A0A060XMD6_ONCMY Loading...

Cytochrome P450, family 26, subfamily C, polypeptide 1

AlphaFold DB , UniProt , Accession A0A060XMD6, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110502548, Length 550 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
1M55.3Low67.6Low191 Ų191115.5 Ų115.594%0.94161%0.612SS**  0-57.70-148.8162.2-178.300111.1L3 L4 E5M1-L3 PolarHBondContact O-N 2.69Å; M1-L4 PolarHBondContact O-N 2.99Å; M1-L4 VanDerWaalsContact O-N 3.17Å; M1-E5 PolarHBondContact O-N 3.36Å
2F55.6Low69.3Low160 Ų160115.4 Ų115.470%0.70261%0.611SS**Hα-helixtrans-54-40.3179.2-116.5-94.4000116.6E5 L6F2-E5 PolarHBondContact O-N 3.39Å; F2-L6 HydrophobicContact CD1-CD1 4.45Å; F2-L6 PolarHBondContact O-N 3.02Å
3L53.8Low70.9Confident155 Ų155114.8 Ų114.881%0.81261%0.608SS**Hα-helixtrans-71.1-30.2179.9-74.9166.1000113.4M1 S7M1-L3 PolarHBondContact O-N 2.69Å; L3-S7 PolarHBondContact O-N 3.36Å
4L56.1Low72.4Confident111 Ų111113 Ų11358%0.58160%0.603SS**Hα-helixtrans-71-42.1173.6-97.4110.3000110.6M1 L6 S7 H8M1-L4 PolarHBondContact O-N 2.99Å; M1-L4 VanDerWaalsContact O-N 3.17Å; L4-L6 PolarHBondContact O-N 3.28Å; L4-S7 PolarHBondContact O-N 3.43Å; L4-S7 VanDerWaalsContact O-N 3.16Å; L4-S7 PolarHBondContact O-OG 3.15Å; L4-H8 PolarHBondContact O-CD2 3.45Å; L4-H8 PolarHBondContact O-N 3.36Å
5E59.5Low73.7Confident112 Ų112108.9 Ų108.952%0.52359%0.591SS.*Hα-helixtrans-62.2-40.9178.3-71.8-174.916300112.8M1 F2 S7 H8 L9M1-E5 PolarHBondContact O-N 3.36Å; F2-E5 PolarHBondContact O-N 3.39Å; E5-S7 VanDerWaalsContact C-N 3.32Å; E5-S7 PolarHBondContact O-N 3.11Å; E5-H8 PolarHBondContact O-N 3.11Å; E5-L9 WeakPolarHBondContact O-CB 3.23Å; E5-L9 PolarHBondContact O-N 2.81Å
6L64.4Low74.9Confident110 Ų110108.5 Ų108.558%0.57659%0.588SS**Hα-helixtrans-62.4-38.9173.7-11087.3000112.4F2 L4 L9 S10F2-L6 HydrophobicContact CD1-CD1 4.45Å; F2-L6 PolarHBondContact O-N 3.02Å; L4-L6 PolarHBondContact O-N 3.28Å; L6-L9 PolarHBondContact O-N 3.19Å; L6-S10 WeakPolarHBondContact O-CB 3.14Å; L6-S10 PolarHBondContact O-N 3.46Å
7S70.9Confident76Confident62 Ų62107.9 Ų107.943%0.43458%0.582SS.*Hα-helixtrans-67.9-38.7178.676.30000112.2L3 L4 E5 A11L3-S7 PolarHBondContact O-N 3.36Å; L4-S7 PolarHBondContact O-N 3.43Å; L4-S7 VanDerWaalsContact O-N 3.16Å; L4-S7 PolarHBondContact O-OG 3.15Å; E5-S7 VanDerWaalsContact C-N 3.32Å; E5-S7 PolarHBondContact O-N 3.11Å; S7-A11 VanDerWaalsContact O-CB 3.31Å; S7-A11 WeakPolarHBondContact O-CB 3.46Å; S7-A11 PolarHBondContact O-N 3Å
8H75.8Confident77Confident117 Ų117105.7 Ų105.754%0.54258%0.576SS.*Hα-helixtrans-68.2-39.6175.4-70.6-57.9000112L4 E5 A11 L12L4-H8 PolarHBondContact O-CD2 3.45Å; L4-H8 PolarHBondContact O-N 3.36Å; E5-H8 PolarHBondContact O-N 3.11Å; H8-A11 PolarHBondContact O-N 3.19Å; H8-L12 VanDerWaalsContact O-CB 3.29Å; H8-L12 WeakPolarHBondContact O-CB 2.89Å; H8-L12 PolarHBondContact O-N 3.4Å
9L81.9Confident77.9Confident121 Ų121104.7 Ų104.763%0.63457%0.574SS**Hα-helixtrans-65.3-43.2175.5-170.969.2000111.8E5 L6 L12 L13E5-L9 WeakPolarHBondContact O-CB 3.23Å; E5-L9 PolarHBondContact O-N 2.81Å; L6-L9 PolarHBondContact O-N 3.19Å; L9-L12 PolarHBondContact O-N 2.94Å; L9-L13 WeakPolarHBondContact O-CB 3.12Å; L9-L13 PolarHBondContact O-N 2.9Å
10S84.1Confident78.8Confident72 Ų72103.5 Ų103.550%0.50357%0.566SS.*Hα-helixtrans-64.5-40.8175.8-174.80000112.2L6 T14L6-S10 WeakPolarHBondContact O-CB 3.14Å; L6-S10 PolarHBondContact O-N 3.46Å; S10-T14 WeakPolarHBondContact O-CB 3.37Å; S10-T14 PolarHBondContact O-N 3.11Å; S10-T14 PolarHBondContact O-OG1 3.34Å
11A85.6Confident79.6Confident59 Ų59101.4 Ų101.449%0.48856%0.559SS.*Hα-helixtrans-64.6-42.6175.500000111.3S7 H8 T14 A15S7-A11 VanDerWaalsContact O-CB 3.31Å; S7-A11 WeakPolarHBondContact O-CB 3.46Å; S7-A11 PolarHBondContact O-N 3Å; H8-A11 PolarHBondContact O-N 3.19Å; A11-T14 PolarHBondContact O-N 3.39Å; A11-A15 WeakPolarHBondContact O-CB 3.32Å; A11-A15 PolarHBondContact O-N 3.26Å
12L88.5Confident81.4Confident115 Ų11594.6 Ų94.660%0.60253%0.533SS*.Hα-helixtrans-65.9-41.3177.9-168.2144.9000111.9H8 L9 A15 L16H8-L12 VanDerWaalsContact O-CB 3.29Å; H8-L12 WeakPolarHBondContact O-CB 2.89Å; H8-L12 PolarHBondContact O-N 3.4Å; L9-L12 PolarHBondContact O-N 2.94Å; L12-A15 PolarHBondContact O-N 2.78Å; L12-L16 WeakPolarHBondContact O-CB 3.17Å; L12-L16 PolarHBondContact O-N 3.48Å
13L90.4Very high83.3Confident108 Ų10891.8 Ų91.857%0.56553%0.525SS*.Hα-helixtrans-64.7-41.6175.4-168.771.1000111.6L9 L16 M17L9-L13 WeakPolarHBondContact O-CB 3.12Å; L9-L13 PolarHBondContact O-N 2.9Å; L13-L16 PolarHBondContact O-N 2.87Å; L13-M17 WeakPolarHBondContact O-CB 3.21Å; L13-M17 VanDerWaalsContact O-CG 3.29Å; L13-M17 WeakPolarHBondContact O-CG 3.34Å; L13-M17 PolarHBondContact O-N 2.85Å
14T91.2Very high85.2Confident89 Ų8988.9 Ų88.955%0.54651%0.509SS..Hα-helixtrans-65-41.1176.4-54.70000111.5S10 A11 S18S10-T14 WeakPolarHBondContact O-CB 3.37Å; S10-T14 PolarHBondContact O-N 3.11Å; S10-T14 PolarHBondContact O-OG1 3.34Å; A11-T14 PolarHBondContact O-N 3.39Å; T14-S18 WeakPolarHBondContact O-CB 3.35Å; T14-S18 PolarHBondContact O-N 3.31Å; T14-S18 PolarHBondContact O-OG 2.93Å
15A92.1Very high87Confident51 Ų5189.5 Ų89.542%0.42151%0.512SS..Hα-helixtrans-63.2-41.6173.500000111.6A11 L12 S18 V19A11-A15 WeakPolarHBondContact O-CB 3.32Å; A11-A15 PolarHBondContact O-N 3.26Å; L12-A15 PolarHBondContact O-N 2.78Å; A15-S18 PolarHBondContact O-N 3.3Å; A15-S18 PolarHBondContact O-OG 3.49Å; A15-V19 WeakPolarHBondContact O-CB 3.17Å; A15-V19 VanDerWaalsContact O-CG2 3.23Å; A15-V19 WeakPolarHBondContact O-CG2 3.23Å; A15-V19 PolarHBondContact O-N 3.14Å
16L93.2Very high88.6Confident103 Ų10388.5 Ų88.554%0.53951%0.51SS..Hα-helixtrans-68.2-41.3179.2-165129.7000111.9L12 L13 V19 L20L12-L16 WeakPolarHBondContact O-CB 3.17Å; L12-L16 PolarHBondContact O-N 3.48Å; L13-L16 PolarHBondContact O-N 2.87Å; L16-V19 PolarHBondContact O-N 2.96Å; L16-L20 WeakPolarHBondContact O-CB 3.4Å; L16-L20 PolarHBondContact O-N 3.01Å
17M93.7Very high89.9Confident98 Ų9885.9 Ų85.948%0.48350%0.504SS..Hα-helixtrans-68.1-35.7176-70-56.9-66.100112.7L13 L20 S21L13-M17 WeakPolarHBondContact O-CB 3.21Å; L13-M17 VanDerWaalsContact O-CG 3.29Å; L13-M17 WeakPolarHBondContact O-CG 3.34Å; L13-M17 PolarHBondContact O-N 2.85Å; M17-L20 HydrophobicContact SD-CD2 4.4Å; M17-S21 VanDerWaalsContact O-CB 3.3Å; M17-S21 WeakPolarHBondContact O-CB 3.32Å; M17-S21 PolarHBondContact O-N 2.73Å; M17-S21 PolarHBondContact O-OG 3.2Å
18S93.8Very high91Very high69 Ų6986.1 Ų86.148%0.48350%0.503SS..Hα-helixtrans-69.6-41.2175.467.60000111.7T14 A15 S21 A22T14-S18 WeakPolarHBondContact O-CB 3.35Å; T14-S18 PolarHBondContact O-N 3.31Å; T14-S18 PolarHBondContact O-OG 2.93Å; A15-S18 PolarHBondContact O-N 3.3Å; A15-S18 PolarHBondContact O-OG 3.49Å; S18-S21 PolarHBondContact O-N 3.18Å; S18-A22 WeakPolarHBondContact O-CB 3.42Å; S18-A22 PolarHBondContact O-N 3.28Å
19V94.5Very high91.8Very high87 Ų8783 Ų8353%0.52749%0.494SS..Hα-helixtrans-61-47.4171.91710000110.7A15 L16 S21 A22 L23A15-V19 WeakPolarHBondContact O-CB 3.17Å; A15-V19 VanDerWaalsContact O-CG2 3.23Å; A15-V19 WeakPolarHBondContact O-CG2 3.23Å; A15-V19 PolarHBondContact O-N 3.14Å; L16-V19 PolarHBondContact O-N 2.96Å; V19-S21 VanDerWaalsContact C-N 3.35Å; V19-S21 PolarHBondContact O-N 3.47Å; V19-A22 PolarHBondContact O-N 3.19Å; V19-L23 HydrophobicContact CG1-CD1 4.07Å; V19-L23 HydrophobicContact CG1-CG 4.43Å; V19-L23 VanDerWaalsContact O-CG 3.31Å; V19-L23 WeakPolarHBondContact O-CG 3.45Å; V19-L23 PolarHBondContact O-N 3.45Å
20L95.6Very high92.2Very high80 Ų8084 Ų8442%0.41949%0.489SS..Hα-helixtrans-60.3-44.5177.3-177.962.4000111.8L16 M17 A22 L23 I24L16-L20 WeakPolarHBondContact O-CB 3.4Å; L16-L20 PolarHBondContact O-N 3.01Å; M17-L20 HydrophobicContact SD-CD2 4.4Å; L20-A22 VanDerWaalsContact C-N 3.34Å; L20-A22 PolarHBondContact O-N 3.13Å; L20-L23 PolarHBondContact O-N 3.22Å; L20-I24 HydrophobicContact CD1-CD1 4.27Å; L20-I24 HydrophobicContact CG-CD1 4.04Å; L20-I24 WeakPolarHBondContact O-CG1 3.41Å; L20-I24 PolarHBondContact O-N 2.92Å
21S94.9Very high92.5Very high60 Ų6087.5 Ų87.542%0.4250%0.498SS..Hα-helixtrans-61.5-43.1177-60.20000111.4M17 S18 V19 I24 L25M17-S21 VanDerWaalsContact O-CB 3.3Å; M17-S21 WeakPolarHBondContact O-CB 3.32Å; M17-S21 PolarHBondContact O-N 2.73Å; M17-S21 PolarHBondContact O-OG 3.2Å; S18-S21 PolarHBondContact O-N 3.18Å; V19-S21 VanDerWaalsContact C-N 3.35Å; V19-S21 PolarHBondContact O-N 3.47Å; S21-I24 PolarHBondContact O-N 3.46Å; S21-L25 WeakPolarHBondContact O-CB 3.4Å; S21-L25 WeakPolarHBondContact O-CG 3.36Å; S21-L25 PolarHBondContact O-N 3.47Å
22A93.9Very high92.9Very high47 Ų4789.9 Ų89.939%0.38850%0.502SS..Hα-helixtrans-62.4-42.2175.600000111.9S18 V19 L20 L25 L26S18-A22 WeakPolarHBondContact O-CB 3.42Å; S18-A22 PolarHBondContact O-N 3.28Å; V19-A22 PolarHBondContact O-N 3.19Å; L20-A22 VanDerWaalsContact C-N 3.34Å; L20-A22 PolarHBondContact O-N 3.13Å; A22-L25 PolarHBondContact O-N 3.45Å; A22-L26 WeakPolarHBondContact O-CB 3.49Å; A22-L26 VanDerWaalsContact O-CG 3.26Å; A22-L26 WeakPolarHBondContact O-CG 3.25Å; A22-L26 PolarHBondContact O-N 3.4Å
23L94.4Very high93.1Very high102 Ų10285.8 Ų85.853%0.53448%0.478SS..Hα-helixtrans-64.5-41.9176.8-70.5173.6000112.2V19 L20 L26 A27V19-L23 HydrophobicContact CG1-CD1 4.07Å; V19-L23 HydrophobicContact CG1-CG 4.43Å; V19-L23 VanDerWaalsContact O-CG 3.31Å; V19-L23 WeakPolarHBondContact O-CG 3.45Å; V19-L23 PolarHBondContact O-N 3.45Å; L20-L23 PolarHBondContact O-N 3.22Å; L23-L26 PolarHBondContact O-N 2.93Å; L23-A27 WeakPolarHBondContact O-CB 3.32Å; L23-A27 PolarHBondContact O-N 3.2Å
24I95.1Very high92.9Very high93 Ų9384.5 Ų84.548%0.47748%0.475SS..Hα-helixtrans-63.7-46.8175.7-68.1167.5000110.4L20 S21 L26 A27 V28L20-I24 HydrophobicContact CD1-CD1 4.27Å; L20-I24 HydrophobicContact CG-CD1 4.04Å; L20-I24 WeakPolarHBondContact O-CG1 3.41Å; L20-I24 PolarHBondContact O-N 2.92Å; S21-I24 PolarHBondContact O-N 3.46Å; I24-L26 VanDerWaalsContact C-N 3.29Å; I24-L26 PolarHBondContact O-N 3.48Å; I24-A27 PolarHBondContact O-N 3.14Å; I24-A27 VanDerWaalsContact O-N 3.15Å; I24-V28 HydrophobicContact CG2-CG2 4.23Å; I24-V28 WeakPolarHBondContact O-CG2 3.33Å; I24-V28 PolarHBondContact O-N 3.14Å
25L94.3Very high92.9Very high124 Ų12486.3 Ų86.365%0.64948%0.476SS*.Hα-helixtrans-59.7-40.6176.9-74.6172.5000111.8S21 A22 S29S21-L25 WeakPolarHBondContact O-CB 3.4Å; S21-L25 WeakPolarHBondContact O-CG 3.36Å; S21-L25 PolarHBondContact O-N 3.47Å; A22-L25 PolarHBondContact O-N 3.45Å; L25-S29 WeakPolarHBondContact O-CB 3.22Å; L25-S29 PolarHBondContact O-N 3.02Å
26L92Very high92.9Very high92 Ų9290.4 Ų90.448%0.48248%0.48SS..Hα-helixtrans-63.8-43174.6-75.1169.7000112A22 L23 I24 R30A22-L26 WeakPolarHBondContact O-CB 3.49Å; A22-L26 VanDerWaalsContact O-CG 3.26Å; A22-L26 WeakPolarHBondContact O-CG 3.25Å; A22-L26 PolarHBondContact O-N 3.4Å; L23-L26 PolarHBondContact O-N 2.93Å; I24-L26 VanDerWaalsContact C-N 3.29Å; I24-L26 PolarHBondContact O-N 3.48Å; L26-R30 WeakPolarHBondContact O-CB 3.47Å; L26-R30 PolarHBondContact O-N 2.95Å
27A91.9Very high92.7Very high54 Ų5486.4 Ų86.445%0.44646%0.458SS..Hα-helixtrans-64.7-47.1177.900000111.9L23 I24 R30 Q31L23-A27 WeakPolarHBondContact O-CB 3.32Å; L23-A27 PolarHBondContact O-N 3.2Å; I24-A27 PolarHBondContact O-N 3.14Å; I24-A27 VanDerWaalsContact O-N 3.15Å; A27-R30 PolarHBondContact O-N 2.9Å; A27-Q31 PolarHBondContact O-N 3.44Å
28V94.1Very high92.3Very high68 Ų6885.4 Ų85.441%0.41246%0.457SS..Hα-helixtrans-62.1-46.5176.2172.80000110.4I24 R30 Q31 L32I24-V28 HydrophobicContact CG2-CG2 4.23Å; I24-V28 WeakPolarHBondContact O-CG2 3.33Å; I24-V28 PolarHBondContact O-N 3.14Å; V28-R30 VanDerWaalsContact C-N 3.29Å; V28-R30 PolarHBondContact O-N 2.56Å; V28-Q31 PolarHBondContact O-N 2.66Å; V28-Q31 VanDerWaalsContact O-N 3.13Å; V28-L32 HydrophobicContact CG1-CD1 3.84Å; V28-L32 HydrophobicContact CG1-CG 4.15Å; V28-L32 WeakPolarHBondContact O-CB 3.38Å; V28-L32 WeakPolarHBondContact O-CG 3.32Å; V28-L32 PolarHBondContact O-N 2.77Å
29S93.2Very high92.1Very high52 Ų5286 Ų8636%0.36446%0.455SS..Hα-helixtrans-56.9-42.5176.5-178.90000111.8L25 W33 P57L25-S29 WeakPolarHBondContact O-CB 3.22Å; L25-S29 PolarHBondContact O-N 3.02Å; S29-W33 VanDerWaalsContact O-CB 3.27Å; S29-W33 WeakPolarHBondContact O-CB 3.46Å; S29-W33 PolarHBondContact O-N 3.5Å; S29-P57 WeakPolarHBondContact OG-CG 3.38Å
30R89.3Confident91.7Very high140 Ų14086.4 Ų86.453%0.52845%0.452SS..Hα-helixtrans-67.1-39.2175.7-176.4176.7172.9139.1-3.6113L26 A27 V28 W33 T34L26-R30 WeakPolarHBondContact O-CB 3.47Å; L26-R30 PolarHBondContact O-N 2.95Å; A27-R30 PolarHBondContact O-N 2.9Å; V28-R30 VanDerWaalsContact C-N 3.29Å; V28-R30 PolarHBondContact O-N 2.56Å; R30-W33 PolarHBondContact O-N 3.16Å; R30-T34 PolarHBondContact O-N 3.28Å; R30-T34 PolarHBondContact O-OG1 3.25Å
31Q90.8Very high91.5Very high146 Ų14688.3 Ų88.368%0.68245%0.453SS*.Hα-helixtrans-66.8-47175.4-75.2-168.9-1.700111.5A27 V28 W33 T34 F35A27-Q31 PolarHBondContact O-N 3.44Å; V28-Q31 PolarHBondContact O-N 2.66Å; V28-Q31 VanDerWaalsContact O-N 3.13Å; Q31-W33 VanDerWaalsContact C-N 3.27Å; Q31-W33 PolarHBondContact O-N 3.14Å; Q31-T34 PolarHBondContact O-N 2.83Å; Q31-T34 VanDerWaalsContact O-N 3.11Å; Q31-F35 WeakPolarHBondContact O-CB 3.37Å; Q31-F35 PolarHBondContact O-N 3.46Å
32L93.4Very high91.4Very high109 Ų10987.4 Ų87.457%0.57144%0.444SS*.Hα-helixtrans-59.7-38.9175.4-70176.8000111.7V28 F35 R36V28-L32 HydrophobicContact CG1-CD1 3.84Å; V28-L32 HydrophobicContact CG1-CG 4.15Å; V28-L32 WeakPolarHBondContact O-CB 3.38Å; V28-L32 WeakPolarHBondContact O-CG 3.32Å; V28-L32 PolarHBondContact O-N 2.77Å; L32-F35 PolarHBondContact O-N 3.1Å; L32-R36 WeakPolarHBondContact O-CB 3.33Å; L32-R36 PolarHBondContact O-N 3.4Å
33W92.6Very high91.3Very high29 Ų2993.1 Ų93.111%0.1146%0.46CS..Hα-helixtrans-60.9-46173.5-176.6-115.2000112.2S29 R30 Q31 R36 W37 M54 G55 P57 H87S29-W33 VanDerWaalsContact O-CB 3.27Å; S29-W33 WeakPolarHBondContact O-CB 3.46Å; S29-W33 PolarHBondContact O-N 3.5Å; R30-W33 PolarHBondContact O-N 3.16Å; Q31-W33 VanDerWaalsContact C-N 3.27Å; Q31-W33 PolarHBondContact O-N 3.14Å; W33-R36 WeakPolarHBondContact O-CB 3.47Å; W33-R36 PolarHBondContact O-N 3.44Å; W33-W37 AromaticContact CD1-NE1 3.91Å; W33-W37 AromaticContact CD2-NE1 3.45Å; W33-W37 AromaticContact CE2-CE2 3.96Å; W33-W37 AromaticContact CE2-NE1 3.11Å; W33-W37 AromaticContact CE3-NE1 3.99Å; W33-W37 AromaticContact CG-NE1 3.97Å; W33-W37 AromaticContact CH2-CE2 3.99Å; W33-W37 AromaticContact CH2-CZ2 3.44Å; W33-W37 HydrophobicContact CH2-CZ2 3.44Å; W33-W37 VanDerWaalsContact CH2-CZ2 3.44Å; W33-W37 AromaticContact CH2-NE1 3.94Å; W33-W37 AromaticContact CZ2-CE2 3.77Å; W33-W37 AromaticContact CZ2-CZ2 3.55Å; W33-W37 HydrophobicContact CZ2-CZ2 3.55Å; W33-W37 AromaticContact CZ2-NE1 3.39Å; W33-W37 HydrophobicContact CZ3-CZ2 4.02Å; W33-W37 AromaticContact NE1-NE1 3.4Å; W33-W37 PolarHBondContact O-N 3.02Å; W33-M54 PolarHBondContact NE1-O 3.16Å; W33-G55 VanDerWaalsContact CD1-O 3.28Å; W33-G55 PolarHBondContact NE1-O 3.38Å; W33-P57 HydrophobicContact CB-CG 4.02Å; W33-P57 HydrophobicContact CD2-CB 4.15Å; W33-P57 HydrophobicContact CD2-CG 4.34Å; W33-P57 HydrophobicContact CE3-CB 4.06Å; W33-P57 HydrophobicContact CG-CB 4.42Å; W33-P57 HydrophobicContact CG-CG 4.1Å; W33-H87 AromaticContact CH2-NE2 3.82Å; W33-H87 AromaticContact CZ2-CD2 3.98Å; W33-H87 AromaticContact CZ2-NE2 3.95Å
34T87.6Confident91.3Very high82 Ų8297 Ų9750%0.50348%0.476SS..Hα-helixtrans-65.3-41.6177.7-52.60000111.4R30 Q31 W37 T38R30-T34 PolarHBondContact O-N 3.28Å; R30-T34 PolarHBondContact O-OG1 3.25Å; Q31-T34 PolarHBondContact O-N 2.83Å; Q31-T34 VanDerWaalsContact O-N 3.11Å; T34-W37 PolarHBondContact O-N 3.2Å; T34-T38 PolarHBondContact O-N 3.36Å; T34-T38 PolarHBondContact O-OG1 2.96Å
35F90.3Very high91.1Very high126 Ų12694 Ų9455%0.55346%0.462SS*.Hα-helixtrans-64.7-42.7178.3-174.7-117000112.1Q31 L32 W37 T38 I39Q31-F35 WeakPolarHBondContact O-CB 3.37Å; Q31-F35 PolarHBondContact O-N 3.46Å; L32-F35 PolarHBondContact O-N 3.1Å; F35-W37 VanDerWaalsContact C-N 3.28Å; F35-W37 PolarHBondContact O-N 3.18Å; F35-T38 WeakPolarHBondContact O-CB 3.45Å; F35-T38 PolarHBondContact O-N 2.94Å; F35-I39 HydrophobicContact CD1-CD1 3.6Å; F35-I39 HydrophobicContact CD1-CG1 4.49Å; F35-I39 HydrophobicContact CE1-CD1 3.17Å; F35-I39 HydrophobicContact CE1-CG1 4.17Å; F35-I39 HydrophobicContact CE2-CD1 4.17Å; F35-I39 HydrophobicContact CE2-CG1 4.35Å; F35-I39 HydrophobicContact CG-CD1 4.28Å; F35-I39 HydrophobicContact CZ-CD1 3.49Å; F35-I39 VanDerWaalsContact CZ-CD1 3.49Å; F35-I39 HydrophobicContact CZ-CG1 4.08Å; F35-I39 PolarHBondContact O-N 3.16Å
36R92.6Very high91.1Very high138 Ų13897.9 Ų97.952%0.52147%0.474SS..Hα-helixtrans-49.4-49.3173.8175.5-173.317588.51.9111.2L32 W33 T38 I39 M40L32-R36 WeakPolarHBondContact O-CB 3.33Å; L32-R36 PolarHBondContact O-N 3.4Å; W33-R36 WeakPolarHBondContact O-CB 3.47Å; W33-R36 PolarHBondContact O-N 3.44Å; R36-T38 VanDerWaalsContact C-N 3.33Å; R36-T38 PolarHBondContact O-N 3.01Å; R36-I39 PolarHBondContact O-N 3.44Å; R36-M40 HydrophobicContact CG-CG 4.43Å; R36-M40 WeakPolarHBondContact O-CB 3.39Å; R36-M40 VanDerWaalsContact O-CG 3.28Å; R36-M40 WeakPolarHBondContact O-CG 3.4Å; R36-M40 PolarHBondContact O-N 3.17Å
