A0A060XMF0_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 A0A060XMF0, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 204 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M63.8Low92.1Very high175 Ų17581.2 Ų81.286%0.86242%0.42SS*.  0126.20-113.8-176.6-84.900109K5 Y6M1-K5 HydrophobicContact CG-CG 4.26Å; M1-K5 HydrophobicContact SD-CG 4.14Å; M1-Y6 HydrophobicContact CB-CE2 3.88Å
2G91.5Very high92.4Very high51 Ų5187.4 Ų87.453%0.52643%0.434SS..  trans-83.5154.5-176.900000114.2Y4 K5G2-Y4 PolarHBondContact O-N 3.44Å; G2-K5 VanDerWaalsContact O-CB 3.28Å; G2-K5 WeakPolarHBondContact O-CB 3.34Å; G2-K5 PolarHBondContact O-N 2.87Å
3A94.9Very high92.7Very high74 Ų7492.9 Ų92.961%0.61245%0.454SS*.Hα-helixtrans-49.5-37.6-176.700000114.5K5 Y6 M7A3-K5 PolarHBondContact O-N 3.38Å; A3-Y6 PolarHBondContact O-N 3.5Å; A3-M7 WeakPolarHBondContact O-CG 3.26Å; A3-M7 PolarHBondContact O-N 3.38Å; A3-M7 VanDerWaalsContact O-N 3.08Å
4Y95.4Very high92.9Very high109 Ų10992.4 Ų92.443%0.42745%0.448SS..Hα-helixtrans-61.7-27.3178.3-67.8-59.7000114.1G2 M7 Q8 P45 D46G2-Y4 PolarHBondContact O-N 3.44Å; Y4-M7 HydrophobicContact CD1-SD 4.01Å; Y4-M7 HydrophobicContact CE1-SD 4.48Å; Y4-Q8 WeakPolarHBondContact O-CB 3.49Å; Y4-Q8 PolarHBondContact O-N 3.4Å; Y4-P45 HydrophobicContact CE1-CB 4.43Å; Y4-D46 HydrophobicContact CD1-CB 4.06Å
5K95.7Very high93.2Very high87 Ų8797.9 Ų97.938%0.37847%0.473SS..Hα-helixtrans-67.4-48.4176.4-179.169.3-179.2-157.90110.4M1 G2 A3 M7 Q8 E9M1-K5 HydrophobicContact CG-CG 4.26Å; M1-K5 HydrophobicContact SD-CG 4.14Å; G2-K5 VanDerWaalsContact O-CB 3.28Å; G2-K5 WeakPolarHBondContact O-CB 3.34Å; G2-K5 PolarHBondContact O-N 2.87Å; A3-K5 PolarHBondContact O-N 3.38Å; K5-M7 PolarHBondContact O-N 2.72Å; K5-Q8 WeakPolarHBondContact O-CB 3.38Å; K5-Q8 PolarHBondContact O-N 3.26Å; K5-Q8 VanDerWaalsContact O-N 3.15Å; K5-E9 WeakPolarHBondContact CE-OE1 3.42Å; K5-E9 WeakPolarHBondContact O-CG 3.35Å; K5-E9 PolarHBondContact O-N 3.45Å
6Y95.8Very high93.4Very high121 Ų12194.4 Ų94.448%0.47546%0.462SS..Hα-helixtrans-62.1-43.2176.7-62.8-77.7000111.9M1 A3 Q8 E9 L10M1-Y6 HydrophobicContact CB-CE2 3.88Å; A3-Y6 PolarHBondContact O-N 3.5Å; Y6-Q8 VanDerWaalsContact C-N 3.28Å; Y6-Q8 PolarHBondContact O-N 3.03Å; Y6-E9 PolarHBondContact O-N 2.9Å; Y6-E9 VanDerWaalsContact O-N 3.11Å; Y6-L10 PolarHBondContact O-N 3.45Å
7M95.3Very high93.7Very high57 Ų5796.4 Ų96.428%0.28148%0.475SS..Hα-helixtrans-56.8-44.3173.5-66.2178.977.800111.5A3 Y4 K5 E9 L10 W11 P45 D46A3-M7 WeakPolarHBondContact O-CG 3.26Å; A3-M7 PolarHBondContact O-N 3.38Å; A3-M7 VanDerWaalsContact O-N 3.08Å; Y4-M7 HydrophobicContact CD1-SD 4.01Å; Y4-M7 HydrophobicContact CE1-SD 4.48Å; K5-M7 PolarHBondContact O-N 2.72Å; M7-E9 VanDerWaalsContact C-N 3.32Å; M7-E9 PolarHBondContact O-N 3.25Å; M7-L10 PolarHBondContact O-N 3.14Å; M7-W11 PolarHBondContact O-N 2.83Å; M7-W11 VanDerWaalsContact O-N 3.09Å; M7-P45 HydrophobicContact CE-CB 4.25Å; M7-P45 HydrophobicContact CE-CG 4.09Å; M7-D46 HydrophobicContact CB-CB 3.99Å; M7-D46 HydrophobicContact CE-CB 4.49Å; M7-D46 HydrophobicContact SD-CB 4.4Å
8Q95.2Very high93.9Very high33 Ų3396.8 Ų96.815%0.15448%0.483CS..Hα-helixtrans-63-38.9177.9177.9-179.9-3.200112Y4 K5 Y6 W11 R12 R50Y4-Q8 WeakPolarHBondContact O-CB 3.49Å; Y4-Q8 PolarHBondContact O-N 3.4Å; K5-Q8 WeakPolarHBondContact O-CB 3.38Å; K5-Q8 PolarHBondContact O-N 3.26Å; K5-Q8 VanDerWaalsContact O-N 3.15Å; Y6-Q8 VanDerWaalsContact C-N 3.28Å; Y6-Q8 PolarHBondContact O-N 3.03Å; Q8-W11 CarbonylContact O-C 3.5Å; Q8-W11 PolarHBondContact O-N 2.7Å; Q8-R12 WeakPolarHBondContact O-CG 3.38Å; Q8-R12 PolarHBondContact O-N 3.15Å; Q8-R50 VanDerWaalsContact NE2-NH1 3.12Å
9E95.2Very high94Very high73 Ų7392 Ų9234%0.34146%0.459SS..Hα-helixtrans-66.3-41.7178.7-73.8174.9-17500112.2K5 Y6 M7 W11 R12 K13K5-E9 WeakPolarHBondContact CE-OE1 3.42Å; K5-E9 WeakPolarHBondContact O-CG 3.35Å; K5-E9 PolarHBondContact O-N 3.45Å; Y6-E9 PolarHBondContact O-N 2.9Å; Y6-E9 VanDerWaalsContact O-N 3.11Å; M7-E9 VanDerWaalsContact C-N 3.32Å; M7-E9 PolarHBondContact O-N 3.25Å; E9-W11 VanDerWaalsContact C-N 3.34Å; E9-W11 PolarHBondContact O-N 2.92Å; E9-R12 WeakPolarHBondContact O-CB 3.4Å; E9-R12 PolarHBondContact O-N 2.82Å; E9-K13 PolarHBondContact O-N 3.22Å; E9-K13 VanDerWaalsContact O-N 3.17Å
10L94.9Very high94.2Very high95 Ų9594.4 Ų94.450%0.49746%0.463SS..Hα-helixtrans-56.2-48.6170.3-71.3169.9000111.2Y6 M7 R12 K13 M19Y6-L10 PolarHBondContact O-N 3.45Å; M7-L10 PolarHBondContact O-N 3.14Å; L10-R12 PolarHBondContact O-N 2.94Å; L10-K13 CarbonylContact O-C 3.59Å; L10-K13 PolarHBondContact O-N 3.36Å; L10-K13 VanDerWaalsContact O-N 3.16Å; L10-M19 HydrophobicContact CB-SD 4.47Å
11W95.3Very high94.3Very high18 Ų1896.7 Ų96.77%0.06847%0.471CS..Hα-helixtrans-68.8-15.3177.8-78.8109.2000114.5M7 Q8 E9 K14 M19 L23 R26 R44 W120M7-W11 PolarHBondContact O-N 2.83Å; M7-W11 VanDerWaalsContact O-N 3.09Å; Q8-W11 CarbonylContact O-C 3.5Å; Q8-W11 PolarHBondContact O-N 2.7Å; E9-W11 VanDerWaalsContact C-N 3.34Å; E9-W11 PolarHBondContact O-N 2.92Å; W11-K14 WeakPolarHBondContact O-CE 3.49Å; W11-K14 VanDerWaalsContact O-CG 3.24Å; W11-K14 WeakPolarHBondContact O-CG 3.3Å; W11-K14 PolarHBondContact O-NZ 3.01Å; W11-M19 HydrophobicContact CD2-CE 3.78Å; W11-M19 HydrophobicContact CE3-CE 3.43Å; W11-M19 VanDerWaalsContact CE3-CE 3.43Å; W11-M19 HydrophobicContact CH2-CE 3.93Å; W11-M19 HydrophobicContact CZ2-CE 4.21Å; W11-M19 HydrophobicContact CZ3-CE 3.53Å; W11-L23 HydrophobicContact CH2-CD2 4.18Å; W11-L23 HydrophobicContact CZ3-CD2 3.97Å; W11-R26 VanDerWaalsContact CH2-NH1 3.34Å; W11-R26 VanDerWaalsContact CZ2-NH1 3.27Å; W11-R44 HydrophobicContact CD2-CG 4.23Å; W11-R44 VanDerWaalsContact CD2-NE 3.3Å; W11-R44 HydrophobicContact CH2-CG 3.8Å; W11-R44 HydrophobicContact CZ2-CG 3.3Å; W11-R44 HydrophobicContact CZ3-CG 4.44Å; W11-W120 HydrophobicContact CZ3-CZ3 4.09Å
12R95.4Very high95.9Very high156 Ų15691.2 Ų91.259%0.58944%0.444SS*.Hα-helixtrans-76.6-42.9170.8-77.5170.8167.9-177.5-5110.1Q8 E9 L10 K14Q8-R12 WeakPolarHBondContact O-CG 3.38Å; Q8-R12 PolarHBondContact O-N 3.15Å; E9-R12 WeakPolarHBondContact O-CB 3.4Å; E9-R12 PolarHBondContact O-N 2.82Å; L10-R12 PolarHBondContact O-N 2.94Å; R12-K14 VanDerWaalsContact C-N 3.31Å; R12-K14 PolarHBondContact O-N 3.12Å; R12-K14 VanDerWaalsContact O-N 3.08Å
13K96.6Very high96.2Very high159 Ų15989.9 Ų89.969%0.69143%0.425SS*.  trans-83.859.5178.5-62.6-174.2178.3-1770112.8E9 L10 Q15 S16E9-K13 PolarHBondContact O-N 3.22Å; E9-K13 VanDerWaalsContact O-N 3.17Å; L10-K13 CarbonylContact O-C 3.59Å; L10-K13 PolarHBondContact O-N 3.36Å; L10-K13 VanDerWaalsContact O-N 3.16Å; K13-Q15 PolarHBondContact O-N 3.42Å; K13-Q15 VanDerWaalsContact O-N 3.15Å; K13-S16 PolarHBondContact O-N 2.64Å; K13-S16 VanDerWaalsContact O-N 3.17Å; K13-S16 PolarHBondContact O-OG 3.35Å
14K95.4Very high96.3Very high86 Ų8694.8 Ų94.837%0.37443%0.428SS..THydrogen-bonded Turntrans-66.2-16.7-175.9-61.2-178.4-168.759.10115W11 R12 W120W11-K14 WeakPolarHBondContact O-CE 3.49Å; W11-K14 VanDerWaalsContact O-CG 3.24Å; W11-K14 WeakPolarHBondContact O-CG 3.3Å; W11-K14 PolarHBondContact O-NZ 3.01Å; R12-K14 VanDerWaalsContact C-N 3.31Å; R12-K14 PolarHBondContact O-N 3.12Å; R12-K14 VanDerWaalsContact O-N 3.08Å; K14-W120 HydrophobicContact CD-CH2 4.27Å; K14-W120 HydrophobicContact CD-CZ3 4.09Å
15Q97.1Very high96.4Very high174 Ų17492.8 Ų92.881%0.81343%0.427SS*.THydrogen-bonded Turntrans-86-8.5178.6-73.1177.1-26.300113.1K13 R20K13-Q15 PolarHBondContact O-N 3.42Å; K13-Q15 VanDerWaalsContact O-N 3.15Å; Q15-R20 WeakPolarHBondContact O-CD 3.5Å
16S97.7Very high96.4Very high43 Ų4391 Ų9130%0.30142%0.418SS..SBendtrans-62.1151.1174.468.10000111.2K13 V18 M19 R20K13-S16 PolarHBondContact O-N 2.64Å; K13-S16 VanDerWaalsContact O-N 3.17Å; K13-S16 PolarHBondContact O-OG 3.35Å; S16-V18 VanDerWaalsContact C-N 3.28Å; S16-V18 PolarHBondContact O-N 3.2Å; S16-M19 PolarHBondContact O-N 3.46Å; S16-M19 WeakPolarHBondContact OG-CB 3.36Å; S16-M19 WeakPolarHBondContact OG-CG 3.46Å; S16-M19 PolarHBondContact OG-N 2.86Å; S16-R20 WeakPolarHBondContact O-CG 3.26Å; S16-R20 PolarHBondContact O-N 3.28Å
17D97.7Very high96.5Very high128 Ų12885.8 Ų85.868%0.68440%0.399SS*.Hα-helixtrans-59.6-40.6-176-60.8-42.6000112.1M19 R20 F21D17-M19 PolarHBondContact O-N 3.11Å; D17-R20 PolarHBondContact O-N 3.37Å; D17-F21 VanDerWaalsContact O-CB 3.31Å; D17-F21 WeakPolarHBondContact O-CB 3.31Å; D17-F21 PolarHBondContact O-N 3.38Å
18V96.6Very high96.6Very high103 Ų10391 Ų9162%0.62442%0.415SS*.Hα-helixtrans-56.2-48.3174179.10000111.5S16 L22S16-V18 VanDerWaalsContact C-N 3.28Å; S16-V18 PolarHBondContact O-N 3.2Å; V18-L22 VanDerWaalsContact O-CB 3.31Å; V18-L22 WeakPolarHBondContact O-CB 3.48Å; V18-L22 PolarHBondContact O-N 2.88Å
19M96.7Very high96.7Very high6 Ų694 Ų943%0.0343%0.429CS..Hα-helixtrans-71.8-37.4-178.2-74.7-57.1-52.900112.1L10 W11 S16 D17 L23L10-M19 HydrophobicContact CB-SD 4.47Å; W11-M19 HydrophobicContact CD2-CE 3.78Å; W11-M19 HydrophobicContact CE3-CE 3.43Å; W11-M19 VanDerWaalsContact CE3-CE 3.43Å; W11-M19 HydrophobicContact CH2-CE 3.93Å; W11-M19 HydrophobicContact CZ2-CE 4.21Å; W11-M19 HydrophobicContact CZ3-CE 3.53Å; S16-M19 PolarHBondContact O-N 3.46Å; S16-M19 WeakPolarHBondContact OG-CB 3.36Å; S16-M19 WeakPolarHBondContact OG-CG 3.46Å; S16-M19 PolarHBondContact OG-N 2.86Å; D17-M19 PolarHBondContact O-N 3.11Å; M19-L23 HydrophobicContact CE-CD1 4.48Å; M19-L23 HydrophobicContact CE-CG 4.42Å; M19-L23 VanDerWaalsContact O-CB 3.27Å; M19-L23 WeakPolarHBondContact O-CB 3.42Å; M19-L23 WeakPolarHBondContact O-CG 3.27Å; M19-L23 PolarHBondContact O-N 3.15Å
20R97.1Very high96.8Very high139 Ų13990.7 Ų90.753%0.52541%0.414SS..Hα-helixtrans-63.5-46176-71.917867.8-174.52.4111.3Q15 S16 D17 R24Q15-R20 WeakPolarHBondContact O-CD 3.5Å; S16-R20 WeakPolarHBondContact O-CG 3.26Å; S16-R20 PolarHBondContact O-N 3.28Å; D17-R20 PolarHBondContact O-N 3.37Å; R20-R24 WeakPolarHBondContact O-CB 3.37Å; R20-R24 PolarHBondContact O-N 3.06Å
21F97.6Very high96.8Very high144 Ų14490.8 Ų90.863%0.63241%0.407SS*.Hα-helixtrans-58.7-53.2175.2175.8-99.4000111D17 L23 R24 V25D17-F21 VanDerWaalsContact O-CB 3.31Å; D17-F21 WeakPolarHBondContact O-CB 3.31Å; D17-F21 PolarHBondContact O-N 3.38Å; F21-L23 VanDerWaalsContact C-N 3.34Å; F21-L23 PolarHBondContact O-N 3.48Å; F21-R24 WeakPolarHBondContact O-CB 3.2Å; F21-R24 PolarHBondContact O-N 3.03Å; F21-R24 VanDerWaalsContact O-N 3.14Å; F21-V25 HydrophobicContact CE1-CG2 4.24Å; F21-V25 HydrophobicContact CE2-CG2 4.18Å; F21-V25 HydrophobicContact CZ-CG2 4Å; F21-V25 PolarHBondContact O-N 2.85Å
22L97.3Very high96.9Very high59 Ų5996.5 Ų96.531%0.30944%0.435SS..Hα-helixtrans-60.6-41.4-178.5-173.867.1000112.6V18 R26V18-L22 VanDerWaalsContact O-CB 3.31Å; V18-L22 WeakPolarHBondContact O-CB 3.48Å; V18-L22 PolarHBondContact O-N 2.88Å; L22-R26 WeakPolarHBondContact O-CB 3.33Å; L22-R26 VanDerWaalsContact O-CG 3.28Å; L22-R26 WeakPolarHBondContact O-CG 3.2Å; L22-R26 PolarHBondContact O-N 3.35Å; L22-R26 VanDerWaalsContact O-N 3.09Å
23L96.9Very high97Very high24 Ų2492.2 Ų92.213%0.12642%0.424CS..Hα-helixtrans-68.5-36.7177.4-74.3173.9000112.2W11 M19 F21 C27 W120 V121W11-L23 HydrophobicContact CH2-CD2 4.18Å; W11-L23 HydrophobicContact CZ3-CD2 3.97Å; M19-L23 HydrophobicContact CE-CD1 4.48Å; M19-L23 HydrophobicContact CE-CG 4.42Å; M19-L23 VanDerWaalsContact O-CB 3.27Å; M19-L23 WeakPolarHBondContact O-CB 3.42Å; M19-L23 WeakPolarHBondContact O-CG 3.27Å; M19-L23 PolarHBondContact O-N 3.15Å; F21-L23 VanDerWaalsContact C-N 3.34Å; F21-L23 PolarHBondContact O-N 3.48Å; L23-C27 WeakPolarHBondContact O-CB 3.37Å; L23-C27 PolarHBondContact O-N 3.13Å; L23-C27 PolarHBondContact O-SG 2.81Å; L23-W120 HydrophobicContact CD1-CH2 3.98Å; L23-W120 HydrophobicContact CD2-CH2 4.02Å; L23-W120 HydrophobicContact CD2-CZ3 4.33Å; L23-V121 WeakPolarHBondContact CD2-O 3.43Å
24R97.3Very high97Very high177 Ų17788.1 Ų88.167%0.66842%0.415SS*.Hα-helixtrans-62-51.6176.4-177.1-179.1-70177.8-3.7111.1R20 F21 R26 C27 W28R20-R24 WeakPolarHBondContact O-CB 3.37Å; R20-R24 PolarHBondContact O-N 3.06Å; F21-R24 WeakPolarHBondContact O-CB 3.2Å; F21-R24 PolarHBondContact O-N 3.03Å; F21-R24 VanDerWaalsContact O-N 3.14Å; R24-R26 VanDerWaalsContact C-N 3.34Å; R24-R26 PolarHBondContact O-N 2.86Å; R24-C27 PolarHBondContact O-N 3.42Å; R24-W28 PolarHBondContact O-N 3.48Å
25V97.6Very high97Very high66 Ų6685.3 Ų85.340%0.441%0.411SS..Hα-helixtrans-60.4-43.9178.9176.70000111F21 W28 Q29F21-V25 HydrophobicContact CE1-CG2 4.24Å; F21-V25 HydrophobicContact CE2-CG2 4.18Å; F21-V25 HydrophobicContact CZ-CG2 4Å; F21-V25 PolarHBondContact O-N 2.85Å; V25-W28 PolarHBondContact O-N 2.99Å; V25-Q29 PolarHBondContact O-N 2.96Å
