContact O-N 3.16Å; F180-L182 PolarHBondContact O-N 3.3Å; F180-T183 PolarHBondContact O-N 3.36Å; F180-T183 PolarHBondContact O-OG1 3.41Å; F180-T183 VanDerWaalsContact O-OG1 3.08Å
181H95.3Very high95.3Very high88 Ų8882.7 Ų82.741%0.40745%0.446SS..G310 helixtrans-55-27.7-178.368.3-86000113.6H178 T183 M184 R195H178-H181 PolarHBondContact O-N 3.13Å; H178-H181 PolarHBondContact O-ND1 3.21Å; H181-T183 PolarHBondContact O-N 3.05Å; H181-M184 HydrophobicContact CB-CE 4.06Å; H181-M184 WeakPolarHBondContact O-CE 3.39Å; H181-R195 PolarHBondContact O-NH2 2.74Å
182L95.8Very high95.4Very high87 Ų8788.4 Ų88.446%0.45546%0.461SS..G310 helixtrans-68.1-11.2176.3-64.4178.8000114.1F180 R188 A191F180-L182 PolarHBondContact O-N 3.3Å; L182-R188 VanDerWaalsContact O-CA 3.31Å; L182-R188 WeakPolarHBondContact O-CA 3.47Å; L182-A191 WeakPolarHBondContact O-CB 3.34Å
183T96.8Very high95.5Very high9 Ų991.4 Ų91.46%0.05548%0.476CS..G310 helixtrans-122.612.5-177.460.70000114.1G173 L174 F180 H181 G185 G186 R188G173-T183 VanDerWaalsContact O-CG2 3.32Å; G173-T183 WeakPolarHBondContact O-CG2 3.43Å; G173-T183 PolarHBondContact O-OG1 3.17Å; L174-T183 HydrophobicContact CD2-CG2 4.41Å; F180-T183 PolarHBondContact O-N 3.36Å; F180-T183 PolarHBondContact O-OG1 3.41Å; F180-T183 VanDerWaalsContact O-OG1 3.08Å; H181-T183 PolarHBondContact O-N 3.05Å; T183-G185 PolarHBondContact O-N 2.79Å; T183-G186 PolarHBondContact O-N 3.04Å; T183-R188 HydrophobicContact CG2-CG 3.65Å
184M94.7Very high95.7Very high91 Ų9197 Ų9745%0.44849%0.489SS..THydrogen-bonded Turntrans-58.4124.2174.3-68.4-170.7-65.800110.6H181 A191 R195H181-M184 HydrophobicContact CB-CE 4.06Å; H181-M184 WeakPolarHBondContact O-CE 3.39Å; M184-A191 WeakPolarHBondContact O-CB 3.5Å; M184-R195 VanDerWaalsContact CE-NH2 3.34Å
185G92.4Very high95.7Very high70 Ų7099.5 Ų99.572%0.72249%0.494SS*.THydrogen-bonded Turntrans93.510.9-17000000114.4T183T183-G185 PolarHBondContact O-N 2.79Å
186G94.1Very high95.8Very high42 Ų42102.2 Ų102.243%0.43350%0.499SS..SBendtrans100.1-15.6164.300000116.4R172 L174 T183R172-G186 PolarHBondContact NH2-O 3.23Å; L174-G186 WeakPolarHBondContact CD2-O 3.49Å; T183-G186 PolarHBondContact O-N 3.04Å
187S96.5Very high95.9Very high39 Ų3995.7 Ų95.727%0.27348%0.476SS..SBendtrans-156.6161.4172.173.10000111.9R189 A190 A191S187-R189 VanDerWaalsContact C-N 3.33Å; S187-R189 PolarHBondContact O-N 3.37Å; S187-A190 PolarHBondContact O-N 3.34Å; S187-A190 VanDerWaalsContact OG-CB 3.27Å; S187-A190 WeakPolarHBondContact OG-CB 3.32Å; S187-A190 PolarHBondContact OG-N 3.34Å; S187-A190 VanDerWaalsContact OG-N 3.09Å; S187-A191 WeakPolarHBondContact O-CB 3.38Å; S187-A191 PolarHBondContact O-N 3.33Å
188R96.1Very high96Very high154 Ų15499.6 Ų99.658%0.58148%0.482SS*.Hα-helixtrans-59.5-41.9175.8-65.6-174.1-179.2-179.1-3.4112.8L182 T183 A191 W192L182-R188 VanDerWaalsContact O-CA 3.31Å; L182-R188 WeakPolarHBondContact O-CA 3.47Å; T183-R188 HydrophobicContact CG2-CG 3.65Å; R188-A191 PolarHBondContact O-N 3.32Å; R188-W192 WeakPolarHBondContact O-CB 3.1Å; R188-W192 PolarHBondContact O-N 3.49Å