37W89.8Confident91.3Very high19 Ų1997.2 Ų97.27%0.07247%0.467CS..Hα-helixtrans-70.7-30.9-177.7-61.8118.9000113.4W33 T34 F35 I39 M40 R41 L49 M54 H87 P92 W443W33-W37 AromaticContact CD1-NE1 3.91Å; W33-W37 AromaticContact CD2-NE1 3.45Å; W33-W37 AromaticContact CE2-CE2 3.96Å; W33-W37 AromaticContact CE2-NE1 3.11Å; W33-W37 AromaticContact CE3-NE1 3.99Å; W33-W37 AromaticContact CG-NE1 3.97Å; W33-W37 AromaticContact CH2-CE2 3.99Å; W33-W37 AromaticContact CH2-CZ2 3.44Å; W33-W37 HydrophobicContact CH2-CZ2 3.44Å; W33-W37 VanDerWaalsContact CH2-CZ2 3.44Å; W33-W37 AromaticContact CH2-NE1 3.94Å; W33-W37 AromaticContact CZ2-CE2 3.77Å; W33-W37 AromaticContact CZ2-CZ2 3.55Å; W33-W37 HydrophobicContact CZ2-CZ2 3.55Å; W33-W37 AromaticContact CZ2-NE1 3.39Å; W33-W37 HydrophobicContact CZ3-CZ2 4.02Å; W33-W37 AromaticContact NE1-NE1 3.4Å; W33-W37 PolarHBondContact O-N 3.02Å; T34-W37 PolarHBondContact O-N 3.2Å; F35-W37 VanDerWaalsContact C-N 3.28Å; F35-W37 PolarHBondContact O-N 3.18Å; W37-I39 VanDerWaalsContact C-N 3.32Å; W37-M40 HydrophobicContact CE3-CB 4.28Å; W37-M40 HydrophobicContact CE3-CG 4.46Å; W37-M40 PolarHBondContact O-N 3.06Å; W37-R41 PolarHBondContact O-N 3.46Å; W37-L49 WeakPolarHBondContact O-CD1 3.5Å; W37-M54 HydrophobicContact CB-CE 4.47Å; W37-M54 HydrophobicContact CB-CG 4.31Å; W37-M54 VanDerWaalsContact CD1-CG 3.48Å; W37-M54 HydrophobicContact CD2-CE 3.42Å; W37-M54 VanDerWaalsContact CD2-CE 3.42Å; W37-M54 HydrophobicContact CD2-CG 4.32Å; W37-M54 HydrophobicContact CE3-CE 3.65Å; W37-M54 HydrophobicContact CG-CB 4.29Å; W37-M54 HydrophobicContact CG-CE 3.8Å; W37-M54 HydrophobicContact CG-CG 3.78Å; W37-M54 HydrophobicContact CH2-CE 4.28Å; W37-M54 HydrophobicContact CZ2-CE 4.09Å; W37-M54 HydrophobicContact CZ3-CE 4.08Å; W37-H87 AromaticContact CH2-CD2 3.88Å; W37-H87 AromaticContact CZ2-CD2 3.52Å; W37-H87 AromaticContact CZ2-NE2 3.77Å; W37-P92 HydrophobicContact CH2-CB 4.11Å; W37-P92 HydrophobicContact CH2-CG 4.2Å; W37-P92 HydrophobicContact CZ3-CB 3.97Å; W37-P92 HydrophobicContact CZ3-CG 4.04Å; W37-W443 HydrophobicContact CE3-CH2 4.19Å; W37-W443 AromaticContact CE3-CZ2 3.82Å; W37-W443 HydrophobicContact CE3-CZ2 3.82Å; W37-W443 HydrophobicContact CZ3-CZ2 4.19Å
38T84.6Confident91.5Very high76 Ų7698 Ų9847%0.46647%0.467SS..Hα-helixtrans-66.9-37174.3-51.80000111.2T34 F35 R36 R41T34-T38 PolarHBondContact O-N 3.36Å; T34-T38 PolarHBondContact O-OG1 2.96Å; F35-T38 WeakPolarHBondContact O-CB 3.45Å; F35-T38 PolarHBondContact O-N 2.94Å; R36-T38 VanDerWaalsContact C-N 3.33Å; R36-T38 PolarHBondContact O-N 3.01Å; T38-R41 VanDerWaalsContact O-CG 3.28Å; T38-R41 WeakPolarHBondContact O-CG 3.29Å
39I88.8Confident91.5Very high83 Ų8395.9 Ų95.943%0.42645%0.454SS..Hα-helixtrans-70.6-37.6173.4-69169.1000111.7F35 R36 W37 R41F35-I39 HydrophobicContact CD1-CD1 3.6Å; F35-I39 HydrophobicContact CD1-CG1 4.49Å; F35-I39 HydrophobicContact CE1-CD1 3.17Å; F35-I39 HydrophobicContact CE1-CG1 4.17Å; F35-I39 HydrophobicContact CE2-CD1 4.17Å; F35-I39 HydrophobicContact CE2-CG1 4.35Å; F35-I39 HydrophobicContact CG-CD1 4.28Å; F35-I39 HydrophobicContact CZ-CD1 3.49Å; F35-I39 VanDerWaalsContact CZ-CD1 3.49Å; F35-I39 HydrophobicContact CZ-CG1 4.08Å; F35-I39 PolarHBondContact O-N 3.16Å; R36-I39 PolarHBondContact O-N 3.44Å; W37-I39 VanDerWaalsContact C-N 3.32Å; I39-R41 PolarHBondContact O-N 2.9Å
40M87.4Confident91.7Very high94 Ų9493.5 Ų93.546%0.46344%0.437SS..THydrogen-bonded Turntrans-73.8-1.2-177.7-73.7-55.3-3600114.5R36 W37R36-M40 HydrophobicContact CG-CG 4.43Å; R36-M40 WeakPolarHBondContact O-CB 3.39Å; R36-M40 VanDerWaalsContact O-CG 3.28Å; R36-M40 WeakPolarHBondContact O-CG 3.4Å; R36-M40 PolarHBondContact O-N 3.17Å; W37-M40 HydrophobicContact CE3-CB 4.28Å; W37-M40 HydrophobicContact CE3-CG 4.46Å; W37-M40 PolarHBondContact O-N 3.06Å
41R91.1Very high92Very high120 Ų12090.7 Ų90.745%0.45343%0.433SS..SBendtrans-63.7152.6169.482.6-178.3-178.5164.4-0.4110W37 T38 I39 K43 L49W37-R41 PolarHBondContact O-N 3.46Å; T38-R41 VanDerWaalsContact O-CG 3.28Å; T38-R41 WeakPolarHBondContact O-CG 3.29Å; I39-R41 PolarHBondContact O-N 2.9Å; R41-K43 PolarHBondContact O-N 2.99Å; R41-L49 HydrophobicContact CB-CD1 3.93Å; R41-L49 HydrophobicContact CB-CD2 4.27Å; R41-L49 HydrophobicContact CB-CG 3.93Å
42D93.2Very high92.2Very high42 Ų4284.7 Ų84.723%0.22541%0.41CS..  trans-69.7120.1166.4-166.2-26.7000109.2E44 C45 T431 Q438D42-E44 WeakPolarHBondContact OD1-CB 3.32Å; D42-E44 PolarHBondContact OD1-N 3.37Å; D42-C45 HydrophobicContact CB-CB 4.07Å; D42-T431 HydrophobicContact CB-CG2 3.85Å; D42-T431 WeakPolarHBondContact OD2-CB 3.43Å; D42-T431 WeakPolarHBondContact OD2-CG2 3.37Å; D42-T431 PolarHBondContact OD2-OG1 3.4Å; D42-Q438 PolarHBondContact O-NE2 3.39Å; D42-Q438 PolarHBondContact O-OE1 2.85Å
43K91.9Very high92.2Very high167 Ų16781.9 Ų81.973%0.72640%0.399SS*.SBendtrans-81.7-20.6-178.7-65.5-177.4-177.4177.40112.7R41 C45R41-K43 PolarHBondContact O-N 2.99Å; K43-C45 VanDerWaalsContact C-N 3.29Å
44E92.8Very high92.2Very high184 Ų18481 Ų8186%0.8640%0.397SS*.SBendtrans-77.7-23.8176.2-59-173.2157.500110.7D42D42-E44 WeakPolarHBondContact OD1-CB 3.32Å; D42-E44 PolarHBondContact OD1-N 3.37Å
45C92.4Very high92.5Very high28 Ų2878 Ų7819%0.18938%0.382CS..  trans-81.3125174.9-164.20000111.8D42 K43 F47 T431 Q438D42-C45 HydrophobicContact CB-CB 4.07Å; K43-C45 VanDerWaalsContact C-N 3.29Å; C45-F47 VanDerWaalsContact C-N 3.28Å; C45-F47 PolarHBondContact O-N 3.32Å; C45-T431 HydrophobicContact CB-CG2 4Å; C45-Q438 HydrophobicContact CB-CB 4.08Å; C45-Q438 VanDerWaalsContact SG-CB 3.51Å
46K94.2Very high92.6Very high206 Ų20677.8 Ų77.890%0.89638%0.377SS*.  trans-71.4-21.2-179.8-62.2-179.2-178.3178.20113.6
47F96.1Very high92.4Very high78 Ų7872.8 Ų72.834%0.34236%0.363SS..SBendtrans-80.1146.7-176-65.6-70.1000112.1C45 E433 G436 Q438C45-F47 VanDerWaalsContact C-N 3.28Å; C45-F47 PolarHBondContact O-N 3.32Å; F47-E433 HydrophobicContact CD1-CG 4.44Å; F47-E433 HydrophobicContact CD2-CB 4.06Å; F47-E433 HydrophobicContact CD2-CG 3.65Å; F47-E433 HydrophobicContact CE1-CG 4.35Å; F47-E433 HydrophobicContact CE2-CB 3.99Å; F47-E433 HydrophobicContact CE2-CG 3.54Å; F47-E433 WeakPolarHBondContact CE2-OE2 3.24Å; F47-E433 HydrophobicContact CG-CG 4.1Å; F47-E433 VanDerWaalsContact CZ-CD 3.44Å; F47-E433 HydrophobicContact CZ-CG 3.91Å; F47-E433 WeakPolarHBondContact CZ-OE2 3.13Å; F47-G436 WeakPolarHBondContact CB-O 3.26Å; F47-G436 WeakPolarHBondContact CD1-O 3.29Å; F47-Q438 HydrophobicContact CB-CB 4.23Å; F47-Q438 WeakPolarHBondContact O-CG 3.37Å; F47-Q438 PolarHBondContact O-NE2 3.43Å
48P94.9Very high92Very high70 Ų7078.5 Ų78.546%0.45539%0.394SS..PPolyproline II helixtrans-71.3163174.530.9-35000111.7Y437 Q438P48-Y437 HydrophobicContact CG-CD1 4.02Å; P48-Y437 HydrophobicContact CG-CE1 4.26Å; P48-Y437 CarbonylContact O-C 3.49Å; P48-Y437 WeakPolarHBondContact O-CA 3.42Å; P48-Q438 WeakPolarHBondContact O-CG 3.37Å; P48-Q438 PolarHBondContact O-N 3.05Å
49L95.6Very high92.2Very high25 Ų2577.8 Ų77.813%0.13139%0.39CS..PPolyproline II helixtrans-63.7150166.6-73.4170.8000110W37 R41 K85 Y437 Q438 P440 W443W37-L49 WeakPolarHBondContact O-CD1 3.5Å; R41-L49 HydrophobicContact CB-CD1 3.93Å; R41-L49 HydrophobicContact CB-CD2 4.27Å; R41-L49 HydrophobicContact CB-CG 3.93Å; L49-K85 HydrophobicContact CB-CD 4.26Å; L49-Y437 WeakPolarHBondContact O-CD1 3.38Å; L49-Q438 HydrophobicContact CD2-CG 3.99Å; L49-Q438 HydrophobicContact CG-CG 4.4Å; L49-P440 HydrophobicContact CD2-CG 3.4Å; L49-P440 VanDerWaalsContact CD2-CG 3.4Å; L49-W443 HydrophobicContact CD1-CH2 4.43Å; L49-W443 HydrophobicContact CD2-CH2 4.2Å; L49-W443 HydrophobicContact CD2-CZ2 4.49Å
50P96.3Very high92.4Very high1 Ų174 Ų741%0.00637%0.371CS..PPolyproline II helixtrans-52.3148.3173.1-25.832.6000112.2V83 K85 I94 Y437 Q438 I439P50-V83 HydrophobicContact CB-CG1 4.09Å; P50-V83 HydrophobicContact CG-CG1 3.87Å; P50-K85 HydrophobicContact CB-CB 4.36Å; P50-K85 WeakPolarHBondContact O-CD 3.41Å; P50-K85 WeakPolarHBondContact O-CE 3.43Å; P50-K85 VanDerWaalsContact O-CG 3.28Å; P50-K85 WeakPolarHBondContact O-CG 3.49Å; P50-I94 HydrophobicContact CG-CD1 4.26Å; P50-I94 HydrophobicContact CG-CG1 4.37Å; P50-I94 HydrophobicContact CG-CG2 4.26Å; P50-Y437 VanDerWaalsContact CA-CD1 3.41Å; P50-Y437 HydrophobicContact CB-CD1 4.43Å; P50-Y437 HydrophobicContact CB-CG 4.21Å; P50-Y437 HydrophobicContact CG-CG 4.19Å; P50-Q438 VanDerWaalsContact CD-O 3.27Å; P50-Q438 WeakPolarHBondContact CD-O 3.39Å; P50-I439 HydrophobicContact CG-CD1 4.17Å
51N95.4Very high92.8Very high82 Ų8270 Ų7044%0.43935%0.351SS..SBendtrans-58.8157.8168.3-71.7-35.4000110.7H80 F84 K85 Y437N51-H80 HydrophobicContact CB-CB 4.24Å; N51-F84 CarbonylContact O-C 3.59Å; N51-F84 WeakPolarHBondContact O-CA 3.46Å; N51-F84 VanDerWaalsContact O-CB 3.24Å; N51-F84 WeakPolarHBondContact O-CB 3.32Å; N51-K85 PolarHBondContact O-N 3.49Å; N51-Y437 PolarHBondContact ND2-OH 3.28Å
52G94.7Very high92.7Very high19 Ų1964.9 Ų64.920%0.19633%0.333CS..SBendtrans128.5173.1178.400000114.3K85G52-K85 CarbonylContact C-O 3.58Å; G52-K85 WeakPolarHBondContact CA-O 3.48Å; G52-K85 PolarHBondContact O-NZ 3.22Å
53S93.7Very high92.5Very high51 Ų5168.5 Ų68.536%0.35735%0.347SS..  trans-106.6129.6-170.5-178.30000111.6G55 E61 K85 T86S53-G55 PolarHBondContact O-N 3.44Å; S53-G55 PolarHBondContact OG-N 3.22Å; S53-G55 VanDerWaalsContact OG-N 3.11Å; S53-E61 VanDerWaalsContact O-OE2 3.09Å; S53-K85 PolarHBondContact N-O 3.33Å; S53-T86 VanDerWaalsContact O-CA 3.29Å; S53-T86 WeakPolarHBondContact O-CA 3.44Å
54M93.9Very high92.4Very high11 Ų1164.5 Ų64.55%0.05433%0.331CS..  trans-83.58.5170.3-55.7-60.8-93.900112.2W33 W37 G60 K85 H87 P92 W443W33-M54 PolarHBondContact NE1-O 3.16Å; W37-M54 HydrophobicContact CB-CE 4.47Å; W37-M54 HydrophobicContact CB-CG 4.31Å; W37-M54 VanDerWaalsContact CD1-CG 3.48Å; W37-M54 HydrophobicContact CD2-CE 3.42Å; W37-M54 VanDerWaalsContact CD2-CE 3.42Å; W37-M54 HydrophobicContact CD2-CG 4.32Å; W37-M54 HydrophobicContact CE3-CE 3.65Å; W37-M54 HydrophobicContact CG-CB 4.29Å; W37-M54 HydrophobicContact CG-CE 3.8Å; W37-M54 HydrophobicContact CG-CG 3.78Å; W37-M54 HydrophobicContact CH2-CE 4.28Å; W37-M54 HydrophobicContact CZ2-CE 4.09Å; W37-M54 HydrophobicContact CZ3-CE 4.08Å; M54-G60 WeakPolarHBondContact O-CA 3.42Å; M54-K85 HydrophobicContact CG-CD 4.49Å; M54-K85 HydrophobicContact SD-CB 4.12Å; M54-K85 HydrophobicContact SD-CD 3.92Å; M54-K85 HydrophobicContact SD-CG 3.91Å; M54-H87 HydrophobicContact CB-CB 4.35Å; M54-H87 WeakPolarHBondContact O-CB 3.46Å; M54-P92 HydrophobicContact CE-CB 3.68Å; M54-W443 HydrophobicContact CE-CH2 3.37Å; M54-W443 HydrophobicContact CE-CZ2 4.21Å; M54-W443 HydrophobicContact CE-CZ3 3.65Å; M54-W443 HydrophobicContact SD-CH2 4.42Å; M54-W443 HydrophobicContact SD-CZ3 4.42Å
55G92.9Very high92.2Very high19 Ų1957.8 Ų57.820%0.19630%0.298CS..  trans56.8-150.717900000114.1W33 S53W33-G55 VanDerWaalsContact CD1-O 3.28Å; W33-G55 PolarHBondContact NE1-O 3.38Å; S53-G55 PolarHBondContact O-N 3.44Å; S53-G55 PolarHBondContact OG-N 3.22Å; S53-G55 VanDerWaalsContact OG-N 3.11Å
56W91.5Very high91.7Very high120 Ų12061.2 Ų61.246%0.45531%0.314SS..BIsolated β-bridgetrans-78.9155.1178.8-70.6101.7000111.9L58 V59 G60W56-L58 PolarHBondContact O-N 3.34Å; W56-V59 HydrophobicContact CB-CG2 3.86Å; W56-G60 PolarHBondContact N-O 3.08Å; W56-G60 VanDerWaalsContact N-O 3.09Å; W56-G60 WeakPolarHBondContact O-CA 3.42Å; W56-G60 PolarHBondContact O-N 3.24Å
57P89.2Confident91.3Very high33 Ų3359.8 Ų59.821%0.21431%0.308CS..THydrogen-bonded Turntrans-50.2137.5173.6-2432.2000112.2S29 W33 V59S29-P57 WeakPolarHBondContact OG-CG 3.38Å; W33-P57 HydrophobicContact CB-CG 4.02Å; W33-P57 HydrophobicContact CD2-CB 4.15Å; W33-P57 HydrophobicContact CD2-CG 4.34Å; W33-P57 HydrophobicContact CE3-CB 4.06Å; W33-P57 HydrophobicContact CG-CB 4.42Å; W33-P57 HydrophobicContact CG-CG 4.1Å; P57-V59 PolarHBondContact O-N 3.43Å
58L82.3Confident90.8Very high140 Ų14059.9 Ų59.973%0.73331%0.309SS*.THydrogen-bonded Turntrans66.9-49.8179.7-53171.5000115.7W56 H87W56-L58 PolarHBondContact O-N 3.34Å; L58-H87 PolarHBondContact O-CE1 3.02Å; L58-H87 VanDerWaalsContact O-CE1 3.28Å
59V87.9Confident90.1Very high61 Ų6158.2 Ų58.237%0.3731%0.305SS..THydrogen-bonded Turntrans-88.9-19.3-175.1-61.40000113.1W56 P57 E61 T62 F63W56-V59 HydrophobicContact CB-CG2 3.86Å; P57-V59 PolarHBondContact O-N 3.43Å; V59-E61 PolarHBondContact O-N 3.45Å; V59-T62 WeakPolarHBondContact O-CB 3.37Å; V59-T62 PolarHBondContact O-N 2.91Å; V59-T62 VanDerWaalsContact O-N 3.1Å; V59-T62 PolarHBondContact O-OG1 3.28Å; V59-F63 HydrophobicContact CB-CD2 4.41Å; V59-F63 HydrophobicContact CB-CE2 4.1Å; V59-F63 HydrophobicContact CG1-CE2 4.09Å; V59-F63 HydrophobicContact CG2-CD2 4.48Å; V59-F63 HydrophobicContact CG2-CE2 4.39Å
60G93.7Very high89.3Confident3 Ų358.7 Ų58.73%0.03131%0.31CS..BIsolated β-bridgetrans57.4-128.4-179.900000113M54 W56 H87M54-G60 WeakPolarHBondContact O-CA 3.42Å; W56-G60 PolarHBondContact N-O 3.08Å; W56-G60 VanDerWaalsContact N-O 3.09Å; W56-G60 WeakPolarHBondContact O-CA 3.42Å; W56-G60 PolarHBondContact O-N 3.24Å; G60-H87 CarbonylContact C-O 3.14Å; G60-H87 WeakPolarHBondContact CA-O 3.44Å
61E94.2Very high88.7Confident9 Ų963.5 Ų63.54%0.04234%0.336CS..THydrogen-bonded Turntrans-102.313.1174.6-65.2-167.293.300112.8S53 V59 F63 H64 W65 F72 R76 T86 H87 L88S53-E61 VanDerWaalsContact O-OE2 3.09Å; V59-E61 PolarHBondContact O-N 3.45Å; E61-F63 VanDerWaalsContact C-N 3.31Å; E61-F63 PolarHBondContact O-N 3.04Å; E61-H64 WeakPolarHBondContact O-CB 3.37Å; E61-H64 PolarHBondContact O-N 3.1Å; E61-W65 PolarHBondContact O-N 3.43Å; E61-F72 HydrophobicContact CB-CE2 3.77Å; E61-F72 HydrophobicContact CB-CZ 3.75Å; E61-F72 HydrophobicContact CG-CE2 4.45Å; E61-F72 HydrophobicContact CG-CZ 4.45Å; E61-R76 IonicContact OE1-CZ 3.56Å; E61-R76 IonicContact OE1-NE 3.74Å; E61-R76 PolarHBondContact OE1-NE 3.4Å; E61-R76 IonicContact OE1-NH2 2.77Å; E61-R76 PolarHBondContact OE1-NH2 2.92Å; E61-T86 WeakPolarHBondContact OE2-CB 3.5Å; E61-T86 PolarHBondContact OE2-OG1 3.32Å; E61-H87 PolarHBondContact N-O 3.19Å; E61-L88 HydrophobicContact CB-CD2 4.27Å
62T90.4Very high88.5Confident14 Ų1459.6 Ų59.69%0.08632%0.315CS..Hα-helixtrans-54.1-42.6-172.2-54.10000113.2V59 W65 L66 L89V59-T62 WeakPolarHBondContact O-CB 3.37Å; V59-T62 PolarHBondContact O-N 2.91Å; V59-T62 VanDerWaalsContact O-N 3.1Å; V59-T62 PolarHBondContact O-OG1 3.28Å; T62-W65 PolarHBondContact O-N 2.98Å; T62-L66 HydrophobicContact CG2-CD1 4.13Å; T62-L66 HydrophobicContact CG2-CG 4.45Å; T62-L66 WeakPolarHBondContact O-CG 3.49Å; T62-L66 PolarHBondContact O-N 2.89Å; T62-L89 HydrophobicContact CG2-CD2 3.65Å; T62-L89 HydrophobicContact CG2-CG 4.3Å; T62-L89 PolarHBondContact OG1-N 3.37Å
63F88.8Confident88.2Confident118 Ų11859.1 Ų59.152%0.51831%0.308SS..Hα-helixtrans-68.1-40.8178.2-68.2-67.9000112.8V59 E61 W65 L66 F67V59-F63 HydrophobicContact CB-CD2 4.41Å; V59-F63 HydrophobicContact CB-CE2 4.1Å; V59-F63 HydrophobicContact CG1-CE2 4.09Å; V59-F63 HydrophobicContact CG2-CD2 4.48Å; V59-F63 HydrophobicContact CG2-CE2 4.39Å; E61-F63 VanDerWaalsContact C-N 3.31Å; E61-F63 PolarHBondContact O-N 3.04Å; F63-W65 VanDerWaalsContact C-N 3.26Å; F63-W65 PolarHBondContact O-N 2.83Å; F63-L66 PolarHBondContact O-N 3.11Å; F63-F67 HydrophobicContact CB-CD2 4.25Å; F63-F67 HydrophobicContact CB-CE2 4.1Å; F63-F67 HydrophobicContact CD1-CE2 4.19Å; F63-F67 WeakPolarHBondContact O-CD2 3.39Å; F63-F67 PolarHBondContact O-N 3.08Å
64H89.2Confident87.8Confident83 Ų8358.8 Ų58.838%0.38430%0.302SS..Hα-helixtrans-59.4-42.6173.9-64.9104.5000110.7E61 Q68 F72E61-H64 WeakPolarHBondContact O-CB 3.37Å; E61-H64 PolarHBondContact O-N 3.1Å; H64-Q68 WeakPolarHBondContact O-CB 3.3Å; H64-Q68 VanDerWaalsContact O-CG 3.3Å; H64-Q68 WeakPolarHBondContact O-CG 3.45Å; H64-Q68 PolarHBondContact O-N 2.82Å; H64-F72 HydrophobicContact CB-CD2 3.91Å; H64-F72 HydrophobicContact CB-CE2 3.91Å
65W88.5Confident87.7Confident42 Ų4260.5 Ų60.516%0.15931%0.314CS..Hα-helixtrans-63.3-45.6176.4173.271.6000112.5E61 T62 F63 F67 G69 F72 H73 L88 L89E61-W65 PolarHBondContact O-N 3.43Å; T62-W65 PolarHBondContact O-N 2.98Å; F63-W65 VanDerWaalsContact C-N 3.26Å; F63-W65 PolarHBondContact O-N 2.83Å; W65-F67 PolarHBondContact O-N 3.24Å; W65-G69 PolarHBondContact O-N 3.44Å; W65-F72 HydrophobicContact CB-CD1 4.01Å; W65-F72 HydrophobicContact CB-CD2 4.14Å; W65-F72 HydrophobicContact CB-CE1 4.17Å; W65-F72 HydrophobicContact CB-CE2 4.29Å; W65-F72 HydrophobicContact CB-CG 4Å; W65-F72 HydrophobicContact CB-CZ 4.31Å; W65-F72 AromaticContact CD1-CD1 3.63Å; W65-F72 HydrophobicContact CG-CD1 4.22Å; W65-H73 AromaticContact CD1-CE1 3.61Å; W65-H73 AromaticContact CD1-NE2 3.45Å; W65-H73 AromaticContact NE1-CE1 3.64Å; W65-H73 AromaticContact NE1-NE2 3.15Å; W65-H73 PolarHBondContact NE1-NE2 3.1Å; W65-H73 VanDerWaalsContact NE1-NE2 3.15Å; W65-L88 HydrophobicContact CB-CD2 3.65Å; W65-L88 HydrophobicContact CG-CD1 4.29Å; W65-L88 HydrophobicContact CG-CD2 4.01Å; W65-L89 HydrophobicContact CZ3-CD1 4.41Å; W65-L89 HydrophobicContact CZ3-CD2 4.4Å