26R96.9Very high97.1Very high50 Ų5078.6 Ų78.619%0.18938%0.38CS..Hα-helixtrans-64-45.3177.2-76.9174.7174.7165.9-2.1112.9W11 L22 R24 W28 Q29 Y30W11-R26 VanDerWaalsContact CH2-NH1 3.34Å; W11-R26 VanDerWaalsContact CZ2-NH1 3.27Å; L22-R26 WeakPolarHBondContact O-CB 3.33Å; L22-R26 VanDerWaalsContact O-CG 3.28Å; L22-R26 WeakPolarHBondContact O-CG 3.2Å; L22-R26 PolarHBondContact O-N 3.35Å; L22-R26 VanDerWaalsContact O-N 3.09Å; R24-R26 VanDerWaalsContact C-N 3.34Å; R24-R26 PolarHBondContact O-N 2.86Å; R26-W28 VanDerWaalsContact C-N 3.28Å; R26-W28 PolarHBondContact O-N 2.85Å; R26-Q29 PolarHBondContact O-N 2.81Å; R26-Y30 HydrophobicContact CB-CE1 4.4Å; R26-Y30 HydrophobicContact CB-CE2 3.97Å; R26-Y30 WeakPolarHBondContact O-CB 3.45Å; R26-Y30 VanDerWaalsContact O-CD1 3.29Å; R26-Y30 WeakPolarHBondContact O-CD1 3.46Å; R26-Y30 WeakPolarHBondContact O-CD2 3.27Å; R26-Y30 PolarHBondContact O-N 2.92Å
27C96.6Very high97.1Very high11 Ų1178 Ų787%0.07437%0.372CS..Hα-helixtrans-61.2-39.9177.5-76.60000111.3L23 R24 Y30 R31 E123 F129L23-C27 WeakPolarHBondContact O-CB 3.37Å; L23-C27 PolarHBondContact O-N 3.13Å; L23-C27 PolarHBondContact O-SG 2.81Å; R24-C27 PolarHBondContact O-N 3.42Å; C27-Y30 PolarHBondContact O-N 3.06Å; C27-R31 WeakPolarHBondContact O-CG 2.95Å; C27-R31 PolarHBondContact O-N 2.95Å; C27-R31 VanDerWaalsContact O-N 3.11Å; C27-E123 PolarHBondContact SG-O 3.44Å; C27-E123 VanDerWaalsContact SG-O 3.41Å; C27-F129 HydrophobicContact CB-CE2 4.35Å
28W97.4Very high97.1Very high166 Ų16679.6 Ų79.663%0.62937%0.369SS*.Hα-helixtrans-59.2-51.9172.4171.985.8000111.5R24 V25 R26 Y30 R31 Q32R24-W28 PolarHBondContact O-N 3.48Å; V25-W28 PolarHBondContact O-N 2.99Å; R26-W28 VanDerWaalsContact C-N 3.28Å; R26-W28 PolarHBondContact O-N 2.85Å; W28-Y30 VanDerWaalsContact C-N 3.34Å; W28-Y30 PolarHBondContact O-N 3.21Å; W28-R31 WeakPolarHBondContact O-CB 3.08Å; W28-R31 PolarHBondContact O-N 2.66Å; W28-Q32 PolarHBondContact O-N 2.92Å
29Q97.2Very high97.1Very high96 Ų9674.9 Ų74.945%0.44934%0.34SS..Hα-helixtrans-57.1-45.9178.1-173.7-172.322.100111.9V25 R26 R31 Q32 L33V25-Q29 PolarHBondContact O-N 2.96Å; R26-Q29 PolarHBondContact O-N 2.81Å; Q29-R31 PolarHBondContact O-N 3Å; Q29-Q32 PolarHBondContact O-N 3.18Å; Q29-L33 PolarHBondContact O-N 2.95Å
30Y97.3Very high97Very high5 Ų580.4 Ų80.42%0.0238%0.377CS..Hα-helixtrans-70.5-20.7-176.4-59.1-12.4000113.4R26 C27 W28 T43 R63 V121 F129R26-Y30 HydrophobicContact CB-CE1 4.4Å; R26-Y30 HydrophobicContact CB-CE2 3.97Å; R26-Y30 WeakPolarHBondContact O-CB 3.45Å; R26-Y30 VanDerWaalsContact O-CD1 3.29Å; R26-Y30 WeakPolarHBondContact O-CD1 3.46Å; R26-Y30 WeakPolarHBondContact O-CD2 3.27Å; R26-Y30 PolarHBondContact O-N 2.92Å; C27-Y30 PolarHBondContact O-N 3.06Å; W28-Y30 VanDerWaalsContact C-N 3.34Å; W28-Y30 PolarHBondContact O-N 3.21Å; Y30-T43 PolarHBondContact OH-OG1 3.29Å; Y30-T43 VanDerWaalsContact OH-OG1 3.04Å; Y30-R63 PolarHBondContact OH-NH2 3.34Å; Y30-V121 HydrophobicContact CE2-CG2 3.95Å; Y30-F129 HydrophobicContact CD2-CB 4.1Å; Y30-F129 HydrophobicContact CD2-CD1 4.12Å; Y30-F129 HydrophobicContact CD2-CD2 4.41Å; Y30-F129 AromaticContact CD2-CG 3.96Å; Y30-F129 HydrophobicContact CD2-CG 3.96Å; Y30-F129 HydrophobicContact CG-CD1 4.36Å
31R96Very high96.9Very high96 Ų9683.7 Ų83.736%0.36239%0.389SS..Hα-helixtrans-71.4-36.4173.1-82.6-176.5166.9-145.3-5.7112.5C27 W28 Q29 L33 R65 D124 T126 F129C27-R31 WeakPolarHBondContact O-CG 2.95Å; C27-R31 PolarHBondContact O-N 2.95Å; C27-R31 VanDerWaalsContact O-N 3.11Å; W28-R31 WeakPolarHBondContact O-CB 3.08Å; W28-R31 PolarHBondContact O-N 2.66Å; Q29-R31 PolarHBondContact O-N 3Å; R31-L33 VanDerWaalsContact C-N 3.31Å; R31-R65 PolarHBondContact O-NH1 2.78Å; R31-D124 IonicContact CZ-OD1 2.8Å; R31-D124 IonicContact CZ-OD2 3.2Å; R31-D124 IonicContact NE-OD1 3.83Å; R31-D124 IonicContact NE-OD2 2.71Å; R31-D124 PolarHBondContact NE-OD2 3.02Å; R31-D124 IonicContact NH2-OD1 3.41Å; R31-D124 PolarHBondContact NH2-OD1 3.22Å; R31-D124 IonicContact NH2-OD2 3.74Å; R31-D124 PolarHBondContact NH2-OD2 3.41Å; R31-T126 PolarHBondContact NH2-OG1 3.33Å; R31-F129 HydrophobicContact CG-CZ 4.07Å
32Q97.1Very high96.9Very high138 Ų13877.6 Ų77.665%0.64536%0.364SS*.Hα-helixtrans-71.4-29.6179.8-55.2-54.3-23.600112.1W28 Q29W28-Q32 PolarHBondContact O-N 2.92Å; Q29-Q32 PolarHBondContact O-N 3.18Å
33L96.9Very high96.9Very high67 Ų6775.7 Ų75.735%0.35136%0.355SS..SBendtrans-76.6161.2177.5-60.1173.6000112.2Q29 R31 H37 R65Q29-L33 PolarHBondContact O-N 2.95Å; R31-L33 VanDerWaalsContact C-N 3.31Å; L33-H37 VanDerWaalsContact CB-CE1 3.5Å; L33-H37 WeakPolarHBondContact CB-CE1 3.26Å; L33-H37 VanDerWaalsContact CD1-NE2 3.31Å; L33-H37 WeakPolarHBondContact CD1-NE2 3.29Å; L33-R65 PolarHBondContact O-NH1 2.9Å
34S97.1Very high96.9Very high72 Ų7275.8 Ų75.850%0.50335%0.354SS..  trans-60.4156.117772.20000111.6L36 H37S34-L36 PolarHBondContact O-N 3.09Å; S34-L36 PolarHBondContact OG-O 3.11Å; S34-H37 PolarHBondContact O-ND1 3.07Å
35G96.1Very high96.9Very high28 Ų2869.6 Ų69.629%0.28934%0.336SS..SBendtrans-62.2-19.1-174.400000114.8V64 R65G35-V64 WeakPolarHBondContact O-CA 3.45Å; G35-R65 PolarHBondContact O-N 3.1Å
36L97.8Very high96.8Very high33 Ų3366.8 Ų66.817%0.17332%0.319CS..EExtended strand (participates in β ladder)trans-143117.5171.4-180158000107.6S34 Y62 R63 V64 R105 H109S34-L36 PolarHBondContact O-N 3.09Å; S34-L36 PolarHBondContact OG-O 3.11Å; L36-Y62 HydrophobicContact CD2-CD1 3.49Å; L36-Y62 VanDerWaalsContact CD2-CD1 3.49Å; L36-Y62 HydrophobicContact CD2-CE1 3.75Å; L36-Y62 HydrophobicContact CG-CD1 4.22Å; L36-R63 WeakPolarHBondContact CA-O 3.46Å; L36-V64 HydrophobicContact CD1-CG2 4.17Å; L36-V64 HydrophobicContact CG-CG2 4.11Å; L36-R105 HydrophobicContact CD1-CB 4.47Å; L36-R105 WeakPolarHBondContact CD1-O 3.45Å; L36-H109 HydrophobicContact CD1-CB 3.65Å; L36-H109 HydrophobicContact CD2-CB 4.06Å; L36-H109 WeakPolarHBondContact CD2-CD2 3.37Å
37H97.8Very high96.8Very high29 Ų2967.3 Ų67.313%0.13432%0.323CS..EExtended strand (participates in β ladder)trans-142.5156.7178.158.7-88.5000111.1L33 S34 Y62 R63L33-H37 VanDerWaalsContact CB-CE1 3.5Å; L33-H37 WeakPolarHBondContact CB-CE1 3.26Å; L33-H37 VanDerWaalsContact CD1-NE2 3.31Å; L33-H37 WeakPolarHBondContact CD1-NE2 3.29Å; S34-H37 PolarHBondContact O-ND1 3.07Å; H37-Y62 CarbonylContact O-C 3.58Å; H37-Y62 WeakPolarHBondContact O-CA 3.21Å; H37-R63 PolarHBondContact N-O 3.21Å; H37-R63 PolarHBondContact NE2-NH1 3.05Å; H37-R63 VanDerWaalsContact NE2-NH1 3.15Å; H37-R63 PolarHBondContact O-N 3.4Å
38R97.6Very high96.9Very high163 Ų16366.8 Ų66.862%0.61532%0.319SS*.EExtended strand (participates in β ladder)trans-73.7131.9174.3-173176.7177.8-177.8-0.7110Y62R38-Y62 HydrophobicContact CB-CD1 4.47Å; R38-Y62 HydrophobicContact CB-CE1 4.07Å; R38-Y62 HydrophobicContact CB-CE2 4.25Å; R38-Y62 HydrophobicContact CG-CE2 4.19Å
39A96.8Very high96.9Very high3 Ų366.2 Ų66.23%0.02532%0.317CS..EExtended strand (participates in β ladder)trans-97.4132.8170.200000109.2R41 I61A39-R41 VanDerWaalsContact C-N 3.34Å; A39-R41 PolarHBondContact O-N 2.91Å; A39-I61 HydrophobicContact CB-CB 4.42Å; A39-I61 HydrophobicContact CB-CG2 4.07Å; A39-I61 PolarHBondContact N-O 3.17Å
40P95.1Very high96.8Very high123 Ų12368.2 Ų68.280%0.79932%0.32SS*.SBendtrans-69.2-33.3-178.125.8-33.6000112.5
41R95.7Very high96.8Very high208 Ų20870 Ų7079%0.78533%0.33SS*.SBendtrans-141.4154.7-179.4-68-177.4-177.7145.40.2110.3A39 T43A39-R41 VanDerWaalsContact C-N 3.34Å; A39-R41 PolarHBondContact O-N 2.91Å; R41-T43 PolarHBondContact O-N 3.25Å
42P97.6Very high96.8Very high16 Ų1667 Ų6710%0.10433%0.328CS..  trans-63.8131.1174.122.2-29.2000110.3R44 P45 A48 Y53 I61 Y119P42-R44 PolarHBondContact O-N 3.35Å; P42-P45 HydrophobicContact CG-CB 4.39Å; P42-P45 HydrophobicContact CG-CG 4.22Å; P42-P45 WeakPolarHBondContact O-CD 3.45Å; P42-A48 HydrophobicContact CB-CB 3.85Å; P42-A48 HydrophobicContact CG-CB 4.43Å; P42-Y53 HydrophobicContact CG-CD1 4.37Å; P42-Y53 HydrophobicContact CG-CE1 3.9Å; P42-I61 HydrophobicContact CB-CD1 3.45Å; P42-I61 VanDerWaalsContact CB-CD1 3.45Å; P42-I61 HydrophobicContact CG-CD1 3.91Å; P42-Y119 WeakPolarHBondContact CB-OH 3.4Å
43T96.9Very high96.9Very high19 Ų1962 Ų6212%0.11730%0.304CS..SBendtrans-64-28170.4-59.60000111.3Y30 R41 R63 E131Y30-T43 PolarHBondContact OH-OG1 3.29Å; Y30-T43 VanDerWaalsContact OH-OG1 3.04Å; R41-T43 PolarHBondContact O-N 3.25Å; T43-R63 PolarHBondContact OG1-NH2 3Å; T43-E131 WeakPolarHBondContact CB-OE1 3.4Å; T43-E131 PolarHBondContact N-OE1 2.98Å; T43-E131 PolarHBondContact N-OE2 3.01Å; T43-E131 PolarHBondContact OG1-OE1 2.92Å
44R96.3Very high96.8Very high26 Ų2662.6 Ų62.610%0.09830%0.304CS..  trans-12678.4-179.8-62.9-173.259.7-170.1-0.2111.2W11 P42 D46 K47 A48 Y119 W120W11-R44 HydrophobicContact CD2-CG 4.23Å; W11-R44 VanDerWaalsContact CD2-NE 3.3Å; W11-R44 HydrophobicContact CH2-CG 3.8Å; W11-R44 HydrophobicContact CZ2-CG 3.3Å; W11-R44 HydrophobicContact CZ3-CG 4.44Å; P42-R44 PolarHBondContact O-N 3.35Å; R44-D46 IonicContact NH2-OD2 3.07Å; R44-D46 PolarHBondContact O-N 3.36Å; R44-K47 HydrophobicContact CB-CB 3.88Å; R44-K47 PolarHBondContact O-N 2.84Å; R44-K47 VanDerWaalsContact O-N 3.15Å; R44-A48 WeakPolarHBondContact O-CB 3.35Å; R44-A48 PolarHBondContact O-N 3.45Å; R44-Y119 HydrophobicContact CB-CD2 4.26Å; R44-Y119 HydrophobicContact CB-CE2 3.8Å; R44-Y119 HydrophobicContact CG-CE2 4.32Å; R44-W120 PolarHBondContact NH1-O 2.99Å
45P96.6Very high96.8Very high47 Ų4765 Ų6531%0.30532%0.319SS..Hα-helixtrans-54.2-38.8178.3-25.132.3000113.2Y4 M7 P42 K47 R49Y4-P45 HydrophobicContact CE1-CB 4.43Å; M7-P45 HydrophobicContact CE-CB 4.25Å; M7-P45 HydrophobicContact CE-CG 4.09Å; P42-P45 HydrophobicContact CG-CB 4.39Å; P42-P45 HydrophobicContact CG-CG 4.22Å; P42-P45 WeakPolarHBondContact O-CD 3.45Å; P45-K47 PolarHBondContact O-N 3.23Å; P45-R49 VanDerWaalsContact O-CB 3.25Å; P45-R49 WeakPolarHBondContact O-CB 3.33Å; P45-R49 PolarHBondContact O-N 3.49Å
46D96.5Very high96.7Very high7 Ų766.2 Ų66.24%0.03732%0.316CS..Hα-helixtrans-57.9-47.5176.667.7-58.8000112.2Y4 M7 R44 R50Y4-D46 HydrophobicContact CD1-CB 4.06Å; M7-D46 HydrophobicContact CB-CB 3.99Å; M7-D46 HydrophobicContact CE-CB 4.49Å; M7-D46 HydrophobicContact SD-CB 4.4Å; R44-D46 IonicContact NH2-OD2 3.07Å; R44-D46 PolarHBondContact O-N 3.36Å; D46-R50 PolarHBondContact O-N 3.11Å
47K97.6Very high96.6Very high60 Ų6071 Ų7126%0.26134%0.338SS..Hα-helixtrans-77.4-39.9-176.7-176.157.7178.3175.40111.3R44 P45 R49 R50 L51 Y119R44-K47 HydrophobicContact CB-CB 3.88Å; R44-K47 PolarHBondContact O-N 2.84Å; R44-K47 VanDerWaalsContact O-N 3.15Å; P45-K47 PolarHBondContact O-N 3.23Å; K47-R49 VanDerWaalsContact C-N 3.34Å; K47-R50 PolarHBondContact O-N 3.24Å; K47-L51 HydrophobicContact CD-CD1 4.41Å; K47-L51 HydrophobicContact CG-CD1 4.29Å; K47-L51 WeakPolarHBondContact O-CG 3.16Å; K47-L51 PolarHBondContact O-N 2.98Å; K47-Y119 HydrophobicContact CG-CD1 4.39Å; K47-Y119 HydrophobicContact CG-CD2 4.18Å; K47-Y119 HydrophobicContact CG-CG 3.83Å
48A97.8Very high96.6Very high0 Ų070 Ų700%034%0.336CS..Hα-helixtrans-59.7-47176.200000110.5P42 R44 R50 L51 G52 Y53 Y119 I133P42-A48 HydrophobicContact CB-CB 3.85Å; P42-A48 HydrophobicContact CG-CB 4.43Å; R44-A48 WeakPolarHBondContact O-CB 3.35Å; R44-A48 PolarHBondContact O-N 3.45Å; A48-R50 PolarHBondContact O-N 3.31Å; A48-L51 CarbonylContact O-C 3.59Å; A48-L51 WeakPolarHBondContact O-CA 3.39Å; A48-L51 PolarHBondContact O-N 3.18Å; A48-G52 PolarHBondContact O-N 3.34Å; A48-Y53 HydrophobicContact CB-CD1 4.12Å; A48-Y53 HydrophobicContact CB-CG 4.06Å; A48-Y53 VanDerWaalsContact O-CB 3.24Å; A48-Y53 WeakPolarHBondContact O-CB 3.38Å; A48-Y53 PolarHBondContact O-N 3.03Å; A48-Y119 HydrophobicContact CB-CE1 3.74Å; A48-I133 HydrophobicContact CB-CD1 4.41Å
49R96.7Very high96.6Very high154 Ų15463.2 Ų63.258%0.58131%0.31SS*.Hα-helixtrans-59.6-43.4179.2-169.5173-176.3109.4-0.2112.2P45 K47 L51 G52P45-R49 VanDerWaalsContact O-CB 3.25Å; P45-R49 WeakPolarHBondContact O-CB 3.33Å; P45-R49 PolarHBondContact O-N 3.49Å; K47-R49 VanDerWaalsContact C-N 3.34Å; R49-L51 PolarHBondContact O-N 3.46Å; R49-G52 PolarHBondContact O-N 2.86Å
50R96.4Very high96.6Very high139 Ų13964.2 Ų64.253%0.52532%0.316SS..Hα-helixtrans-61.3-27.4175.2-168.8177.6-50.9179.25.8113.6Q8 D46 K47 A48 G52Q8-R50 VanDerWaalsContact NE2-NH1 3.12Å; D46-R50 PolarHBondContact O-N 3.11Å; K47-R50 PolarHBondContact O-N 3.24Å; A48-R50 PolarHBondContact O-N 3.31Å; R50-G52 VanDerWaalsContact C-N 3.31Å