189R96.6Very high96Very high212 Ų21298.1 Ų98.180%0.848%0.475SS*.Hα-helixtrans-67.5-40.2178.8-171.3175.2-177.2175.70.2111.9S187 W192 K193S187-R189 VanDerWaalsContact C-N 3.33Å; S187-R189 PolarHBondContact O-N 3.37Å; R189-W192 PolarHBondContact O-N 3.16Å; R189-K193 WeakPolarHBondContact O-CB 3.47Å; R189-K193 PolarHBondContact O-N 3.41Å
190A96.5Very high96Very high40 Ų4095.4 Ų95.433%0.33147%0.468SS..Hα-helixtrans-63.5-44.6175.200000111.4S187 W192 K193 R194S187-A190 PolarHBondContact O-N 3.34Å; S187-A190 VanDerWaalsContact OG-CB 3.27Å; S187-A190 WeakPolarHBondContact OG-CB 3.32Å; S187-A190 PolarHBondContact OG-N 3.34Å; S187-A190 VanDerWaalsContact OG-N 3.09Å; A190-W192 PolarHBondContact O-N 3.24Å; A190-K193 PolarHBondContact O-N 3.24Å; A190-R194 WeakPolarHBondContact O-CB 3.5Å; A190-R194 PolarHBondContact O-N 3.16Å
191A97.1Very high95.9Very high1 Ų198.2 Ų98.21%0.00848%0.482CS..Hα-helixtrans-60.6-45.1175.900000112L182 M184 S187 R188 R195L182-A191 WeakPolarHBondContact O-CB 3.34Å; M184-A191 WeakPolarHBondContact O-CB 3.5Å; S187-A191 WeakPolarHBondContact O-CB 3.38Å; S187-A191 PolarHBondContact O-N 3.33Å; R188-A191 PolarHBondContact O-N 3.32Å; A191-R195 WeakPolarHBondContact O-CG 3.17Å; A191-R195 PolarHBondContact O-N 3.11Å
192W97.3Very high95.8Very high164 Ų164104.5 Ų104.562%0.62150%0.502SS*.Hα-helixtrans-62.9-48.9176.7-17888.5000111.6R188 R189 A190 R194 R195 N196R188-W192 WeakPolarHBondContact O-CB 3.1Å; R188-W192 PolarHBondContact O-N 3.49Å; R189-W192 PolarHBondContact O-N 3.16Å; A190-W192 PolarHBondContact O-N 3.24Å; W192-R194 VanDerWaalsContact C-N 3.34Å; W192-R194 PolarHBondContact O-N 2.97Å; W192-R195 PolarHBondContact O-N 2.82Å; W192-R195 VanDerWaalsContact O-N 3.13Å; W192-N196 HydrophobicContact CH2-CB 4.46Å; W192-N196 HydrophobicContact CZ2-CB 4.29Å; W192-N196 PolarHBondContact NE1-ND2 2.7Å; W192-N196 PolarHBondContact O-N 3.33Å; W192-N196 PolarHBondContact O-ND2 3.1Å
193K97.3Very high95.5Very high142 Ų142109 Ų10962%0.61751%0.514SS*.Hα-helixtrans-57-48.8-179.9-172.2176.8-178.2-177.60110.9R189 A190 R195 N196 T197R189-K193 WeakPolarHBondContact O-CB 3.47Å; R189-K193 PolarHBondContact O-N 3.41Å; A190-K193 PolarHBondContact O-N 3.24Å; K193-R195 VanDerWaalsContact C-N 3.29Å; K193-R195 PolarHBondContact O-N 3.39Å; K193-N196 CarbonylContact O-C 3.53Å; K193-N196 PolarHBondContact O-N 3Å; K193-T197 WeakPolarHBondContact O-CB 3.48Å; K193-T197 PolarHBondContact O-N 3.32Å; K193-T197 VanDerWaalsContact O-N 3.1Å; K193-T197 PolarHBondContact O-OG1 3.01Å
194R95.9Very high94.6Very high141 Ų141121.4 Ų121.453%0.53256%0.56SS.*Hα-helixtrans-56.7-40178.2-177.4176.862.6105.4-2.5113A190 W192A190-R194 WeakPolarHBondContact O-CB 3.5Å; A190-R194 PolarHBondContact O-N 3.16Å; W192-R194 VanDerWaalsContact C-N 3.34Å; W192-R194 PolarHBondContact O-N 2.97Å