66L83.1Confident87.8Confident101 Ų10161.1 Ų61.153%0.52931%0.311SS..Hα-helixtrans-62.3-42.3178.1-74.6171.6000112.7T62 F63T62-L66 HydrophobicContact CG2-CD1 4.13Å; T62-L66 HydrophobicContact CG2-CG 4.45Å; T62-L66 WeakPolarHBondContact O-CG 3.49Å; T62-L66 PolarHBondContact O-N 2.89Å; F63-L66 PolarHBondContact O-N 3.11Å
67F85.2Confident87.8Confident175 Ų17556.5 Ų56.577%0.76829%0.293SS*.Hα-helixtrans-82.3-34.3-177.3-66.2-57.3000113.7F63 W65F63-F67 HydrophobicContact CB-CD2 4.25Å; F63-F67 HydrophobicContact CB-CE2 4.1Å; F63-F67 HydrophobicContact CD1-CE2 4.19Å; F63-F67 WeakPolarHBondContact O-CD2 3.39Å; F63-F67 PolarHBondContact O-N 3.08Å; W65-F67 PolarHBondContact O-N 3.24Å
68Q84.8Confident87.9Confident81 Ų8162.3 Ų62.338%0.37932%0.318SS..Hα-helixtrans-89.9-16.8-177.6-62.8178.9-12.400113.2H64 S70 N71 F72H64-Q68 WeakPolarHBondContact O-CB 3.3Å; H64-Q68 VanDerWaalsContact O-CG 3.3Å; H64-Q68 WeakPolarHBondContact O-CG 3.45Å; H64-Q68 PolarHBondContact O-N 2.82Å; Q68-S70 PolarHBondContact O-N 3.17Å; Q68-N71 WeakPolarHBondContact O-CB 3.21Å; Q68-N71 PolarHBondContact O-N 3.08Å; Q68-F72 HydrophobicContact CB-CB 4.01Å
69G81.6Confident88.5Confident34 Ų3463.5 Ų63.535%0.35132%0.317SS..THydrogen-bonded Turntrans57.4-129.9-18000000112.5W65 N71 F72W65-G69 PolarHBondContact O-N 3.44Å; G69-N71 VanDerWaalsContact C-N 3.26Å; G69-N71 PolarHBondContact O-N 3.43Å; G69-F72 VanDerWaalsContact O-CB 3.26Å; G69-F72 WeakPolarHBondContact O-CB 3.16Å; G69-F72 PolarHBondContact O-N 3.41Å
70S77Confident88.8Confident36 Ų3662.5 Ų62.525%0.25231%0.308SS..Hα-helixtrans-60.9-32.1179.351.10000113.7Q68 F72 H73 I74Q68-S70 PolarHBondContact O-N 3.17Å; S70-F72 PolarHBondContact O-N 3.26Å; S70-H73 PolarHBondContact O-N 3.31Å; S70-H73 VanDerWaalsContact O-N 3.07Å; S70-I74 PolarHBondContact O-N 2.93Å
71N85.3Confident88.8Confident102 Ų10264 Ų6455%0.54532%0.324SS..Hα-helixtrans-63-27.7-179.5-67.1-11.6000112.1Q68 G69 H73 I74 S75Q68-N71 WeakPolarHBondContact O-CB 3.21Å; Q68-N71 PolarHBondContact O-N 3.08Å; G69-N71 VanDerWaalsContact C-N 3.26Å; G69-N71 PolarHBondContact O-N 3.43Å; N71-H73 VanDerWaalsContact C-N 3.32Å; N71-H73 PolarHBondContact O-N 3.48Å; N71-I74 PolarHBondContact O-N 2.95Å; N71-S75 WeakPolarHBondContact O-CB 3.01Å; N71-S75 PolarHBondContact O-N 3.2Å
72F89.9Confident88.7Confident0 Ų066.5 Ų66.50%034%0.338CS..Hα-helixtrans-55.2-49.6173177.3-97.5000111E61 H64 W65 Q68 G69 S70 R76 L88E61-F72 HydrophobicContact CB-CE2 3.77Å; E61-F72 HydrophobicContact CB-CZ 3.75Å; E61-F72 HydrophobicContact CG-CE2 4.45Å; E61-F72 HydrophobicContact CG-CZ 4.45Å; H64-F72 HydrophobicContact CB-CD2 3.91Å; H64-F72 HydrophobicContact CB-CE2 3.91Å; W65-F72 HydrophobicContact CB-CD1 4.01Å; W65-F72 HydrophobicContact CB-CD2 4.14Å; W65-F72 HydrophobicContact CB-CE1 4.17Å; W65-F72 HydrophobicContact CB-CE2 4.29Å; W65-F72 HydrophobicContact CB-CG 4Å; W65-F72 HydrophobicContact CB-CZ 4.31Å; W65-F72 AromaticContact CD1-CD1 3.63Å; W65-F72 HydrophobicContact CG-CD1 4.22Å; Q68-F72 HydrophobicContact CB-CB 4.01Å; G69-F72 VanDerWaalsContact O-CB 3.26Å; G69-F72 WeakPolarHBondContact O-CB 3.16Å; G69-F72 PolarHBondContact O-N 3.41Å; S70-F72 PolarHBondContact O-N 3.26Å; F72-R76 VanDerWaalsContact CD2-CZ 3.48Å; F72-R76 VanDerWaalsContact CE2-CZ 3.42Å; F72-R76 WeakPolarHBondContact O-CD 3.31Å; F72-R76 PolarHBondContact O-N 3.01Å; F72-L88 HydrophobicContact CE1-CD1 4.43Å; F72-L88 HydrophobicContact CE1-CD2 4.31Å; F72-L88 HydrophobicContact CZ-CD2 4.21Å
73H88.3Confident89Confident8 Ų866 Ų664%0.03733%0.334CS..Hα-helixtrans-71.8-38.5-175.9-63.1-55000112.2W65 S70 N71 R77 R95W65-H73 AromaticContact CD1-CE1 3.61Å; W65-H73 AromaticContact CD1-NE2 3.45Å; W65-H73 AromaticContact NE1-CE1 3.64Å; W65-H73 AromaticContact NE1-NE2 3.15Å; W65-H73 PolarHBondContact NE1-NE2 3.1Å; W65-H73 VanDerWaalsContact NE1-NE2 3.15Å; S70-H73 PolarHBondContact O-N 3.31Å; S70-H73 VanDerWaalsContact O-N 3.07Å; N71-H73 VanDerWaalsContact C-N 3.32Å; N71-H73 PolarHBondContact O-N 3.48Å; H73-R77 WeakPolarHBondContact O-CB 3.35Å; H73-R77 PolarHBondContact O-N 2.93Å; H73-R95 PolarHBondContact ND1-NE 3.35Å
74I87.1Confident89.4Confident45 Ų4560.4 Ų60.423%0.23131%0.31CS..Hα-helixtrans-61.3-53.4177.8-63.2169.6000109.9S70 N71 R76 R77 E78S70-I74 PolarHBondContact O-N 2.93Å; N71-I74 PolarHBondContact O-N 2.95Å; I74-R76 VanDerWaalsContact C-N 3.29Å; I74-R76 PolarHBondContact O-N 3.4Å; I74-R77 WeakPolarHBondContact O-CB 3.36Å; I74-R77 PolarHBondContact O-N 2.93Å; I74-R77 VanDerWaalsContact O-N 3.11Å; I74-E78 WeakPolarHBondContact CG2-OE1 3.34Å; I74-E78 WeakPolarHBondContact O-CG 3.44Å; I74-E78 PolarHBondContact O-N 2.94Å
75S91.7Very high89.8Confident46 Ų4658.2 Ų58.232%0.32230%0.299SS..Hα-helixtrans-64.4-33-175.590.30000112.9N71 K79N71-S75 WeakPolarHBondContact O-CB 3.01Å; N71-S75 PolarHBondContact O-N 3.2Å; S75-K79 WeakPolarHBondContact O-CB 2.93Å; S75-K79 PolarHBondContact O-N 2.76Å
76R94Very high90.1Very high33 Ų3356.2 Ų56.213%0.12529%0.291CS..Hα-helixtrans-75-36.4176.4-86.877.9-176163.6-11.2111.7E61 F72 I74 K79 H80 F84E61-R76 IonicContact OE1-CZ 3.56Å; E61-R76 IonicContact OE1-NE 3.74Å; E61-R76 PolarHBondContact OE1-NE 3.4Å; E61-R76 IonicContact OE1-NH2 2.77Å; E61-R76 PolarHBondContact OE1-NH2 2.92Å; F72-R76 VanDerWaalsContact CD2-CZ 3.48Å; F72-R76 VanDerWaalsContact CE2-CZ 3.42Å; F72-R76 WeakPolarHBondContact O-CD 3.31Å; F72-R76 PolarHBondContact O-N 3.01Å; I74-R76 VanDerWaalsContact C-N 3.29Å; I74-R76 PolarHBondContact O-N 3.4Å; R76-K79 PolarHBondContact O-N 2.95Å; R76-H80 VanDerWaalsContact O-CB 3.24Å; R76-H80 WeakPolarHBondContact O-CB 3.43Å; R76-H80 PolarHBondContact O-CD2 3.49Å; R76-H80 PolarHBondContact O-N 3.49Å; R76-F84 HydrophobicContact CB-CD2 4.04Å; R76-F84 HydrophobicContact CB-CE1 4.06Å; R76-F84 HydrophobicContact CB-CE2 3.5Å; R76-F84 HydrophobicContact CB-CZ 3.5Å; R76-F84 HydrophobicContact CG-CE2 4.08Å; R76-F84 HydrophobicContact CG-CZ 4.49Å
77R91.8Very high90.7Very high23 Ų2351.7 Ų51.79%0.08727%0.268CS..Hα-helixtrans-64-47.1174.7-173.7-150.7-35.8-60.5-19.3111.2H73 I74 K79 H80 G81 F84 T97 D451H73-R77 WeakPolarHBondContact O-CB 3.35Å; H73-R77 PolarHBondContact O-N 2.93Å; I74-R77 WeakPolarHBondContact O-CB 3.36Å; I74-R77 PolarHBondContact O-N 2.93Å; I74-R77 VanDerWaalsContact O-N 3.11Å; R77-K79 PolarHBondContact O-N 2.72Å; R77-H80 PolarHBondContact O-N 2.81Å; R77-G81 WeakPolarHBondContact CA-O 3.46Å; R77-G81 WeakPolarHBondContact CG-O 3.46Å; R77-G81 VanDerWaalsContact O-CA 3.28Å; R77-G81 WeakPolarHBondContact O-CA 3.37Å; R77-G81 PolarHBondContact O-N 2.76Å; R77-F84 HydrophobicContact CB-CE1 4.33Å; R77-T97 PolarHBondContact NH1-OG1 3.49Å; R77-D451 VanDerWaalsContact CZ-CG 3.42Å; R77-D451 IonicContact CZ-OD2 3.73Å; R77-D451 IonicContact NH1-OD2 2.73Å; R77-D451 PolarHBondContact NH1-OD2 3.31Å; R77-D451 VanDerWaalsContact NH2-CB 3.31Å; R77-D451 IonicContact NH2-OD1 3.53Å; R77-D451 PolarHBondContact NH2-OD1 2.95Å; R77-D451 IonicContact NH2-OD2 3.56Å; R77-D451 PolarHBondContact NH2-OD2 3.18Å
78E91.6Very high91Very high155 Ų15543.5 Ų43.572%0.72423%0.232SC*.Hα-helixtrans-56.7-37.6176.6-71.5170.9174.100111.5I74I74-E78 WeakPolarHBondContact CG2-OE1 3.34Å; I74-E78 WeakPolarHBondContact O-CG 3.44Å; I74-E78 PolarHBondContact O-N 2.94Å
79K94.4Very high91.1Very high164 Ų16445.2 Ų45.271%0.71324%0.243SC*.Hα-helixtrans-80.8-34.8-179.8-171.3174.9179.8173.20114.7S75 R76 R77S75-K79 WeakPolarHBondContact O-CB 2.93Å; S75-K79 PolarHBondContact O-N 2.76Å; R76-K79 PolarHBondContact O-N 2.95Å; R77-K79 PolarHBondContact O-N 2.72Å
80H94.4Very high91.3Very high40 Ų4045.9 Ų45.919%0.18525%0.25CC..Hα-helixtrans-120.4-7.4-166.1-60-53.7000114.3N51 R76 R77 F84N51-H80 HydrophobicContact CB-CB 4.24Å; R76-H80 VanDerWaalsContact O-CB 3.24Å; R76-H80 WeakPolarHBondContact O-CB 3.43Å; R76-H80 PolarHBondContact O-CD2 3.49Å; R76-H80 PolarHBondContact O-N 3.49Å; R77-H80 PolarHBondContact O-N 2.81Å; H80-F84 HydrophobicContact CB-CB 3.56Å; H80-F84 HydrophobicContact CB-CG 4.24Å
81G92.7Very high91.9Very high36 Ų3649.3 Ų49.337%0.37126%0.26SS..  trans87.9-165.7-177.300000114R77 V83R77-G81 WeakPolarHBondContact CA-O 3.46Å; R77-G81 WeakPolarHBondContact CG-O 3.46Å; R77-G81 VanDerWaalsContact O-CA 3.28Å; R77-G81 WeakPolarHBondContact O-CA 3.37Å; R77-G81 PolarHBondContact O-N 2.76Å; G81-V83 VanDerWaalsContact C-N 3.3Å; G81-V83 PolarHBondContact O-N 2.91Å
82N93.6Very high92.4Very high61 Ų6145.6 Ų45.633%0.32624%0.242SC..SBendtrans-72.1-19.8-174.5-77.2-35.8000114.6V96 T97N82-V96 CarbonylContact O-C 3.53Å; N82-V96 WeakPolarHBondContact O-CA 3.47Å; N82-T97 PolarHBondContact O-N 3.21Å; N82-T97 PolarHBondContact O-OG1 3.18Å; N82-T97 PolarHBondContact OD1-OG1 2.63Å
83V96.6Very high92.6Very high2 Ų245.8 Ų45.81%0.01224%0.243CC..EExtended strand (participates in β ladder)trans-127.9111-179.3-176.20000108.1P50 G81 I94 R95 V96 L434 D435 Y437 I439P50-V83 HydrophobicContact CB-CG1 4.09Å; P50-V83 HydrophobicContact CG-CG1 3.87Å; G81-V83 VanDerWaalsContact C-N 3.3Å; G81-V83 PolarHBondContact O-N 2.91Å; V83-I94 HydrophobicContact CG1-CG2 3.99Å; V83-R95 WeakPolarHBondContact CA-O 3.49Å; V83-V96 HydrophobicContact CG1-CG2 4.48Å; V83-V96 HydrophobicContact CG2-CG1 4.47Å; V83-L434 HydrophobicContact CG1-CB 4.43Å; V83-L434 HydrophobicContact CG2-CB 4.15Å; V83-D435 HydrophobicContact CG2-CB 4.06Å; V83-Y437 HydrophobicContact CB-CD2 4.28Å; V83-Y437 HydrophobicContact CG1-CD2 4.33Å; V83-I439 HydrophobicContact CG1-CD1 4Å
84F96.8Very high93.1Very high2 Ų245.4 Ų45.41%0.00924%0.241CC..EExtended strand (participates in β ladder)trans-142.6148.9179.971.2-95.1000112.9N51 R76 R77 H80 I94 R95N51-F84 CarbonylContact O-C 3.59Å; N51-F84 WeakPolarHBondContact O-CA 3.46Å; N51-F84 VanDerWaalsContact O-CB 3.24Å; N51-F84 WeakPolarHBondContact O-CB 3.32Å; R76-F84 HydrophobicContact CB-CD2 4.04Å; R76-F84 HydrophobicContact CB-CE1 4.06Å; R76-F84 HydrophobicContact CB-CE2 3.5Å; R76-F84 HydrophobicContact CB-CZ 3.5Å; R76-F84 HydrophobicContact CG-CE2 4.08Å; R76-F84 HydrophobicContact CG-CZ 4.49Å; R77-F84 HydrophobicContact CB-CE1 4.33Å; H80-F84 HydrophobicContact CB-CB 3.56Å; H80-F84 HydrophobicContact CB-CG 4.24Å; F84-I94 CarbonylContact O-C 3.45Å; F84-I94 WeakPolarHBondContact O-CA 3.36Å; F84-R95 HydrophobicContact CD1-CB 3.9Å; F84-R95 HydrophobicContact CD2-CB 4.11Å; F84-R95 HydrophobicContact CD2-CG 4.46Å; F84-R95 HydrophobicContact CE1-CB 3.48Å; F84-R95 VanDerWaalsContact CE1-CB 3.48Å; F84-R95 HydrophobicContact CE1-CG 4.16Å; F84-R95 HydrophobicContact CE2-CB 3.7Å; F84-R95 HydrophobicContact CE2-CG 3.69Å; F84-R95 HydrophobicContact CG-CB 4.2Å; F84-R95 HydrophobicContact CZ-CB 3.38Å; F84-R95 HydrophobicContact CZ-CG 3.53Å; F84-R95 PolarHBondContact N-O 3.37Å; F84-R95 PolarHBondContact O-N 3.14Å
85K96.5Very high93.5Very high36 Ų3643.4 Ų43.416%0.15723%0.23CC..EExtended strand (participates in β ladder)trans-92.7143.817770-175.5169.3660111.8L49 P50 N51 G52 S53 M54 V93 I94 W443L49-K85 HydrophobicContact CB-CD 4.26Å; P50-K85 HydrophobicContact CB-CB 4.36Å; P50-K85 WeakPolarHBondContact O-CD 3.41Å; P50-K85 WeakPolarHBondContact O-CE 3.43Å; P50-K85 VanDerWaalsContact O-CG 3.28Å; P50-K85 WeakPolarHBondContact O-CG 3.49Å; N51-K85 PolarHBondContact O-N 3.49Å; G52-K85 CarbonylContact C-O 3.58Å; G52-K85 WeakPolarHBondContact CA-O 3.48Å; G52-K85 PolarHBondContact O-NZ 3.22Å; S53-K85 PolarHBondContact N-O 3.33Å; M54-K85 HydrophobicContact CG-CD 4.49Å; M54-K85 HydrophobicContact SD-CB 4.12Å; M54-K85 HydrophobicContact SD-CD 3.92Å; M54-K85 HydrophobicContact SD-CG 3.91Å; K85-V93 CarbonylContact C-O 3.54Å; K85-I94 HydrophobicContact CB-CG1 4.46Å; K85-W443 HydrophobicContact CB-CZ3 4.31Å
86T95.9Very high93.7Very high0 Ų041.2 Ų41.20%022%0.215CC..EExtended strand (participates in β ladder)trans-146.1177.2170.3-171.20000110.4S53 E61 L88 V93 R95S53-T86 VanDerWaalsContact O-CA 3.29Å; S53-T86 WeakPolarHBondContact O-CA 3.44Å; E61-T86 WeakPolarHBondContact OE2-CB 3.5Å; E61-T86 PolarHBondContact OE2-OG1 3.32Å; T86-L88 HydrophobicContact CG2-CD1 3.94Å; T86-L88 HydrophobicContact CG2-CG 3.88Å; T86-V93 HydrophobicContact CG2-CB 4.09Å; T86-V93 PolarHBondContact N-O 3.14Å; T86-V93 PolarHBondContact O-N 2.93Å; T86-V93 VanDerWaalsContact O-O 3.06Å; T86-R95 HydrophobicContact CG2-CG 4.42Å
87H94.8Very high93.8Very high6 Ų639.7 Ų39.73%0.02821%0.21CC..EExtended strand (participates in β ladder)trans-131.2110.8175.5-172.3-85.1000109.3W33 W37 M54 L58 G60 E61 K91W33-H87 AromaticContact CH2-NE2 3.82Å; W33-H87 AromaticContact CZ2-CD2 3.98Å; W33-H87 AromaticContact CZ2-NE2 3.95Å; W37-H87 AromaticContact CH2-CD2 3.88Å; W37-H87 AromaticContact CZ2-CD2 3.52Å; W37-H87 AromaticContact CZ2-NE2 3.77Å; M54-H87 HydrophobicContact CB-CB 4.35Å; M54-H87 WeakPolarHBondContact O-CB 3.46Å; L58-H87 PolarHBondContact O-CE1 3.02Å; L58-H87 VanDerWaalsContact O-CE1 3.28Å; G60-H87 CarbonylContact C-O 3.14Å; G60-H87 WeakPolarHBondContact CA-O 3.44Å; E61-H87 PolarHBondContact N-O 3.19Å; H87-K91 CarbonylContact C-O 3.43Å; H87-K91 VanDerWaalsContact CA-O 3.32Å; H87-K91 WeakPolarHBondContact CA-O 3.4Å; H87-K91 VanDerWaalsContact CD2-C 3.45Å; H87-K91 PolarHBondContact CD2-O 3.37Å
88L91.5Very high93.9Very high4 Ų439.2 Ų39.22%0.02121%0.212CC..EExtended strand (participates in β ladder)trans-127.6136.8-174.2-61.5177000109.6E61 W65 F72 T86 G90 K91 V93E61-L88 HydrophobicContact CB-CD2 4.27Å; W65-L88 HydrophobicContact CB-CD2 3.65Å; W65-L88 HydrophobicContact CG-CD1 4.29Å; W65-L88 HydrophobicContact CG-CD2 4.01Å; F72-L88 HydrophobicContact CE1-CD1 4.43Å; F72-L88 HydrophobicContact CE1-CD2 4.31Å; F72-L88 HydrophobicContact CZ-CD2 4.21Å; T86-L88 HydrophobicContact CG2-CD1 3.94Å; T86-L88 HydrophobicContact CG2-CG 3.88Å; L88-G90 PolarHBondContact O-N 3.06Å; L88-K91 PolarHBondContact N-O 3.06Å; L88-K91 PolarHBondContact O-N 2.79Å; L88-V93 HydrophobicContact CB-CG2 4.23Å
89L87Confident93.9Very high116 Ų11632.8 Ų32.861%0.60719%0.186SC*.THydrogen-bonded Turntrans52.141.9175.9-56.1171.8000112.8T62 W65 K91T62-L89 HydrophobicContact CG2-CD2 3.65Å; T62-L89 HydrophobicContact CG2-CG 4.3Å; T62-L89 PolarHBondContact OG1-N 3.37Å; W65-L89 HydrophobicContact CZ3-CD1 4.41Å; W65-L89 HydrophobicContact CZ3-CD2 4.4Å; L89-K91 VanDerWaalsContact C-N 3.29Å; L89-K91 PolarHBondContact O-N 2.84Å
90G86.9Confident93.9Very high48 Ų4830.4 Ų30.450%0.49518%0.177SC..THydrogen-bonded Turntrans77.17.8178.600000115.2L88L88-G90 PolarHBondContact O-N 3.06Å
91K89.5Confident93.9Very high109 Ų10929 Ų2947%0.47417%0.171SC..EExtended strand (participates in β ladder)trans-126.7145-177.1-66.4-173.1176.5-175.10112.6H87 L88 L89 V93H87-K91 CarbonylContact C-O 3.43Å; H87-K91 VanDerWaalsContact CA-O 3.32Å; H87-K91 WeakPolarHBondContact CA-O 3.4Å; H87-K91 VanDerWaalsContact CD2-C 3.45Å; H87-K91 PolarHBondContact CD2-O 3.37Å; L88-K91 PolarHBondContact N-O 3.06Å; L88-K91 PolarHBondContact O-N 2.79Å; L89-K91 VanDerWaalsContact C-N 3.29Å; L89-K91 PolarHBondContact O-N 2.84Å; K91-V93 PolarHBondContact O-N 2.98Å
92P94.7Very high94.1Very high23 Ų2327.3 Ų27.315%0.14915%0.153CC..EExtended strand (participates in β ladder)trans-71128.6167.932.9-35.3000109.7W37 M54 W443 S444W37-P92 HydrophobicContact CH2-CB 4.11Å; W37-P92 HydrophobicContact CH2-CG 4.2Å; W37-P92 HydrophobicContact CZ3-CB 3.97Å; W37-P92 HydrophobicContact CZ3-CG 4.04Å; M54-P92 HydrophobicContact CE-CB 3.68Å; P92-W443 HydrophobicContact CB-CD2 3.62Å; P92-W443 HydrophobicContact CB-CE3 3.57Å; P92-W443 HydrophobicContact CB-CG 4.23Å; P92-W443 HydrophobicContact CB-CH2 4.09Å; P92-W443 HydrophobicContact CB-CZ2 4.15Å; P92-W443 HydrophobicContact CB-CZ3 3.81Å; P92-W443 HydrophobicContact CG-CD2 3.84Å; P92-W443 HydrophobicContact CG-CE3 4.29Å; P92-W443 HydrophobicContact CG-CG 3.95Å; P92-S444 PolarHBondContact O-N 3.5Å; P92-S444 VanDerWaalsContact O-N 3.12Å
93V95.5Very high94.2Very high4 Ų429.4 Ų29.42%0.02416%0.156CC..EExtended strand (participates in β ladder)trans-127.8132.6-176.8-178.80000109.5K85 T86 L88 K91 S444 M446K85-V93 CarbonylContact C-O 3.54Å; T86-V93 HydrophobicContact CG2-CB 4.09Å; T86-V93 PolarHBondContact N-O 3.14Å; T86-V93 PolarHBondContact O-N 2.93Å; T86-V93 VanDerWaalsContact O-O 3.06Å; L88-V93 HydrophobicContact CB-CG2 4.23Å; K91-V93 PolarHBondContact O-N 2.98Å; V93-S444 CarbonylContact C-O 3.6Å; V93-S444 VanDerWaalsContact CA-O 3.28Å; V93-S444 WeakPolarHBondContact CA-O 3.09Å; V93-M446 HydrophobicContact CG1-CB 3.95Å
94I97.3Very high94.2Very high0 Ų033 Ų330%017%0.172CC..EExtended strand (participates in β ladder)trans-102.5117.9168.7-65.3165.8000108.1P50 V83 F84 K85 V96 I439 W443 S444 V445 M446P50-I94 HydrophobicContact CG-CD1 4.26Å; P50-I94 HydrophobicContact CG-CG1 4.37Å; P50-I94 HydrophobicContact CG-CG2 4.26Å; V83-I94 HydrophobicContact CG1-CG2 3.99Å; F84-I94 CarbonylContact O-C 3.45Å; F84-I94 WeakPolarHBondContact O-CA 3.36Å; K85-I94 HydrophobicContact CB-CG1 4.46Å; I94-V96 HydrophobicContact CG2-CG2 3.65Å; I94-I439 HydrophobicContact CD1-CB 4.3Å; I94-I439 HydrophobicContact CD1-CD1 3.83Å; I94-I439 HydrophobicContact CD1-CG2 3.83Å; I94-I439 HydrophobicContact CG2-CD1 3.74Å; I94-W443 HydrophobicContact CD1-CE3 3.87Å; I94-W443 HydrophobicContact CD1-CZ3 4.47Å; I94-W443 HydrophobicContact CG1-CE3 3.93Å; I94-W443 HydrophobicContact CG1-CZ3 4.36Å; I94-S444 PolarHBondContact N-O 3.24Å; I94-V445 HydrophobicContact CB-CG2 4.16Å; I94-V445 CarbonylContact O-C 3.56Å; I94-V445 VanDerWaalsContact O-CA 3.31Å; I94-V445 WeakPolarHBondContact O-CA 3.36Å; I94-M446 PolarHBondContact O-N 2.71Å