51L97.2Very high96.8Very high42 Ų4258.5 Ų58.522%0.2228%0.278CS..THydrogen-bonded Turntrans-91.26.7178.7-67.7173.4000112.9K47 A48 R49 L116 A117 S118 Y119 I133K47-L51 HydrophobicContact CD-CD1 4.41Å; K47-L51 HydrophobicContact CG-CD1 4.29Å; K47-L51 WeakPolarHBondContact O-CG 3.16Å; K47-L51 PolarHBondContact O-N 2.98Å; A48-L51 CarbonylContact O-C 3.59Å; A48-L51 WeakPolarHBondContact O-CA 3.39Å; A48-L51 PolarHBondContact O-N 3.18Å; R49-L51 PolarHBondContact O-N 3.46Å; L51-L116 WeakPolarHBondContact O-CD2 3.45Å; L51-A117 HydrophobicContact CB-CB 3.93Å; L51-A117 HydrophobicContact CD1-CB 4.4Å; L51-A117 HydrophobicContact CD2-CB 4.34Å; L51-A117 HydrophobicContact CG-CB 4.46Å; L51-S118 VanDerWaalsContact CD1-O 3.3Å; L51-S118 WeakPolarHBondContact CD1-O 3.36Å; L51-Y119 HydrophobicContact CD1-CD1 3.68Å; L51-Y119 HydrophobicContact CD1-CG 4.16Å; L51-I133 HydrophobicContact CB-CD1 3.88Å
52G96.1Very high96.9Very high32 Ų3250.6 Ų50.633%0.3325%0.249SC..THydrogen-bonded Turntrans93.810.517500000115A48 R49 R50 Y59A48-G52 PolarHBondContact O-N 3.34Å; R49-G52 PolarHBondContact O-N 2.86Å; R50-G52 VanDerWaalsContact C-N 3.31Å; G52-Y59 WeakPolarHBondContact O-CE1 3.25Å; G52-Y59 PolarHBondContact O-OH 2.55Å
53Y97.7Very high96.9Very high34 Ų3450.8 Ų50.813%0.13325%0.248CC..  trans-65.9132.9168.1176.6-97.9000110.4P42 A48 C55 Y59 I61 I133P42-Y53 HydrophobicContact CG-CD1 4.37Å; P42-Y53 HydrophobicContact CG-CE1 3.9Å; A48-Y53 HydrophobicContact CB-CD1 4.12Å; A48-Y53 HydrophobicContact CB-CG 4.06Å; A48-Y53 VanDerWaalsContact O-CB 3.24Å; A48-Y53 WeakPolarHBondContact O-CB 3.38Å; A48-Y53 PolarHBondContact O-N 3.03Å; Y53-C55 HydrophobicContact CE1-CB 4.34Å; Y53-Y59 AromaticContact CD2-CD1 3.8Å; Y53-Y59 HydrophobicContact CD2-CD1 3.8Å; Y53-Y59 HydrophobicContact CD2-CG 4.28Å; Y53-Y59 HydrophobicContact CE2-CD1 4.41Å; Y53-Y59 HydrophobicContact CE2-CG 4.46Å; Y53-I61 HydrophobicContact CD2-CD1 4.02Å; Y53-I61 HydrophobicContact CD2-CG1 4.23Å; Y53-I61 HydrophobicContact CE2-CD1 3.74Å; Y53-I61 HydrophobicContact CE2-CG1 3.99Å; Y53-I133 HydrophobicContact CD2-CG2 4.14Å
54K96.3Very high97Very high80 Ų8050 Ų5035%0.34824%0.243SC..  trans-123.1142.5169.4-65.1-173.5179-175.10108.2K56 Y59 D147K54-K56 HydrophobicContact CB-CD 4.46Å; K54-K56 HydrophobicContact CB-CG 4.12Å; K54-K56 PolarHBondContact O-N 3.35Å; K54-Y59 HydrophobicContact CB-CE2 4.17Å; K54-D147 IonicContact NZ-OD2 2.66Å; K54-D147 PolarHBondContact NZ-OD2 3.15Å
55C95.5Very high97.1Very high121 Ų12151.8 Ų51.882%0.81825%0.249SC*.SBendtrans-80.368177.5-1630000110.1Y53Y53-C55 HydrophobicContact CE1-CB 4.34Å
56K94.4Very high97.2Very high54 Ų5449.7 Ų49.724%0.23524%0.236CC..SBendtrans-136.7158.5176.164.3175-176.7165.30109.6K54 Y59 T141 N145 T148K54-K56 HydrophobicContact CB-CD 4.46Å; K54-K56 HydrophobicContact CB-CG 4.12Å; K54-K56 PolarHBondContact O-N 3.35Å; K56-Y59 HydrophobicContact CD-CE2 4.42Å; K56-Y59 VanDerWaalsContact CE-CE2 3.45Å; K56-Y59 HydrophobicContact CG-CD2 3.86Å; K56-Y59 HydrophobicContact CG-CE2 4.09Å; K56-Y59 PolarHBondContact O-N 2.93Å; K56-T141 PolarHBondContact NZ-O 3.23Å; K56-T141 VanDerWaalsContact NZ-O 3.12Å; K56-N145 VanDerWaalsContact NZ-CB 3.32Å; K56-N145 PolarHBondContact NZ-ND2 2.83Å; K56-T148 PolarHBondContact NZ-OG1 3.05Å
57Q96.5Very high97.2Very high134 Ų13457.5 Ų57.563%0.62627%0.265SS*.THydrogen-bonded Turntrans-55.7148175.8-64.3174.1-25.900111.3Y59 H139 T141Q57-Y59 VanDerWaalsContact C-N 3.35Å; Q57-H139 WeakPolarHBondContact CB-CE1 3.33Å; Q57-H139 PolarHBondContact OE1-CE1 2.93Å; Q57-T141 HydrophobicContact CB-CG2 4.4Å; Q57-T141 PolarHBondContact O-OG1 3.04Å
58G96.4Very high97.2Very high9 Ų959.1 Ų59.19%0.09327%0.269CS..THydrogen-bonded Turntrans88.3-9.1-174.700000114.8I135 D136G58-I135 CarbonylContact O-C 3.56Å; G58-I135 WeakPolarHBondContact O-CA 3.35Å; G58-D136 PolarHBondContact O-N 2.84Å
59Y97.9Very high97.1Very high20 Ų2062.1 Ų62.18%0.07830%0.3CS..EExtended strand (participates in β ladder)trans-94.3133165.1-80.8-100000110.5G52 Y53 K54 K56 Q57 L116 I133 I135 I142 T148G52-Y59 WeakPolarHBondContact O-CE1 3.25Å; G52-Y59 PolarHBondContact O-OH 2.55Å; Y53-Y59 AromaticContact CD2-CD1 3.8Å; Y53-Y59 HydrophobicContact CD2-CD1 3.8Å; Y53-Y59 HydrophobicContact CD2-CG 4.28Å; Y53-Y59 HydrophobicContact CE2-CD1 4.41Å; Y53-Y59 HydrophobicContact CE2-CG 4.46Å; K54-Y59 HydrophobicContact CB-CE2 4.17Å; K56-Y59 HydrophobicContact CD-CE2 4.42Å; K56-Y59 VanDerWaalsContact CE-CE2 3.45Å; K56-Y59 HydrophobicContact CG-CD2 3.86Å; K56-Y59 HydrophobicContact CG-CE2 4.09Å; K56-Y59 PolarHBondContact O-N 2.93Å; Q57-Y59 VanDerWaalsContact C-N 3.35Å; Y59-L116 HydrophobicContact CE1-CD2 3.99Å; Y59-I133 HydrophobicContact CD1-CG2 3.94Å; Y59-I133 HydrophobicContact CE1-CG2 4.31Å; Y59-I135 HydrophobicContact CD1-CD1 4.49Å; Y59-I135 HydrophobicContact CD1-CG1 4.06Å; Y59-I135 HydrophobicContact CE1-CD1 3.83Å; Y59-I135 HydrophobicContact CE1-CG1 3.9Å; Y59-I142 HydrophobicContact CD2-CD1 3.72Å; Y59-I142 HydrophobicContact CE2-CD1 3.56Å; Y59-T148 HydrophobicContact CE2-CG2 4.28Å; Y59-T148 WeakPolarHBondContact OH-CG2 3.32Å
60V97.8Very high96.9Very high23 Ų2357 Ų5714%0.13930%0.295CS..EExtended strand (participates in β ladder)trans-134.8154.4173-55.30000110.7Y62 L113 L134V60-Y62 HydrophobicContact CG2-CD2 4.24Å; V60-Y62 HydrophobicContact CG2-CE2 4.12Å; V60-L113 HydrophobicContact CG2-CD1 3.47Å; V60-L113 VanDerWaalsContact CG2-CD1 3.47Å; V60-L134 HydrophobicContact CG2-CB 3.62Å; V60-L134 HydrophobicContact CG2-CD1 4.38Å; V60-L134 PolarHBondContact N-O 3.05Å; V60-L134 PolarHBondContact O-N 2.54Å; V60-L134 VanDerWaalsContact O-O 3.13Å
61I98.3Very high96.7Very high3 Ų357.8 Ų57.82%0.01530%0.298CS..EExtended strand (participates in β ladder)trans-122129.9179.2-60.7177.5000108.1A39 P42 Y53 E131 V132A39-I61 HydrophobicContact CB-CB 4.42Å; A39-I61 HydrophobicContact CB-CG2 4.07Å; A39-I61 PolarHBondContact N-O 3.17Å; P42-I61 HydrophobicContact CB-CD1 3.45Å; P42-I61 VanDerWaalsContact CB-CD1 3.45Å; P42-I61 HydrophobicContact CG-CD1 3.91Å; Y53-I61 HydrophobicContact CD2-CD1 4.02Å; Y53-I61 HydrophobicContact CD2-CG1 4.23Å; Y53-I61 HydrophobicContact CE2-CD1 3.74Å; Y53-I61 HydrophobicContact CE2-CG1 3.99Å; I61-E131 HydrophobicContact CG2-CB 3.83Å; I61-E131 HydrophobicContact CG2-CG 3.92Å; I61-V132 WeakPolarHBondContact CA-O 3.3Å
62Y98.4Very high96.6Very high43 Ų4361.5 Ų61.517%0.16931%0.312CS..EExtended strand (participates in β ladder)trans-114.3137.2170.8-87-104.8000109.5L36 H37 R38 V60 E131 V132 L134L36-Y62 HydrophobicContact CD2-CD1 3.49Å; L36-Y62 VanDerWaalsContact CD2-CD1 3.49Å; L36-Y62 HydrophobicContact CD2-CE1 3.75Å; L36-Y62 HydrophobicContact CG-CD1 4.22Å; H37-Y62 CarbonylContact O-C 3.58Å; H37-Y62 WeakPolarHBondContact O-CA 3.21Å; R38-Y62 HydrophobicContact CB-CD1 4.47Å; R38-Y62 HydrophobicContact CB-CE1 4.07Å; R38-Y62 HydrophobicContact CB-CE2 4.25Å; R38-Y62 HydrophobicContact CG-CE2 4.19Å; V60-Y62 HydrophobicContact CG2-CD2 4.24Å; V60-Y62 HydrophobicContact CG2-CE2 4.12Å; Y62-E131 CarbonylContact O-C 3.56Å; Y62-E131 WeakPolarHBondContact O-CA 3.21Å; Y62-V132 PolarHBondContact N-O 3.49Å; Y62-V132 PolarHBondContact O-N 3.32Å; Y62-L134 HydrophobicContact CD2-CD1 3.38Å; Y62-L134 HydrophobicContact CE2-CD1 4.16Å; Y62-L134 HydrophobicContact CG-CD1 3.85Å
63R98.5Very high96.6Very high20 Ų2063.8 Ų63.88%0.07531%0.311CS..EExtended strand (participates in β ladder)trans-98.2131.1172.3-166.6174.8-61133.6-8.3109Y30 L36 H37 T43 F130 E131Y30-R63 PolarHBondContact OH-NH2 3.34Å; L36-R63 WeakPolarHBondContact CA-O 3.46Å; H37-R63 PolarHBondContact N-O 3.21Å; H37-R63 PolarHBondContact NE2-NH1 3.05Å; H37-R63 VanDerWaalsContact NE2-NH1 3.15Å; H37-R63 PolarHBondContact O-N 3.4Å; T43-R63 PolarHBondContact OG1-NH2 3Å; R63-F130 CarbonylContact C-O 3.58Å; R63-F130 WeakPolarHBondContact CA-O 3.27Å; R63-E131 HydrophobicContact CB-CG 4.31Å; R63-E131 HydrophobicContact CG-CG 4.24Å; R63-E131 IonicContact CZ-OE1 3.42Å; R63-E131 IonicContact NE-OE1 3.15Å; R63-E131 PolarHBondContact NE-OE1 3.3Å; R63-E131 VanDerWaalsContact NE-OE1 3.15Å; R63-E131 IonicContact NH2-OE1 2.83Å; R63-E131 PolarHBondContact NH2-OE1 3.06Å
64V98.6Very high96.5Very high1 Ų167.5 Ų67.51%0.00634%0.339CS..EExtended strand (participates in β ladder)trans-128.2130.4-177.2-175.40000109G35 L36 V66 A102 R105 A106 F130 V132G35-V64 WeakPolarHBondContact O-CA 3.45Å; L36-V64 HydrophobicContact CD1-CG2 4.17Å; L36-V64 HydrophobicContact CG-CG2 4.11Å; V64-V66 HydrophobicContact CG1-CG2 4.22Å; V64-A102 HydrophobicContact CB-CB 4.14Å; V64-A102 HydrophobicContact CG1-CB 4.08Å; V64-R105 HydrophobicContact CG1-CB 4.1Å; V64-A106 HydrophobicContact CG2-CB 4.08Å; V64-F130 PolarHBondContact N-O 3.31Å; V64-F130 PolarHBondContact O-N 3.48Å; V64-V132 HydrophobicContact CG2-CG2 4.17Å
65R98.2Very high96.5Very high64 Ų6465.2 Ų65.224%0.24233%0.332CS..EExtended strand (participates in β ladder)trans-96.3136.3168.480.8-170178.8-174.32.4110.7R31 L33 G35 R105 Y127 K128 F129R31-R65 PolarHBondContact O-NH1 2.78Å; L33-R65 PolarHBondContact O-NH1 2.9Å; G35-R65 PolarHBondContact O-N 3.1Å; R65-R105 PolarHBondContact O-NH1 3.14Å; R65-Y127 HydrophobicContact CB-CD1 4.34Å; R65-Y127 HydrophobicContact CG-CD1 4.07Å; R65-Y127 HydrophobicContact CG-CE1 4.35Å; R65-K128 WeakPolarHBondContact CA-O 3.48Å; R65-F129 HydrophobicContact CB-CD1 3.57Å; R65-F129 HydrophobicContact CB-CE1 3.54Å
66V98.1Very high96.5Very high4 Ų464.7 Ų64.72%0.02433%0.327CS..EExtended strand (participates in β ladder)trans-126.7131.7176.1-173.30000108.6V64 R68 L98 T101 A102 Y127 K128 F130V64-V66 HydrophobicContact CG1-CG2 4.22Å; V66-R68 PolarHBondContact O-N 2.95Å; V66-L98 HydrophobicContact CG1-CB 4.3Å; V66-L98 HydrophobicContact CG1-CD2 3.8Å; V66-T101 HydrophobicContact CG1-CG2 4.22Å; V66-A102 HydrophobicContact CG2-CB 3.68Å; V66-Y127 CarbonylContact O-C 3.6Å; V66-Y127 WeakPolarHBondContact O-CA 3.3Å; V66-K128 PolarHBondContact N-O 3.48Å; V66-K128 PolarHBondContact O-N 3.21Å; V66-F130 HydrophobicContact CG2-CD2 4.4Å
67R97.5Very high96.5Very high170 Ų17072.6 Ų72.664%0.64236%0.361SS*.EExtended strand (participates in β ladder)trans-63.6135.8178.7-165.2170.5173144.7-2.7109.7T126 Y127R67-T126 CarbonylContact C-O 3.49Å; R67-T126 WeakPolarHBondContact CA-O 3.09Å; R67-T126 HydrophobicContact CG-CG2 4.43Å; R67-Y127 HydrophobicContact CB-CD1 4.25Å; R67-Y127 HydrophobicContact CB-CE1 4.1Å; R67-Y127 HydrophobicContact CG-CE1 4.39Å
68R97.1Very high96.4Very high95 Ų9567.6 Ų67.636%0.35835%0.345SS..  trans-74.5161.8175.7-72.5178.267179.3-0.7110.6V66 D124 T126 K128V66-R68 PolarHBondContact O-N 2.95Å; R68-D124 WeakPolarHBondContact CD-O 3.28Å; R68-D124 PolarHBondContact NH1-O 3.18Å; R68-T126 WeakPolarHBondContact CB-O 3.4Å; R68-T126 PolarHBondContact N-O 3.43Å; R68-K128 HydrophobicContact CG-CD 4.4Å; R68-K128 HydrophobicContact CG-CG 3.74Å
69G94.7Very high96.4Very high63 Ų6368.7 Ų68.765%0.64935%0.354SS*.SBendtrans104-178175.100000113.7
70G93.4Very high96.2Very high45 Ų4569.2 Ų69.246%0.46436%0.359SS..  trans-76.8178.9171.400000111.7
71R92.6Very high96Very high156 Ų15678.2 Ų78.259%0.58939%0.392SS*.  trans-117117.8174.1-173.2175.2179.5-177.8-0.9108I92R71-I92 PolarHBondContact N-O 2.88Å
72K94.3Very high95.9Very high120 Ų12080.2 Ų80.252%0.52241%0.413SS..  trans-57.5140.2170.9-169.9-175.1175.4179.60109.1V89K72-V89 WeakPolarHBondContact CA-O 3.24Å; K72-V89 HydrophobicContact CD-CG1 4.03Å; K72-V89 HydrophobicContact CG-CG1 3.52Å
73R95.5Very high95.8Very high81 Ų8185.8 Ų85.831%0.30644%0.438SS..  trans-59.6129.3169.4-175.3179-73.2-173.65.3109.2V75 H86 V89 I92R73-V75 VanDerWaalsContact C-N 3.27Å; R73-V75 HydrophobicContact CB-CG2 4.34Å; R73-V75 HydrophobicContact CG-CG1 3.92Å; R73-V75 HydrophobicContact CG-CG2 4.2Å; R73-V75 PolarHBondContact O-N 3.27Å; R73-H86 PolarHBondContact NH1-O 3.06Å; R73-V89 HydrophobicContact CB-CG1 4.36Å; R73-V89 PolarHBondContact N-O 3.15Å; R73-I92 HydrophobicContact CB-CD1 3.87Å
74P95.6Very high95.7Very high111 Ų11189.9 Ų89.972%0.72147%0.468SS*.  trans-77.978.5-179.832.8-34.7000109.9
75V96.5Very high95.7Very high33 Ų3395.5 Ų95.520%0.250%0.502CS..  trans-123.2133.4176.2-76.60000110.6R73 K77 G78 T80 V89R73-V75 VanDerWaalsContact C-N 3.27Å; R73-V75 HydrophobicContact CB-CG2 4.34Å; R73-V75 HydrophobicContact CG-CG1 3.92Å; R73-V75 HydrophobicContact CG-CG2 4.2Å; R73-V75 PolarHBondContact O-N 3.27Å; V75-K77 PolarHBondContact O-N 2.84Å; V75-G78 PolarHBondContact O-N 2.84Å; V75-T80 HydrophobicContact CG1-CG2 4.26Å; V75-T80 HydrophobicContact CG2-CG2 4.31Å; V75-V89 HydrophobicContact CG2-CG1 4.16Å; V75-V89 HydrophobicContact CG2-CG2 3.83Å
76P95.8Very high95.5Very high109 Ų10997.4 Ų97.471%0.70851%0.513SS*.G310 helixtrans-58.2131173.7-22.133.3000110.6G78 A79P76-G78 PolarHBondContact O-N 2.8Å; P76-A79 PolarHBondContact O-N 3.45Å
77K95.3Very high95.4Very high220 Ų220101.7 Ų101.796%0.95753%0.533SS*.G310 helixtrans52.712.3177.5-57.3-178.6179.9-179.70116.1V75 A79V75-K77 PolarHBondContact O-N 2.84Å; K77-A79 VanDerWaalsContact C-N 3.32Å
78G94.3Very high95.3Very high29 Ų2995.7 Ų95.730%0.29952%0.523SS..G310 helixtrans823-174.500000115V75 P76 T80V75-G78 PolarHBondContact O-N 2.84Å; P76-G78 PolarHBondContact O-N 2.8Å; G78-T80 PolarHBondContact O-N 3.02Å