195R96Very high94.6Very high120 Ų120123 Ų12345%0.45357%0.566SS.*Hα-helixtrans-75.3-26.4-179.9-71.8176.5-177.9162.95.2113.9H181 M184 A191 W192 K193H181-R195 PolarHBondContact O-NH2 2.74Å; M184-R195 VanDerWaalsContact CE-NH2 3.34Å; A191-R195 WeakPolarHBondContact O-CG 3.17Å; A191-R195 PolarHBondContact O-N 3.11Å; W192-R195 PolarHBondContact O-N 2.82Å; W192-R195 VanDerWaalsContact O-N 3.13Å; K193-R195 VanDerWaalsContact C-N 3.29Å; K193-R195 PolarHBondContact O-N 3.39Å
196N97.2Very high94.7Very high98 Ų98125.7 Ų125.752%0.52456%0.558SS.*THydrogen-bonded Turntrans-105.816.5-176.5-64.5-90.3000111.9W192 K193W192-N196 HydrophobicContact CH2-CB 4.46Å; W192-N196 HydrophobicContact CZ2-CB 4.29Å; W192-N196 PolarHBondContact NE1-ND2 2.7Å; W192-N196 PolarHBondContact O-N 3.33Å; W192-N196 PolarHBondContact O-ND2 3.1Å; K193-N196 CarbonylContact O-C 3.53Å; K193-N196 PolarHBondContact O-N 3Å
197T96.8Very high94.7Very high63 Ų63130.4 Ų130.439%0.38757%0.565SS.*  trans-104.9112.2173.8-56.80000108.1K193 Q199K193-T197 WeakPolarHBondContact O-CB 3.48Å; K193-T197 PolarHBondContact O-N 3.32Å; K193-T197 VanDerWaalsContact O-N 3.1Å; K193-T197 PolarHBondContact O-OG1 3.01Å; T197-Q199 PolarHBondContact O-N 3.07Å; T197-Q199 PolarHBondContact O-NE2 2.89Å
198L96.2Very high94.6Very high140 Ų140135.8 Ų135.873%0.73358%0.582SS**  trans-63121.6171.4-179.663.5000109L200L198-L200 HydrophobicContact CD1-CD2 4.31Å; L198-L200 HydrophobicContact CD2-CD1 4.3Å; L198-L200 HydrophobicContact CD2-CD2 3.71Å; L198-L200 HydrophobicContact CD2-CG 4.1Å; L198-L200 HydrophobicContact CG-CD2 3.7Å; L198-L200 HydrophobicContact CG-CG 4.02Å
199Q95.1Very high94.5Very high120 Ų120134.6 Ų134.656%0.56158%0.582SS**  trans-88114.5176.2-58.4-59.1-46.600108.4T197T197-Q199 PolarHBondContact O-N 3.07Å; T197-Q199 PolarHBondContact O-NE2 2.89Å
200L95.7Very high94.4Very high108 Ų108129.5 Ų129.557%0.56557%0.567SS**  trans-110.599.5176.7-62.2-175.8000108.6L198 R204L198-L200 HydrophobicContact CD1-CD2 4.31Å; L198-L200 HydrophobicContact CD2-CD1 4.3Å; L198-L200 HydrophobicContact CD2-CD2 3.71Å; L198-L200 HydrophobicContact CD2-CG 4.1Å; L198-L200 HydrophobicContact CG-CD2 3.7Å; L198-L200 HydrophobicContact CG-CG 4.02Å; L200-R204 VanDerWaalsContact CD2-NH2 3.34Å
201H94.3Very high94.2Very high134 Ų134135.9 Ų135.962%0.6258%0.584SS**  trans-77.2149.7174.8-63.7-82.2000110.3Y203H201-Y203 VanDerWaalsContact C-N 3.26Å; H201-Y203 WeakPolarHBondContact CB-O 3.41Å; H201-Y203 PolarHBondContact O-N 3.04Å
202R92.9Very high94Very high220 Ų220146.2 Ų146.283%0.8363%0.629SS**SBendtrans-60-38.1-178-178.3176.8178.8173.10.9112.3
203Y91.1Very high93.8Very high180 Ų180144.8 Ų144.871%0.70663%0.629SS**  trans-115.5130.5172.4-55.6-71.3000107H201H201-Y203 VanDerWaalsContact C-N 3.26Å; H201-Y203 WeakPolarHBondContact CB-O 3.41Å; H201-Y203 PolarHBondContact O-N 3.04Å
204R76.6Confident93.4Very high271 Ų271145 Ų145100%1.02363%0.63SS**  trans-1050177.4-66.7-172.1-173.1178.96.8109.5L200L200-R204 VanDerWaalsContact CD2-NH2 3.34Å

Retrieved 204 of 204 residues in 527.4 ms (Link to these results)

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