95R96.3Very high94.2Very high3 Ų332.9 Ų32.91%0.01117%0.172CC..EExtended strand (participates in β ladder)trans-83.6132172-73.8-70.5-71.6140.8-8.8108.8H73 V83 F84 T86 M446 S448 D451H73-R95 PolarHBondContact ND1-NE 3.35Å; V83-R95 WeakPolarHBondContact CA-O 3.49Å; F84-R95 HydrophobicContact CD1-CB 3.9Å; F84-R95 HydrophobicContact CD2-CB 4.11Å; F84-R95 HydrophobicContact CD2-CG 4.46Å; F84-R95 HydrophobicContact CE1-CB 3.48Å; F84-R95 VanDerWaalsContact CE1-CB 3.48Å; F84-R95 HydrophobicContact CE1-CG 4.16Å; F84-R95 HydrophobicContact CE2-CB 3.7Å; F84-R95 HydrophobicContact CE2-CG 3.69Å; F84-R95 HydrophobicContact CG-CB 4.2Å; F84-R95 HydrophobicContact CZ-CB 3.38Å; F84-R95 HydrophobicContact CZ-CG 3.53Å; F84-R95 PolarHBondContact N-O 3.37Å; F84-R95 PolarHBondContact O-N 3.14Å; T86-R95 HydrophobicContact CG2-CG 4.42Å; R95-M446 VanDerWaalsContact CD-SD 3.5Å; R95-M446 PolarHBondContact NH1-O 3.05Å; R95-M446 PolarHBondContact NH1-SD 3.47Å; R95-S448 PolarHBondContact NH2-OG 3.1Å; R95-D451 IonicContact NH2-OD2 2.63Å; R95-D451 PolarHBondContact NH2-OD2 2.95Å; R95-D451 VanDerWaalsContact NH2-OD2 3.11Å
96V96.9Very high94.2Very high0 Ų031.3 Ų31.30%017%0.165CC..EExtended strand (participates in β ladder)trans-134.7128-174-179.90000111N82 V83 I94 N101 I105 L434 V445 M446 Y447 S448N82-V96 CarbonylContact O-C 3.53Å; N82-V96 WeakPolarHBondContact O-CA 3.47Å; V83-V96 HydrophobicContact CG1-CG2 4.48Å; V83-V96 HydrophobicContact CG2-CG1 4.47Å; I94-V96 HydrophobicContact CG2-CG2 3.65Å; V96-N101 HydrophobicContact CG1-CB 3.45Å; V96-N101 VanDerWaalsContact CG1-CB 3.45Å; V96-I105 HydrophobicContact CB-CD1 3.71Å; V96-I105 HydrophobicContact CG1-CD1 3.49Å; V96-I105 VanDerWaalsContact CG1-CD1 3.49Å; V96-I105 HydrophobicContact CG2-CD1 3.93Å; V96-L434 HydrophobicContact CG1-CD1 3.89Å; V96-L434 HydrophobicContact CG2-CD1 3.83Å; V96-V445 HydrophobicContact CB-CG1 4.35Å; V96-V445 HydrophobicContact CG2-CG1 3.79Å; V96-M446 PolarHBondContact N-O 2.92Å; V96-M446 VanDerWaalsContact N-O 3.1Å; V96-Y447 CarbonylContact O-C 3.59Å; V96-Y447 VanDerWaalsContact O-CA 3.26Å; V96-Y447 WeakPolarHBondContact O-CA 3.36Å; V96-S448 PolarHBondContact O-N 3.43Å
97T95Very high94.2Very high1 Ų136 Ų361%0.00619%0.189CC..  trans-136.3169.4175.961.90000112.1R77 N82 N101 D451R77-T97 PolarHBondContact NH1-OG1 3.49Å; N82-T97 PolarHBondContact O-N 3.21Å; N82-T97 PolarHBondContact O-OG1 3.18Å; N82-T97 PolarHBondContact OD1-OG1 2.63Å; T97-N101 WeakPolarHBondContact O-CB 3.34Å; T97-N101 PolarHBondContact O-ND2 2.78Å; T97-D451 HydrophobicContact CG2-CB 3.85Å
98G93.3Very high94.3Very high13 Ų1336 Ų3613%0.13419%0.191CC..SBendtrans93.5142.4-176.200000112.2E100 N101 I102 T452G98-E100 PolarHBondContact O-N 3.5Å; G98-N101 PolarHBondContact O-N 2.81Å; G98-I102 WeakPolarHBondContact O-CG1 3.47Å; G98-I102 PolarHBondContact O-N 3.16Å; G98-T452 PolarHBondContact N-OG1 3Å
99A93.1Very high94.5Very high21 Ų2136.3 Ų36.317%0.17419%0.192CC..Hα-helixtrans-58.9-45.4-168.500000113.4R103 F482 N483A99-R103 WeakPolarHBondContact O-CB 3.37Å; A99-R103 PolarHBondContact O-N 3.39Å; A99-F482 HydrophobicContact CB-CB 4.08Å; A99-F482 WeakPolarHBondContact CB-O 3.26Å; A99-F482 WeakPolarHBondContact O-CB 3.41Å; A99-N483 WeakPolarHBondContact CB-OD1 3.38Å
100E93.4Very high94.8Very high114 Ų11433 Ų3353%0.53317%0.174SC..Hα-helixtrans-71.1-38.4-177.8-168.655.5-14400112.2G98 R103 K104G98-E100 PolarHBondContact O-N 3.5Å; E100-R103 WeakPolarHBondContact O-CB 3.41Å; E100-R103 PolarHBondContact O-N 3.11Å; E100-R103 IonicContact OE1-CZ 3.14Å; E100-R103 IonicContact OE1-NH1 2.7Å; E100-R103 PolarHBondContact OE1-NH1 3.42Å; E100-R103 VanDerWaalsContact OE1-NH1 3.14Å; E100-R103 WeakPolarHBondContact OE2-CD 3.49Å; E100-R103 IonicContact OE2-CZ 3.58Å; E100-R103 IonicContact OE2-NH1 3.29Å; E100-R103 PolarHBondContact OE2-NH1 2.94Å; E100-K104 PolarHBondContact O-N 3.44Å
101N95.4Very high95.1Very high10 Ų1035.7 Ų35.75%0.05318%0.177CC..Hα-helixtrans-64.3-47.6176.6-70.9-38.2000111.9V96 T97 G98 R103 K104 I105 L434 D435V96-N101 HydrophobicContact CG1-CB 3.45Å; V96-N101 VanDerWaalsContact CG1-CB 3.45Å; T97-N101 WeakPolarHBondContact O-CB 3.34Å; T97-N101 PolarHBondContact O-ND2 2.78Å; G98-N101 PolarHBondContact O-N 2.81Å; N101-R103 VanDerWaalsContact C-N 3.33Å; N101-K104 PolarHBondContact O-N 3.11Å; N101-I105 WeakPolarHBondContact O-CG1 3.48Å; N101-I105 PolarHBondContact O-N 3.15Å; N101-L434 HydrophobicContact CB-CD2 4.21Å; N101-D435 VanDerWaalsContact ND2-CG 3.33Å; N101-D435 PolarHBondContact ND2-OD1 2.75Å; N101-D435 PolarHBondContact ND2-OD2 2.73Å; N101-D435 PolarHBondContact OD1-OD1 2.79Å
102I95.6Very high95.5Very high0 Ų031.9 Ų31.90%016%0.161CC..Hα-helixtrans-66.6-37.9177.8-66.3-163.8000110.7G98 K104 I105 L106 Y447 S448 T452G98-I102 WeakPolarHBondContact O-CG1 3.47Å; G98-I102 PolarHBondContact O-N 3.16Å; I102-K104 VanDerWaalsContact C-N 3.35Å; I102-K104 PolarHBondContact O-N 3.32Å; I102-I105 PolarHBondContact O-N 3.16Å; I102-L106 HydrophobicContact CG2-CD1 3.34Å; I102-L106 HydrophobicContact CG2-CG 3.75Å; I102-L106 WeakPolarHBondContact O-CB 3.47Å; I102-L106 VanDerWaalsContact O-CG 3.29Å; I102-L106 WeakPolarHBondContact O-CG 3.36Å; I102-L106 PolarHBondContact O-N 3.23Å; I102-Y447 HydrophobicContact CD1-CD2 4.2Å; I102-Y447 HydrophobicContact CG2-CD2 4.17Å; I102-S448 WeakPolarHBondContact CD1-O 3.1Å; I102-T452 HydrophobicContact CD1-CG2 4.41Å; I102-T452 WeakPolarHBondContact CD1-OG1 3.43Å
103R95.6Very high95.6Very high105 Ų10530.8 Ų30.840%0.39615%0.154SC..Hα-helixtrans-53.2-51.3172.4173.7-179.9173.1-152.1-0.6111.3A99 E100 N101 I105 L106 L107 F482A99-R103 WeakPolarHBondContact O-CB 3.37Å; A99-R103 PolarHBondContact O-N 3.39Å; E100-R103 WeakPolarHBondContact O-CB 3.41Å; E100-R103 PolarHBondContact O-N 3.11Å; E100-R103 IonicContact OE1-CZ 3.14Å; E100-R103 IonicContact OE1-NH1 2.7Å; E100-R103 PolarHBondContact OE1-NH1 3.42Å; E100-R103 VanDerWaalsContact OE1-NH1 3.14Å; E100-R103 WeakPolarHBondContact OE2-CD 3.49Å; E100-R103 IonicContact OE2-CZ 3.58Å; E100-R103 IonicContact OE2-NH1 3.29Å; E100-R103 PolarHBondContact OE2-NH1 2.94Å; N101-R103 VanDerWaalsContact C-N 3.33Å; R103-I105 VanDerWaalsContact C-N 3.32Å; R103-I105 PolarHBondContact O-N 2.65Å; R103-L106 PolarHBondContact O-N 3.06Å; R103-L107 HydrophobicContact CG-CD1 3.62Å; R103-L107 HydrophobicContact CG-CG 4.2Å; R103-L107 VanDerWaalsContact O-CB 3.27Å; R103-L107 WeakPolarHBondContact O-CB 3.26Å; R103-L107 VanDerWaalsContact O-CG 3.28Å; R103-L107 WeakPolarHBondContact O-CG 3.43Å; R103-L107 PolarHBondContact O-N 3.32Å; R103-F482 HydrophobicContact CB-CB 4.05Å; R103-F482 HydrophobicContact CB-CD1 3.77Å; R103-F482 HydrophobicContact CB-CD2 3.69Å; R103-F482 HydrophobicContact CB-CE1 4.11Å; R103-F482 HydrophobicContact CB-CE2 4.03Å; R103-F482 HydrophobicContact CB-CG 3.55Å; R103-F482 HydrophobicContact CB-CZ 4.23Å; R103-F482 HydrophobicContact CG-CD1 4.36Å; R103-F482 HydrophobicContact CG-CD2 3.58Å; R103-F482 HydrophobicContact CG-CE1 4.33Å; R103-F482 HydrophobicContact CG-CE2 3.55Å; R103-F482 HydrophobicContact CG-CG 4.01Å; R103-F482 HydrophobicContact CG-CZ 3.94Å
104K96.9Very high95.6Very high78 Ų7831.7 Ų31.734%0.33916%0.16SC..Hα-helixtrans-60-41.2179.9-170.1171.3-174.1175.10112.1E100 N101 I102 G108 L112 F432 E433 L434E100-K104 PolarHBondContact O-N 3.44Å; N101-K104 PolarHBondContact O-N 3.11Å; I102-K104 VanDerWaalsContact C-N 3.35Å; I102-K104 PolarHBondContact O-N 3.32Å; K104-G108 WeakPolarHBondContact O-CA 3.27Å; K104-G108 PolarHBondContact O-N 2.86Å; K104-L112 HydrophobicContact CG-CD1 4.01Å; K104-F432 HydrophobicContact CD-CD2 4.27Å; K104-E433 WeakPolarHBondContact CE-O 3.4Å; K104-E433 PolarHBondContact NZ-O 3.5Å; K104-L434 HydrophobicContact CB-CD2 4.06Å; K104-L434 HydrophobicContact CD-CD2 3.75Å; K104-L434 HydrophobicContact CG-CD2 4.3Å
105I97.3Very high95.4Very high0 Ų032.7 Ų32.70%017%0.167CC..Hα-helixtrans-65.6-51.6176.8-67.5164.5000111.3V96 N101 I102 R103 G108 V113 R426 F432 L434 V445 Y447V96-I105 HydrophobicContact CB-CD1 3.71Å; V96-I105 HydrophobicContact CG1-CD1 3.49Å; V96-I105 VanDerWaalsContact CG1-CD1 3.49Å; V96-I105 HydrophobicContact CG2-CD1 3.93Å; N101-I105 WeakPolarHBondContact O-CG1 3.48Å; N101-I105 PolarHBondContact O-N 3.15Å; I102-I105 PolarHBondContact O-N 3.16Å; R103-I105 VanDerWaalsContact C-N 3.32Å; R103-I105 PolarHBondContact O-N 2.65Å; I105-G108 PolarHBondContact O-N 2.75Å; I105-G108 VanDerWaalsContact O-N 3.17Å; I105-V113 HydrophobicContact CG2-CG2 4.15Å; I105-V113 VanDerWaalsContact O-CG2 3.26Å; I105-V113 WeakPolarHBondContact O-CG2 3.37Å; I105-R426 HydrophobicContact CG2-CG 4.03Å; I105-F432 HydrophobicContact CG1-CE2 4.45Å; I105-F432 HydrophobicContact CG1-CZ 4.25Å; I105-L434 HydrophobicContact CD1-CD1 3.97Å; I105-L434 HydrophobicContact CG1-CD1 4.21Å; I105-V445 HydrophobicContact CD1-CG1 3.52Å; I105-V445 HydrophobicContact CG1-CG1 4.3Å; I105-Y447 HydrophobicContact CG2-CD1 4.12Å
106L96.6Very high95.1Very high3 Ų334.2 Ų34.22%0.01617%0.174CC..Hα-helixtrans-69.3-36.8-173.8-68.3179.7000112.4I102 R103 G108 Y447 F482I102-L106 HydrophobicContact CG2-CD1 3.34Å; I102-L106 HydrophobicContact CG2-CG 3.75Å; I102-L106 WeakPolarHBondContact O-CB 3.47Å; I102-L106 VanDerWaalsContact O-CG 3.29Å; I102-L106 WeakPolarHBondContact O-CG 3.36Å; I102-L106 PolarHBondContact O-N 3.23Å; R103-L106 PolarHBondContact O-N 3.06Å; L106-G108 VanDerWaalsContact C-N 3.31Å; L106-Y447 HydrophobicContact CD2-CD1 4.3Å; L106-Y447 HydrophobicContact CD2-CD2 4.45Å; L106-Y447 HydrophobicContact CD2-CE1 3.78Å; L106-Y447 HydrophobicContact CD2-CE2 3.96Å; L106-F482 HydrophobicContact CB-CE1 4.13Å; L106-F482 HydrophobicContact CD1-CD1 4.26Å; L106-F482 HydrophobicContact CD1-CE1 3.99Å
107L96.5Very high94.7Very high97 Ų9738 Ų3851%0.50819%0.189SC..Hα-helixtrans-76.5-20.6173.2-63.1-176.2000112.6R103 E109 F482R103-L107 HydrophobicContact CG-CD1 3.62Å; R103-L107 HydrophobicContact CG-CG 4.2Å; R103-L107 VanDerWaalsContact O-CB 3.27Å; R103-L107 WeakPolarHBondContact O-CB 3.26Å; R103-L107 VanDerWaalsContact O-CG 3.28Å; R103-L107 WeakPolarHBondContact O-CG 3.43Å; R103-L107 PolarHBondContact O-N 3.32Å; L107-E109 VanDerWaalsContact C-N 3.32Å; L107-E109 PolarHBondContact O-N 3Å; L107-F482 HydrophobicContact CD1-CE2 4.26Å; L107-F482 HydrophobicContact CD1-CZ 4.18Å; L107-F482 HydrophobicContact CD2-CZ 3.88Å; L107-F482 HydrophobicContact CG-CE2 4.44Å; L107-F482 HydrophobicContact CG-CZ 3.86Å
108G96.1Very high94.4Very high7 Ų740.4 Ų40.47%0.07220%0.204CC..THydrogen-bonded Turntrans-83.24.7178.200000115.3K104 I105 L106 H110 N111 L112 V113K104-G108 WeakPolarHBondContact O-CA 3.27Å; K104-G108 PolarHBondContact O-N 2.86Å; I105-G108 PolarHBondContact O-N 2.75Å; I105-G108 VanDerWaalsContact O-N 3.17Å; L106-G108 VanDerWaalsContact C-N 3.31Å; G108-H110 PolarHBondContact O-N 2.9Å; G108-N111 CarbonylContact O-C 3.48Å; G108-N111 PolarHBondContact O-N 3.3Å; G108-N111 VanDerWaalsContact O-N 3.09Å; G108-L112 PolarHBondContact O-N 3.29Å; G108-V113 PolarHBondContact O-N 2.84Å; G108-V113 VanDerWaalsContact O-N 3.11Å
109E95.8Very high94.4Very high10 Ų1045.4 Ų45.45%0.04722%0.224CC..BIsolated β-bridgetrans-58.9137.5178.8-176.582.5-172.300111.7L107 N111 V113 T115 R426 I491 R492L107-E109 VanDerWaalsContact C-N 3.32Å; L107-E109 PolarHBondContact O-N 3Å; E109-N111 PolarHBondContact O-N 2.74Å; E109-V113 CarbonylContact C-O 3.54Å; E109-V113 WeakPolarHBondContact CA-O 3.49Å; E109-T115 WeakPolarHBondContact OE1-CB 3.42Å; E109-T115 PolarHBondContact OE1-N 2.84Å; E109-T115 PolarHBondContact OE1-OG1 2.82Å; E109-T115 PolarHBondContact OE2-OG1 3.3Å; E109-R426 VanDerWaalsContact OE2-CD 3.3Å; E109-R426 WeakPolarHBondContact OE2-CD 3.29Å; E109-R426 IonicContact OE2-CZ 3.61Å; E109-R426 IonicContact OE2-NE 3.27Å; E109-R426 PolarHBondContact OE2-NE 3.28Å; E109-R426 IonicContact OE2-NH2 2.7Å; E109-I491 HydrophobicContact CB-CD1 3.85Å; E109-I491 HydrophobicContact CB-CG1 3.75Å; E109-I491 HydrophobicContact CG-CD1 3.69Å; E109-I491 HydrophobicContact CG-CG1 3.81Å; E109-R492 HydrophobicContact CB-CG 4.48Å; E109-R492 HydrophobicContact CG-CG 3.66Å; E109-R492 IonicContact OE1-CZ 2.78Å; E109-R492 IonicContact OE1-NE 3.11Å; E109-R492 PolarHBondContact OE1-NE 3.27Å; E109-R492 IonicContact OE1-NH2 3.05Å; E109-R492 PolarHBondContact OE1-NH2 3.3Å
110H92.9Very high94.4Very high47 Ų4744.6 Ų44.622%0.21822%0.217CC..THydrogen-bonded Turntrans69.6-0.4-172.7-53.9-32.7000115.4G108 V113 G135 H138 I491G108-H110 PolarHBondContact O-N 2.9Å; H110-V113 PolarHBondContact N-O 2.73Å; H110-G135 PolarHBondContact CE1-N 3.15Å; H110-G135 PolarHBondContact ND1-N 2.88Å; H110-G135 PolarHBondContact NE2-N 2.76Å; H110-H138 AromaticContact NE2-CG 3.72Å; H110-H138 AromaticContact NE2-ND1 3.35Å; H110-H138 PolarHBondContact NE2-ND1 3.31Å; H110-I491 WeakPolarHBondContact CD2-CD1 3.3Å; H110-I491 VanDerWaalsContact NE2-CD1 3.34Å; H110-I491 WeakPolarHBondContact NE2-CD1 3.4Å
111N94.5Very high94.4Very high104 Ų10439.1 Ų39.156%0.55619%0.191SC*.THydrogen-bonded Turntrans-125.6-65.4177.1-174.215.6000112.3G108 E109 Q430G108-N111 CarbonylContact O-C 3.48Å; G108-N111 PolarHBondContact O-N 3.3Å; G108-N111 VanDerWaalsContact O-N 3.09Å; E109-N111 PolarHBondContact O-N 2.74Å; N111-Q430 PolarHBondContact O-NE2 3.5Å; N111-Q430 PolarHBondContact OD1-NE2 3.05Å
112L96.7Very high94.3Very high29 Ų2945.6 Ų45.615%0.15222%0.215CC..THydrogen-bonded Turntrans-79.9-38.4175.7-62.7178.2000111.4K104 G108 L429 Q430 F432K104-L112 HydrophobicContact CG-CD1 4.01Å; G108-L112 PolarHBondContact O-N 3.29Å; L112-L429 PolarHBondContact O-N 3.13Å; L112-Q430 HydrophobicContact CD2-CG 4.01Å; L112-F432 HydrophobicContact CB-CD1 4.21Å; L112-F432 HydrophobicContact CB-CE1 4.31Å; L112-F432 HydrophobicContact CD1-CD2 4.42Å; L112-F432 HydrophobicContact CD1-CG 4.42Å; L112-F432 HydrophobicContact CD2-CB 3.98Å; L112-F432 HydrophobicContact CD2-CD1 4.39Å; L112-F432 HydrophobicContact CD2-CG 4.24Å
113V97.1Very high94.2Very high0 Ų048.4 Ų48.40%023%0.229CC..EExtended strand (participates in β ladder)trans-141.2159.5-172.8-63.40000111.9I105 G108 E109 H110 R426 T427 F432I105-V113 HydrophobicContact CG2-CG2 4.15Å; I105-V113 VanDerWaalsContact O-CG2 3.26Å; I105-V113 WeakPolarHBondContact O-CG2 3.37Å; G108-V113 PolarHBondContact O-N 2.84Å; G108-V113 VanDerWaalsContact O-N 3.11Å; E109-V113 CarbonylContact C-O 3.54Å; E109-V113 WeakPolarHBondContact CA-O 3.49Å; H110-V113 PolarHBondContact N-O 2.73Å; V113-R426 HydrophobicContact CB-CB 3.97Å; V113-R426 HydrophobicContact CB-CG 4.32Å; V113-R426 HydrophobicContact CG1-CB 4.33Å; V113-R426 HydrophobicContact CG2-CB 4.34Å; V113-R426 HydrophobicContact CG2-CG 4.14Å; V113-T427 CarbonylContact C-O 3.46Å; V113-T427 VanDerWaalsContact CA-O 3.24Å; V113-T427 WeakPolarHBondContact CA-O 3.43Å; V113-F432 HydrophobicContact CG1-CE1 3.85Å; V113-F432 HydrophobicContact CG1-CZ 4.09Å
114C95.4Very high94.3Very high23 Ų2343.4 Ų43.416%0.15521%0.21CC..EExtended strand (participates in β ladder)trans-129.4148.8167.3700000111.6Q116 R426 T427 L429C114-Q116 PolarHBondContact O-N 3.14Å; C114-R426 CarbonylContact O-C 3.58Å; C114-R426 WeakPolarHBondContact O-CA 3.4Å; C114-R426 WeakPolarHBondContact O-CD 3.25Å; C114-T427 PolarHBondContact N-O 2.87Å; C114-T427 PolarHBondContact O-N 2.92Å; C114-L429 HydrophobicContact CB-CD1 4.13Å; C114-L429 HydrophobicContact CB-CD2 4.14Å; C114-L429 HydrophobicContact CB-CG 4.28Å
115T92.8Very high94.2Very high21 Ų2139.9 Ų39.913%0.12920%0.195CC..EExtended strand (participates in β ladder)trans-53.1130.1174.2-64.50000111.8E109 W117 R492E109-T115 WeakPolarHBondContact OE1-CB 3.42Å; E109-T115 PolarHBondContact OE1-N 2.84Å; E109-T115 PolarHBondContact OE1-OG1 2.82Å; E109-T115 PolarHBondContact OE2-OG1 3.3Å; T115-W117 VanDerWaalsContact CG2-CD1 3.45Å; T115-R492 PolarHBondContact OG1-NE 3.5Å; T115-R492 VanDerWaalsContact OG1-NE 3.11Å
116Q89.3Confident94Very high36 Ų3639.9 Ų39.917%0.16820%0.195CC..  trans-115.3112.5-179.4-177.6-177.2-7.100110.1C114 Y425 R426 T427 S444C114-Q116 PolarHBondContact O-N 3.14Å; Q116-Y425 PolarHBondContact N-O 3.18Å; Q116-Y425 VanDerWaalsContact N-O 3.15Å; Q116-R426 PolarHBondContact OE1-O 3.23Å; Q116-T427 PolarHBondContact OE1-OG1 3.49Å; Q116-S444 VanDerWaalsContact CD-OG 3.29Å; Q116-S444 PolarHBondContact NE2-OG 2.85Å; Q116-S444 PolarHBondContact OE1-OG 2.96Å
117W89.5Confident93.8Very high80 Ų8044 Ų4430%0.30322%0.222SC..  trans-111.2147.9170.4-72.5102.5000111.2T115 T121 R122 V131 F222T115-W117 VanDerWaalsContact CG2-CD1 3.45Å; W117-T121 HydrophobicContact CD2-CG2 4.3Å; W117-T121 HydrophobicContact CE3-CG2 3.75Å; W117-T121 HydrophobicContact CZ3-CG2 4.31Å; W117-R122 HydrophobicContact CB-CG 3.98Å; W117-V131 HydrophobicContact CD2-CG2 4.21Å; W117-V131 HydrophobicContact CH2-CG2 4.46Å; W117-V131 HydrophobicContact CZ2-CG2 3.46Å; W117-V131 VanDerWaalsContact CZ2-CG2 3.46Å; W117-F222 HydrophobicContact CZ3-CE1 4.5Å; W117-F222 HydrophobicContact CZ3-CZ 4.19Å