79A95.5Very high95.3Very high32 Ų3292 Ų9226%0.26451%0.512SS..  trans-80.2115.4-176.500000111.6P76 K77 Y81P76-A79 PolarHBondContact O-N 3.45Å; K77-A79 VanDerWaalsContact C-N 3.32Å; A79-Y81 HydrophobicContact CB-CD2 4.22Å; A79-Y81 HydrophobicContact CB-CE1 4.2Å; A79-Y81 HydrophobicContact CB-CE2 3.53Å
80T94.8Very high95.3Very high31 Ų3194.8 Ų94.819%0.1951%0.512CS..  trans-103.5-12.7-179.259.70000114.3V75 G78 G82 H87 V89V75-T80 HydrophobicContact CG1-CG2 4.26Å; V75-T80 HydrophobicContact CG2-CG2 4.31Å; G78-T80 PolarHBondContact O-N 3.02Å; T80-G82 PolarHBondContact O-N 3.03Å; T80-H87 WeakPolarHBondContact OG1-CA 3.47Å; T80-H87 PolarHBondContact OG1-CD2 3.23Å; T80-V89 HydrophobicContact CG2-CG2 4.28Å
81Y93.6Very high95.3Very high213 Ų213101 Ų10184%0.83553%0.529SS*.  trans45.664.2177.4-52.5-76.7000114.4A79A79-Y81 HydrophobicContact CB-CD2 4.22Å; A79-Y81 HydrophobicContact CB-CE1 4.2Å; A79-Y81 HydrophobicContact CB-CE2 3.53Å
82G95.2Very high95.4Very high45 Ų4596.5 Ų96.546%0.46452%0.516SS..SBendtrans-166.4-164.7-179.300000113.4T80 H87T80-G82 PolarHBondContact O-N 3.03Å; G82-H87 PolarHBondContact O-NE2 3.01Å
83K97.3Very high95.5Very high159 Ų15998.6 Ų98.669%0.69153%0.525SS*.  trans-60.4146.3177-63.2-175.8178.5-175.20111.2V85 H86 H87K83-V85 HydrophobicContact CB-CG1 4.11Å; K83-V85 PolarHBondContact O-N 3.4Å; K83-H86 PolarHBondContact O-N 3.29Å; K83-H87 PolarHBondContact O-CD2 2.67Å; K83-H87 VanDerWaalsContact O-CD2 3.3Å
84P96.9Very high95.4Very high107 Ų10798.8 Ų98.870%0.69553%0.528SS*.G310 helixtrans-51.8-34.6-177.4-30.736.2000115H86 H87P84-H86 PolarHBondContact O-N 3.14Å; P84-H87 WeakPolarHBondContact O-CB 3.47Å; P84-H87 PolarHBondContact O-N 3.26Å
85V96.8Very high95.3Very high119 Ų11997.7 Ų97.772%0.72153%0.528SS*.G310 helixtrans-56.6-23.8175.967.60000113.7K83K83-V85 HydrophobicContact CB-CG1 4.11Å; K83-V85 PolarHBondContact O-N 3.4Å
86H95.7Very high95.3Very high103 Ų103100.3 Ų100.348%0.47753%0.534SS..G310 helixtrans-98.71.5180-59.8-47.6000113.8R73 K83 P84 G88R73-H86 PolarHBondContact NH1-O 3.06Å; K83-H86 PolarHBondContact O-N 3.29Å; P84-H86 PolarHBondContact O-N 3.14Å; H86-G88 VanDerWaalsContact C-N 3.27Å; H86-G88 PolarHBondContact O-N 3.4Å
87H95.7Very high95.3Very high95 Ų9597.2 Ų97.244%0.4452%0.515SS..  trans-76.3-7.3-177.3-69.5-169.4000114.4T80 G82 K83 P84 V89T80-H87 WeakPolarHBondContact OG1-CA 3.47Å; T80-H87 PolarHBondContact OG1-CD2 3.23Å; G82-H87 PolarHBondContact O-NE2 3.01Å; K83-H87 PolarHBondContact O-CD2 2.67Å; K83-H87 VanDerWaalsContact O-CD2 3.3Å; P84-H87 WeakPolarHBondContact O-CB 3.47Å; P84-H87 PolarHBondContact O-N 3.26Å; H87-V89 WeakPolarHBondContact O-CG2 3.39Å; H87-V89 PolarHBondContact O-N 2.73Å
88G95.7Very high95.4Very high43 Ų4389 Ų8944%0.44348%0.482SS..  trans-62.4128.3178.600000113.5H86 I92H86-G88 VanDerWaalsContact C-N 3.27Å; H86-G88 PolarHBondContact O-N 3.4Å; G88-I92 WeakPolarHBondContact O-CD1 3.32Å
89V95.9Very high95.6Very high19 Ų1990 Ų9012%0.11548%0.479CS..  trans-120.2-47.8-177.7176.90000113.6K72 R73 V75 T80 H87K72-V89 WeakPolarHBondContact CA-O 3.24Å; K72-V89 HydrophobicContact CD-CG1 4.03Å; K72-V89 HydrophobicContact CG-CG1 3.52Å; R73-V89 HydrophobicContact CB-CG1 4.36Å; R73-V89 PolarHBondContact N-O 3.15Å; V75-V89 HydrophobicContact CG2-CG1 4.16Å; V75-V89 HydrophobicContact CG2-CG2 3.83Å; T80-V89 HydrophobicContact CG2-CG2 4.28Å; H87-V89 WeakPolarHBondContact O-CG2 3.39Å; H87-V89 PolarHBondContact O-N 2.73Å
90N94.6Very high95.7Very high121 Ų12188.5 Ų88.565%0.64747%0.466SS*.SBendtrans-89.2-40.9-165-67.6-25.2000114.6I92N90-I92 VanDerWaalsContact C-N 3.27Å; N90-I92 PolarHBondContact O-N 3.04Å
91Q94.9Very high95.9Very high176 Ų17688.2 Ų88.282%0.82246%0.464SS*.SBendtrans-87.812.4-170.7-64.1-175.8-2.500114.2
92I94.5Very high96.1Very high61 Ų6178 Ų7831%0.31343%0.425SS..PPolyproline II helixtrans-70.9133.5-179.3-63.6165.1000110.9R71 R73 G88 N90R71-I92 PolarHBondContact N-O 2.88Å; R73-I92 HydrophobicContact CB-CD1 3.87Å; G88-I92 WeakPolarHBondContact O-CD1 3.32Å; N90-I92 VanDerWaalsContact C-N 3.27Å; N90-I92 PolarHBondContact O-N 3.04Å
93K94.8Very high96.3Very high164 Ų16476 Ų7671%0.71340%0.403SS*.PPolyproline II helixtrans-101.1141.6174.3-51.3-57176.6-178.20110
94F94.8Very high96.3Very high85 Ų8568.7 Ų68.737%0.37337%0.371SS..PPolyproline II helixtrans-74.6138.6177.9-169.3-129.4000110.7R96F94-R96 VanDerWaalsContact C-N 3.26Å; F94-R96 HydrophobicContact CD1-CB 4.01Å; F94-R96 WeakPolarHBondContact CD1-O 3.22Å; F94-R96 HydrophobicContact CE1-CB 3.69Å; F94-R96 HydrophobicContact CE1-CG 4.25Å; F94-R96 HydrophobicContact CZ-CB 4.43Å; F94-R96 VanDerWaalsContact CZ-NE 3.26Å; F94-R96 PolarHBondContact O-N 2.9Å
95A93.4Very high96.4Very high88 Ų8869.2 Ų69.273%0.72736%0.359SS*.SBendtrans-65-27.6-176.100000113.7S171A95-S171 WeakPolarHBondContact O-CB 3.44Å
96R95.3Very high96.4Very high87 Ų8763.5 Ų63.533%0.32833%0.325SS..SBendtrans-101.7152.8-179.2-57.2177.5-63.9175.219.4110.8F94 E104F94-R96 VanDerWaalsContact C-N 3.26Å; F94-R96 HydrophobicContact CD1-CB 4.01Å; F94-R96 WeakPolarHBondContact CD1-O 3.22Å; F94-R96 HydrophobicContact CE1-CB 3.69Å; F94-R96 HydrophobicContact CE1-CG 4.25Å; F94-R96 HydrophobicContact CZ-CB 4.43Å; F94-R96 VanDerWaalsContact CZ-NE 3.26Å; F94-R96 PolarHBondContact O-N 2.9Å; R96-E104 VanDerWaalsContact CZ-CD 3.48Å; R96-E104 IonicContact CZ-OE1 3.62Å; R96-E104 IonicContact CZ-OE2 3.06Å; R96-E104 IonicContact NE-OE1 3.36Å; R96-E104 IonicContact NH1-OE1 2.74Å; R96-E104 PolarHBondContact NH1-OE1 2.9Å; R96-E104 IonicContact NH1-OE2 2.72Å; R96-E104 PolarHBondContact NH1-OE2 3.23Å; R96-E104 IonicContact NH2-OE1 3.73Å; R96-E104 PolarHBondContact NH2-OE1 3.07Å; R96-E104 IonicContact NH2-OE2 3.49Å; R96-E104 PolarHBondContact NH2-OE2 3.22Å
97S96.4Very high96.5Very high44 Ų4458.7 Ų58.731%0.30830%0.303SS..  trans-68.1154.7176.367.60000112.2Q99 S100 T101S97-Q99 PolarHBondContact O-N 3.43Å; S97-S100 WeakPolarHBondContact O-CB 3.46Å; S97-S100 PolarHBondContact O-N 3.02Å; S97-S100 VanDerWaalsContact O-N 3.17Å; S97-S100 PolarHBondContact OG-N 3.34Å; S97-S100 VanDerWaalsContact OG-N 3.1Å; S97-T101 PolarHBondContact O-N 2.71Å; S97-T101 PolarHBondContact O-OG1 2.88Å
98L97.9Very high96.6Very high48 Ų4862 Ų6225%0.25131%0.311SS..Hα-helixtrans-59.8-31.9172-63.9174.8000111.6V66 T101 A102 K128 F130V66-L98 HydrophobicContact CG1-CB 4.3Å; V66-L98 HydrophobicContact CG1-CD2 3.8Å; L98-T101 WeakPolarHBondContact O-CB 3.33Å; L98-T101 PolarHBondContact O-N 3.42Å; L98-A102 PolarHBondContact O-N 3.09Å; L98-K128 HydrophobicContact CD1-CD 3.87Å; L98-F130 HydrophobicContact CB-CE2 4.17Å; L98-F130 HydrophobicContact CB-CZ 4.32Å
99Q98.2Very high96.7Very high50 Ų5066 Ų6623%0.23432%0.318CS..Hα-helixtrans-64.8-44.7174.8-173.3176.75.100112S97 T101 A102 E103 S118 F130 A167S97-Q99 PolarHBondContact O-N 3.43Å; Q99-T101 VanDerWaalsContact C-N 3.26Å; Q99-T101 PolarHBondContact O-N 3.36Å; Q99-A102 WeakPolarHBondContact O-CB 3.41Å; Q99-A102 PolarHBondContact O-N 3.31Å; Q99-A102 VanDerWaalsContact O-N 3.14Å; Q99-E103 PolarHBondContact O-N 2.93Å; Q99-S118 WeakPolarHBondContact CG-OG 3.38Å; Q99-S118 VanDerWaalsContact NE2-C 3.27Å; Q99-S118 PolarHBondContact NE2-O 3.33Å; Q99-S118 PolarHBondContact NE2-OG 3.14Å; Q99-F130 HydrophobicContact CB-CD1 4.07Å; Q99-F130 HydrophobicContact CB-CE1 3.66Å; Q99-F130 HydrophobicContact CB-CZ 3.95Å; Q99-F130 HydrophobicContact CG-CD1 3.84Å; Q99-F130 HydrophobicContact CG-CE1 3.89Å; Q99-A167 HydrophobicContact CB-CB 4.13Å; Q99-A167 HydrophobicContact CG-CB 3.78Å
100S98Very high96.7Very high1 Ų165.6 Ų65.61%0.00732%0.316CS..Hα-helixtrans-61.5-37.9173.2-170.80000111.3S97 A102 E103 E104S97-S100 WeakPolarHBondContact O-CB 3.46Å; S97-S100 PolarHBondContact O-N 3.02Å; S97-S100 VanDerWaalsContact O-N 3.17Å; S97-S100 PolarHBondContact OG-N 3.34Å; S97-S100 VanDerWaalsContact OG-N 3.1Å; S100-A102 VanDerWaalsContact C-N 3.31Å; S100-A102 PolarHBondContact O-N 3Å; S100-E103 PolarHBondContact O-N 2.91Å; S100-E104 WeakPolarHBondContact O-CG 3.38Å; S100-E104 PolarHBondContact O-N 3.08Å; S100-E104 PolarHBondContact OG-OE1 3.49Å
101T97.9Very high96.7Very high24 Ų2461.7 Ų61.715%0.14731%0.305CS..Hα-helixtrans-64.9-36.4175.8-550000111.6V66 S97 L98 Q99 R105V66-T101 HydrophobicContact CG1-CG2 4.22Å; S97-T101 PolarHBondContact O-N 2.71Å; S97-T101 PolarHBondContact O-OG1 2.88Å; L98-T101 WeakPolarHBondContact O-CB 3.33Å; L98-T101 PolarHBondContact O-N 3.42Å; Q99-T101 VanDerWaalsContact C-N 3.26Å; Q99-T101 PolarHBondContact O-N 3.36Å; T101-R105 WeakPolarHBondContact O-CG 3.31Å; T101-R105 PolarHBondContact O-N 3.46Å
102A98.4Very high96.7Very high0 Ų055.7 Ų55.70%029%0.29CS..Hα-helixtrans-65.1-44.1174.100000111.9V64 V66 L98 Q99 S100 E104 R105 A106 F130V64-A102 HydrophobicContact CB-CB 4.14Å; V64-A102 HydrophobicContact CG1-CB 4.08Å; V66-A102 HydrophobicContact CG2-CB 3.68Å; L98-A102 PolarHBondContact O-N 3.09Å; Q99-A102 WeakPolarHBondContact O-CB 3.41Å; Q99-A102 PolarHBondContact O-N 3.31Å; Q99-A102 VanDerWaalsContact O-N 3.14Å; S100-A102 VanDerWaalsContact C-N 3.31Å; S100-A102 PolarHBondContact O-N 3Å; A102-E104 VanDerWaalsContact C-N 3.35Å; A102-E104 PolarHBondContact O-N 2.88Å; A102-R105 PolarHBondContact O-N 2.93Å; A102-A106 PolarHBondContact O-N 3.05Å; A102-F130 HydrophobicContact CB-CB 3.93Å; A102-F130 HydrophobicContact CB-CD2 3.66Å; A102-F130 HydrophobicContact CB-CG 4.02Å
103E98.6Very high96.8Very high1 Ų154.3 Ų54.31%0.00528%0.283CS..Hα-helixtrans-59.5-44.2175.6-70.4175.3171.900111.7Q99 S100 A106 G107 V115 S118 V132 E160 T165Q99-E103 PolarHBondContact O-N 2.93Å; S100-E103 PolarHBondContact O-N 2.91Å; E103-A106 PolarHBondContact O-N 3.28Å; E103-G107 PolarHBondContact O-N 3.03Å; E103-V115 HydrophobicContact CB-CG1 4.18Å; E103-V115 HydrophobicContact CG-CG1 4.09Å; E103-S118 WeakPolarHBondContact CG-OG 3.29Å; E103-S118 WeakPolarHBondContact OE1-CB 3.42Å; E103-S118 PolarHBondContact OE1-OG 3.06Å; E103-V132 HydrophobicContact CG-CG1 4.37Å; E103-V132 HydrophobicContact CG-CG2 4.49Å; E103-E160 HydrophobicContact CB-CB 4.02Å; E103-T165 WeakPolarHBondContact OE2-CB 3.43Å; E103-T165 WeakPolarHBondContact OE2-CG2 3.28Å; E103-T165 PolarHBondContact OE2-OG1 3.34Å
104E98.2Very high97Very high7 Ų747.4 Ų47.43%0.03325%0.253CS..Hα-helixtrans-65-39.5177.3-73.6169.4-140.500112.8R96 S100 A102 G107 R108 E160R96-E104 VanDerWaalsContact CZ-CD 3.48Å; R96-E104 IonicContact CZ-OE1 3.62Å; R96-E104 IonicContact CZ-OE2 3.06Å; R96-E104 IonicContact NE-OE1 3.36Å; R96-E104 IonicContact NH1-OE1 2.74Å; R96-E104 PolarHBondContact NH1-OE1 2.9Å; R96-E104 IonicContact NH1-OE2 2.72Å; R96-E104 PolarHBondContact NH1-OE2 3.23Å; R96-E104 IonicContact NH2-OE1 3.73Å; R96-E104 PolarHBondContact NH2-OE1 3.07Å; R96-E104 IonicContact NH2-OE2 3.49Å; R96-E104 PolarHBondContact NH2-OE2 3.22Å; S100-E104 WeakPolarHBondContact O-CG 3.38Å; S100-E104 PolarHBondContact O-N 3.08Å; S100-E104 PolarHBondContact OG-OE1 3.49Å; A102-E104 VanDerWaalsContact C-N 3.35Å; A102-E104 PolarHBondContact O-N 2.88Å; E104-G107 PolarHBondContact O-N 3.3Å; E104-R108 WeakPolarHBondContact O-CB 3.48Å; E104-R108 VanDerWaalsContact O-CG 3.3Å; E104-R108 WeakPolarHBondContact O-CG 3.29Å; E104-R108 PolarHBondContact O-N 3.33Å; E104-E160 HydrophobicContact CG-CG 4.39Å
105R98.3Very high97.1Very high117 Ų11743.4 Ų43.444%0.44224%0.235SC..Hα-helixtrans-61.9-45.8174.4-74.2175.5-179.8-162.3-6.1111.1L36 V64 R65 T101 A102 H109L36-R105 HydrophobicContact CD1-CB 4.47Å; L36-R105 WeakPolarHBondContact CD1-O 3.45Å; V64-R105 HydrophobicContact CG1-CB 4.1Å; R65-R105 PolarHBondContact O-NH1 3.14Å; T101-R105 WeakPolarHBondContact O-CG 3.31Å; T101-R105 PolarHBondContact O-N 3.46Å; A102-R105 PolarHBondContact O-N 2.93Å; R105-H109 PolarHBondContact O-N 2.9Å; R105-H109 VanDerWaalsContact O-N 3.13Å
106A98.1Very high97.3Very high0 Ų040.5 Ų40.50%021%0.207CC..Hα-helixtrans-61.4-47.8175.700000112.2V64 A102 E103 R108 H109 C110 V132 L134V64-A106 HydrophobicContact CG2-CB 4.08Å; A102-A106 PolarHBondContact O-N 3.05Å; E103-A106 PolarHBondContact O-N 3.28Å; A106-R108 VanDerWaalsContact C-N 3.35Å; A106-R108 PolarHBondContact O-N 3.4Å; A106-H109 PolarHBondContact O-N 3.06Å; A106-C110 WeakPolarHBondContact O-CB 3.41Å; A106-C110 PolarHBondContact O-N 2.77Å; A106-V132 HydrophobicContact CB-CB 3.99Å; A106-V132 HydrophobicContact CB-CG1 3.92Å; A106-V132 HydrophobicContact CB-CG2 3.96Å; A106-L134 HydrophobicContact CB-CD1 4.46Å
107G97.6Very high97.5Very high1 Ų136.8 Ų36.81%0.0120%0.195CC..Hα-helixtrans-65.9-32.5-179.200000113.9E103 E104 C110E103-G107 PolarHBondContact O-N 3.03Å; E104-G107 PolarHBondContact O-N 3.3Å; G107-C110 CarbonylContact O-C 3.56Å