118P89.5Confident93.6Very high51 Ų5141.6 Ų41.633%0.33121%0.21SC..  trans-54.9149.2169.4-22.432.6000111.8S120 T121 R122 F222P118-S120 VanDerWaalsContact C-N 3.29Å; P118-S120 PolarHBondContact O-N 3.23Å; P118-T121 WeakPolarHBondContact O-CB 3.3Å; P118-T121 PolarHBondContact O-N 3.49Å; P118-T121 VanDerWaalsContact O-N 3.17Å; P118-R122 WeakPolarHBondContact O-CG 3.49Å; P118-R122 PolarHBondContact O-N 2.92Å; P118-F222 HydrophobicContact CG-CD1 3.73Å; P118-F222 HydrophobicContact CG-CE1 3.95Å
119Q91.7Very high93.5Very high118 Ų11841.3 Ų41.355%0.55121%0.207SC*.Hα-helixtrans-61-38.3-179.5-178.8176-2.700112.1R122 I123 P225Q119-R122 PolarHBondContact O-N 2.9Å; Q119-I123 HydrophobicContact CG-CD1 3.83Å; Q119-I123 HydrophobicContact CG-CG1 4.41Å; Q119-I123 VanDerWaalsContact O-CG1 3.27Å; Q119-I123 WeakPolarHBondContact O-CG1 3.28Å; Q119-I123 PolarHBondContact O-N 2.78Å; Q119-P225 HydrophobicContact CB-CB 4Å; Q119-P225 HydrophobicContact CG-CB 4Å
120S93.3Very high93.4Very high3 Ų341.6 Ų41.62%0.02121%0.208CC..Hα-helixtrans-59.1-45.917440.60000112.3P118 R122 I123 I124 L221 S223P118-S120 VanDerWaalsContact C-N 3.29Å; P118-S120 PolarHBondContact O-N 3.23Å; S120-R122 VanDerWaalsContact C-N 3.34Å; S120-R122 PolarHBondContact O-N 2.9Å; S120-I123 PolarHBondContact O-N 3.38Å; S120-I124 WeakPolarHBondContact O-CB 3.37Å; S120-I124 VanDerWaalsContact O-CG1 3.26Å; S120-I124 WeakPolarHBondContact O-CG1 3.42Å; S120-I124 PolarHBondContact O-N 2.92Å; S120-L221 CarbonylContact C-O 3.51Å; S120-L221 PolarHBondContact OG-O 3.05Å; S120-L221 VanDerWaalsContact OG-O 3.07Å; S120-S223 WeakPolarHBondContact CB-O 3.39Å; S120-S223 PolarHBondContact OG-O 3.21Å
121T93Very high93.4Very high0 Ų040.3 Ų40.30%020%0.204CC..Hα-helixtrans-59.6-44.8175.6-47.60000111.4W117 P118 I123 I124 L125 L221W117-T121 HydrophobicContact CD2-CG2 4.3Å; W117-T121 HydrophobicContact CE3-CG2 3.75Å; W117-T121 HydrophobicContact CZ3-CG2 4.31Å; P118-T121 WeakPolarHBondContact O-CB 3.3Å; P118-T121 PolarHBondContact O-N 3.49Å; P118-T121 VanDerWaalsContact O-N 3.17Å; T121-I123 PolarHBondContact O-N 3.21Å; T121-I124 PolarHBondContact O-N 3.49Å; T121-L125 HydrophobicContact CG2-CD1 3.78Å; T121-L125 HydrophobicContact CG2-CG 4.3Å; T121-L125 WeakPolarHBondContact O-CB 3.4Å; T121-L125 PolarHBondContact O-N 3.44Å; T121-L221 WeakPolarHBondContact CA-O 3.33Å; T121-L221 HydrophobicContact CG2-CD2 4.26Å; T121-L221 PolarHBondContact N-O 3.02Å; T121-L221 PolarHBondContact OG1-O 3.1Å
122R93.6Very high93.3Very high146 Ų14636.5 Ų36.555%0.55118%0.183SC*.Hα-helixtrans-61.4-44.4178-66.8177.966.7-164-1.3111.9W117 P118 Q119 S120 G126 N132W117-R122 HydrophobicContact CB-CG 3.98Å; P118-R122 WeakPolarHBondContact O-CG 3.49Å; P118-R122 PolarHBondContact O-N 2.92Å; Q119-R122 PolarHBondContact O-N 2.9Å; S120-R122 VanDerWaalsContact C-N 3.34Å; S120-R122 PolarHBondContact O-N 2.9Å; R122-G126 PolarHBondContact O-N 2.81Å; R122-G126 VanDerWaalsContact O-N 3.14Å; R122-N132 WeakPolarHBondContact CG-OD1 3.32Å; R122-N132 PolarHBondContact O-ND2 3.17Å
123I95.1Very high93.1Very high59 Ų5935.2 Ų35.230%0.30318%0.177SC..Hα-helixtrans-65.5-46.8178-68165.5000110.4Q119 S120 T121 L233 I237 R240Q119-I123 HydrophobicContact CG-CD1 3.83Å; Q119-I123 HydrophobicContact CG-CG1 4.41Å; Q119-I123 VanDerWaalsContact O-CG1 3.27Å; Q119-I123 WeakPolarHBondContact O-CG1 3.28Å; Q119-I123 PolarHBondContact O-N 2.78Å; S120-I123 PolarHBondContact O-N 3.38Å; T121-I123 PolarHBondContact O-N 3.21Å; I123-L233 HydrophobicContact CB-CD1 4.13Å; I123-L233 HydrophobicContact CD1-CD1 4.42Å; I123-L233 HydrophobicContact CD1-CD2 4.08Å; I123-L233 HydrophobicContact CG2-CD1 3.91Å; I123-I237 HydrophobicContact CG2-CD1 3.98Å; I123-I237 HydrophobicContact CG2-CG1 4.17Å; I123-R240 PolarHBondContact O-NH1 2.56Å
124I96.2Very high92.9Very high0 Ų040.1 Ų40.10%020%0.202CC..Hα-helixtrans-72.7-40-173.6-68.4164.5000112.1S120 T121 L217 N220 L221 L233 R240S120-I124 WeakPolarHBondContact O-CB 3.37Å; S120-I124 VanDerWaalsContact O-CG1 3.26Å; S120-I124 WeakPolarHBondContact O-CG1 3.42Å; S120-I124 PolarHBondContact O-N 2.92Å; T121-I124 PolarHBondContact O-N 3.49Å; I124-L217 HydrophobicContact CG2-CD1 3.91Å; I124-L217 HydrophobicContact CG2-CD2 4.17Å; I124-L217 HydrophobicContact CG2-CG 3.66Å; I124-N220 HydrophobicContact CD1-CB 4.31Å; I124-N220 WeakPolarHBondContact CD1-O 3.01Å; I124-L221 HydrophobicContact CB-CD2 3.93Å; I124-L221 HydrophobicContact CG2-CD2 3.6Å; I124-L233 HydrophobicContact CD1-CD1 4Å; I124-L233 HydrophobicContact CG1-CD1 3.84Å; I124-R240 WeakPolarHBondContact O-CD 3.45Å
125L94.6Very high92.7Very high3 Ų340.2 Ų40.22%0.01621%0.207CC..Hα-helixtrans-77.9-26.6178.5-65.9-179.4000112.6T121 T129 V131 L217 L221 F295T121-L125 HydrophobicContact CG2-CD1 3.78Å; T121-L125 HydrophobicContact CG2-CG 4.3Å; T121-L125 WeakPolarHBondContact O-CB 3.4Å; T121-L125 PolarHBondContact O-N 3.44Å; L125-T129 HydrophobicContact CB-CG2 4.33Å; L125-T129 VanDerWaalsContact O-CG2 3.26Å; L125-T129 WeakPolarHBondContact O-CG2 3.37Å; L125-V131 HydrophobicContact CD1-CG1 3.75Å; L125-L217 HydrophobicContact CD2-CD2 4.29Å; L125-L221 HydrophobicContact CD2-CD2 3.94Å; L125-L221 HydrophobicContact CG-CD2 3.93Å; L125-F295 HydrophobicContact CD1-CD1 4.15Å; L125-F295 HydrophobicContact CD1-CE1 3.93Å; L125-F295 HydrophobicContact CD1-CZ 4.14Å; L125-F295 HydrophobicContact CD2-CD2 4.28Å; L125-F295 HydrophobicContact CD2-CG 4.18Å
126G93.8Very high92.6Very high0 Ų045.3 Ų45.30%023%0.229CC..  trans93.3156.4179.600000113.5R122 N128 T129 N132R122-G126 PolarHBondContact O-N 2.81Å; R122-G126 VanDerWaalsContact O-N 3.14Å; G126-N128 VanDerWaalsContact C-N 3.35Å; G126-N128 PolarHBondContact O-N 2.91Å; G126-T129 PolarHBondContact O-OG1 3.1Å; G126-N132 PolarHBondContact O-ND2 3.25Å
127P92.1Very high92.7Very high90 Ų9048 Ų4858%0.58424%0.244SC*.THydrogen-bonded Turntrans-74.6-19.5-169.930.3-35.8000114.2T129P127-T129 VanDerWaalsContact C-N 3.33Å
128N92.1Very high92.9Very high46 Ų4644.2 Ų44.225%0.24623%0.23CC..THydrogen-bonded Turntrans-91.23.8-173.9-50.2-71.1000113.6G126 K141 E285 E288G126-N128 VanDerWaalsContact C-N 3.35Å; G126-N128 PolarHBondContact O-N 2.91Å; N128-K141 WeakPolarHBondContact O-CD 3.42Å; N128-K141 WeakPolarHBondContact O-CE 3.21Å; N128-K141 PolarHBondContact O-NZ 3.48Å; N128-E285 HydrophobicContact CB-CG 3.94Å; N128-E288 WeakPolarHBondContact CA-OE2 3.43Å; N128-E288 WeakPolarHBondContact CB-OE2 3.23Å; N128-E288 PolarHBondContact N-OE2 3.47Å; N128-E288 PolarHBondContact ND2-OE1 2.68Å; N128-E288 PolarHBondContact ND2-OE2 2.98Å
129T94.3Very high93.1Very high1 Ų146.6 Ų46.61%0.00624%0.235CC..SBendtrans-76.1149.1177.655.60000111.7L125 G126 P127 V131 N132 S133 E288 E292L125-T129 HydrophobicContact CB-CG2 4.33Å; L125-T129 VanDerWaalsContact O-CG2 3.26Å; L125-T129 WeakPolarHBondContact O-CG2 3.37Å; G126-T129 PolarHBondContact O-OG1 3.1Å; P127-T129 VanDerWaalsContact C-N 3.33Å; T129-V131 VanDerWaalsContact C-N 3.25Å; T129-V131 PolarHBondContact O-N 3.4Å; T129-V131 WeakPolarHBondContact OG1-CG1 3.39Å; T129-N132 PolarHBondContact O-N 2.87Å; T129-N132 WeakPolarHBondContact OG1-CB 3.49Å; T129-N132 PolarHBondContact OG1-ND2 3.46Å; T129-N132 VanDerWaalsContact OG1-ND2 3.14Å; T129-S133 WeakPolarHBondContact O-CB 3.13Å; T129-S133 PolarHBondContact O-N 3.45Å; T129-S133 PolarHBondContact O-OG 2.92Å; T129-E288 HydrophobicContact CG2-CB 4.06Å; T129-E292 VanDerWaalsContact CA-OE2 3.27Å; T129-E292 WeakPolarHBondContact CA-OE2 3.14Å; T129-E292 WeakPolarHBondContact CB-OE2 3.29Å; T129-E292 HydrophobicContact CG2-CB 4.03Å; T129-E292 HydrophobicContact CG2-CG 4.49Å
130L94.1Very high93.1Very high16 Ų1645 Ų458%0.08423%0.226CC..THydrogen-bonded Turntrans-58.4-40.4175.7-179.567.2000111.3N132 S133 H138 K141 R142 L145 E292 R492L130-N132 VanDerWaalsContact C-N 3.28Å; L130-N132 PolarHBondContact O-N 2.8Å; L130-S133 PolarHBondContact O-N 3.18Å; L130-H138 WeakPolarHBondContact CD1-CD2 3.29Å; L130-K141 HydrophobicContact CD1-CB 3.95Å; L130-R142 HydrophobicContact CD1-CB 3.82Å; L130-L145 HydrophobicContact CB-CD1 3.91Å; L130-L145 HydrophobicContact CD2-CD1 3.93Å; L130-L145 HydrophobicContact CG-CD1 4.42Å; L130-E292 WeakPolarHBondContact CA-OE1 2.94Å; L130-E292 VanDerWaalsContact CB-OE1 3.32Å; L130-E292 WeakPolarHBondContact CB-OE1 3.4Å; L130-E292 PolarHBondContact N-OE1 2.89Å; L130-E292 PolarHBondContact N-OE2 2.95Å; L130-R492 PolarHBondContact O-NH1 3.13Å
131V91.9Very high93.1Very high21 Ų2145.6 Ų45.613%0.12723%0.229CC..THydrogen-bonded Turntrans-60.8-34.4-179.870.10000112.9W117 L125 T129 E292W117-V131 HydrophobicContact CD2-CG2 4.21Å; W117-V131 HydrophobicContact CH2-CG2 4.46Å; W117-V131 HydrophobicContact CZ2-CG2 3.46Å; W117-V131 VanDerWaalsContact CZ2-CG2 3.46Å; L125-V131 HydrophobicContact CD1-CG1 3.75Å; T129-V131 VanDerWaalsContact C-N 3.25Å; T129-V131 PolarHBondContact O-N 3.4Å; T129-V131 WeakPolarHBondContact OG1-CG1 3.39Å; V131-E292 PolarHBondContact N-OE1 3.19Å
132N92.6Very high93.1Very high23 Ų2348 Ų4812%0.12324%0.237CC..THydrogen-bonded Turntrans-94.4-12.5179.1-69.7-30.2000113.9R122 G126 T129 L130R122-N132 WeakPolarHBondContact CG-OD1 3.32Å; R122-N132 PolarHBondContact O-ND2 3.17Å; G126-N132 PolarHBondContact O-ND2 3.25Å; T129-N132 PolarHBondContact O-N 2.87Å; T129-N132 WeakPolarHBondContact OG1-CB 3.49Å; T129-N132 PolarHBondContact OG1-ND2 3.46Å; T129-N132 VanDerWaalsContact OG1-ND2 3.14Å; L130-N132 VanDerWaalsContact C-N 3.28Å; L130-N132 PolarHBondContact O-N 2.8Å
133S92.8Very high93.1Very high2 Ų247.3 Ų47.31%0.01424%0.239CC..  trans-76.2148.8178.6-64.10000111.9T129 L130 K141 R492T129-S133 WeakPolarHBondContact O-CB 3.13Å; T129-S133 PolarHBondContact O-N 3.45Å; T129-S133 PolarHBondContact O-OG 2.92Å; L130-S133 PolarHBondContact O-N 3.18Å; S133-K141 WeakPolarHBondContact OG-CD 3.47Å; S133-R492 VanDerWaalsContact O-CZ 3.28Å; S133-R492 PolarHBondContact O-NH1 3.28Å; S133-R492 VanDerWaalsContact O-NH1 3.1Å; S133-R492 PolarHBondContact O-NH2 3.2Å
134I92.2Very high93Very high103 Ų10344.9 Ų44.953%0.52823%0.226SC..  trans-133.716617559171.2000111.2L137 H138I134-L137 PolarHBondContact O-N 3.49Å; I134-H138 PolarHBondContact O-N 2.98Å
135G91.2Very high92.8Very high25 Ų2545.4 Ų45.426%0.25823%0.229SC..Hα-helixtrans57.1-137.3175.500000114.1H110 L137 H138 K139H110-G135 PolarHBondContact CE1-N 3.15Å; H110-G135 PolarHBondContact ND1-N 2.88Å; H110-G135 PolarHBondContact NE2-N 2.76Å; G135-L137 PolarHBondContact O-N 2.85Å; G135-H138 WeakPolarHBondContact O-CB 3.31Å; G135-H138 PolarHBondContact O-N 3.02Å; G135-K139 PolarHBondContact O-N 2.95Å; G135-K139 VanDerWaalsContact O-N 3.15Å
136E91.1Very high92.7Very high129 Ų12947.5 Ų47.560%0.60325%0.247SC*.Hα-helixtrans-64.9-36.5-178.8-66.3-50.2121.600113.3H138 K139 K140E136-H138 VanDerWaalsContact C-N 3.29Å; E136-H138 PolarHBondContact O-N 3.15Å; E136-K139 PolarHBondContact O-N 3.46Å; E136-K139 VanDerWaalsContact O-N 3.14Å; E136-K139 WeakPolarHBondContact OE1-CD 3.24Å; E136-K139 WeakPolarHBondContact OE1-CE 3.25Å; E136-K139 IonicContact OE1-NZ 2.85Å; E136-K139 PolarHBondContact OE1-NZ 2.97Å; E136-K140 PolarHBondContact O-N 3.37Å
137L91.1Very high92.6Very high91 Ų9149.9 Ų49.948%0.47626%0.257SS..Hα-helixtrans-58.6-44.5175.818062.8000111I134 G135 K140 K141I134-L137 PolarHBondContact O-N 3.49Å; G135-L137 PolarHBondContact O-N 2.85Å; L137-K140 PolarHBondContact O-N 2.81Å; L137-K141 HydrophobicContact CD1-CD 4.25Å; L137-K141 HydrophobicContact CD1-CG 4.49Å; L137-K141 HydrophobicContact CG-CD 4.36Å; L137-K141 PolarHBondContact O-N 3.36Å
138H94.8Very high92.5Very high2 Ų245.6 Ų45.61%0.00923%0.229CC..Hα-helixtrans-61.8-46174.9170-95.6000112H110 L130 I134 G135 E136 K140 K141 R142 I491 R492H110-H138 AromaticContact NE2-CG 3.72Å; H110-H138 AromaticContact NE2-ND1 3.35Å; H110-H138 PolarHBondContact NE2-ND1 3.31Å; L130-H138 WeakPolarHBondContact CD1-CD2 3.29Å; I134-H138 PolarHBondContact O-N 2.98Å; G135-H138 WeakPolarHBondContact O-CB 3.31Å; G135-H138 PolarHBondContact O-N 3.02Å; E136-H138 VanDerWaalsContact C-N 3.29Å; E136-H138 PolarHBondContact O-N 3.15Å; H138-K140 PolarHBondContact O-N 2.94Å; H138-K141 PolarHBondContact O-N 3.27Å; H138-R142 WeakPolarHBondContact O-CB 3.37Å; H138-R142 PolarHBondContact O-N 3.24Å; H138-I491 PolarHBondContact CE1-O 2.95Å; H138-I491 VanDerWaalsContact CE1-O 3.27Å; H138-R492 VanDerWaalsContact CD2-CZ 3.46Å; H138-R492 PolarHBondContact CD2-NH1 3.35Å; H138-R492 WeakPolarHBondContact NE2-CD 3.24Å; H138-R492 PolarHBondContact NE2-NH1 3.47Å
139K93.3Very high92.6Very high101 Ų10144.4 Ų44.444%0.43922%0.222SC..Hα-helixtrans-60-45.2179.2-68.9177.1-173.4168.60111.4G135 E136 R142 K143G135-K139 PolarHBondContact O-N 2.95Å; G135-K139 VanDerWaalsContact O-N 3.15Å; E136-K139 PolarHBondContact O-N 3.46Å; E136-K139 VanDerWaalsContact O-N 3.14Å; E136-K139 WeakPolarHBondContact OE1-CD 3.24Å; E136-K139 WeakPolarHBondContact OE1-CE 3.25Å; E136-K139 IonicContact OE1-NZ 2.85Å; E136-K139 PolarHBondContact OE1-NZ 2.97Å; K139-R142 PolarHBondContact O-N 3.18Å; K139-K143 WeakPolarHBondContact O-CB 3.23Å; K139-K143 PolarHBondContact O-N 3.41Å
140K92.1Very high92.6Very high84 Ų8446.4 Ų46.437%0.36524%0.236SC..Hα-helixtrans-60.7-52.6177.7-170.1-179.3-173.6-175.50111.5E136 L137 H138 R142 K143 I144 H279E136-K140 PolarHBondContact O-N 3.37Å; L137-K140 PolarHBondContact O-N 2.81Å; H138-K140 PolarHBondContact O-N 2.94Å; K140-R142 VanDerWaalsContact C-N 3.33Å; K140-R142 PolarHBondContact O-N 2.97Å; K140-K143 WeakPolarHBondContact O-CB 3.31Å; K140-K143 PolarHBondContact O-N 3.42Å; K140-I144 HydrophobicContact CG-CD1 4.5Å; K140-I144 PolarHBondContact O-N 2.94Å; K140-I144 VanDerWaalsContact O-N 3.16Å; K140-H279 PolarHBondContact NZ-ND1 3.45Å
141K92.6Very high92.5Very high16 Ų1653.1 Ų53.17%0.0726%0.26CS..Hα-helixtrans-62.2-40.1178.9-75.1-179.1178.2-78.20112.3N128 L130 S133 L137 H138 K143 I144 L145 E285N128-K141 WeakPolarHBondContact O-CD 3.42Å; N128-K141 WeakPolarHBondContact O-CE 3.21Å; N128-K141 PolarHBondContact O-NZ 3.48Å; L130-K141 HydrophobicContact CD1-CB 3.95Å; S133-K141 WeakPolarHBondContact OG-CD 3.47Å; L137-K141 HydrophobicContact CD1-CD 4.25Å; L137-K141 HydrophobicContact CD1-CG 4.49Å; L137-K141 HydrophobicContact CG-CD 4.36Å; L137-K141 PolarHBondContact O-N 3.36Å; H138-K141 PolarHBondContact O-N 3.27Å; K141-K143 VanDerWaalsContact C-N 3.32Å; K141-K143 PolarHBondContact O-N 2.89Å; K141-I144 PolarHBondContact O-N 3.02Å; K141-L145 PolarHBondContact O-N 3.18Å; K141-E285 IonicContact NZ-OE1 3.72Å; K141-E285 PolarHBondContact NZ-OE1 3.01Å
142R94.7Very high92.4Very high49 Ų4953.7 Ų53.719%0.18527%0.271CS..Hα-helixtrans-60.6-43.1176-172.3178178.2854.3111.5L130 H138 K139 K140 I144 L145 A146 I491 S493L130-R142 HydrophobicContact CD1-CB 3.82Å; H138-R142 WeakPolarHBondContact O-CB 3.37Å; H138-R142 PolarHBondContact O-N 3.24Å; K139-R142 PolarHBondContact O-N 3.18Å; K140-R142 VanDerWaalsContact C-N 3.33Å; K140-R142 PolarHBondContact O-N 2.97Å; R142-I144 VanDerWaalsContact C-N 3.34Å; R142-L145 PolarHBondContact O-N 3.27Å; R142-A146 WeakPolarHBondContact O-CB 3.41Å; R142-A146 PolarHBondContact O-N 2.96Å; R142-I491 VanDerWaalsContact CD-O 3.22Å; R142-I491 WeakPolarHBondContact CD-O 3.33Å; R142-I491 PolarHBondContact NE-O 3.18Å; R142-I491 VanDerWaalsContact NE-O 3.13Å; R142-I491 PolarHBondContact NH1-O 3.5Å; R142-S493 PolarHBondContact NH1-O 3.44Å; R142-S493 PolarHBondContact NH2-O 2.82Å; R142-S493 PolarHBondContact NH2-OG 3.15Å
143K93.2Very high92.4Very high133 Ų13352.6 Ų52.658%0.57827%0.265SS*.Hα-helixtrans-61.6-43.2178.9-170.9-179.3177.5-158.10111.4K139 K140 K141 A146 N277K139-K143 WeakPolarHBondContact O-CB 3.23Å; K139-K143 PolarHBondContact O-N 3.41Å; K140-K143 WeakPolarHBondContact O-CB 3.31Å; K140-K143 PolarHBondContact O-N 3.42Å; K141-K143 VanDerWaalsContact C-N 3.32Å; K141-K143 PolarHBondContact O-N 2.89Å; K143-A146 PolarHBondContact O-N 3.27Å; K143-N277 VanDerWaalsContact CD-OD1 3.29Å; K143-N277 WeakPolarHBondContact CD-OD1 3.39Å; K143-N277 WeakPolarHBondContact CE-OD1 3.37Å; K143-N277 PolarHBondContact NZ-OD1 2.88Å
144I91.8Very high92.4Very high8 Ų852.7 Ų52.74%0.04127%0.265CS..Hα-helixtrans-61.7-51.6175.8-65.8169.1000110.4K140 K141 R142 A146 K147 M270 S273 A274 N277 H279K140-I144 HydrophobicContact CG-CD1 4.5Å; K140-I144 PolarHBondContact O-N 2.94Å; K140-I144 VanDerWaalsContact O-N 3.16Å; K141-I144 PolarHBondContact O-N 3.02Å; R142-I144 VanDerWaalsContact C-N 3.34Å; I144-A146 VanDerWaalsContact C-N 3.29Å; I144-A146 PolarHBondContact O-N 3.23Å; I144-K147 PolarHBondContact O-N 3.44Å; I144-M270 HydrophobicContact CG2-CG 4.05Å; I144-S273 WeakPolarHBondContact CA-OG 3.4Å; I144-S273 PolarHBondContact O-OG 3.41Å; I144-A274 HydrophobicContact CD1-CB 4.32Å; I144-A274 HydrophobicContact CG2-CB 4.26Å; I144-N277 HydrophobicContact CG1-CB 4.47Å; I144-H279 HydrophobicContact CD1-CB 4.36Å