108R97.4Very high97.6Very high165 Ų16534.9 Ų34.962%0.62318%0.182SC*.Hα-helixtrans-70.1-45.2173.1-74.1178.8-172.9166.61.3112.3E104 A106 M161E104-R108 WeakPolarHBondContact O-CB 3.48Å; E104-R108 VanDerWaalsContact O-CG 3.3Å; E104-R108 WeakPolarHBondContact O-CG 3.29Å; E104-R108 PolarHBondContact O-N 3.33Å; A106-R108 VanDerWaalsContact C-N 3.35Å; A106-R108 PolarHBondContact O-N 3.4Å; R108-M161 HydrophobicContact CB-CE 4.43Å; R108-M161 HydrophobicContact CG-CE 3.43Å; R108-M161 VanDerWaalsContact CG-CE 3.43Å; R108-M161 HydrophobicContact CG-SD 4.49Å
109H97.2Very high97.6Very high127 Ų12732.8 Ų32.859%0.58817%0.17SC*.Hα-helixtrans-68.4-41.2179.7-173.378000111.6L36 R105 A106 G111L36-H109 HydrophobicContact CD1-CB 3.65Å; L36-H109 HydrophobicContact CD2-CB 4.06Å; L36-H109 WeakPolarHBondContact CD2-CD2 3.37Å; R105-H109 PolarHBondContact O-N 2.9Å; R105-H109 VanDerWaalsContact O-N 3.13Å; A106-H109 PolarHBondContact O-N 3.06Å; H109-G111 PolarHBondContact O-N 2.74Å
110C96.3Very high97.6Very high11 Ų1132.9 Ų32.97%0.07417%0.169CC..THydrogen-bonded Turntrans-100.159.6180-60.20000111.4A106 G107 G112 L113 L134A106-C110 WeakPolarHBondContact O-CB 3.41Å; A106-C110 PolarHBondContact O-N 2.77Å; G107-C110 CarbonylContact O-C 3.56Å; C110-G112 PolarHBondContact O-N 3.49Å; C110-G112 VanDerWaalsContact O-N 3.14Å; C110-L113 HydrophobicContact CB-CB 4.08Å; C110-L113 HydrophobicContact CB-CD1 3.89Å; C110-L113 HydrophobicContact CB-CG 4.11Å; C110-L113 PolarHBondContact O-N 2.72Å; C110-L134 HydrophobicContact CB-CD1 4.38Å; C110-L134 HydrophobicContact CB-CD2 4.37Å
111G93.8Very high97.6Very high39 Ų3932.8 Ų32.840%0.40217%0.168SC..THydrogen-bonded Turntrans-57.1-30.9-172.200000115.2H109 L113H109-G111 PolarHBondContact O-N 2.74Å; G111-L113 VanDerWaalsContact C-N 3.33Å
112G94.8Very high97.5Very high50 Ų5031.7 Ų31.752%0.51516%0.161SC..THydrogen-bonded Turntrans-76.3-15176.400000114.9C110C110-G112 PolarHBondContact O-N 3.49Å; C110-G112 VanDerWaalsContact O-N 3.14Å
113L97.6Very high97.5Very high32 Ų3235 Ų3517%0.16818%0.177CC..EExtended strand (participates in β ladder)trans-98.5164.8-177.8-56.5-176.7000111.8V60 C110 G111 L134 D136V60-L113 HydrophobicContact CG2-CD1 3.47Å; V60-L113 VanDerWaalsContact CG2-CD1 3.47Å; C110-L113 HydrophobicContact CB-CB 4.08Å; C110-L113 HydrophobicContact CB-CD1 3.89Å; C110-L113 HydrophobicContact CB-CG 4.11Å; C110-L113 PolarHBondContact O-N 2.72Å; G111-L113 VanDerWaalsContact C-N 3.33Å; L113-L134 HydrophobicContact CB-CB 4.19Å; L113-L134 HydrophobicContact CB-CD2 3.99Å; L113-L134 HydrophobicContact CD1-CB 4.03Å; L113-L134 HydrophobicContact CD1-CD1 4.39Å; L113-D136 HydrophobicContact CD2-CB 3.71Å
114R98.3Very high97.4Very high19 Ų1936 Ų367%0.07218%0.182CC..EExtended strand (participates in β ladder)trans-111.5125.3174.4-69.5-74179.6-116.1-9.7111.1L116 L134 I135 T137 I151 H156 K157R114-L116 PolarHBondContact O-N 3.47Å; R114-L134 CarbonylContact O-C 3.51Å; R114-L134 VanDerWaalsContact O-CA 3.27Å; R114-L134 WeakPolarHBondContact O-CA 2.97Å; R114-I135 PolarHBondContact N-O 3.3Å; R114-I135 PolarHBondContact O-N 3.44Å; R114-T137 HydrophobicContact CB-CG2 4.14Å; R114-T137 HydrophobicContact CG-CG2 3.23Å; R114-I151 HydrophobicContact CB-CD1 3.77Å; R114-I151 HydrophobicContact CB-CG1 3.95Å; R114-I151 HydrophobicContact CG-CG1 4.28Å; R114-H156 WeakPolarHBondContact CD-O 3.41Å; R114-K157 VanDerWaalsContact CZ-CB 3.46Å; R114-K157 VanDerWaalsContact NH1-CB 3.28Å
115V98.4Very high97.2Very high0 Ų040.3 Ų40.30%021%0.213CC..EExtended strand (participates in β ladder)trans-66.3122169.7178.20000109E103 V132 L134 R159 E160 T165E103-V115 HydrophobicContact CB-CG1 4.18Å; E103-V115 HydrophobicContact CG-CG1 4.09Å; V115-V132 HydrophobicContact CG1-CG1 3.8Å; V115-V132 HydrophobicContact CG2-CG1 4.24Å; V115-L134 HydrophobicContact CB-CD2 4.39Å; V115-L134 HydrophobicContact CG2-CD2 3.63Å; V115-R159 WeakPolarHBondContact O-CD 3.33Å; V115-E160 HydrophobicContact CB-CB 4.23Å; V115-E160 HydrophobicContact CB-CG 4.48Å; V115-E160 HydrophobicContact CG1-CB 4.41Å; V115-E160 HydrophobicContact CG2-CB 4.14Å; V115-E160 HydrophobicContact CG2-CG 3.94Å; V115-T165 HydrophobicContact CG1-CG2 3.97Å
116L97.8Very high97.2Very high28 Ų2837 Ų3715%0.14721%0.206CC..EExtended strand (participates in β ladder)trans-87.2-59.1171.6176.567.5000110.2L51 Y59 R114 I133 I135 W150 I151L51-L116 WeakPolarHBondContact O-CD2 3.45Å; Y59-L116 HydrophobicContact CE1-CD2 3.99Å; R114-L116 PolarHBondContact O-N 3.47Å; L116-I133 HydrophobicContact CB-CB 4.38Å; L116-I133 HydrophobicContact CB-CG2 4.18Å; L116-I133 HydrophobicContact CD2-CG2 3.98Å; L116-I133 PolarHBondContact N-O 3.4Å; L116-I135 HydrophobicContact CB-CD1 4.07Å; L116-I135 HydrophobicContact CB-CG1 4.29Å; L116-I135 HydrophobicContact CD1-CD1 4.18Å; L116-I135 HydrophobicContact CD2-CD1 4.06Å; L116-I135 HydrophobicContact CG-CD1 4.32Å; L116-W150 HydrophobicContact CD1-CZ2 4.06Å; L116-I151 HydrophobicContact CB-CD1 4.36Å; L116-I151 HydrophobicContact CD1-CD1 4.12Å
117A98.1Very high97.2Very high8 Ų839.8 Ų39.87%0.06622%0.217CC..EExtended strand (participates in β ladder)trans-162.9176.5-174.900000110.1L51 I133L51-A117 HydrophobicContact CB-CB 3.93Å; L51-A117 HydrophobicContact CD1-CB 4.4Å; L51-A117 HydrophobicContact CD2-CB 4.34Å; L51-A117 HydrophobicContact CG-CB 4.46Å; A117-I133 HydrophobicContact CB-CD1 4.46Å; A117-I133 PolarHBondContact O-N 2.89Å
118S98.4Very high97.2Very high5 Ų542.2 Ų42.24%0.03523%0.227CC..EExtended strand (participates in β ladder)trans-145.4164.2174.463.60000111.7L51 Q99 E103 E131L51-S118 VanDerWaalsContact CD1-O 3.3Å; L51-S118 WeakPolarHBondContact CD1-O 3.36Å; Q99-S118 WeakPolarHBondContact CG-OG 3.38Å; Q99-S118 VanDerWaalsContact NE2-C 3.27Å; Q99-S118 PolarHBondContact NE2-O 3.33Å; Q99-S118 PolarHBondContact NE2-OG 3.14Å; E103-S118 WeakPolarHBondContact CG-OG 3.29Å; E103-S118 WeakPolarHBondContact OE1-CB 3.42Å; E103-S118 PolarHBondContact OE1-OG 3.06Å; S118-E131 CarbonylContact C-O 3.54Å; S118-E131 WeakPolarHBondContact CA-O 3.42Å; S118-E131 WeakPolarHBondContact CB-O 3.5Å
119Y98.5Very high97.2Very high3 Ų334.5 Ų34.51%0.01220%0.198CC..EExtended strand (participates in β ladder)trans-148.9154.2173.754.4-87.4000112.6P42 R44 K47 A48 L51 V121 F130 E131 I133P42-Y119 WeakPolarHBondContact CB-OH 3.4Å; R44-Y119 HydrophobicContact CB-CD2 4.26Å; R44-Y119 HydrophobicContact CB-CE2 3.8Å; R44-Y119 HydrophobicContact CG-CE2 4.32Å; K47-Y119 HydrophobicContact CG-CD1 4.39Å; K47-Y119 HydrophobicContact CG-CD2 4.18Å; K47-Y119 HydrophobicContact CG-CG 3.83Å; A48-Y119 HydrophobicContact CB-CE1 3.74Å; L51-Y119 HydrophobicContact CD1-CD1 3.68Å; L51-Y119 HydrophobicContact CD1-CG 4.16Å; Y119-V121 HydrophobicContact CD2-CG1 3.65Å; Y119-V121 HydrophobicContact CE2-CG1 3.47Å; Y119-V121 VanDerWaalsContact CE2-CG1 3.47Å; Y119-F130 CarbonylContact O-C 3.53Å; Y119-F130 VanDerWaalsContact O-CA 3.29Å; Y119-F130 WeakPolarHBondContact O-CA 3.35Å; Y119-E131 HydrophobicContact CD2-CB 4.28Å; Y119-E131 HydrophobicContact CE1-CB 4.08Å; Y119-E131 HydrophobicContact CE2-CB 3.67Å; Y119-E131 HydrophobicContact CE2-CG 4.38Å; Y119-E131 WeakPolarHBondContact CE2-OE2 3.38Å; Y119-E131 PolarHBondContact N-O 3.41Å; Y119-E131 PolarHBondContact O-N 2.74Å; Y119-E131 PolarHBondContact OH-OE2 2.87Å; Y119-I133 HydrophobicContact CD1-CD1 4.23Å; Y119-I133 HydrophobicContact CE1-CD1 3.96Å; Y119-I133 HydrophobicContact CE1-CG1 4.01Å
120W98.1Very high97.3Very high52 Ų5228.9 Ų28.920%0.19717%0.172CC..EExtended strand (participates in β ladder)trans-72.8137.1175.3178.395.7000111.1W11 K14 L23 R44 G122 E123 F130W11-W120 HydrophobicContact CZ3-CZ3 4.09Å; K14-W120 HydrophobicContact CD-CH2 4.27Å; K14-W120 HydrophobicContact CD-CZ3 4.09Å; L23-W120 HydrophobicContact CD1-CH2 3.98Å; L23-W120 HydrophobicContact CD2-CH2 4.02Å; L23-W120 HydrophobicContact CD2-CZ3 4.33Å; R44-W120 PolarHBondContact NH1-O 2.99Å; W120-G122 VanDerWaalsContact CE2-C 3.44Å; W120-G122 VanDerWaalsContact CZ2-C 3.41Å; W120-G122 PolarHBondContact NE1-O 2.59Å; W120-E123 HydrophobicContact CZ2-CB 4.27Å; W120-E123 HydrophobicContact CZ2-CG 3.95Å; W120-E123 PolarHBondContact NE1-OE2 2.54Å; W120-F130 HydrophobicContact CB-CD1 4.18Å; W120-F130 HydrophobicContact CB-CE1 4.05Å
121V97.6Very high97.4Very high0 Ų028.4 Ų28.40%017%0.169CC..EExtended strand (participates in β ladder)trans-123.6-16.2179.5-65.40000114.3L23 Y30 Y119 F129 E131L23-V121 WeakPolarHBondContact CD2-O 3.43Å; Y30-V121 HydrophobicContact CE2-CG2 3.95Å; Y119-V121 HydrophobicContact CD2-CG1 3.65Å; Y119-V121 HydrophobicContact CE2-CG1 3.47Å; Y119-V121 VanDerWaalsContact CE2-CG1 3.47Å; V121-F129 HydrophobicContact CG2-CB 3.71Å; V121-F129 WeakPolarHBondContact CG2-O 3.42Å; V121-F129 PolarHBondContact N-O 2.8Å; V121-E131 HydrophobicContact CG1-CB 3.96Å; V121-E131 HydrophobicContact CG1-CG 3.72Å; V121-E131 HydrophobicContact CG2-CG 4.3Å
122G96.9Very high97.7Very high0 Ų026.5 Ų26.50%015%0.15CC..EExtended strand (participates in β ladder)trans174.6162.2179.900000111.3W120 F129W120-G122 VanDerWaalsContact CE2-C 3.44Å; W120-G122 VanDerWaalsContact CZ2-C 3.41Å; W120-G122 PolarHBondContact NE1-O 2.59Å; G122-F129 PolarHBondContact O-N 3.24Å
123E97.4Very high97.8Very high69 Ų6924.1 Ų24.132%0.32213%0.125SC..EExtended strand (participates in β ladder)trans-150.6153.3168.270.7-167-144.600111.2C27 W120 Y127 K128C27-E123 PolarHBondContact SG-O 3.44Å; C27-E123 VanDerWaalsContact SG-O 3.41Å; W120-E123 HydrophobicContact CZ2-CB 4.27Å; W120-E123 HydrophobicContact CZ2-CG 3.95Å; W120-E123 PolarHBondContact NE1-OE2 2.54Å; E123-Y127 WeakPolarHBondContact CA-O 3.4Å; E123-K128 HydrophobicContact CB-CB 4.4Å; E123-K128 HydrophobicContact CB-CG 3.73Å; E123-K128 IonicContact OE1-NZ 2.66Å; E123-K128 PolarHBondContact OE1-NZ 3.39Å; E123-K128 WeakPolarHBondContact OE2-CD 3.34Å; E123-K128 VanDerWaalsContact OE2-CE 3.24Å; E123-K128 WeakPolarHBondContact OE2-CE 3.31Å; E123-K128 WeakPolarHBondContact OE2-CG 3.26Å; E123-K128 IonicContact OE2-NZ 2.77Å; E123-K128 PolarHBondContact OE2-NZ 3.2Å
124D96Very high97.9Very high23 Ų2322.6 Ų22.612%0.12312%0.117CC..  trans-126.8-176.217164.153.1000108.7R31 R68 T126 Y127 F129R31-D124 IonicContact CZ-OD1 2.8Å; R31-D124 IonicContact CZ-OD2 3.2Å; R31-D124 IonicContact NE-OD1 3.83Å; R31-D124 IonicContact NE-OD2 2.71Å; R31-D124 PolarHBondContact NE-OD2 3.02Å; R31-D124 IonicContact NH2-OD1 3.41Å; R31-D124 PolarHBondContact NH2-OD1 3.22Å; R31-D124 IonicContact NH2-OD2 3.74Å; R31-D124 PolarHBondContact NH2-OD2 3.41Å; R68-D124 WeakPolarHBondContact CD-O 3.28Å; R68-D124 PolarHBondContact NH1-O 3.18Å; D124-T126 PolarHBondContact O-N 3.16Å; D124-T126 WeakPolarHBondContact OD1-CA 3.4Å; D124-T126 PolarHBondContact OD1-N 2.87Å; D124-Y127 PolarHBondContact N-O 2.77Å; D124-Y127 PolarHBondContact OD1-N 3.36Å; D124-F129 WeakPolarHBondContact OD2-CE2 3.43Å
125S95.4Very high97.9Very high98 Ų9821.8 Ų21.869%0.68511%0.114SC*.SBendtrans-56.5-34.1-178.455.40000114.1
126T96.6Very high97.8Very high48 Ų4824 Ų2429%0.29413%0.126SC..SBendtrans-102.5-31.6-171.4-43.40000113.1R31 R67 R68 D124R31-T126 PolarHBondContact NH2-OG1 3.33Å; R67-T126 CarbonylContact C-O 3.49Å; R67-T126 WeakPolarHBondContact CA-O 3.09Å; R67-T126 HydrophobicContact CG-CG2 4.43Å; R68-T126 WeakPolarHBondContact CB-O 3.4Å; R68-T126 PolarHBondContact N-O 3.43Å; D124-T126 PolarHBondContact O-N 3.16Å; D124-T126 WeakPolarHBondContact OD1-CA 3.4Å; D124-T126 PolarHBondContact OD1-N 2.87Å
127Y98.2Very high97.8Very high58 Ų5823 Ų2323%0.22712%0.121CC..EExtended strand (participates in β ladder)trans-131150.1-170.8-64.5-77.4000112.9R65 V66 R67 E123 D124R65-Y127 HydrophobicContact CB-CD1 4.34Å; R65-Y127 HydrophobicContact CG-CD1 4.07Å; R65-Y127 HydrophobicContact CG-CE1 4.35Å; V66-Y127 CarbonylContact O-C 3.6Å; V66-Y127 WeakPolarHBondContact O-CA 3.3Å; R67-Y127 HydrophobicContact CB-CD1 4.25Å; R67-Y127 HydrophobicContact CB-CE1 4.1Å; R67-Y127 HydrophobicContact CG-CE1 4.39Å; E123-Y127 WeakPolarHBondContact CA-O 3.4Å; D124-Y127 PolarHBondContact N-O 2.77Å; D124-Y127 PolarHBondContact OD1-N 3.36Å
128K98.3Very high97.7Very high52 Ų5230.1 Ų30.123%0.22615%0.151CC..EExtended strand (participates in β ladder)trans-111.2138.8161-75.1-175.9-170.4-114.30108.9R65 V66 R68 L98 E123 F130R65-K128 WeakPolarHBondContact CA-O 3.48Å; V66-K128 PolarHBondContact N-O 3.48Å; V66-K128 PolarHBondContact O-N 3.21Å; R68-K128 HydrophobicContact CG-CD 4.4Å; R68-K128 HydrophobicContact CG-CG 3.74Å; L98-K128 HydrophobicContact CD1-CD 3.87Å; E123-K128 HydrophobicContact CB-CB 4.4Å; E123-K128 HydrophobicContact CB-CG 3.73Å; E123-K128 IonicContact OE1-NZ 2.66Å; E123-K128 PolarHBondContact OE1-NZ 3.39Å; E123-K128 WeakPolarHBondContact OE2-CD 3.34Å; E123-K128 VanDerWaalsContact OE2-CE 3.24Å; E123-K128 WeakPolarHBondContact OE2-CE 3.31Å; E123-K128 WeakPolarHBondContact OE2-CG 3.26Å; E123-K128 IonicContact OE2-NZ 2.77Å; E123-K128 PolarHBondContact OE2-NZ 3.2Å; K128-F130 HydrophobicContact CB-CE2 3.66Å; K128-F130 HydrophobicContact CB-CZ 3.96Å; K128-F130 HydrophobicContact CD-CZ 4.26Å
129F98.4Very high97.7Very high2 Ų232.4 Ų32.41%0.00916%0.161CC..EExtended strand (participates in β ladder)trans-109.2131.7-179.9-56.4-85.7000109.9C27 Y30 R31 R65 V121 G122 D124C27-F129 HydrophobicContact CB-CE2 4.35Å; Y30-F129 HydrophobicContact CD2-CB 4.1Å; Y30-F129 HydrophobicContact CD2-CD1 4.12Å; Y30-F129 HydrophobicContact CD2-CD2 4.41Å; Y30-F129 AromaticContact CD2-CG 3.96Å; Y30-F129 HydrophobicContact CD2-CG 3.96Å; Y30-F129 HydrophobicContact CG-CD1 4.36Å; R31-F129 HydrophobicContact CG-CZ 4.07Å; R65-F129 HydrophobicContact CB-CD1 3.57Å; R65-F129 HydrophobicContact CB-CE1 3.54Å; V121-F129 HydrophobicContact CG2-CB 3.71Å; V121-F129 WeakPolarHBondContact CG2-O 3.42Å; V121-F129 PolarHBondContact N-O 2.8Å; G122-F129 PolarHBondContact O-N 3.24Å; D124-F129 WeakPolarHBondContact OD2-CE2 3.43Å
130F98.7Very high97.6Very high10 Ų1039.1 Ų39.14%0.04419%0.19CC..EExtended strand (participates in β ladder)trans-126.6143.7177.4-59.5-82.8000110R63 V64 V66 L98 Q99 A102 Y119 W120 K128R63-F130 CarbonylContact C-O 3.58Å; R63-F130 WeakPolarHBondContact CA-O 3.27Å; V64-F130 PolarHBondContact N-O 3.31Å; V64-F130 PolarHBondContact O-N 3.48Å; V66-F130 HydrophobicContact CG2-CD2 4.4Å; L98-F130 HydrophobicContact CB-CE2 4.17Å; L98-F130 HydrophobicContact CB-CZ 4.32Å; Q99-F130 HydrophobicContact CB-CD1 4.07Å; Q99-F130 HydrophobicContact CB-CE1 3.66Å; Q99-F130 HydrophobicContact CB-CZ 3.95Å; Q99-F130 HydrophobicContact CG-CD1 3.84Å; Q99-F130 HydrophobicContact CG-CE1 3.89Å; A102-F130 HydrophobicContact CB-CB 3.93Å; A102-F130 HydrophobicContact CB-CD2 3.66Å; A102-F130 HydrophobicContact CB-CG 4.02Å; Y119-F130 CarbonylContact O-C 3.53Å; Y119-F130 VanDerWaalsContact O-CA 3.29Å; Y119-F130 WeakPolarHBondContact O-CA 3.35Å; W120-F130 HydrophobicContact CB-CD1 4.18Å; W120-F130 HydrophobicContact CB-CE1 4.05Å; K128-F130 HydrophobicContact CB-CE2 3.66Å; K128-F130 HydrophobicContact CB-CZ 3.96Å; K128-F130 HydrophobicContact CD-CZ 4.26Å
131E98.7Very high97.5Very high0 Ų038.9 Ų38.90%019%0.194CC..EExtended strand (participates in β ladder)trans-99.9125.9163.5-80.2176.9-179.500108.5T43 I61 Y62 R63 S118 Y119 V121T43-E131 WeakPolarHBondContact CB-OE1 3.4Å; T43-E131 PolarHBondContact N-OE1 2.98Å; T43-E131 PolarHBondContact N-OE2 3.01Å; T43-E131 PolarHBondContact OG1-OE1 2.92Å; I61-E131 HydrophobicContact CG2-CB 3.83Å; I61-E131 HydrophobicContact CG2-CG 3.92Å; Y62-E131 CarbonylContact O-C 3.56Å; Y62-E131 WeakPolarHBondContact O-CA 3.21Å; R63-E131 HydrophobicContact CB-CG 4.31Å; R63-E131 HydrophobicContact CG-CG 4.24Å; R63-E131 IonicContact CZ-OE1 3.42Å; R63-E131 IonicContact NE-OE1 3.15Å; R63-E131 PolarHBondContact NE-OE1 3.3Å; R63-E131 VanDerWaalsContact NE-OE1 3.15Å; R63-E131 IonicContact NH2-OE1 2.83Å; R63-E131 PolarHBondContact NH2-OE1 3.06Å; S118-E131 CarbonylContact C-O 3.54Å; S118-E131 WeakPolarHBondContact CA-O 3.42Å; S118-E131 WeakPolarHBondContact CB-O 3.5Å; Y119-E131 HydrophobicContact CD2-CB 4.28Å; Y119-E131 HydrophobicContact CE1-CB 4.08Å; Y119-E131 HydrophobicContact CE2-CB 3.67Å; Y119-E131 HydrophobicContact CE2-CG 4.38Å; Y119-E131 WeakPolarHBondContact CE2-OE2 3.38Å; Y119-E131 PolarHBondContact N-O 3.41Å; Y119-E131 PolarHBondContact O-N 2.74Å; Y119-E131 PolarHBondContact OH-OE2 2.87Å; V121-E131 HydrophobicContact CG1-CB 3.96Å; V121-E131 HydrophobicContact CG1-CG 3.72Å; V121-E131 HydrophobicContact CG2-CG 4.3Å
132V98.7Very high97.5Very high0 Ų038.9 Ų38.90%019%0.194CC..EExtended strand (participates in β ladder)trans-105.2122.5178.3-173.50000107.7I61 Y62 V64 E103 A106 V115 L134I61-V132 WeakPolarHBondContact CA-O 3.3Å; Y62-V132 PolarHBondContact N-O 3.49Å; Y62-V132 PolarHBondContact O-N 3.32Å; V64-V132 HydrophobicContact CG2-CG2 4.17Å; E103-V132 HydrophobicContact CG-CG1 4.37Å; E103-V132 HydrophobicContact CG-CG2 4.49Å; A106-V132 HydrophobicContact CB-CB 3.99Å; A106-V132 HydrophobicContact CB-CG1 3.92Å; A106-V132 HydrophobicContact CB-CG2 3.96Å; V115-V132 HydrophobicContact CG1-CG1 3.8Å; V115-V132 HydrophobicContact CG2-CG1 4.24Å; V132-L134 HydrophobicContact CG1-CG 4.3Å
133I98.5Very high97.5Very high0 Ų044.5 Ų44.50%022%0.216CC..EExtended strand (participates in β ladder)trans-84.9120.4174.9-55.9159.6000107.3A48 L51 Y53 Y59 L116 A117 Y119A48-I133 HydrophobicContact CB-CD1 4.41Å; L51-I133 HydrophobicContact CB-CD1 3.88Å; Y53-I133 HydrophobicContact CD2-CG2 4.14Å; Y59-I133 HydrophobicContact CD1-CG2 3.94Å; Y59-I133 HydrophobicContact CE1-CG2 4.31Å; L116-I133 HydrophobicContact CB-CB 4.38Å; L116-I133 HydrophobicContact CB-CG2 4.18Å; L116-I133 HydrophobicContact CD2-CG2 3.98Å; L116-I133 PolarHBondContact N-O 3.4Å; A117-I133 HydrophobicContact CB-CD1 4.46Å; A117-I133 PolarHBondContact O-N 2.89Å; Y119-I133 HydrophobicContact CD1-CD1 4.23Å; Y119-I133 HydrophobicContact CE1-CD1 3.96Å; Y119-I133 HydrophobicContact CE1-CG1 4.01Å
134L98.2Very high97.4Very high0 Ų050.5 Ų50.50%024%0.235CC..EExtended strand (participates in β ladder)trans-116.3151178.1-69.3144.6000109.3V60 Y62 A106 C110 L113 R114 V115 V132V60-L134 HydrophobicContact CG2-CB 3.62Å; V60-L134 HydrophobicContact CG2-CD1 4.38Å; V60-L134 PolarHBondContact N-O 3.05Å; V60-L134 PolarHBondContact O-N 2.54Å; V60-L134 VanDerWaalsContact O-O 3.13Å; Y62-L134 HydrophobicContact CD2-CD1 3.38Å; Y62-L134 HydrophobicContact CE2-CD1 4.16Å; Y62-L134 HydrophobicContact CG-CD1 3.85Å; A106-L134 HydrophobicContact CB-CD1 4.46Å; C110-L134 HydrophobicContact CB-CD1 4.38Å; C110-L134 HydrophobicContact CB-CD2 4.37Å; L113-L134 HydrophobicContact CB-CB 4.19Å; L113-L134 HydrophobicContact CB-CD2 3.99Å; L113-L134 HydrophobicContact CD1-CB 4.03Å; L113-L134 HydrophobicContact CD1-CD1 4.39Å; R114-L134 CarbonylContact O-C 3.51Å; R114-L134 VanDerWaalsContact O-CA 3.27Å; R114-L134 WeakPolarHBondContact O-CA 2.97Å; V115-L134 HydrophobicContact CB-CD2 4.39Å; V115-L134 HydrophobicContact CG2-CD2 3.63Å; V132-L134 HydrophobicContact CG1-CG 4.3Å
135I98Very high97.4Very high2 Ų251.3 Ų51.31%0.0124%0.239CC..EExtended strand (participates in β ladder)trans-123132178.1-65.4180000108.9G58 Y59 R114 L116 I142 I151G58-I135 CarbonylContact O-C 3.56Å; G58-I135 WeakPolarHBondContact O-CA 3.35Å; Y59-I135 HydrophobicContact CD1-CD1 4.49Å; Y59-I135 HydrophobicContact CD1-CG1 4.06Å; Y59-I135 HydrophobicContact CE1-CD1 3.83Å; Y59-I135 HydrophobicContact CE1-CG1 3.9Å; R114-I135 PolarHBondContact N-O 3.3Å; R114-I135 PolarHBondContact O-N 3.44Å; L116-I135 HydrophobicContact CB-CD1 4.07Å; L116-I135 HydrophobicContact CB-CG1 4.29Å; L116-I135 HydrophobicContact CD1-CD1 4.18Å; L116-I135 HydrophobicContact CD2-CD1 4.06Å; L116-I135 HydrophobicContact CG-CD1 4.32Å; I135-I142 HydrophobicContact CG2-CB 4.27Å; I135-I142 HydrophobicContact CG2-CD1 3.98Å; I135-I142 HydrophobicContact CG2-CG1 3.86Å; I135-I142 HydrophobicContact CG2-CG2 3.48Å; I135-I142 VanDerWaalsContact CG2-CG2 3.48Å; I135-I151 HydrophobicContact CB-CG2 4.42Å; I135-I151 HydrophobicContact CD1-CD1 4.01Å; I135-I151 HydrophobicContact CD1-CG2 4.11Å; I135-I151 HydrophobicContact CG2-CG2 4.01Å
136D97.8Very high97.4Very high45 Ų4551.5 Ų51.524%0.24124%0.238CC..EExtended strand (participates in β ladder)trans-78.5116.2166.7-179.1-2.1000110.1G58 L113 F138 H139 I142G58-D136 PolarHBondContact O-N 2.84Å; L113-D136 HydrophobicContact CD2-CB 3.71Å; D136-F138 VanDerWaalsContact C-N 3.34Å; D136-F138 PolarHBondContact OD1-N 2.77Å; D136-H139 HydrophobicContact CB-CB 4.13Å; D136-H139 PolarHBondContact OD1-N 2.84Å; D136-I142 WeakPolarHBondContact O-CG1 3.46Å
137T97.1Very high97.3Very high8 Ų854 Ų545%0.04925%0.25CC..SBendtrans-79.5-15.8-178.350.10000114.6R114 R143 T152R114-T137 HydrophobicContact CB-CG2 4.14Å; R114-T137 HydrophobicContact CG-CG2 3.23Å; T137-R143 WeakPolarHBondContact O-CD 3.14Å; T137-R143 VanDerWaalsContact O-CG 3.26Å; T137-R143 WeakPolarHBondContact O-CG 3.49Å; T137-R143 PolarHBondContact O-NH1 3.43Å; T137-T152 HydrophobicContact CG2-CG2 4.21Å
138F96.1Very high97Very high157 Ų15751.4 Ų51.469%0.68924%0.24SC*.SBendtrans-89-19.6179-64.6-78000111.7D136 K140D136-F138 VanDerWaalsContact C-N 3.34Å; D136-F138 PolarHBondContact OD1-N 2.77Å; F138-K140 PolarHBondContact O-N 3.5Å
139H97.6Very high96.9Very high54 Ų5453.4 Ų53.425%0.2525%0.251CS..  trans-65.8129-180-155.1-76.3000113.3Q57 D136 T141 I142 R143Q57-H139 WeakPolarHBondContact CB-CE1 3.33Å; Q57-H139 PolarHBondContact OE1-CE1 2.93Å; D136-H139 HydrophobicContact CB-CB 4.13Å; D136-H139 PolarHBondContact OD1-N 2.84Å; H139-T141 VanDerWaalsContact C-N 3.32Å; H139-T141 PolarHBondContact CE1-OG1 3.34Å; H139-T141 PolarHBondContact ND1-N 3.16Å; H139-T141 PolarHBondContact ND1-OG1 2.96Å; H139-T141 PolarHBondContact O-N 2.86Å; H139-I142 HydrophobicContact CB-CG1 4.26Å; H139-I142 WeakPolarHBondContact O-CB 3.46Å; H139-I142 PolarHBondContact O-N 2.94Å; H139-R143 PolarHBondContact O-N 2.67Å; H139-R143 VanDerWaalsContact O-N 3.15Å
140K97.1Very high96.9Very high143 Ų14358.4 Ų58.462%0.62227%0.269SS*.Hα-helixtrans-57.7-39.8-175.6-65.1178.3-176.6174.60112.9F138 I142 R143 R144F138-K140 PolarHBondContact O-N 3.5Å; K140-I142 PolarHBondContact O-N 3.09Å; K140-R143 PolarHBondContact O-N 3.24Å; K140-R144 WeakPolarHBondContact O-CB 3.35Å; K140-R144 WeakPolarHBondContact O-CG 3.4Å; K140-R144 PolarHBondContact O-N 3Å
141T96.8Very high96.8Very high47 Ų4757.9 Ų57.929%0.28827%0.267SS..Hα-helixtrans-63.1-21.5178.260.40000114.3K56 Q57 H139 N145K56-T141 PolarHBondContact NZ-O 3.23Å; K56-T141 VanDerWaalsContact NZ-O 3.12Å; Q57-T141 HydrophobicContact CB-CG2 4.4Å; Q57-T141 PolarHBondContact O-OG1 3.04Å; H139-T141 VanDerWaalsContact C-N 3.32Å; H139-T141 PolarHBondContact CE1-OG1 3.34Å; H139-T141 PolarHBondContact ND1-N 3.16Å; H139-T141 PolarHBondContact ND1-OG1 2.96Å; H139-T141 PolarHBondContact O-N 2.86Å; T141-N145 VanDerWaalsContact O-CB 3.3Å; T141-N145 WeakPolarHBondContact O-CB 3.33Å
142I97.5Very high96.7Very high0 Ų059 Ų590%027%0.274CS..Hα-helixtrans-88.4-46.4175.3-59.7-57.5000109.5Y59 I135 D136 H139 K140 N145 T148 T152Y59-I142 HydrophobicContact CD2-CD1 3.72Å; Y59-I142 HydrophobicContact CE2-CD1 3.56Å; I135-I142 HydrophobicContact CG2-CB 4.27Å; I135-I142 HydrophobicContact CG2-CD1 3.98Å; I135-I142 HydrophobicContact CG2-CG1 3.86Å; I135-I142 HydrophobicContact CG2-CG2 3.48Å; I135-I142 VanDerWaalsContact CG2-CG2 3.48Å; D136-I142 WeakPolarHBondContact O-CG1 3.46Å; H139-I142 HydrophobicContact CB-CG1 4.26Å; H139-I142 WeakPolarHBondContact O-CB 3.46Å; H139-I142 PolarHBondContact O-N 2.94Å; K140-I142 PolarHBondContact O-N 3.09Å; I142-N145 PolarHBondContact O-N 3.43Å; I142-T148 PolarHBondContact O-OG1 3.17Å; I142-T152 HydrophobicContact CG2-CG2 3.85Å
143R96.4Very high96.6Very high119 Ų11966.3 Ų66.345%0.44930%0.301SS..Hα-helixtrans-65.9-37-177.8-65.1-175.269.483.4-0.8113.4T137 H139 K140 Q149 T152T137-R143 WeakPolarHBondContact O-CD 3.14Å; T137-R143 VanDerWaalsContact O-CG 3.26Å; T137-R143 WeakPolarHBondContact O-CG 3.49Å; T137-R143 PolarHBondContact O-NH1 3.43Å; H139-R143 PolarHBondContact O-N 2.67Å; H139-R143 VanDerWaalsContact O-N 3.15Å; K140-R143 PolarHBondContact O-N 3.24Å; R143-Q149 VanDerWaalsContact O-CG 3.26Å; R143-Q149 WeakPolarHBondContact O-CG 3.34Å; R143-Q149 PolarHBondContact O-NE2 2.86Å; R143-Q149 PolarHBondContact O-OE1 3.1Å; R143-T152 HydrophobicContact CG-CG2 4.25Å
144R96.2Very high96.5Very high195 Ų19570.8 Ų70.874%0.73633%0.33SS*.THydrogen-bonded Turntrans-82.4-11.8179.8-65.6178.9-178.7175.2-3.5113.8K140K140-R144 WeakPolarHBondContact O-CB 3.35Å; K140-R144 WeakPolarHBondContact O-CG 3.4Å; K140-R144 PolarHBondContact O-N 3Å
145N95.3Very high96.5Very high39 Ų3974.6 Ų74.621%0.20935%0.354CS..  trans-96.1116.4-175.9179.2-60.3000110.3K56 T141 I142 D147 T148 Q149K56-N145 VanDerWaalsContact NZ-CB 3.32Å; K56-N145 PolarHBondContact NZ-ND2 2.83Å; T141-N145 VanDerWaalsContact O-CB 3.3Å; T141-N145 WeakPolarHBondContact O-CB 3.33Å; I142-N145 PolarHBondContact O-N 3.43Å; N145-D147 VanDerWaalsContact C-N 3.31Å; N145-D147 PolarHBondContact O-N 3.44Å; N145-D147 VanDerWaalsContact OD1-CB 3.29Å; N145-D147 WeakPolarHBondContact OD1-CB 3.39Å; N145-D147 PolarHBondContact OD1-N 2.98Å; N145-T148 WeakPolarHBondContact CB-OG1 3.47Å; N145-T148 PolarHBondContact O-N 3.02Å; N145-T148 VanDerWaalsContact O-N 3.11Å; N145-T148 PolarHBondContact O-OG1 3.29Å; N145-T148 PolarHBondContact OD1-N 3.15Å; N145-T148 PolarHBondContact OD1-OG1 2.84Å; N145-Q149 VanDerWaalsContact O-CB 3.27Å; N145-Q149 WeakPolarHBondContact O-CB 3.08Å; N145-Q149 PolarHBondContact O-N 3.11Å