145L92.1Very high92.5Very high11 Ų1151.4 Ų51.46%0.05826%0.257CS..Hα-helixtrans-68.4-24.7-178.5-75175.3000113.7L130 K141 R142 K147 V148 F149 M270 T289 L293L130-L145 HydrophobicContact CB-CD1 3.91Å; L130-L145 HydrophobicContact CD2-CD1 3.93Å; L130-L145 HydrophobicContact CG-CD1 4.42Å; K141-L145 PolarHBondContact O-N 3.18Å; R142-L145 PolarHBondContact O-N 3.27Å; L145-K147 PolarHBondContact O-N 2.9Å; L145-V148 HydrophobicContact CD2-CG2 4.5Å; L145-V148 WeakPolarHBondContact O-CB 3.47Å; L145-V148 PolarHBondContact O-N 3.17Å; L145-F149 VanDerWaalsContact O-CD2 3.24Å; L145-F149 WeakPolarHBondContact O-CD2 3.43Å; L145-M270 HydrophobicContact CD2-SD 4.45Å; L145-T289 HydrophobicContact CD2-CG2 3.71Å; L145-L293 HydrophobicContact CD2-CD2 4.34Å
146A92.9Very high92.5Very high47 Ų4752.7 Ų52.739%0.38826%0.26SS..Hα-helixtrans-62.1-30.5177.800000112.6R142 K143 I144 V148 F149 S150 V495R142-A146 WeakPolarHBondContact O-CB 3.41Å; R142-A146 PolarHBondContact O-N 2.96Å; K143-A146 PolarHBondContact O-N 3.27Å; I144-A146 VanDerWaalsContact C-N 3.29Å; I144-A146 PolarHBondContact O-N 3.23Å; A146-V148 VanDerWaalsContact C-N 3.3Å; A146-V148 PolarHBondContact O-N 3.46Å; A146-F149 CarbonylContact O-C 3.47Å; A146-F149 PolarHBondContact O-N 3.33Å; A146-S150 PolarHBondContact O-N 3.43Å; A146-V495 HydrophobicContact CB-CG2 4.42Å
147K91.2Very high92.6Very high50 Ų5046.6 Ų46.622%0.21723%0.231CC..Hα-helixtrans-65.7-33.9179.4-163-178.7-173.5-175.60112.5I144 L145 F149 S150 Y269 S272 E276I144-K147 PolarHBondContact O-N 3.44Å; L145-K147 PolarHBondContact O-N 2.9Å; K147-F149 PolarHBondContact O-N 3.18Å; K147-S150 VanDerWaalsContact O-CB 3.28Å; K147-S150 WeakPolarHBondContact O-CB 3.44Å; K147-S150 PolarHBondContact O-N 3.45Å; K147-S150 VanDerWaalsContact O-N 3.13Å; K147-S150 PolarHBondContact O-OG 2.98Å; K147-Y269 HydrophobicContact CG-CD1 4.36Å; K147-S272 PolarHBondContact NZ-OG 2.9Å; K147-E276 IonicContact NZ-OE1 3.34Å; K147-E276 PolarHBondContact NZ-OE1 3.4Å; K147-E276 IonicContact NZ-OE2 3.2Å; K147-E276 PolarHBondContact NZ-OE2 2.84Å
148V91.5Very high92.7Very high0 Ų042.3 Ų42.30%021%0.209CC..Hα-helixtrans-57.2-31.1175.3170.10000112.3L145 A146 A153 Y157 A266 M270L145-V148 HydrophobicContact CD2-CG2 4.5Å; L145-V148 WeakPolarHBondContact O-CB 3.47Å; L145-V148 PolarHBondContact O-N 3.17Å; A146-V148 VanDerWaalsContact C-N 3.3Å; A146-V148 PolarHBondContact O-N 3.46Å; V148-A153 VanDerWaalsContact O-CB 3.32Å; V148-A153 WeakPolarHBondContact O-CB 3.42Å; V148-Y157 WeakPolarHBondContact O-CE2 3.36Å; V148-Y157 PolarHBondContact O-OH 3.21Å; V148-A266 HydrophobicContact CB-CB 4.29Å; V148-A266 HydrophobicContact CG1-CB 3.24Å; V148-A266 HydrophobicContact CG2-CB 4.16Å; V148-A266 WeakPolarHBondContact CG2-O 3.49Å; V148-M270 HydrophobicContact CG2-CB 4.05Å
149F93.8Very high92.6Very high20 Ų2045 Ų459%0.08823%0.227CC..THydrogen-bonded Turntrans-111.121.4-177.5-51.4-79.6000111.9L145 A146 K147 L197 L293 V495 L499L145-F149 VanDerWaalsContact O-CD2 3.24Å; L145-F149 WeakPolarHBondContact O-CD2 3.43Å; A146-F149 CarbonylContact O-C 3.47Å; A146-F149 PolarHBondContact O-N 3.33Å; K147-F149 PolarHBondContact O-N 3.18Å; F149-L197 HydrophobicContact CE1-CD2 4.36Å; F149-L293 HydrophobicContact CE2-CD2 4.16Å; F149-L293 HydrophobicContact CZ-CD2 3.69Å; F149-V495 WeakPolarHBondContact CB-O 3.3Å; F149-V495 HydrophobicContact CD2-CB 4.39Å; F149-V495 HydrophobicContact CD2-CG1 4.09Å; F149-V495 HydrophobicContact CD2-CG2 3.78Å; F149-V495 HydrophobicContact CE2-CB 4.47Å; F149-V495 HydrophobicContact CE2-CG1 3.7Å; F149-V495 HydrophobicContact CE2-CG2 4.16Å; F149-V495 HydrophobicContact CZ-CG1 4.44Å; F149-L499 HydrophobicContact CD1-CB 4.03Å; F149-L499 HydrophobicContact CD1-CD2 4.08Å; F149-L499 HydrophobicContact CE1-CB 4.42Å; F149-L499 HydrophobicContact CE1-CD2 3.71Å
150S93Very high92.6Very high44 Ų4443.8 Ų43.831%0.30822%0.219SC..SBendtrans-68.5156.4173.266.30000110.9A146 K147 G152 A153 L154A146-S150 PolarHBondContact O-N 3.43Å; K147-S150 VanDerWaalsContact O-CB 3.28Å; K147-S150 WeakPolarHBondContact O-CB 3.44Å; K147-S150 PolarHBondContact O-N 3.45Å; K147-S150 VanDerWaalsContact O-N 3.13Å; K147-S150 PolarHBondContact O-OG 2.98Å; S150-G152 VanDerWaalsContact C-N 3.32Å; S150-G152 PolarHBondContact O-N 3.28Å; S150-A153 WeakPolarHBondContact O-CB 3.4Å; S150-A153 PolarHBondContact O-N 3.16Å; S150-A153 PolarHBondContact OG-N 3.45Å; S150-L154 WeakPolarHBondContact O-CG 3.22Å; S150-L154 PolarHBondContact O-N 2.99Å
151R92.3Very high92.7Very high156 Ų15639.8 Ų39.859%0.58920%0.202SC*.Hα-helixtrans-51.9-49.1179.6178.3176.3174.3154.22.3112.3A153 L154 E155 E399R151-A153 VanDerWaalsContact C-N 3.3Å; R151-A153 PolarHBondContact O-N 2.69Å; R151-L154 PolarHBondContact O-N 3.17Å; R151-E155 HydrophobicContact CG-CG 4.49Å; R151-E155 WeakPolarHBondContact CG-OE1 3.27Å; R151-E155 IonicContact CZ-OE1 2.82Å; R151-E155 IonicContact NE-OE1 3.86Å; R151-E155 PolarHBondContact NE-OE1 3.31Å; R151-E155 IonicContact NH2-OE1 3.88Å; R151-E155 WeakPolarHBondContact O-CG 3.21Å; R151-E155 PolarHBondContact O-N 3.24Å; R151-E399 IonicContact NH2-OE1 3.75Å; R151-E399 PolarHBondContact NH2-OE1 3.37Å
152G91.1Very high92.9Very high34 Ų3439 Ų3935%0.35120%0.199SC..Hα-helixtrans-61.6-36.5178.900000113.1S150 T156S150-G152 VanDerWaalsContact C-N 3.32Å; S150-G152 PolarHBondContact O-N 3.28Å; G152-T156 WeakPolarHBondContact O-CG2 3.46Å; G152-T156 PolarHBondContact O-N 3.14Å
153A91.3Very high92.8Very high0 Ų041.1 Ų41.10%021%0.213CC..Hα-helixtrans-65-47.1173.500000111.6V148 S150 R151 E155 T156 Y157 Y269V148-A153 VanDerWaalsContact O-CB 3.32Å; V148-A153 WeakPolarHBondContact O-CB 3.42Å; S150-A153 WeakPolarHBondContact O-CB 3.4Å; S150-A153 PolarHBondContact O-N 3.16Å; S150-A153 PolarHBondContact OG-N 3.45Å; R151-A153 VanDerWaalsContact C-N 3.3Å; R151-A153 PolarHBondContact O-N 2.69Å; A153-E155 VanDerWaalsContact C-N 3.31Å; A153-E155 PolarHBondContact O-N 3.5Å; A153-T156 PolarHBondContact O-N 3.16Å; A153-T156 VanDerWaalsContact O-N 3.1Å; A153-T156 PolarHBondContact O-OG1 3.01Å; A153-Y157 HydrophobicContact CB-CE2 4.21Å; A153-Y157 WeakPolarHBondContact O-CD1 3.44Å; A153-Y157 WeakPolarHBondContact O-CE1 3.37Å; A153-Y157 VanDerWaalsContact O-CG 3.24Å; A153-Y157 PolarHBondContact O-N 2.86Å; A153-Y269 HydrophobicContact CB-CD1 4.32Å; A153-Y269 HydrophobicContact CB-CD2 3.79Å; A153-Y269 HydrophobicContact CB-CE1 4.11Å; A153-Y269 HydrophobicContact CB-CE2 3.55Å; A153-Y269 HydrophobicContact CB-CG 4.18Å
154L94.3Very high92.9Very high4 Ų435.4 Ų35.42%0.02119%0.189CC..Hα-helixtrans-62.3-36.8179.5-59.9174.5000112.8S150 R151 T156 Y157 L158 M398 E498 L499 M502S150-L154 WeakPolarHBondContact O-CG 3.22Å; S150-L154 PolarHBondContact O-N 2.99Å; R151-L154 PolarHBondContact O-N 3.17Å; L154-T156 VanDerWaalsContact C-N 3.27Å; L154-T156 PolarHBondContact O-N 3.28Å; L154-Y157 HydrophobicContact CD2-CD2 3.99Å; L154-Y157 HydrophobicContact CD2-CE2 4.38Å; L154-Y157 WeakPolarHBondContact O-CB 3.41Å; L154-Y157 PolarHBondContact O-N 3.03Å; L154-L158 PolarHBondContact O-N 3.27Å; L154-M398 HydrophobicContact CB-CE 4.39Å; L154-E498 HydrophobicContact CD1-CB 3.42Å; L154-E498 VanDerWaalsContact CD1-CB 3.42Å; L154-E498 HydrophobicContact CD1-CG 4.43Å; L154-L499 HydrophobicContact CD2-CB 3.87Å; L154-L499 HydrophobicContact CD2-CD1 4.13Å; L154-M502 HydrophobicContact CB-CE 4.38Å; L154-M502 HydrophobicContact CB-SD 4.26Å; L154-M502 HydrophobicContact CD2-CE 4.16Å
155E93.1Very high93.1Very high76 Ų7635 Ų3536%0.35519%0.187SC..Hα-helixtrans-56.3-41.5173.5-75.9168.8-17400111.4R151 A153 Y157 P159 M398R151-E155 HydrophobicContact CG-CG 4.49Å; R151-E155 WeakPolarHBondContact CG-OE1 3.27Å; R151-E155 IonicContact CZ-OE1 2.82Å; R151-E155 IonicContact NE-OE1 3.86Å; R151-E155 PolarHBondContact NE-OE1 3.31Å; R151-E155 IonicContact NH2-OE1 3.88Å; R151-E155 WeakPolarHBondContact O-CG 3.21Å; R151-E155 PolarHBondContact O-N 3.24Å; A153-E155 VanDerWaalsContact C-N 3.31Å; A153-E155 PolarHBondContact O-N 3.5Å; E155-Y157 VanDerWaalsContact C-N 3.29Å; E155-Y157 PolarHBondContact O-N 2.85Å; E155-P159 WeakPolarHBondContact O-CD 3.48Å; E155-M398 HydrophobicContact CB-CG 4.31Å; E155-M398 HydrophobicContact CG-CB 3.92Å; E155-M398 HydrophobicContact CG-CG 3.43Å; E155-M398 VanDerWaalsContact CG-CG 3.43Å
156T91.1Very high93.3Very high52 Ų5235.8 Ų35.832%0.31919%0.19SC..Hα-helixtrans-73.3-18.6175.671.50000114.2G152 A153 L154 R160G152-T156 WeakPolarHBondContact O-CG2 3.46Å; G152-T156 PolarHBondContact O-N 3.14Å; A153-T156 PolarHBondContact O-N 3.16Å; A153-T156 VanDerWaalsContact O-N 3.1Å; A153-T156 PolarHBondContact O-OG1 3.01Å; L154-T156 VanDerWaalsContact C-N 3.27Å; L154-T156 PolarHBondContact O-N 3.28Å; T156-R160 PolarHBondContact O-NH2 3.36Å
157Y93.4Very high93.3Very high0 Ų035.7 Ų35.70%019%0.187CC..Hα-helixtrans-86.5-34.1-178.1-64.9-7000111.8V148 A153 L154 E155 R160 L161 V196 L197 A266 Y269V148-Y157 WeakPolarHBondContact O-CE2 3.36Å; V148-Y157 PolarHBondContact O-OH 3.21Å; A153-Y157 HydrophobicContact CB-CE2 4.21Å; A153-Y157 WeakPolarHBondContact O-CD1 3.44Å; A153-Y157 WeakPolarHBondContact O-CE1 3.37Å; A153-Y157 VanDerWaalsContact O-CG 3.24Å; A153-Y157 PolarHBondContact O-N 2.86Å; L154-Y157 HydrophobicContact CD2-CD2 3.99Å; L154-Y157 HydrophobicContact CD2-CE2 4.38Å; L154-Y157 WeakPolarHBondContact O-CB 3.41Å; L154-Y157 PolarHBondContact O-N 3.03Å; E155-Y157 VanDerWaalsContact C-N 3.29Å; E155-Y157 PolarHBondContact O-N 2.85Å; Y157-R160 PolarHBondContact O-N 3.47Å; Y157-L161 WeakPolarHBondContact O-CB 3.33Å; Y157-L161 PolarHBondContact O-N 3.33Å; Y157-V196 VanDerWaalsContact CB-CG1 3.47Å; Y157-V196 HydrophobicContact CD1-CG1 4.01Å; Y157-V196 HydrophobicContact CD2-CG1 4.09Å; Y157-V196 HydrophobicContact CG-CG1 3.58Å; Y157-L197 HydrophobicContact CD2-CD2 4.44Å; Y157-L197 HydrophobicContact CE2-CD2 4.1Å; Y157-A266 VanDerWaalsContact OH-CA 3.24Å; Y157-A266 WeakPolarHBondContact OH-CA 3.48Å; Y157-A266 PolarHBondContact OH-N 2.95Å; Y157-A266 VanDerWaalsContact OH-N 3.13Å; Y157-Y269 HydrophobicContact CE1-CD2 4.43Å; Y157-Y269 HydrophobicContact CE1-CE2 4.25Å; Y157-Y269 WeakPolarHBondContact OH-CD2 3.47Å
158L94.5Very high93.4Very high2 Ų233.7 Ų33.71%0.0118%0.178CC..Hα-helixtrans-55.6-46.8-168.9177.559000114.3L154 R160 L161 Q162 L396 M398 L401 M502L154-L158 PolarHBondContact O-N 3.27Å; L158-R160 PolarHBondContact O-N 2.9Å; L158-L161 WeakPolarHBondContact O-CB 3.46Å; L158-L161 PolarHBondContact O-N 2.84Å; L158-Q162 WeakPolarHBondContact O-CB 3.4Å; L158-Q162 PolarHBondContact O-N 3.2Å; L158-L396 HydrophobicContact CD1-CB 4.31Å; L158-L396 HydrophobicContact CD2-CB 4.15Å; L158-L396 VanDerWaalsContact CD2-O 3.26Å; L158-L396 WeakPolarHBondContact CD2-O 3.2Å; L158-L396 HydrophobicContact CG-CB 4.33Å; L158-M398 HydrophobicContact CD2-CG 4.16Å; L158-M398 HydrophobicContact CD2-SD 4.1Å; L158-L401 HydrophobicContact CD1-CD1 3.67Å; L158-L401 HydrophobicContact CD2-CD1 3.83Å; L158-L401 HydrophobicContact CD2-CG 4.44Å; L158-L401 HydrophobicContact CG-CD1 4.44Å; L158-M502 HydrophobicContact CB-SD 3.93Å; L158-M502 HydrophobicContact CD1-CG 3.95Å; L158-M502 HydrophobicContact CD1-SD 3.96Å; L158-M502 HydrophobicContact CG-SD 4.43Å
159P92.4Very high93.6Very high59 Ų5933.9 Ų33.938%0.38318%0.179SC..Hα-helixtrans-60.4-49.8-179-25.335.4000112.5E155 L161 Q162 D163E155-P159 WeakPolarHBondContact O-CD 3.48Å; P159-L161 VanDerWaalsContact C-N 3.31Å; P159-L161 PolarHBondContact O-N 2.7Å; P159-Q162 PolarHBondContact O-N 2.93Å; P159-D163 PolarHBondContact O-N 3.37Å
160R91.7Very high93.5Very high75 Ų7532.9 Ų32.928%0.28318%0.175SC..Hα-helixtrans-64.6-35.6178-73.5175.3-67.4168.7-0.1112.5T156 Y157 L158 I164 V196 Y264T156-R160 PolarHBondContact O-NH2 3.36Å; Y157-R160 PolarHBondContact O-N 3.47Å; L158-R160 PolarHBondContact O-N 2.9Å; R160-I164 WeakPolarHBondContact O-CD1 3.27Å; R160-I164 VanDerWaalsContact O-CG1 3.23Å; R160-I164 WeakPolarHBondContact O-CG1 3.49Å; R160-I164 PolarHBondContact O-N 3.06Å; R160-I164 VanDerWaalsContact O-N 3.14Å; R160-V196 HydrophobicContact CB-CG2 4.36Å; R160-Y264 PolarHBondContact NH1-O 2.96Å; R160-Y264 PolarHBondContact NH2-O 3.07Å
161L95.1Very high93.6Very high0 Ų033.8 Ų33.80%017%0.173CC..Hα-helixtrans-62.6-48.1174.4179.7166.8000110.2Y157 L158 P159 D163 I164 V165 I192 V196 L499 M502 I503 T506Y157-L161 WeakPolarHBondContact O-CB 3.33Å; Y157-L161 PolarHBondContact O-N 3.33Å; L158-L161 WeakPolarHBondContact O-CB 3.46Å; L158-L161 PolarHBondContact O-N 2.84Å; P159-L161 VanDerWaalsContact C-N 3.31Å; P159-L161 PolarHBondContact O-N 2.7Å; L161-D163 VanDerWaalsContact C-N 3.33Å; L161-D163 PolarHBondContact O-N 2.75Å; L161-I164 PolarHBondContact O-N 3.35Å; L161-V165 HydrophobicContact CD2-CG2 3.93Å; L161-V165 WeakPolarHBondContact O-CG2 3.29Å; L161-V165 PolarHBondContact O-N 2.91Å; L161-I192 HydrophobicContact CG-CD1 4.45Å; L161-V196 HydrophobicContact CB-CG2 4.44Å; L161-L499 HydrophobicContact CD1-CD1 4.24Å; L161-M502 HydrophobicContact CD1-CE 3.38Å; L161-M502 HydrophobicContact CD1-CG 4.26Å; L161-M502 HydrophobicContact CD1-SD 4.45Å; L161-I503 HydrophobicContact CD1-CG1 3.55Å; L161-I503 HydrophobicContact CG-CG1 4.28Å; L161-T506 HydrophobicContact CD2-CG2 3.63Å
162Q96Very high93.7Very high0 Ų026.7 Ų26.70%015%0.146CC..Hα-helixtrans-60-43.7178.2-172-175.36.400111.2L158 P159 I164 V165 K166 P394 L396 T506 E510L158-Q162 WeakPolarHBondContact O-CB 3.4Å; L158-Q162 PolarHBondContact O-N 3.2Å; P159-Q162 PolarHBondContact O-N 2.93Å; Q162-I164 VanDerWaalsContact C-N 3.31Å; Q162-I164 PolarHBondContact O-N 3.47Å; Q162-V165 PolarHBondContact O-N 3.04Å; Q162-V165 VanDerWaalsContact O-N 3.14Å; Q162-K166 HydrophobicContact CG-CD 4.25Å; Q162-K166 HydrophobicContact CG-CG 4.38Å; Q162-K166 WeakPolarHBondContact O-CB 3.41Å; Q162-K166 WeakPolarHBondContact O-CG 3.44Å; Q162-K166 PolarHBondContact O-N 3.23Å; Q162-P394 PolarHBondContact NE2-O 3.28Å; Q162-L396 HydrophobicContact CG-CD1 4.18Å; Q162-T506 HydrophobicContact CB-CG2 4.12Å; Q162-T506 HydrophobicContact CG-CG2 4.12Å; Q162-E510 WeakPolarHBondContact CG-OE1 3.36Å; Q162-E510 PolarHBondContact NE2-OE1 3.01Å
163D93.8Very high93.9Very high92 Ų9225.8 Ų25.849%0.49214%0.135SC..Hα-helixtrans-58.9-42176.8-67.3-25.7000112.5P159 L161 K166 S167P159-D163 PolarHBondContact O-N 3.37Å; L161-D163 VanDerWaalsContact C-N 3.33Å; L161-D163 PolarHBondContact O-N 2.75Å; D163-K166 PolarHBondContact O-N 3.01Å; D163-S167 WeakPolarHBondContact O-CB 3.47Å; D163-S167 PolarHBondContact O-N 2.69Å
164I94.8Very high93.9Very high14 Ų1429.2 Ų29.27%0.07216%0.158CC..Hα-helixtrans-65.4-42.4176.6-65.7163.9000110.5R160 L161 Q162 S167 E168 L188 R191 I192 R195 V196R160-I164 WeakPolarHBondContact O-CD1 3.27Å; R160-I164 VanDerWaalsContact O-CG1 3.23Å; R160-I164 WeakPolarHBondContact O-CG1 3.49Å; R160-I164 PolarHBondContact O-N 3.06Å; R160-I164 VanDerWaalsContact O-N 3.14Å; L161-I164 PolarHBondContact O-N 3.35Å; Q162-I164 VanDerWaalsContact C-N 3.31Å; Q162-I164 PolarHBondContact O-N 3.47Å; I164-S167 PolarHBondContact O-N 3.42Å; I164-E168 WeakPolarHBondContact O-CB 3.42Å; I164-E168 PolarHBondContact O-N 3.31Å; I164-L188 HydrophobicContact CG2-CD1 3.77Å; I164-R191 HydrophobicContact CG2-CB 4.16Å; I164-I192 HydrophobicContact CB-CG1 4.41Å; I164-I192 HydrophobicContact CD1-CG1 4.45Å; I164-I192 HydrophobicContact CG2-CG1 3.88Å; I164-R195 HydrophobicContact CD1-CB 3.81Å; I164-V196 HydrophobicContact CD1-CG2 3.7Å
165V96.7Very high93.9Very high0 Ų034.3 Ų34.30%018%0.182CC..Hα-helixtrans-63.8-46.3177.2171.70000110.9L161 Q162 S167 E168 I169 L188 I192 T506 L507 E510L161-V165 HydrophobicContact CD2-CG2 3.93Å; L161-V165 WeakPolarHBondContact O-CG2 3.29Å; L161-V165 PolarHBondContact O-N 2.91Å; Q162-V165 PolarHBondContact O-N 3.04Å; Q162-V165 VanDerWaalsContact O-N 3.14Å; V165-S167 PolarHBondContact O-N 2.94Å; V165-E168 PolarHBondContact O-N 2.77Å; V165-I169 HydrophobicContact CG1-CD1 3.73Å; V165-I169 HydrophobicContact CG1-CG1 4.48Å; V165-I169 WeakPolarHBondContact O-CG1 3.43Å; V165-I169 PolarHBondContact O-N 3.19Å; V165-L188 HydrophobicContact CG2-CD1 4.25Å; V165-I192 HydrophobicContact CG2-CD1 4.38Å; V165-T506 HydrophobicContact CB-CG2 4.29Å; V165-T506 HydrophobicContact CG1-CG2 4.36Å; V165-T506 HydrophobicContact CG2-CG2 4.22Å; V165-L507 HydrophobicContact CG1-CD1 4.1Å; V165-E510 HydrophobicContact CG1-CB 4.03Å; V165-E510 HydrophobicContact CG1-CG 3.96Å
166K94.6Very high93.8Very high26 Ų2636.9 Ų36.911%0.11321%0.205CC..Hα-helixtrans-57.9-48.5175.8-77.6-180175.5-176.10111.9Q162 D163 E168 I169 A170 S391 I393 E510Q162-K166 HydrophobicContact CG-CD 4.25Å; Q162-K166 HydrophobicContact CG-CG 4.38Å; Q162-K166 WeakPolarHBondContact O-CB 3.41Å; Q162-K166 WeakPolarHBondContact O-CG 3.44Å; Q162-K166 PolarHBondContact O-N 3.23Å; D163-K166 PolarHBondContact O-N 3.01Å; K166-E168 VanDerWaalsContact C-N 3.28Å; K166-E168 PolarHBondContact O-N 2.92Å; K166-I169 PolarHBondContact O-N 3.49Å; K166-A170 WeakPolarHBondContact O-CB 3.35Å; K166-A170 PolarHBondContact O-N 2.89Å; K166-S391 WeakPolarHBondContact CE-OG 3.49Å; K166-I393 PolarHBondContact NZ-O 3.43Å; K166-E510 WeakPolarHBondContact CE-OE1 3.44Å; K166-E510 HydrophobicContact CG-CG 4.35Å; K166-E510 WeakPolarHBondContact CG-OE2 3.32Å