146P95.3Very high96.5Very high102 Ų10276.2 Ų76.266%0.66236%0.361SS*.Hα-helixtrans-61.6-35.2-173.122.9-33000113.1T148P146-T148 PolarHBondContact O-N 3.34Å
147D93.6Very high96.5Very high100 Ų10079.7 Ų79.754%0.53537%0.374SS..Hα-helixtrans-63.1-28.2179.3-52.3-23000113.2K54 N145 W150K54-D147 IonicContact NZ-OD2 2.66Å; K54-D147 PolarHBondContact NZ-OD2 3.15Å; N145-D147 VanDerWaalsContact C-N 3.31Å; N145-D147 PolarHBondContact O-N 3.44Å; N145-D147 VanDerWaalsContact OD1-CB 3.29Å; N145-D147 WeakPolarHBondContact OD1-CB 3.39Å; N145-D147 PolarHBondContact OD1-N 2.98Å; D147-W150 PolarHBondContact O-NE1 3.05Å; D147-W150 VanDerWaalsContact O-NE1 3.07Å
148T93.9Very high96.5Very high5 Ų582.3 Ų82.33%0.03139%0.386CS..Hα-helixtrans-112.1-23.2-17355.20000113.3K56 Y59 I142 N145 P146 W150 I151K56-T148 PolarHBondContact NZ-OG1 3.05Å; Y59-T148 HydrophobicContact CE2-CG2 4.28Å; Y59-T148 WeakPolarHBondContact OH-CG2 3.32Å; I142-T148 PolarHBondContact O-OG1 3.17Å; N145-T148 WeakPolarHBondContact CB-OG1 3.47Å; N145-T148 PolarHBondContact O-N 3.02Å; N145-T148 VanDerWaalsContact O-N 3.11Å; N145-T148 PolarHBondContact O-OG1 3.29Å; N145-T148 PolarHBondContact OD1-N 3.15Å; N145-T148 PolarHBondContact OD1-OG1 2.84Å; P146-T148 PolarHBondContact O-N 3.34Å; T148-W150 PolarHBondContact O-N 3.15Å; T148-W150 VanDerWaalsContact O-N 3.1Å; T148-I151 VanDerWaalsContact O-CG2 3.26Å; T148-I151 WeakPolarHBondContact O-CG2 3.2Å; T148-I151 PolarHBondContact O-N 2.86Å; T148-I151 VanDerWaalsContact O-N 3.11Å
149Q95.5Very high96.6Very high94 Ų9475.8 Ų75.844%0.43936%0.356SS..Hα-helixtrans-57.7-30.8-173.1-177.4-179.76.200112.8R143 N145 I151 T152R143-Q149 VanDerWaalsContact O-CG 3.26Å; R143-Q149 WeakPolarHBondContact O-CG 3.34Å; R143-Q149 PolarHBondContact O-NE2 2.86Å; R143-Q149 PolarHBondContact O-OE1 3.1Å; N145-Q149 VanDerWaalsContact O-CB 3.27Å; N145-Q149 WeakPolarHBondContact O-CB 3.08Å; N145-Q149 PolarHBondContact O-N 3.11Å; Q149-I151 PolarHBondContact O-N 2.89Å; Q149-I151 VanDerWaalsContact O-N 3.09Å; Q149-T152 WeakPolarHBondContact O-CB 3.41Å; Q149-T152 WeakPolarHBondContact O-CG2 3.44Å; Q149-T152 PolarHBondContact O-N 3.37Å; Q149-T152 PolarHBondContact O-OG1 3.34Å
150W97.1Very high96.6Very high106 Ų10673.2 Ų73.240%0.40235%0.345SS..G310 helixtrans-49.3-40176.868.4-85.3000112.3L116 D147 T148 T152 R153 H156 R159L116-W150 HydrophobicContact CD1-CZ2 4.06Å; D147-W150 PolarHBondContact O-NE1 3.05Å; D147-W150 VanDerWaalsContact O-NE1 3.07Å; T148-W150 PolarHBondContact O-N 3.15Å; T148-W150 VanDerWaalsContact O-N 3.1Å; W150-T152 PolarHBondContact O-N 3.32Å; W150-R153 WeakPolarHBondContact O-CG 3.5Å; W150-R153 PolarHBondContact O-N 3.31Å; W150-H156 AromaticContact CE3-CE1 3.99Å; W150-H156 AromaticContact CE3-NE2 3.73Å; W150-H156 PolarHBondContact O-CD2 3.03Å; W150-H156 PolarHBondContact O-NE2 3.36Å; W150-R159 VanDerWaalsContact CZ3-CZ 3.45Å
151I96.8Very high96.6Very high0 Ų069.9 Ų69.90%033%0.332CS..G310 helixtrans-67.2-18.9-177.2-154.2172.9000113.5R114 L116 I135 T148 Q149 R153R114-I151 HydrophobicContact CB-CD1 3.77Å; R114-I151 HydrophobicContact CB-CG1 3.95Å; R114-I151 HydrophobicContact CG-CG1 4.28Å; L116-I151 HydrophobicContact CB-CD1 4.36Å; L116-I151 HydrophobicContact CD1-CD1 4.12Å; I135-I151 HydrophobicContact CB-CG2 4.42Å; I135-I151 HydrophobicContact CD1-CD1 4.01Å; I135-I151 HydrophobicContact CD1-CG2 4.11Å; I135-I151 HydrophobicContact CG2-CG2 4.01Å; T148-I151 VanDerWaalsContact O-CG2 3.26Å; T148-I151 WeakPolarHBondContact O-CG2 3.2Å; T148-I151 PolarHBondContact O-N 2.86Å; T148-I151 VanDerWaalsContact O-N 3.11Å; Q149-I151 PolarHBondContact O-N 2.89Å; Q149-I151 VanDerWaalsContact O-N 3.09Å; I151-R153 VanDerWaalsContact C-N 3.3Å
152T96.9Very high96.6Very high23 Ų2373.2 Ų73.214%0.14134%0.339CS..G310 helixtrans-76.7-18-179.271.60000112.8T137 I142 R143 Q149 W150T137-T152 HydrophobicContact CG2-CG2 4.21Å; I142-T152 HydrophobicContact CG2-CG2 3.85Å; R143-T152 HydrophobicContact CG-CG2 4.25Å; Q149-T152 WeakPolarHBondContact O-CB 3.41Å; Q149-T152 WeakPolarHBondContact O-CG2 3.44Å; Q149-T152 PolarHBondContact O-N 3.37Å; Q149-T152 PolarHBondContact O-OG1 3.34Å; W150-T152 PolarHBondContact O-N 3.32Å
153R97.1Very high96.5Very high153 Ų15373.8 Ų73.858%0.57735%0.345SS*.SBendtrans-61.4145.2179.5-62.2173.166.2-177.51.7111.1W150 I151 V155 H156W150-R153 WeakPolarHBondContact O-CG 3.5Å; W150-R153 PolarHBondContact O-N 3.31Å; I151-R153 VanDerWaalsContact C-N 3.3Å; R153-V155 HydrophobicContact CB-CG2 4.07Å; R153-V155 PolarHBondContact O-N 3.47Å; R153-V155 VanDerWaalsContact O-N 3.17Å; R153-H156 PolarHBondContact O-N 3.01Å
154P96.6Very high96.6Very high94 Ų9470.7 Ų70.761%0.6134%0.338SS*.G310 helixtrans-59.9-31.3-17722.8-33.8000113H156 K157P154-H156 PolarHBondContact O-N 3.17Å; P154-K157 WeakPolarHBondContact O-CG 3.24Å; P154-K157 PolarHBondContact O-N 3.41Å
155V97.6Very high96.7Very high81 Ų8161.5 Ų61.549%0.49130%0.303SS..G310 helixtrans-59.6-13.1176.6-610000114R153 R162R153-V155 HydrophobicContact CB-CG2 4.07Å; R153-V155 PolarHBondContact O-N 3.47Å; R153-V155 VanDerWaalsContact O-N 3.17Å; V155-R162 VanDerWaalsContact O-CZ 3.32Å; V155-R162 PolarHBondContact O-NH1 3.06Å; V155-R162 PolarHBondContact O-NH2 3.28Å
156H97.5Very high96.7Very high35 Ų3563.1 Ų63.116%0.16232%0.318CS..G310 helixtrans-99.61.1178.5-59.5-53.8000115.1R114 W150 R153 P154 H158 R159R114-H156 WeakPolarHBondContact CD-O 3.41Å; W150-H156 AromaticContact CE3-CE1 3.99Å; W150-H156 AromaticContact CE3-NE2 3.73Å; W150-H156 PolarHBondContact O-CD2 3.03Å; W150-H156 PolarHBondContact O-NE2 3.36Å; R153-H156 PolarHBondContact O-N 3.01Å; P154-H156 PolarHBondContact O-N 3.17Å; H156-H158 PolarHBondContact O-N 3.15Å; H156-R159 VanDerWaalsContact CB-NH2 3.32Å; H156-R159 PolarHBondContact ND1-NH2 3.39Å
157K97.7Very high96.7Very high119 Ų11958.4 Ų58.452%0.51729%0.287SS..THydrogen-bonded Turntrans593.3133.738.6-178.7173.8164.90117.4R114 P154 R159 R162R114-K157 VanDerWaalsContact CZ-CB 3.46Å; R114-K157 VanDerWaalsContact NH1-CB 3.28Å; P154-K157 WeakPolarHBondContact O-CG 3.24Å; P154-K157 PolarHBondContact O-N 3.41Å; K157-R159 VanDerWaalsContact C-N 3.32Å; K157-R159 PolarHBondContact O-N 2.97Å; K157-R162 PolarHBondContact O-NE 3.17Å; K157-R162 PolarHBondContact O-NH2 3.35Å
158H97.8Very high96.8Very high63 Ų6353.7 Ų53.729%0.29226%0.262SS..THydrogen-bonded Turntrans41.853.3170-66.3-64000115.3H156 E160 M161 R162H156-H158 PolarHBondContact O-N 3.15Å; H158-E160 VanDerWaalsContact CA-OE1 3.32Å; H158-E160 WeakPolarHBondContact CA-OE1 3.39Å; H158-E160 WeakPolarHBondContact CA-OE2 3.48Å; H158-E160 WeakPolarHBondContact CB-OE1 3.5Å; H158-E160 IonicContact CG-OE1 3.66Å; H158-E160 IonicContact ND1-OE1 3.06Å; H158-E160 PolarHBondContact ND1-OE1 3.46Å; H158-E160 PolarHBondContact O-N 3.08Å; H158-M161 HydrophobicContact CB-CB 4.33Å; H158-M161 HydrophobicContact CB-CE 4.38Å; H158-M161 HydrophobicContact CB-CG 4.16Å; H158-M161 HydrophobicContact CB-SD 4.32Å; H158-M161 PolarHBondContact O-N 3.05Å; H158-M161 VanDerWaalsContact O-N 3.14Å; H158-R162 PolarHBondContact O-N 2.82Å
159R98Very high96.9Very high19 Ų1958.5 Ų58.57%0.07228%0.283CS..THydrogen-bonded Turntrans-63.4-27.4-17464.5164.462.5-156.41.6113.4V115 W150 H156 K157 R162 G163 L164 T165V115-R159 WeakPolarHBondContact O-CD 3.33Å; W150-R159 VanDerWaalsContact CZ3-CZ 3.45Å; H156-R159 VanDerWaalsContact CB-NH2 3.32Å; H156-R159 PolarHBondContact ND1-NH2 3.39Å; K157-R159 VanDerWaalsContact C-N 3.32Å; K157-R159 PolarHBondContact O-N 2.97Å; R159-R162 PolarHBondContact O-N 3.37Å; R159-G163 PolarHBondContact O-N 3.12Å; R159-L164 HydrophobicContact CB-CB 4.03Å; R159-L164 HydrophobicContact CB-CD1 4.5Å; R159-L164 WeakPolarHBondContact O-CB 3.24Å; R159-L164 PolarHBondContact O-N 2.9Å; R159-T165 HydrophobicContact CG-CG2 4.04Å
160E97.8Very high96.9Very high1 Ų161.8 Ų61.81%0.00530%0.295CS..THydrogen-bonded Turntrans-62.3-43.2173.668.8-66.3160.800111.3E103 E104 V115 H158 R162 G163 T165E103-E160 HydrophobicContact CB-CB 4.02Å; E104-E160 HydrophobicContact CG-CG 4.39Å; V115-E160 HydrophobicContact CB-CB 4.23Å; V115-E160 HydrophobicContact CB-CG 4.48Å; V115-E160 HydrophobicContact CG1-CB 4.41Å; V115-E160 HydrophobicContact CG2-CB 4.14Å; V115-E160 HydrophobicContact CG2-CG 3.94Å; H158-E160 VanDerWaalsContact CA-OE1 3.32Å; H158-E160 WeakPolarHBondContact CA-OE1 3.39Å; H158-E160 WeakPolarHBondContact CA-OE2 3.48Å; H158-E160 WeakPolarHBondContact CB-OE1 3.5Å; H158-E160 IonicContact CG-OE1 3.66Å; H158-E160 IonicContact ND1-OE1 3.06Å; H158-E160 PolarHBondContact ND1-OE1 3.46Å; H158-E160 PolarHBondContact O-N 3.08Å; E160-R162 VanDerWaalsContact C-N 3.27Å; E160-R162 PolarHBondContact O-N 2.66Å; E160-G163 PolarHBondContact O-N 3.46Å; E160-T165 HydrophobicContact CB-CG2 4Å
161M97.3Very high96.7Very high73 Ų7358.9 Ų58.936%0.3629%0.291SS..THydrogen-bonded Turntrans-71.7-24.7179.9-56.5-165.2-159.100112.6R108 H158R108-M161 HydrophobicContact CB-CE 4.43Å; R108-M161 HydrophobicContact CG-CE 3.43Å; R108-M161 VanDerWaalsContact CG-CE 3.43Å; R108-M161 HydrophobicContact CG-SD 4.49Å; H158-M161 HydrophobicContact CB-CB 4.33Å; H158-M161 HydrophobicContact CB-CE 4.38Å; H158-M161 HydrophobicContact CB-CG 4.16Å; H158-M161 HydrophobicContact CB-SD 4.32Å; H158-M161 PolarHBondContact O-N 3.05Å; H158-M161 VanDerWaalsContact O-N 3.14Å
162R96.7Very high96.7Very high116 Ų11662.5 Ų62.544%0.43831%0.305SS..THydrogen-bonded Turntrans-911.8176.1-62.4-179.4-67.3149.63.9113.4V155 K157 H158 R159 E160 L164V155-R162 VanDerWaalsContact O-CZ 3.32Å; V155-R162 PolarHBondContact O-NH1 3.06Å; V155-R162 PolarHBondContact O-NH2 3.28Å; K157-R162 PolarHBondContact O-NE 3.17Å; K157-R162 PolarHBondContact O-NH2 3.35Å; H158-R162 PolarHBondContact O-N 2.82Å; R159-R162 PolarHBondContact O-N 3.37Å; E160-R162 VanDerWaalsContact C-N 3.27Å; E160-R162 PolarHBondContact O-N 2.66Å; R162-L164 VanDerWaalsContact C-N 3.34Å; R162-L164 HydrophobicContact CB-CD1 4.12Å; R162-L164 HydrophobicContact CB-CG 4.05Å; R162-L164 PolarHBondContact O-N 2.73Å
163G96.4Very high96.5Very high12 Ų1262.6 Ų62.612%0.12431%0.31CS..THydrogen-bonded Turntrans63.436.9-179.100000113.5R159 E160 G168 K169 R172R159-G163 PolarHBondContact O-N 3.12Å; E160-G163 PolarHBondContact O-N 3.46Å; G163-G168 CarbonylContact O-C 3.53Å; G163-K169 PolarHBondContact O-N 3.4Å; G163-R172 WeakPolarHBondContact O-CD 3.31Å
164L97.4Very high96.4Very high55 Ų5558.5 Ų58.529%0.28830%0.299SS..  trans-100-7.7179.1-62.9176.1000113.2R159 R162 K169R159-L164 HydrophobicContact CB-CB 4.03Å; R159-L164 HydrophobicContact CB-CD1 4.5Å; R159-L164 WeakPolarHBondContact O-CB 3.24Å; R159-L164 PolarHBondContact O-N 2.9Å; R162-L164 VanDerWaalsContact C-N 3.34Å; R162-L164 HydrophobicContact CB-CD1 4.12Å; R162-L164 HydrophobicContact CB-CG 4.05Å; R162-L164 PolarHBondContact O-N 2.73Å; L164-K169 VanDerWaalsContact O-CE 3.26Å; L164-K169 WeakPolarHBondContact O-CE 3.38Å
165T97.7Very high96.3Very high2 Ų256 Ų561%0.01229%0.291CS..SBendtrans-70165.2168.658.40000110.9E103 V115 R159 E160 A167 G168 K169E103-T165 WeakPolarHBondContact OE2-CB 3.43Å; E103-T165 WeakPolarHBondContact OE2-CG2 3.28Å; E103-T165 PolarHBondContact OE2-OG1 3.34Å; V115-T165 HydrophobicContact CG1-CG2 3.97Å; R159-T165 HydrophobicContact CG-CG2 4.04Å; E160-T165 HydrophobicContact CB-CG2 4Å; T165-A167 VanDerWaalsContact C-N 3.28Å; T165-A167 PolarHBondContact O-N 3.1Å; T165-G168 PolarHBondContact O-N 3.29Å; T165-G168 PolarHBondContact OG1-N 3.41Å; T165-G168 VanDerWaalsContact OG1-N 3.16Å; T165-K169 WeakPolarHBondContact O-CB 3.45Å; T165-K169 VanDerWaalsContact O-CG 3.32Å; T165-K169 WeakPolarHBondContact O-CG 3.44Å; T165-K169 PolarHBondContact O-N 2.96Å
166S95.3Very high96.2Very high73 Ų7361.8 Ų61.851%0.5131%0.309SS..Hα-helixtrans-58.1-41.5176.4-175.70000111.8K170S166-K170 WeakPolarHBondContact O-CG 3.39Å; S166-K170 PolarHBondContact O-N 3.46Å
167A96.8Very high96.1Very high3 Ų362.9 Ų62.93%0.02533%0.33CS..Hα-helixtrans-68.4-41.8178.400000112.5Q99 T165Q99-A167 HydrophobicContact CB-CB 4.13Å; Q99-A167 HydrophobicContact CG-CB 3.78Å; T165-A167 VanDerWaalsContact C-N 3.28Å; T165-A167 PolarHBondContact O-N 3.1Å
168G95.6Very high95.9Very high1 Ų164.5 Ų64.51%0.0134%0.339CS..Hα-helixtrans-69.4-37.8178.500000113.6G163 T165 K170 S171G163-G168 CarbonylContact O-C 3.53Å; T165-G168 PolarHBondContact O-N 3.29Å; T165-G168 PolarHBondContact OG1-N 3.41Å; T165-G168 VanDerWaalsContact OG1-N 3.16Å; G168-K170 VanDerWaalsContact C-N 3.28Å; G168-K170 PolarHBondContact O-N 3.46Å; G168-S171 PolarHBondContact O-N 2.91Å; G168-S171 PolarHBondContact O-OG 3.42Å