167S93.2Very high94.1Very high46 Ų4635.7 Ų35.732%0.32220%0.204SC..Hα-helixtrans-60.5-39.9177.5-179.80000111.7D163 I164 V165 A170 K171D163-S167 WeakPolarHBondContact O-CB 3.47Å; D163-S167 PolarHBondContact O-N 2.69Å; I164-S167 PolarHBondContact O-N 3.42Å; V165-S167 PolarHBondContact O-N 2.94Å; S167-A170 PolarHBondContact O-N 3.25Å; S167-K171 WeakPolarHBondContact O-CG 3.41Å; S167-K171 PolarHBondContact O-N 3.48Å
168E94.4Very high94.2Very high7 Ų738.9 Ų38.93%0.03322%0.224CC..Hα-helixtrans-69.1-43.5178.9-171.765.6-174.400112.4I164 V165 K166 A170 K171 W172 L188 R191I164-E168 WeakPolarHBondContact O-CB 3.42Å; I164-E168 PolarHBondContact O-N 3.31Å; V165-E168 PolarHBondContact O-N 2.77Å; K166-E168 VanDerWaalsContact C-N 3.28Å; K166-E168 PolarHBondContact O-N 2.92Å; E168-A170 VanDerWaalsContact C-N 3.3Å; E168-A170 PolarHBondContact O-N 3.34Å; E168-K171 WeakPolarHBondContact O-CB 3.42Å; E168-K171 PolarHBondContact O-N 3.18Å; E168-K171 VanDerWaalsContact O-N 3.16Å; E168-W172 HydrophobicContact CG-CZ2 3.68Å; E168-W172 PolarHBondContact O-N 3.18Å; E168-W172 PolarHBondContact OE1-NE1 2.68Å; E168-L188 HydrophobicContact CB-CD1 3.89Å; E168-L188 HydrophobicContact CG-CB 4.08Å; E168-L188 HydrophobicContact CG-CD1 4.07Å; E168-L188 HydrophobicContact CG-CD2 4.39Å; E168-L188 HydrophobicContact CG-CG 4.39Å; E168-R191 IonicContact OE1-NH2 2.9Å; E168-R191 IonicContact OE2-CZ 3.53Å; E168-R191 IonicContact OE2-NH1 3.18Å; E168-R191 PolarHBondContact OE2-NH1 3.04Å; E168-R191 IonicContact OE2-NH2 3.02Å; E168-R191 PolarHBondContact OE2-NH2 3.3Å
169I94.7Very high94.4Very high4 Ų439.4 Ų39.42%0.02123%0.227CC..Hα-helixtrans-62.8-39.2175-72.1167.8000111.2V165 K166 K171 W172 C173 L507 E510 V511 C515V165-I169 HydrophobicContact CG1-CD1 3.73Å; V165-I169 HydrophobicContact CG1-CG1 4.48Å; V165-I169 WeakPolarHBondContact O-CG1 3.43Å; V165-I169 PolarHBondContact O-N 3.19Å; K166-I169 PolarHBondContact O-N 3.49Å; I169-K171 VanDerWaalsContact C-N 3.3Å; I169-K171 PolarHBondContact O-N 3.32Å; I169-W172 HydrophobicContact CG1-CE3 4.19Å; I169-W172 HydrophobicContact CG1-CZ3 4.26Å; I169-W172 PolarHBondContact O-N 2.92Å; I169-W172 VanDerWaalsContact O-N 3.16Å; I169-C173 PolarHBondContact O-N 3.12Å; I169-C173 PolarHBondContact O-SG 3.2Å; I169-L507 HydrophobicContact CD1-CD1 4.28Å; I169-E510 HydrophobicContact CD1-CB 3.28Å; I169-E510 HydrophobicContact CD1-CG 4.4Å; I169-V511 HydrophobicContact CD1-CG2 3.75Å; I169-V511 HydrophobicContact CG1-CG2 4.17Å; I169-C515 WeakPolarHBondContact CG2-SG 3.46Å
170A93.2Very high94.7Very high0 Ų038.4 Ų38.40%022%0.219CC..Hα-helixtrans-60.9-40.1174.600000112.1K166 S167 E168 C173 S174 Y545K166-A170 WeakPolarHBondContact O-CB 3.35Å; K166-A170 PolarHBondContact O-N 2.89Å; S167-A170 PolarHBondContact O-N 3.25Å; E168-A170 VanDerWaalsContact C-N 3.3Å; E168-A170 PolarHBondContact O-N 3.34Å; A170-C173 PolarHBondContact O-N 2.85Å; A170-S174 WeakPolarHBondContact O-CB 3.32Å; A170-S174 PolarHBondContact O-N 2.85Å; A170-S174 VanDerWaalsContact O-N 3.13Å; A170-S174 PolarHBondContact O-OG 3.39Å; A170-Y545 VanDerWaalsContact CA-OH 3.23Å; A170-Y545 WeakPolarHBondContact CA-OH 3.05Å; A170-Y545 WeakPolarHBondContact CB-OH 3.49Å
171K93.5Very high95Very high63 Ų6334.9 Ų34.927%0.27421%0.206SC..Hα-helixtrans-61-49171.4-69.4174.6-175.7-170.50110.6S167 E168 I169 C173 S174 E175 E204S167-K171 WeakPolarHBondContact O-CG 3.41Å; S167-K171 PolarHBondContact O-N 3.48Å; E168-K171 WeakPolarHBondContact O-CB 3.42Å; E168-K171 PolarHBondContact O-N 3.18Å; E168-K171 VanDerWaalsContact O-N 3.16Å; I169-K171 VanDerWaalsContact C-N 3.3Å; I169-K171 PolarHBondContact O-N 3.32Å; K171-C173 VanDerWaalsContact C-N 3.3Å; K171-C173 PolarHBondContact O-N 3.49Å; K171-S174 PolarHBondContact O-N 3.42Å; K171-E175 PolarHBondContact O-N 3.32Å; K171-E204 IonicContact NZ-OE1 3.89Å; K171-E204 PolarHBondContact NZ-OE1 3.08Å
172W95.7Very high95.1Very high7 Ų736.6 Ų36.63%0.02721%0.212CC..Hα-helixtrans-58.2-40.8179.8-59.4-7.1000113E168 I169 S174 E175 V179 A184 L507 V511 F543E168-W172 HydrophobicContact CG-CZ2 3.68Å; E168-W172 PolarHBondContact O-N 3.18Å; E168-W172 PolarHBondContact OE1-NE1 2.68Å; I169-W172 HydrophobicContact CG1-CE3 4.19Å; I169-W172 HydrophobicContact CG1-CZ3 4.26Å; I169-W172 PolarHBondContact O-N 2.92Å; I169-W172 VanDerWaalsContact O-N 3.16Å; W172-S174 VanDerWaalsContact C-N 3.27Å; W172-S174 PolarHBondContact O-N 2.89Å; W172-E175 PolarHBondContact O-N 3.13Å; W172-V179 HydrophobicContact CB-CG2 4.14Å; W172-V179 HydrophobicContact CG-CG1 4.21Å; W172-A184 HydrophobicContact CZ2-CB 3.86Å; W172-L507 HydrophobicContact CH2-CD1 4.13Å; W172-L507 HydrophobicContact CZ3-CD1 4.25Å; W172-V511 HydrophobicContact CZ3-CG2 4.41Å; W172-F543 HydrophobicContact CB-CB 4.2Å; W172-F543 HydrophobicContact CB-CD2 3.95Å; W172-F543 HydrophobicContact CB-CG 4.06Å; W172-F543 HydrophobicContact CE3-CD1 4.37Å; W172-F543 AromaticContact CE3-CE1 3.99Å; W172-F543 HydrophobicContact CE3-CE1 3.99Å; W172-F543 HydrophobicContact CE3-CE2 4.13Å; W172-F543 AromaticContact CE3-CZ 3.85Å; W172-F543 HydrophobicContact CE3-CZ 3.85Å; W172-F543 HydrophobicContact CZ3-CE1 4.44Å; W172-F543 HydrophobicContact CZ3-CZ 4.25Å
173C94Very high95.1Very high15 Ų1540.2 Ų40.210%0.10124%0.235CC..Hα-helixtrans-74.3-16.7178.2-64.10000113.9I169 A170 K171 Y545I169-C173 PolarHBondContact O-N 3.12Å; I169-C173 PolarHBondContact O-SG 3.2Å; A170-C173 PolarHBondContact O-N 2.85Å; K171-C173 VanDerWaalsContact C-N 3.3Å; K171-C173 PolarHBondContact O-N 3.49Å; C173-Y545 HydrophobicContact CB-CD2 3.88Å; C173-Y545 HydrophobicContact CB-CE2 3.74Å; C173-Y545 HydrophobicContact CB-CG 4.36Å
174S92.8Very high95.2Very high71 Ų7136.4 Ų36.450%0.49722%0.215SC..Hα-helixtrans-92.8-11.7178.3-55.80000112.3A170 K171 W172A170-S174 WeakPolarHBondContact O-CB 3.32Å; A170-S174 PolarHBondContact O-N 2.85Å; A170-S174 VanDerWaalsContact O-N 3.13Å; A170-S174 PolarHBondContact O-OG 3.39Å; K171-S174 PolarHBondContact O-N 3.42Å; W172-S174 VanDerWaalsContact C-N 3.27Å; W172-S174 PolarHBondContact O-N 2.89Å
175E93.4Very high95.4Very high112 Ų11235.8 Ų35.852%0.52321%0.212SC..  trans-68.7124.8176.8-72.8-63.1156.400110.2K171 W172 G177 V179K171-E175 PolarHBondContact O-N 3.32Å; W172-E175 PolarHBondContact O-N 3.13Å; E175-G177 PolarHBondContact O-N 3.21Å; E175-V179 HydrophobicContact CB-CG2 3.91Å; E175-V179 HydrophobicContact CG-CG2 3.97Å
176P91.9Very high95.4Very high129 Ų12937.5 Ų37.584%0.83822%0.22SC*.SBendtrans-70.4-23.1178.828.1-34.2000112.3
177G95.6Very high95.4Very high28 Ų2837.8 Ų37.829%0.28923%0.225SC..SBendtrans-105.6-178.3-179.800000113.2E175E175-G177 PolarHBondContact O-N 3.21Å
178P97.2Very high95.5Very high66 Ų6635.7 Ų35.743%0.42921%0.21SC..  trans-70.3139.8174.530.7-33.9000111.2A520 H540P178-A520 HydrophobicContact CB-CB 3.49Å; P178-A520 VanDerWaalsContact CB-CB 3.49Å; P178-A520 HydrophobicContact CG-CB 4.31Å; P178-H540 HydrophobicContact CB-CB 4.22Å
179V98Very high95.6Very high13 Ų1335.4 Ų35.48%0.07921%0.209CC..EExtended strand (participates in β ladder)trans-89.8128.7175.4179.60000109.3W172 E175 V181 A184 L539 H540 V541 F543W172-V179 HydrophobicContact CB-CG2 4.14Å; W172-V179 HydrophobicContact CG-CG1 4.21Å; E175-V179 HydrophobicContact CB-CG2 3.91Å; E175-V179 HydrophobicContact CG-CG2 3.97Å; V179-V181 PolarHBondContact O-N 2.93Å; V179-V181 VanDerWaalsContact O-N 3.17Å; V179-A184 HydrophobicContact CG1-CB 3.87Å; V179-L539 VanDerWaalsContact O-O 3.06Å; V179-H540 WeakPolarHBondContact O-CA 3.4Å; V179-V541 PolarHBondContact N-O 3.1Å; V179-V541 PolarHBondContact O-N 3.23Å; V179-F543 HydrophobicContact CB-CD2 4.12Å; V179-F543 HydrophobicContact CB-CE2 4.13Å; V179-F543 HydrophobicContact CG2-CD2 4.09Å
180D98Very high95.7Very high39 Ų3935.3 Ų35.321%0.20921%0.209CC..EExtended strand (participates in β ladder)trans-75.599.2163.1-176.7-6.6000109.6Y182 V183 A184 G538 L539D180-Y182 PolarHBondContact O-N 3.4Å; D180-Y182 PolarHBondContact OD1-N 3.43Å; D180-V183 HydrophobicContact CB-CB 4.26Å; D180-V183 HydrophobicContact CB-CG2 4.34Å; D180-V183 PolarHBondContact O-N 2.92Å; D180-V183 WeakPolarHBondContact OD2-CG2 3.43Å; D180-A184 WeakPolarHBondContact O-CB 3.28Å; D180-A184 PolarHBondContact O-N 3.07Å; D180-G538 VanDerWaalsContact OD1-CA 3.29Å; D180-G538 WeakPolarHBondContact OD1-CA 3.43Å; D180-L539 PolarHBondContact OD1-N 2.79Å; D180-L539 VanDerWaalsContact OD1-N 3.14Å
181V98.3Very high95.7Very high1 Ų136.2 Ų36.21%0.00621%0.212CC..Hα-helixtrans-57.7-31.8-177.3176.60000111.9V179 A185 T306 I309 L539 V541 F543V179-V181 PolarHBondContact O-N 2.93Å; V179-V181 VanDerWaalsContact O-N 3.17Å; V181-A185 WeakPolarHBondContact O-CB 3.33Å; V181-A185 PolarHBondContact O-N 3.5Å; V181-T306 HydrophobicContact CG1-CG2 4.26Å; V181-I309 HydrophobicContact CG1-CB 4.09Å; V181-I309 HydrophobicContact CG1-CG1 4.01Å; V181-I309 HydrophobicContact CG1-CG2 4.28Å; V181-I309 HydrophobicContact CG2-CG2 4.29Å; V181-L539 HydrophobicContact CB-CB 4.15Å; V181-L539 HydrophobicContact CB-CD2 4.11Å; V181-L539 HydrophobicContact CB-CG 4.17Å; V181-L539 WeakPolarHBondContact CB-O 3.29Å; V181-L539 HydrophobicContact CG1-CD2 4.29Å; V181-L539 HydrophobicContact CG2-CD2 4.33Å; V181-L539 HydrophobicContact CG2-CG 4.24Å; V181-L539 WeakPolarHBondContact CG2-O 3.45Å; V181-L539 PolarHBondContact N-O 3.49Å; V181-V541 HydrophobicContact CG2-CB 3.94Å; V181-V541 HydrophobicContact CG2-CG2 3.68Å; V181-F543 HydrophobicContact CG2-CE2 3.84Å; V181-F543 HydrophobicContact CG2-CZ 3.89Å
182Y97.5Very high95.8Very high35 Ų3533.3 Ų33.314%0.13720%0.2CC..Hα-helixtrans-71.9-42.2-179.6-177.2-126.1000112D180 K186 T306 H534D180-Y182 PolarHBondContact O-N 3.4Å; D180-Y182 PolarHBondContact OD1-N 3.43Å; Y182-K186 HydrophobicContact CE1-CD 4.43Å; Y182-K186 HydrophobicContact CE2-CG 4.49Å; Y182-K186 WeakPolarHBondContact O-CG 3.26Å; Y182-K186 PolarHBondContact O-N 2.69Å; Y182-T306 WeakPolarHBondContact CA-OG1 3.43Å; Y182-T306 HydrophobicContact CD2-CG2 4.47Å; Y182-H534 HydrophobicContact CD1-CB 4.23Å; Y182-H534 HydrophobicContact CD2-CB 4.09Å; Y182-H534 HydrophobicContact CE1-CB 3.75Å; Y182-H534 AromaticContact CE1-CD2 3.94Å; Y182-H534 HydrophobicContact CE2-CB 3.62Å; Y182-H534 HydrophobicContact CG-CB 4.38Å; Y182-H534 VanDerWaalsContact CZ-CB 3.42Å; Y182-H534 AromaticContact CZ-CG 3.92Å
183V96.1Very high95.6Very high77 Ų7733 Ų3347%0.46720%0.199SC..Hα-helixtrans-65.3-44.2174.5172.30000110.5D180 K186 S187D180-V183 HydrophobicContact CB-CB 4.26Å; D180-V183 HydrophobicContact CB-CG2 4.34Å; D180-V183 PolarHBondContact O-N 2.92Å; D180-V183 WeakPolarHBondContact OD2-CG2 3.43Å; V183-K186 WeakPolarHBondContact O-CB 3.3Å; V183-K186 PolarHBondContact O-N 3.1Å; V183-S187 PolarHBondContact O-N 3.45Å
184A96.8Very high95.5Very high11 Ų1132.3 Ų32.39%0.09119%0.194CC..Hα-helixtrans-63.6-44.4177.900000112.2W172 V179 D180 K186 S187 L188W172-A184 HydrophobicContact CZ2-CB 3.86Å; V179-A184 HydrophobicContact CG1-CB 3.87Å; D180-A184 WeakPolarHBondContact O-CB 3.28Å; D180-A184 PolarHBondContact O-N 3.07Å; A184-K186 VanDerWaalsContact C-N 3.32Å; A184-K186 PolarHBondContact O-N 3.26Å; A184-S187 WeakPolarHBondContact O-CA 3.17Å; A184-S187 WeakPolarHBondContact O-CB 3.26Å; A184-S187 PolarHBondContact O-N 3.09Å; A184-L188 WeakPolarHBondContact O-CB 3.08Å; A184-L188 PolarHBondContact O-N 2.94Å
185A97.8Very high95.2Very high1 Ų133.4 Ų33.41%0.00819%0.187CC..Hα-helixtrans-62-37.2176.100000112.4V181 L188 T189 A302V181-A185 WeakPolarHBondContact O-CB 3.33Å; V181-A185 PolarHBondContact O-N 3.5Å; A185-L188 PolarHBondContact O-N 2.94Å; A185-T189 VanDerWaalsContact O-CG2 3.25Å; A185-T189 WeakPolarHBondContact O-CG2 3.34Å; A185-T189 PolarHBondContact O-N 2.64Å; A185-T189 PolarHBondContact O-OG1 3.3Å; A185-A302 HydrophobicContact CB-CB 4.08Å
186K96.2Very high95Very high37 Ų3728 Ų2816%0.16116%0.162CC..Hα-helixtrans-61.3-44.6170.8-78-171.5-62.8158.40111.6Y182 V183 A184 T189 F190 E215 H298 A302Y182-K186 HydrophobicContact CE1-CD 4.43Å; Y182-K186 HydrophobicContact CE2-CG 4.49Å; Y182-K186 WeakPolarHBondContact O-CG 3.26Å; Y182-K186 PolarHBondContact O-N 2.69Å; V183-K186 WeakPolarHBondContact O-CB 3.3Å; V183-K186 PolarHBondContact O-N 3.1Å; A184-K186 VanDerWaalsContact C-N 3.32Å; A184-K186 PolarHBondContact O-N 3.26Å; K186-T189 PolarHBondContact O-OG1 3.07Å; K186-F190 VanDerWaalsContact O-CB 3.31Å; K186-F190 WeakPolarHBondContact O-CB 3.38Å; K186-F190 PolarHBondContact O-N 3.27Å; K186-E215 IonicContact NZ-OE1 3.32Å; K186-E215 PolarHBondContact NZ-OE1 2.99Å; K186-H298 PolarHBondContact O-CE1 3.29Å; K186-H298 PolarHBondContact O-ND1 3.15Å; K186-A302 HydrophobicContact CB-CB 4.42Å; K186-A302 HydrophobicContact CG-CB 3.84Å
187S95.1Very high94.7Very high32 Ų3222 Ų2222%0.22412%0.123CC..Hα-helixtrans-61.6-46.7177.4-164.50000111.4V183 A184 F190 R191V183-S187 PolarHBondContact O-N 3.45Å; A184-S187 WeakPolarHBondContact O-CA 3.17Å; A184-S187 WeakPolarHBondContact O-CB 3.26Å; A184-S187 PolarHBondContact O-N 3.09Å; S187-F190 PolarHBondContact O-N 2.89Å; S187-R191 PolarHBondContact O-N 3.4Å; S187-R191 PolarHBondContact OG-NE 2.99Å; S187-R191 PolarHBondContact OG-NH2 2.69Å
188L96.3Very high94.2Very high1 Ų121 Ų211%0.00511%0.11CC..Hα-helixtrans-55.9-53.7175.8176.954.6000112I164 V165 E168 A184 A185 F190 R191 I192 L507I164-L188 HydrophobicContact CG2-CD1 3.77Å; V165-L188 HydrophobicContact CG2-CD1 4.25Å; E168-L188 HydrophobicContact CB-CD1 3.89Å; E168-L188 HydrophobicContact CG-CB 4.08Å; E168-L188 HydrophobicContact CG-CD1 4.07Å; E168-L188 HydrophobicContact CG-CD2 4.39Å; E168-L188 HydrophobicContact CG-CG 4.39Å; A184-L188 WeakPolarHBondContact O-CB 3.08Å; A184-L188 PolarHBondContact O-N 2.94Å; A185-L188 PolarHBondContact O-N 2.94Å; L188-F190 VanDerWaalsContact C-N 3.31Å; L188-F190 PolarHBondContact O-N 3.34Å; L188-R191 PolarHBondContact O-N 2.88Å; L188-I192 HydrophobicContact CD1-CD1 3.81Å; L188-I192 HydrophobicContact CD1-CG1 4.18Å; L188-I192 HydrophobicContact CG-CD1 3.96Å; L188-I192 WeakPolarHBondContact O-CG1 3.37Å; L188-I192 PolarHBondContact O-N 3.43Å; L188-L507 HydrophobicContact CD2-CD1 4.39Å
189T96.7Very high93.3Very high2 Ų218.9 Ų18.91%0.01210%0.101CC..Hα-helixtrans-69.6-32-175.561.10000112.2A185 K186 A193 H298 T301 A302A185-T189 VanDerWaalsContact O-CG2 3.25Å; A185-T189 WeakPolarHBondContact O-CG2 3.34Å; A185-T189 PolarHBondContact O-N 2.64Å; A185-T189 PolarHBondContact O-OG1 3.3Å; K186-T189 PolarHBondContact O-OG1 3.07Å; T189-A193 WeakPolarHBondContact O-CB 3.5Å; T189-A193 PolarHBondContact O-N 3.11Å; T189-H298 PolarHBondContact OG1-ND1 2.9Å; T189-H298 PolarHBondContact OG1-O 3.22Å; T189-T301 HydrophobicContact CG2-CG2 3.77Å; T189-A302 HydrophobicContact CG2-CB 4.23Å
190F95.6Very high92.2Very high1 Ų118.9 Ų18.90%0.00410%0.1CC..Hα-helixtrans-63.5-46.2171-170.5-94.7000111.4K186 S187 L188 I192 A193 V194 I207 L210 F214 I294K186-F190 VanDerWaalsContact O-CB 3.31Å; K186-F190 WeakPolarHBondContact O-CB 3.38Å; K186-F190 PolarHBondContact O-N 3.27Å; S187-F190 PolarHBondContact O-N 2.89Å; L188-F190 VanDerWaalsContact C-N 3.31Å; L188-F190 PolarHBondContact O-N 3.34Å; F190-I192 PolarHBondContact O-N 3.23Å; F190-A193 PolarHBondContact O-N 3.45Å; F190-V194 HydrophobicContact CD1-CG2 4.09Å; F190-V194 HydrophobicContact CE1-CG2 3.68Å; F190-V194 HydrophobicContact CE2-CG2 4.5Å; F190-V194 HydrophobicContact CZ-CG2 3.9Å; F190-V194 WeakPolarHBondContact O-CG2 3.49Å; F190-V194 PolarHBondContact O-N 3.05Å; F190-I207 HydrophobicContact CD1-CG2 3.91Å; F190-I207 HydrophobicContact CE1-CG2 3.97Å; F190-I207 WeakPolarHBondContact CE1-O 3.2Å; F190-L210 HydrophobicContact CE1-CB 4.1Å; F190-L210 HydrophobicContact CE1-CD2 4.36Å; F190-L210 HydrophobicContact CE1-CG 4.44Å; F190-L210 HydrophobicContact CZ-CB 3.88Å; F190-L210 HydrophobicContact CZ-CD2 3.88Å; F190-L210 HydrophobicContact CZ-CG 3.81Å; F190-F214 HydrophobicContact CD2-CB 4.32Å; F190-F214 HydrophobicContact CD2-CD1 4.14Å; F190-F214 HydrophobicContact CD2-CG 4.23Å; F190-F214 HydrophobicContact CE2-CB 3.56Å; F190-F214 HydrophobicContact CE2-CD1 4.09Å; F190-F214 HydrophobicContact CE2-CD2 4.34Å; F190-F214 AromaticContact CE2-CG 3.71Å; F190-F214 HydrophobicContact CE2-CG 3.71Å; F190-F214 HydrophobicContact CZ-CB 4.29Å; F190-I294 HydrophobicContact CD2-CG2 3.79Å; F190-I294 HydrophobicContact CE2-CG2 3.67Å
191R94.4Very high91.2Very high19 Ų1927.2 Ų27.27%0.07214%0.135CC..Hα-helixtrans-61.2-43.3176-81.9-174.3-114.9156.32.9112.3I164 E168 S187 L188 V194 R195 E204 I207I164-R191 HydrophobicContact CG2-CB 4.16Å; E168-R191 IonicContact OE1-NH2 2.9Å; E168-R191 IonicContact OE2-CZ 3.53Å; E168-R191 IonicContact OE2-NH1 3.18Å; E168-R191 PolarHBondContact OE2-NH1 3.04Å; E168-R191 IonicContact OE2-NH2 3.02Å; E168-R191 PolarHBondContact OE2-NH2 3.3Å; S187-R191 PolarHBondContact O-N 3.4Å; S187-R191 PolarHBondContact OG-NE 2.99Å; S187-R191 PolarHBondContact OG-NH2 2.69Å; L188-R191 PolarHBondContact O-N 2.88Å; R191-V194 PolarHBondContact O-N 3.24Å; R191-R195 WeakPolarHBondContact O-CB 3.43Å; R191-R195 PolarHBondContact O-N 3.22Å; R191-E204 WeakPolarHBondContact CD-OE1 3.33Å; R191-E204 IonicContact CZ-OE1 2.71Å; R191-E204 VanDerWaalsContact CZ-OE1 3.3Å; R191-E204 IonicContact NE-OE1 3.3Å; R191-E204 PolarHBondContact NE-OE1 3.2Å; R191-E204 IonicContact NH1-OE1 2.78Å; R191-E204 PolarHBondContact NH1-OE1 3.37Å; R191-I207 HydrophobicContact CG-CG2 3.8Å