169K96.1Very high95.9Very high106 Ų10669.3 Ų69.346%0.46136%0.36SS..Hα-helixtrans-60.8-35.9176.9-77.9179.7176.4-177.90112.4G163 L164 T165 S171 R172G163-K169 PolarHBondContact O-N 3.4Å; L164-K169 VanDerWaalsContact O-CE 3.26Å; L164-K169 WeakPolarHBondContact O-CE 3.38Å; T165-K169 WeakPolarHBondContact O-CB 3.45Å; T165-K169 VanDerWaalsContact O-CG 3.32Å; T165-K169 WeakPolarHBondContact O-CG 3.44Å; T165-K169 PolarHBondContact O-N 2.96Å; K169-S171 VanDerWaalsContact C-N 3.35Å; K169-S171 PolarHBondContact O-N 2.94Å; K169-R172 WeakPolarHBondContact O-CB 3.48Å; K169-R172 PolarHBondContact O-N 3.06Å; K169-R172 VanDerWaalsContact O-N 3.12Å
170K94.8Very high95.8Very high163 Ų16372.1 Ų72.171%0.70937%0.372SS*.Hα-helixtrans-60.6-40179.1-73.8179.7179.5-171.60113S166 G168 R172S166-K170 WeakPolarHBondContact O-CG 3.39Å; S166-K170 PolarHBondContact O-N 3.46Å; G168-K170 VanDerWaalsContact C-N 3.28Å; G168-K170 PolarHBondContact O-N 3.46Å; K170-R172 PolarHBondContact O-N 3.39Å
171S93.8Very high95.7Very high44 Ų4476.2 Ų76.231%0.30839%0.391SS..Hα-helixtrans-72.9-14.5177.843.90000114.1A95 G168 K169 G173A95-S171 WeakPolarHBondContact O-CB 3.44Å; G168-S171 PolarHBondContact O-N 2.91Å; G168-S171 PolarHBondContact O-OG 3.42Å; K169-S171 VanDerWaalsContact C-N 3.35Å; K169-S171 PolarHBondContact O-N 2.94Å; S171-G173 VanDerWaalsContact C-N 3.29Å; S171-G173 PolarHBondContact O-N 3.32Å
172R95.3Very high95.6Very high77 Ų7776.8 Ų76.829%0.29140%0.395SS..THydrogen-bonded Turntrans-79.2-11.9-178.5-69.5176.157.7175.7-3.1113.5G163 K169 K170 L174 G186G163-R172 WeakPolarHBondContact O-CD 3.31Å; K169-R172 WeakPolarHBondContact O-CB 3.48Å; K169-R172 PolarHBondContact O-N 3.06Å; K169-R172 VanDerWaalsContact O-N 3.12Å; K170-R172 PolarHBondContact O-N 3.39Å; R172-L174 VanDerWaalsContact C-N 3.3Å; R172-L174 HydrophobicContact CB-CD1 4.19Å; R172-L174 HydrophobicContact CB-CD2 4.39Å; R172-L174 HydrophobicContact CB-CG 3.81Å; R172-L174 PolarHBondContact O-N 3.41Å; R172-G186 PolarHBondContact NH2-O 3.39Å
173G93.5Very high95.6Very high25 Ų2571.7 Ų71.726%0.25838%0.377SS..THydrogen-bonded Turntrans6335.8-177.400000112.9S171 F180 T183S171-G173 VanDerWaalsContact C-N 3.29Å; S171-G173 PolarHBondContact O-N 3.32Å; G173-F180 WeakPolarHBondContact O-CD1 3.49Å; G173-T183 WeakPolarHBondContact O-CG2 3.21Å; G173-T183 PolarHBondContact O-OG1 3.3Å
174L95Very high95.5Very high66 Ų6675.3 Ų75.335%0.34639%0.392SS..  trans-79.3142.5175.8-58.2174.9000110R172 T183 G186R172-L174 VanDerWaalsContact C-N 3.3Å; R172-L174 HydrophobicContact CB-CD1 4.19Å; R172-L174 HydrophobicContact CB-CD2 4.39Å; R172-L174 HydrophobicContact CB-CG 3.81Å; R172-L174 PolarHBondContact O-N 3.41Å; L174-T183 HydrophobicContact CD2-CG2 4.4Å; L174-G186 WeakPolarHBondContact CD2-O 3.28Å
175G95Very high95.3Very high42 Ų4276.1 Ų76.143%0.43341%0.413SS..  trans177.7-170.9175.700000111.8F180G175-F180 VanDerWaalsContact CA-CD1 3.49Å; G175-F180 VanDerWaalsContact CA-CG 3.46Å
176K95Very high95.1Very high202 Ų20278 Ų7888%0.87843%0.433SS*.SBendtrans-121.5146.7178.9-66.1-173.9176.3-173.40110.1F180K176-F180 WeakPolarHBondContact O-CD2 3.5Å; K176-F180 WeakPolarHBondContact O-CE2 3.49Å
177G94.7Very high95.2Very high58 Ų5876.4 Ų76.460%0.59842%0.422SS*.SBendtrans98176179.200000114.3K179 F180G177-K179 PolarHBondContact O-N 3.5Å; G177-K179 VanDerWaalsContact O-N 3.11Å; G177-F180 PolarHBondContact O-N 3.16Å
178H94.9Very high95.2Very high154 Ų15483.5 Ų83.571%0.71345%0.448SS*.G310 helixtrans-55.1-33-171.765.2-89.9000113.7F180 H181H178-F180 PolarHBondContact O-N 2.67Å; H178-F180 VanDerWaalsContact O-N 3.15Å; H178-H181 PolarHBondContact O-N 3.22Å; H178-H181 PolarHBondContact O-ND1 2.92Å
179K96.5Very high95.2Very high164 Ų16492.2 Ų92.271%0.71348%0.481SS*.G310 helixtrans-64.7-16.6178.2-60.3-172.2177.7177.50114G177G177-K179 PolarHBondContact O-N 3.5Å; G177-K179 VanDerWaalsContact O-N 3.11Å
180F96.4Very high95.2Very high78 Ų7889 Ų8934%0.34247%0.474SS..G310 helixtrans-111.717.7-175.6-58.5-84.4000113.8G173 G175 K176 G177 H178 L182 T183G173-F180 WeakPolarHBondContact O-CD1 3.49Å; G175-F180 VanDerWaalsContact CA-CD1 3.49Å; G175-F180 VanDerWaalsContact CA-CG 3.46Å; K176-F180 WeakPolarHBondContact O-CD2 3.5Å; K176-F180 WeakPolarHBondContact O-CE2 3.49Å; G177-F180 PolarHBondContact O-N 3.16Å; H178-F180 PolarHBondContact O-N 2.67Å; H178-F180 VanDerWaalsContact O-N 3.15Å; F180-L182 PolarHBondContact O-N 3.34Å; F180-T183 PolarHBondContact O-N 3.48Å; F180-T183 PolarHBondContact O-OG1 2.86Å; F180-T183 VanDerWaalsContact O-OG1 3.06Å
181H95.5Very high95.3Very high87 Ų8781.2 Ų81.240%0.40344%0.44SS..G310 helixtrans-55.4-26.1-178.369-86.5000114H178 T183 M184 R195H178-H181 PolarHBondContact O-N 3.22Å; H178-H181 PolarHBondContact O-ND1 2.92Å; H181-T183 PolarHBondContact O-N 3.44Å; H181-M184 HydrophobicContact CB-CE 4.1Å; H181-M184 WeakPolarHBondContact O-CE 3.48Å; H181-R195 PolarHBondContact O-NH2 3.27Å
182L95.9Very high95.5Very high84 Ų8486.8 Ų86.844%0.4446%0.455SS..G310 helixtrans-69.7-11.5176.6-64.4178.9000113.9F180 R188 A191F180-L182 PolarHBondContact O-N 3.34Å; L182-R188 VanDerWaalsContact O-CA 3.31Å; L182-R188 WeakPolarHBondContact O-CA 3.45Å; L182-A191 WeakPolarHBondContact O-CB 3.46Å
183T96.7Very high95.6Very high10 Ų1088.3 Ų88.36%0.06146%0.464CS..G310 helixtrans-122.212.9-176.759.50000114G173 L174 F180 H181 G185 G186 R188G173-T183 WeakPolarHBondContact O-CG2 3.21Å; G173-T183 PolarHBondContact O-OG1 3.3Å; L174-T183 HydrophobicContact CD2-CG2 4.4Å; F180-T183 PolarHBondContact O-N 3.48Å; F180-T183 PolarHBondContact O-OG1 2.86Å; F180-T183 VanDerWaalsContact O-OG1 3.06Å; H181-T183 PolarHBondContact O-N 3.44Å; T183-G185 PolarHBondContact O-N 3.29Å; T183-G186 PolarHBondContact O-N 2.95Å; T183-R188 HydrophobicContact CG2-CG 3.65Å
184M94.6Very high95.7Very high87 Ų8793.7 Ų93.743%0.42948%0.476SS..THydrogen-bonded Turntrans-57.1127.9173.2-68.6-169.5-69.900110.6H181 A191 R195H181-M184 HydrophobicContact CB-CE 4.1Å; H181-M184 WeakPolarHBondContact O-CE 3.48Å; M184-A191 WeakPolarHBondContact O-CA 3.32Å; M184-A191 VanDerWaalsContact O-CB 3.28Å; M184-A191 WeakPolarHBondContact O-CB 3.4Å; M184-R195 VanDerWaalsContact CE-NH2 3.26Å
185G92.4Very high95.8Very high72 Ų7296.4 Ų96.474%0.74248%0.482SS*.THydrogen-bonded Turntrans88.511-170.500000114.6T183T183-G185 PolarHBondContact O-N 3.29Å
186G93.9Very high95.9Very high41 Ų4199.1 Ų99.142%0.42349%0.486SS..SBendtrans100.7-16.5163.700000116.5R172 L174 T183R172-G186 PolarHBondContact NH2-O 3.39Å; L174-G186 WeakPolarHBondContact CD2-O 3.28Å; T183-G186 PolarHBondContact O-N 2.95Å
187S96.6Very high96Very high41 Ų4193.8 Ų93.829%0.28747%0.471SS..SBendtrans-155.8160.7172.273.40000112R189 A190 A191S187-R189 VanDerWaalsContact C-N 3.31Å; S187-R189 PolarHBondContact O-N 2.78Å; S187-A190 PolarHBondContact O-N 3.02Å; S187-A190 VanDerWaalsContact OG-CB 3.28Å; S187-A190 WeakPolarHBondContact OG-CB 3.41Å; S187-A190 PolarHBondContact OG-N 2.93Å; S187-A190 VanDerWaalsContact OG-N 3.1Å; S187-A191 WeakPolarHBondContact O-CB 3.34Å; S187-A191 PolarHBondContact O-N 3.06Å
188R96.1Very high96.1Very high151 Ų15197.6 Ų97.657%0.5748%0.477SS*.Hα-helixtrans-58.7-41.6176-66-173.9179.9-177.4-3.4112.8L182 T183 A191 W192L182-R188 VanDerWaalsContact O-CA 3.31Å; L182-R188 WeakPolarHBondContact O-CA 3.45Å; T183-R188 HydrophobicContact CG2-CG 3.65Å; R188-A191 PolarHBondContact O-N 3.04Å; R188-W192 WeakPolarHBondContact O-CB 3.41Å; R188-W192 PolarHBondContact O-N 3.15Å
189R96.5Very high96.1Very high184 Ų18496.9 Ų96.969%0.69447%0.473SS*.Hα-helixtrans-68.4-39.5178.9-170.2173.8-173.2176.10.2112S187 W192 K193S187-R189 VanDerWaalsContact C-N 3.31Å; S187-R189 PolarHBondContact O-N 2.78Å; R189-W192 PolarHBondContact O-N 3.02Å; R189-K193 WeakPolarHBondContact O-CB 3.12Å; R189-K193 WeakPolarHBondContact O-CG 3.39Å; R189-K193 PolarHBondContact O-N 3.09Å
190A96.6Very high96Very high38 Ų3894.7 Ų94.731%0.31447%0.469SS..Hα-helixtrans-63.9-45.1175.100000111.3S187 W192 K193 R194S187-A190 PolarHBondContact O-N 3.02Å; S187-A190 VanDerWaalsContact OG-CB 3.28Å; S187-A190 WeakPolarHBondContact OG-CB 3.41Å; S187-A190 PolarHBondContact OG-N 2.93Å; S187-A190 VanDerWaalsContact OG-N 3.1Å; A190-W192 PolarHBondContact O-N 3.12Å; A190-K193 PolarHBondContact O-N 3.34Å; A190-R194 WeakPolarHBondContact O-CB 3.28Å; A190-R194 PolarHBondContact O-N 3.04Å
191A97.1Very high96Very high1 Ų197 Ų971%0.00848%0.481CS..Hα-helixtrans-60.1-45.1175.900000112L182 M184 S187 R188 R195L182-A191 WeakPolarHBondContact O-CB 3.46Å; M184-A191 WeakPolarHBondContact O-CA 3.32Å; M184-A191 VanDerWaalsContact O-CB 3.28Å; M184-A191 WeakPolarHBondContact O-CB 3.4Å; S187-A191 WeakPolarHBondContact O-CB 3.34Å; S187-A191 PolarHBondContact O-N 3.06Å; R188-A191 PolarHBondContact O-N 3.04Å; A191-R195 WeakPolarHBondContact O-CG 3.48Å; A191-R195 PolarHBondContact O-N 2.89Å
192W97.3Very high95.9Very high160 Ų160103.3 Ų103.361%0.60650%0.501SS*.Hα-helixtrans-63.3-49.5177.4-178.887.4000111.6R188 R189 A190 R194 R195 N196R188-W192 WeakPolarHBondContact O-CB 3.41Å; R188-W192 PolarHBondContact O-N 3.15Å; R189-W192 PolarHBondContact O-N 3.02Å; A190-W192 PolarHBondContact O-N 3.12Å; W192-R194 PolarHBondContact O-N 3.07Å; W192-R195 PolarHBondContact O-N 3.26Å; W192-R195 VanDerWaalsContact O-N 3.12Å; W192-N196 HydrophobicContact CH2-CB 4.49Å; W192-N196 HydrophobicContact CZ2-CB 4.32Å; W192-N196 PolarHBondContact NE1-ND2 3.41Å; W192-N196 PolarHBondContact O-N 3.05Å; W192-N196 VanDerWaalsContact O-N 3.09Å; W192-N196 PolarHBondContact O-ND2 3.15Å
193K97.4Very high95.7Very high110 Ų110108 Ų10848%0.47851%0.514SS..Hα-helixtrans-55-51.9178.3-80.5-169.9175.6-165.50111.2R189 A190 R195 N196 T197R189-K193 WeakPolarHBondContact O-CB 3.12Å; R189-K193 WeakPolarHBondContact O-CG 3.39Å; R189-K193 PolarHBondContact O-N 3.09Å; A190-K193 PolarHBondContact O-N 3.34Å; K193-R195 PolarHBondContact O-N 2.73Å; K193-R195 VanDerWaalsContact O-N 3.15Å; K193-N196 CarbonylContact O-C 3.49Å; K193-N196 PolarHBondContact O-N 3.4Å; K193-T197 PolarHBondContact O-N 3.3Å; K193-T197 PolarHBondContact O-OG1 3.01Å
194R96.1Very high94.8Very high138 Ų138121 Ų12152%0.52156%0.562SS.*Hα-helixtrans-54.6-36.7179.4-176.4-179.163.11270.3113.3A190 W192A190-R194 WeakPolarHBondContact O-CB 3.28Å; A190-R194 PolarHBondContact O-N 3.04Å; W192-R194 PolarHBondContact O-N 3.07Å
195R95.9Very high94.8Very high123 Ų123122.7 Ų122.746%0.46457%0.569SS.*Hα-helixtrans-79.3-22.5180-71.8177.4-178.9158.85.3114.1H181 M184 A191 W192 K193H181-R195 PolarHBondContact O-NH2 3.27Å; M184-R195 VanDerWaalsContact CE-NH2 3.26Å; A191-R195 WeakPolarHBondContact O-CG 3.48Å; A191-R195 PolarHBondContact O-N 2.89Å; W192-R195 PolarHBondContact O-N 3.26Å; W192-R195 VanDerWaalsContact O-N 3.12Å; K193-R195 PolarHBondContact O-N 2.73Å; K193-R195 VanDerWaalsContact O-N 3.15Å
196N97.3Very high95Very high98 Ų98125.4 Ų125.452%0.52456%0.56SS.*Hα-helixtrans-108.49.3-176.5-66.2-93.6000111.8W192 K193W192-N196 HydrophobicContact CH2-CB 4.49Å; W192-N196 HydrophobicContact CZ2-CB 4.32Å; W192-N196 PolarHBondContact NE1-ND2 3.41Å; W192-N196 PolarHBondContact O-N 3.05Å; W192-N196 VanDerWaalsContact O-N 3.09Å; W192-N196 PolarHBondContact O-ND2 3.15Å; K193-N196 CarbonylContact O-C 3.49Å; K193-N196 PolarHBondContact O-N 3.4Å
197T96.9Very high95Very high90 Ų90130.1 Ų130.155%0.55257%0.567SS**SBendtrans-95.5115.2171.6-61.90000108.3K193 Q199K193-T197 PolarHBondContact O-N 3.3Å; K193-T197 PolarHBondContact O-OG1 3.01Å; T197-Q199 PolarHBondContact O-N 2.97Å
198L96.4Very high94.9Very high138 Ų138135.3 Ų135.372%0.72358%0.584SS**  trans-65.6124.8170-179.162.9000109L200L198-L200 HydrophobicContact CD2-CD1 4.35Å; L198-L200 HydrophobicContact CD2-CD2 3.76Å; L198-L200 HydrophobicContact CD2-CG 4.12Å; L198-L200 HydrophobicContact CG-CD2 3.86Å; L198-L200 HydrophobicContact CG-CG 4.06Å
199Q95.3Very high94.9Very high139 Ų139134.3 Ų134.365%0.6559%0.585SS**  trans-90.2112.7176.2-64.8-170.8-21.900109.1T197T197-Q199 PolarHBondContact O-N 2.97Å
200L95.9Very high94.8Very high119 Ų119131 Ų13162%0.62358%0.577SS**  trans-10998.1177.2-63.1178.6000108.3L198L198-L200 HydrophobicContact CD2-CD1 4.35Å; L198-L200 HydrophobicContact CD2-CD2 3.76Å; L198-L200 HydrophobicContact CD2-CG 4.12Å; L198-L200 HydrophobicContact CG-CD2 3.86Å; L198-L200 HydrophobicContact CG-CG 4.06Å
201H94.7Very high94.6Very high127 Ų127137.6 Ų137.659%0.58860%0.596SS**  trans-77.7149.8174.7-64.2-84.3000110.2Y203H201-Y203 WeakPolarHBondContact CB-O 3.4Å; H201-Y203 PolarHBondContact O-N 3.11Å
202R93.6Very high94.4Very high219 Ų219148.2 Ų148.283%0.82664%0.641SS**SBendtrans-59.6-37.4-178.6-177.2177.4179.6177.30.6112.2
203Y92.3Very high94.2Very high182 Ų182147.2 Ų147.271%0.71464%0.644SS**  trans-116.8131.6172.8-56.6-77.7000107H201H201-Y203 WeakPolarHBondContact CB-O 3.4Å; H201-Y203 PolarHBondContact O-N 3.11Å
204R78.5Confident93.9Very high283 Ų283150.5 Ų150.5100%1.06866%0.659SS**  trans-97.60177.5-68.3-174.5-177.5-177.62.7109.7

Retrieved 204 of 204 residues in 750.7 ms (Link to these results)

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