192I94.2Very high90.3Very high3 Ų328.2 Ų28.22%0.01514%0.14CC..Hα-helixtrans-59.9-48.9174.4-68.3169.4000110.1L161 I164 V165 L188 F190 V194 V196 L197 I503L161-I192 HydrophobicContact CG-CD1 4.45Å; I164-I192 HydrophobicContact CB-CG1 4.41Å; I164-I192 HydrophobicContact CD1-CG1 4.45Å; I164-I192 HydrophobicContact CG2-CG1 3.88Å; V165-I192 HydrophobicContact CG2-CD1 4.38Å; L188-I192 HydrophobicContact CD1-CD1 3.81Å; L188-I192 HydrophobicContact CD1-CG1 4.18Å; L188-I192 HydrophobicContact CG-CD1 3.96Å; L188-I192 WeakPolarHBondContact O-CG1 3.37Å; L188-I192 PolarHBondContact O-N 3.43Å; F190-I192 PolarHBondContact O-N 3.23Å; I192-V194 VanDerWaalsContact C-N 3.34Å; I192-V194 PolarHBondContact O-N 3.01Å; I192-V196 HydrophobicContact CG2-CB 4.28Å; I192-V196 HydrophobicContact CG2-CG2 4.16Å; I192-V196 WeakPolarHBondContact O-CA 3.48Å; I192-V196 WeakPolarHBondContact O-CB 3.49Å; I192-V196 PolarHBondContact O-N 3.4Å; I192-L197 PolarHBondContact O-N 3.45Å; I192-I503 HydrophobicContact CD1-CD1 4.4Å; I192-I503 HydrophobicContact CD1-CG1 4.31Å; I192-I503 HydrophobicContact CD1-CG2 4.11Å; I192-I503 HydrophobicContact CG2-CD1 3.99Å; I192-I503 HydrophobicContact CG2-CG1 4.49Å
193A92.8Very high89.7Confident1 Ų133.6 Ų33.61%0.00817%0.166CC..Iπ-helixtrans-59.4-44.6179.500000112.2T189 F190 L197 L198 I294 A297T189-A193 WeakPolarHBondContact O-CB 3.5Å; T189-A193 PolarHBondContact O-N 3.11Å; F190-A193 PolarHBondContact O-N 3.45Å; A193-L197 HydrophobicContact CB-CD1 4.39Å; A193-L197 VanDerWaalsContact O-CB 3.27Å; A193-L197 WeakPolarHBondContact O-CB 3.03Å; A193-L197 PolarHBondContact O-N 2.9Å; A193-L198 PolarHBondContact O-N 3.04Å; A193-I294 HydrophobicContact CB-CB 4.45Å; A193-I294 HydrophobicContact CB-CG1 4.17Å; A193-I294 HydrophobicContact CB-CG2 4.47Å; A193-A297 HydrophobicContact CB-CB 4.26Å
194V90.2Very high89.3Confident0 Ų032.4 Ų32.40%016%0.155CC..Iπ-helixtrans-70.3-47.3-178.7169.80000112.2F190 R191 I192 L198 G199 L200 M202 I207 L210 I294F190-V194 HydrophobicContact CD1-CG2 4.09Å; F190-V194 HydrophobicContact CE1-CG2 3.68Å; F190-V194 HydrophobicContact CE2-CG2 4.5Å; F190-V194 HydrophobicContact CZ-CG2 3.9Å; F190-V194 WeakPolarHBondContact O-CG2 3.49Å; F190-V194 PolarHBondContact O-N 3.05Å; R191-V194 PolarHBondContact O-N 3.24Å; I192-V194 VanDerWaalsContact C-N 3.34Å; I192-V194 PolarHBondContact O-N 3.01Å; V194-L198 WeakPolarHBondContact O-CB 3.18Å; V194-G199 PolarHBondContact O-N 3.48Å; V194-L200 HydrophobicContact CG1-CB 3.77Å; V194-L200 HydrophobicContact CG1-CD1 3.97Å; V194-L200 HydrophobicContact CG1-CG 4.27Å; V194-L200 WeakPolarHBondContact O-CB 3.27Å; V194-L200 WeakPolarHBondContact O-CG 3.42Å; V194-L200 PolarHBondContact O-N 3.05Å; V194-M202 HydrophobicContact CG1-SD 4.16Å; V194-I207 HydrophobicContact CG1-CG1 4.46Å; V194-L210 HydrophobicContact CG2-CD2 4.43Å; V194-I294 HydrophobicContact CG2-CD1 4.35Å
195R88.4Confident88.9Confident93 Ų9338.1 Ų38.135%0.35118%0.178SC..Iπ-helixtrans-84.6-34.4-173.5-65.7-173-179.1-167.33.4113.6I164 R191 G199 E204 I207I164-R195 HydrophobicContact CD1-CB 3.81Å; R191-R195 WeakPolarHBondContact O-CB 3.43Å; R191-R195 PolarHBondContact O-N 3.22Å; R195-G199 WeakPolarHBondContact O-CA 3.36Å; R195-E204 IonicContact CZ-OE2 2.69Å; R195-E204 IonicContact NH2-OE2 2.57Å; R195-E204 PolarHBondContact NH2-OE2 2.9Å; R195-I207 HydrophobicContact CG-CD1 4.42Å
196V88.6Confident88.5Confident0 Ų043.1 Ų43.10%020%0.197CC..Iπ-helixtrans-95.1-50.1-175.6-176.50000111.4Y157 R160 L161 I164 I192 D265Y157-V196 VanDerWaalsContact CB-CG1 3.47Å; Y157-V196 HydrophobicContact CD1-CG1 4.01Å; Y157-V196 HydrophobicContact CD2-CG1 4.09Å; Y157-V196 HydrophobicContact CG-CG1 3.58Å; R160-V196 HydrophobicContact CB-CG2 4.36Å; L161-V196 HydrophobicContact CB-CG2 4.44Å; I164-V196 HydrophobicContact CD1-CG2 3.7Å; I192-V196 HydrophobicContact CG2-CB 4.28Å; I192-V196 HydrophobicContact CG2-CG2 4.16Å; I192-V196 WeakPolarHBondContact O-CA 3.48Å; I192-V196 WeakPolarHBondContact O-CB 3.49Å; I192-V196 PolarHBondContact O-N 3.4Å; V196-D265 WeakPolarHBondContact O-CB 3.44Å
197L86Confident88.2Confident2 Ų241.5 Ų41.51%0.0119%0.19CC..Iπ-helixtrans-77.3-52.1-179.2-55.2178.3000110.7F149 Y157 I192 A193 G199 A266 L293 A297 L499F149-L197 HydrophobicContact CE1-CD2 4.36Å; Y157-L197 HydrophobicContact CD2-CD2 4.44Å; Y157-L197 HydrophobicContact CE2-CD2 4.1Å; I192-L197 PolarHBondContact O-N 3.45Å; A193-L197 HydrophobicContact CB-CD1 4.39Å; A193-L197 VanDerWaalsContact O-CB 3.27Å; A193-L197 WeakPolarHBondContact O-CB 3.03Å; A193-L197 PolarHBondContact O-N 2.9Å; L197-G199 VanDerWaalsContact C-N 3.34Å; L197-A266 HydrophobicContact CB-CB 3.97Å; L197-A266 HydrophobicContact CD2-CB 4.28Å; L197-A266 WeakPolarHBondContact O-CA 3.14Å; L197-A266 WeakPolarHBondContact O-CB 3.45Å; L197-A266 PolarHBondContact O-N 3.04Å; L197-L293 HydrophobicContact CD1-CB 4.48Å; L197-A297 HydrophobicContact CD1-CB 4.06Å; L197-L499 HydrophobicContact CD1-CD2 4.03Å; L197-L499 HydrophobicContact CD2-CD2 3.65Å; L197-L499 HydrophobicContact CG-CD2 4.28Å
198L83.3Confident88Confident6 Ų643 Ų433%0.03120%0.198CC..SBendtrans-84.2-12-176.9-57.8-175.9000113.5A193 V194 L200 M247 A290 L293 I294A193-L198 PolarHBondContact O-N 3.04Å; V194-L198 WeakPolarHBondContact O-CB 3.18Å; L198-L200 VanDerWaalsContact C-N 3.27Å; L198-L200 HydrophobicContact CB-CD1 3.63Å; L198-L200 HydrophobicContact CB-CD2 4.1Å; L198-L200 HydrophobicContact CB-CG 3.5Å; L198-L200 VanDerWaalsContact CB-CG 3.5Å; L198-L200 HydrophobicContact CD1-CD1 3.8Å; L198-L200 HydrophobicContact CG-CD1 4.4Å; L198-L200 VanDerWaalsContact O-CD2 3.24Å; L198-L200 WeakPolarHBondContact O-CD2 3.42Å; L198-L200 PolarHBondContact O-N 3.38Å; L198-M247 HydrophobicContact CD1-SD 3.77Å; L198-A290 HydrophobicContact CD1-CB 4.29Å; L198-A290 HydrophobicContact CD2-CB 3.74Å; L198-L293 HydrophobicContact CD2-CD1 4.27Å; L198-I294 HydrophobicContact CD1-CD1 3.62Å; L198-I294 HydrophobicContact CD1-CG1 3.85Å
199G79.1Confident87.8Confident22 Ų2249 Ų4923%0.22722%0.221CC..  trans68.822.7179.500000114.6V194 R195 L197 K201 D265V194-G199 PolarHBondContact O-N 3.48Å; R195-G199 WeakPolarHBondContact O-CA 3.36Å; L197-G199 VanDerWaalsContact C-N 3.34Å; G199-K201 PolarHBondContact O-N 3.27Å; G199-D265 VanDerWaalsContact CA-OD2 3.26Å; G199-D265 WeakPolarHBondContact CA-OD2 3.17Å
200L75.9Confident87.6Confident13 Ų1349 Ų497%0.06822%0.221CC..  trans-84.5113.3-168.2-51.7-179.2000111V194 L198 M202 M247 I250V194-L200 HydrophobicContact CG1-CB 3.77Å; V194-L200 HydrophobicContact CG1-CD1 3.97Å; V194-L200 HydrophobicContact CG1-CG 4.27Å; V194-L200 WeakPolarHBondContact O-CB 3.27Å; V194-L200 WeakPolarHBondContact O-CG 3.42Å; V194-L200 PolarHBondContact O-N 3.05Å; L198-L200 VanDerWaalsContact C-N 3.27Å; L198-L200 HydrophobicContact CB-CD1 3.63Å; L198-L200 HydrophobicContact CB-CD2 4.1Å; L198-L200 HydrophobicContact CB-CG 3.5Å; L198-L200 VanDerWaalsContact CB-CG 3.5Å; L198-L200 HydrophobicContact CD1-CD1 3.8Å; L198-L200 HydrophobicContact CG-CD1 4.4Å; L198-L200 VanDerWaalsContact O-CD2 3.24Å; L198-L200 WeakPolarHBondContact O-CD2 3.42Å; L198-L200 PolarHBondContact O-N 3.38Å; L200-M202 HydrophobicContact CB-CG 3.95Å; L200-M202 HydrophobicContact CB-SD 3.81Å; L200-M202 HydrophobicContact CD1-SD 4.05Å; L200-M202 PolarHBondContact O-N 2.96Å; L200-M247 HydrophobicContact CD1-CE 4.05Å; L200-M247 HydrophobicContact CD1-SD 4.4Å; L200-I250 HydrophobicContact CD1-CD1 3.65Å; L200-I250 HydrophobicContact CD1-CG2 4.25Å; L200-I250 HydrophobicContact CD2-CB 4.25Å; L200-I250 HydrophobicContact CD2-CD1 4.05Å; L200-I250 HydrophobicContact CD2-CG1 4.36Å; L200-I250 HydrophobicContact CD2-CG2 3.04Å; L200-I250 HydrophobicContact CG-CD1 4.3Å; L200-I250 HydrophobicContact CG-CG2 4.22Å
201K75.8Confident87.5Confident214 Ų21449.7 Ų49.793%0.9323%0.226SC*.  trans-81.5101.2166.7-63.4-174.6-178.5-177.50107.9G199G199-K201 PolarHBondContact O-N 3.27Å
202M79.2Confident87.5Confident22 Ų2255.3 Ų55.311%0.10825%0.251CS..  trans-135.9144.2-178-62176.371.900109.7V194 L200 R206 I207 I250V194-M202 HydrophobicContact CG1-SD 4.16Å; L200-M202 HydrophobicContact CB-CG 3.95Å; L200-M202 HydrophobicContact CB-SD 3.81Å; L200-M202 HydrophobicContact CD1-SD 4.05Å; L200-M202 PolarHBondContact O-N 2.96Å; M202-R206 HydrophobicContact CE-CB 4.18Å; M202-R206 HydrophobicContact CE-CG 3.53Å; M202-I207 HydrophobicContact CB-CD1 4.34Å; M202-I207 HydrophobicContact CB-CG1 3.97Å; M202-I250 HydrophobicContact CE-CD1 4.33Å; M202-I250 HydrophobicContact SD-CD1 3.85Å
203E85.9Confident87.6Confident149 Ų14955.9 Ų55.970%0.69625%0.254SS*.  trans-58.6147.7170.6-67.7171.5-16300111.6K205 R206 I207E203-K205 VanDerWaalsContact C-N 3.32Å; E203-K205 PolarHBondContact O-N 3.49Å; E203-R206 WeakPolarHBondContact O-CB 3.37Å; E203-R206 PolarHBondContact O-N 2.9Å; E203-I207 PolarHBondContact O-N 2.88Å; E203-I207 VanDerWaalsContact O-N 3.15Å
204E86.8Confident87.7Confident51 Ų5155.8 Ų55.824%0.23825%0.253CS..Hα-helixtrans-60.8-40.1-175.1-166.469.2176.700112.2K171 R191 R195 R206 I207 V208K171-E204 IonicContact NZ-OE1 3.89Å; K171-E204 PolarHBondContact NZ-OE1 3.08Å; R191-E204 WeakPolarHBondContact CD-OE1 3.33Å; R191-E204 IonicContact CZ-OE1 2.71Å; R191-E204 VanDerWaalsContact CZ-OE1 3.3Å; R191-E204 IonicContact NE-OE1 3.3Å; R191-E204 PolarHBondContact NE-OE1 3.2Å; R191-E204 IonicContact NH1-OE1 2.78Å; R191-E204 PolarHBondContact NH1-OE1 3.37Å; R195-E204 IonicContact CZ-OE2 2.69Å; R195-E204 IonicContact NH2-OE2 2.57Å; R195-E204 PolarHBondContact NH2-OE2 2.9Å; E204-R206 PolarHBondContact O-N 2.79Å; E204-I207 PolarHBondContact O-N 2.96Å; E204-I207 VanDerWaalsContact O-N 3.11Å; E204-V208 WeakPolarHBondContact O-CG2 3.41Å; E204-V208 PolarHBondContact O-N 3.28Å
205K89.2Confident87.9Confident131 Ų13158.6 Ų58.657%0.5727%0.267SS*.Hα-helixtrans-54.8-40.2176.1-67.9174.2-176.2165.10111.6E203 Y209 D381E203-K205 VanDerWaalsContact C-N 3.32Å; E203-K205 PolarHBondContact O-N 3.49Å; K205-Y209 PolarHBondContact O-N 3.22Å; K205-Y209 VanDerWaalsContact O-N 3.11Å; K205-D381 IonicContact NZ-OD2 3.5Å
206R89Confident88.2Confident107 Ų10757.4 Ų57.440%0.40427%0.265SS..Hα-helixtrans-74.3-36.4179.9-161174.7-179.5-165.70112.2M202 E203 E204 Y209 L210M202-R206 HydrophobicContact CE-CB 4.18Å; M202-R206 HydrophobicContact CE-CG 3.53Å; E203-R206 WeakPolarHBondContact O-CB 3.37Å; E203-R206 PolarHBondContact O-N 2.9Å; E204-R206 PolarHBondContact O-N 2.79Å; R206-Y209 PolarHBondContact O-N 3.47Å; R206-L210 WeakPolarHBondContact O-CB 3.46Å; R206-L210 PolarHBondContact O-N 3.37Å
207I89.8Confident88.5Confident2 Ų257.4 Ų57.41%0.0127%0.265CS..Hα-helixtrans-63.3-45.6174.1-65.3176.3000110.4F190 R191 V194 R195 M202 E203 E204 Y209 L210 S211F190-I207 HydrophobicContact CD1-CG2 3.91Å; F190-I207 HydrophobicContact CE1-CG2 3.97Å; F190-I207 WeakPolarHBondContact CE1-O 3.2Å; R191-I207 HydrophobicContact CG-CG2 3.8Å; V194-I207 HydrophobicContact CG1-CG1 4.46Å; R195-I207 HydrophobicContact CG-CD1 4.42Å; M202-I207 HydrophobicContact CB-CD1 4.34Å; M202-I207 HydrophobicContact CB-CG1 3.97Å; E203-I207 PolarHBondContact O-N 2.88Å; E203-I207 VanDerWaalsContact O-N 3.15Å; E204-I207 PolarHBondContact O-N 2.96Å; E204-I207 VanDerWaalsContact O-N 3.11Å; I207-Y209 VanDerWaalsContact C-N 3.33Å; I207-Y209 PolarHBondContact O-N 2.84Å; I207-L210 PolarHBondContact O-N 3.01Å; I207-S211 WeakPolarHBondContact O-CB 3.29Å; I207-S211 PolarHBondContact O-N 2.63Å
208V90.6Very high88.9Confident64 Ų6459 Ų5939%0.38827%0.273SS..Hα-helixtrans-60.7-43.2177.3172.30000111E204 S211 K212E204-V208 WeakPolarHBondContact O-CG2 3.41Å; E204-V208 PolarHBondContact O-N 3.28Å; V208-S211 WeakPolarHBondContact O-CB 3.39Å; V208-S211 PolarHBondContact O-N 3.39Å; V208-K212 PolarHBondContact O-N 2.94Å; V208-K212 VanDerWaalsContact O-N 3.16Å
209Y92.1Very high89.3Confident126 Ų12665.1 Ų65.149%0.49431%0.306SS..Hα-helixtrans-60.1-48.3174173.6-102.1000112K205 R206 I207 S211 K212 I213 I242K205-Y209 PolarHBondContact O-N 3.22Å; K205-Y209 VanDerWaalsContact O-N 3.11Å; R206-Y209 PolarHBondContact O-N 3.47Å; I207-Y209 VanDerWaalsContact C-N 3.33Å; I207-Y209 PolarHBondContact O-N 2.84Å; Y209-S211 VanDerWaalsContact C-N 3.27Å; Y209-S211 PolarHBondContact O-N 2.85Å; Y209-K212 WeakPolarHBondContact O-CB 3.34Å; Y209-K212 PolarHBondContact O-N 3.44Å; Y209-K212 VanDerWaalsContact O-N 3.16Å; Y209-I213 HydrophobicContact CD1-CG1 4.41Å; Y209-I213 HydrophobicContact CE1-CG1 3.92Å; Y209-I213 HydrophobicContact CE2-CD1 4.09Å; Y209-I213 HydrophobicContact CE2-CG1 4.16Å; Y209-I213 PolarHBondContact O-N 3.38Å; Y209-I213 VanDerWaalsContact O-N 3.14Å; Y209-I242 HydrophobicContact CE1-CG2 4.49Å
210L92.6Very high90Very high3 Ų365.1 Ų65.12%0.01630%0.3CS..Hα-helixtrans-62.4-37.1-179.9-162.172.5000111.8F190 V194 R206 I207 I213 F214 L243 C246 M247F190-L210 HydrophobicContact CE1-CB 4.1Å; F190-L210 HydrophobicContact CE1-CD2 4.36Å; F190-L210 HydrophobicContact CE1-CG 4.44Å; F190-L210 HydrophobicContact CZ-CB 3.88Å; F190-L210 HydrophobicContact CZ-CD2 3.88Å; F190-L210 HydrophobicContact CZ-CG 3.81Å; V194-L210 HydrophobicContact CG2-CD2 4.43Å; R206-L210 WeakPolarHBondContact O-CB 3.46Å; R206-L210 PolarHBondContact O-N 3.37Å; I207-L210 PolarHBondContact O-N 3.01Å; L210-I213 PolarHBondContact O-N 2.87Å; L210-F214 WeakPolarHBondContact O-CB 3.48Å; L210-F214 PolarHBondContact O-N 3.45Å; L210-L243 HydrophobicContact CD1-CD2 3.44Å; L210-L243 VanDerWaalsContact CD1-CD2 3.44Å; L210-L243 HydrophobicContact CG-CD2 3.82Å; L210-C246 HydrophobicContact CD1-CB 4.18Å; L210-M247 HydrophobicContact CD2-CE 4Å
211S93.8Very high90.8Very high16 Ų1664.5 Ų64.511%0.11230%0.297CS..Hα-helixtrans-59.8-44.5174.7-176.80000111.4I207 V208 Y209 I213 F214 E215I207-S211 WeakPolarHBondContact O-CB 3.29Å; I207-S211 PolarHBondContact O-N 2.63Å; V208-S211 WeakPolarHBondContact O-CB 3.39Å; V208-S211 PolarHBondContact O-N 3.39Å; Y209-S211 VanDerWaalsContact C-N 3.27Å; Y209-S211 PolarHBondContact O-N 2.85Å; S211-I213 PolarHBondContact O-N 2.9Å; S211-F214 WeakPolarHBondContact O-CB 3.41Å; S211-F214 PolarHBondContact O-N 3.36Å; S211-F214 VanDerWaalsContact O-N 3.17Å; S211-E215 WeakPolarHBondContact O-CG 3.44Å; S211-E215 PolarHBondContact O-N 2.92Å
212K94.6Very high91.4Very high137 Ų13760.2 Ų60.260%0.59628%0.279SS*.Hα-helixtrans-62.2-42.6175.9-68.5176.1-179.3179.40112.6V208 Y209 F214 E215 Q216V208-K212 PolarHBondContact O-N 2.94Å; V208-K212 VanDerWaalsContact O-N 3.16Å; Y209-K212 WeakPolarHBondContact O-CB 3.34Å; Y209-K212 PolarHBondContact O-N 3.44Å; Y209-K212 VanDerWaalsContact O-N 3.16Å; K212-F214 VanDerWaalsContact C-N 3.3Å; K212-F214 PolarHBondContact O-N 2.91Å; K212-E215 PolarHBondContact O-N 3.08Å; K212-Q216 PolarHBondContact O-N 3.34Å
213I96.1Very high92Very high14 Ų1460.2 Ų60.27%0.07228%0.281CS..Hα-helixtrans-64.4-39.7175.2-59.4-58.7000110.6Y209 L210 S211 Q216 L217 A239 I242 L243Y209-I213 HydrophobicContact CD1-CG1 4.41Å; Y209-I213 HydrophobicContact CE1-CG1 3.92Å; Y209-I213 HydrophobicContact CE2-CD1 4.09Å; Y209-I213 HydrophobicContact CE2-CG1 4.16Å; Y209-I213 PolarHBondContact O-N 3.38Å; Y209-I213 VanDerWaalsContact O-N 3.14Å; L210-I213 PolarHBondContact O-N 2.87Å; S211-I213 PolarHBondContact O-N 2.9Å; I213-Q216 WeakPolarHBondContact O-CB 3.44Å; I213-Q216 PolarHBondContact O-N 3.39Å; I213-L217 PolarHBondContact O-N 3.31Å; I213-A239 HydrophobicContact CG2-CB 4.08Å; I213-I242 HydrophobicContact CD1-CD1 4.28Å; I213-I242 HydrophobicContact CG1-CG2 4.25Å; I213-I242 HydrophobicContact CG2-CB 4.09Å; I213-I242 HydrophobicContact CG2-CG2 4.04Å; I213-L243 HydrophobicContact CB-CD2 4.42Å; I213-L243 HydrophobicContact CG2-CD2 4.06Å; I213-L243 HydrophobicContact CG2-CG 3.9Å
214F95.3Very high92.2Very high0 Ų059.3 Ų59.30%028%0.28CS..Hα-helixtrans-64.5-42.4176.8-172.3-95.3000112.1F190 L210 S211 K212 Q216 L217 M218 L243 I294 F295 H298F190-F214 HydrophobicContact CD2-CB 4.32Å; F190-F214 HydrophobicContact CD2-CD1 4.14Å; F190-F214 HydrophobicContact CD2-CG 4.23Å; F190-F214 HydrophobicContact CE2-CB 3.56Å; F190-F214 HydrophobicContact CE2-CD1 4.09Å; F190-F214 HydrophobicContact CE2-CD2 4.34Å; F190-F214 AromaticContact CE2-CG 3.71Å; F190-F214 HydrophobicContact CE2-CG 3.71Å; F190-F214 HydrophobicContact CZ-CB 4.29Å; L210-F214 WeakPolarHBondContact O-CB 3.48Å; L210-F214 PolarHBondContact O-N 3.45Å; S211-F214 WeakPolarHBondContact O-CB 3.41Å; S211-F214 PolarHBondContact O-N 3.36Å; S211-F214 VanDerWaalsContact O-N 3.17Å; K212-F214 VanDerWaalsContact C-N 3.3Å; K212-F214 PolarHBondContact O-N 2.91Å; F214-Q216 VanDerWaalsContact C-N 3.29Å; F214-Q216 PolarHBondContact O-N 3.2Å; F214-L217 HydrophobicContact CE2-CD2 4.36Å; F214-L217 WeakPolarHBondContact O-CA 3.32Å; F214-L217 WeakPolarHBondContact O-CB 3.48Å; F214-L217 PolarHBondContact O-N 3.03Å; F214-L217 VanDerWaalsContact O-N 3.08Å; F214-M218 HydrophobicContact CD1-CG 3.94Å; F214-M218 HydrophobicContact CE1-CG 3.39Å; F214-M218 HydrophobicContact CE1-SD 3.79Å; F214-M218 HydrophobicContact CZ-CG 3.84Å; F214-M218 HydrophobicContact CZ-SD 3.72Å; F214-M218 WeakPolarHBondContact O-CG 3.26Å; F214-M218 PolarHBondContact O-N 2.98Å; F214-L243 HydrophobicContact CD2-CD1 4.03Å; F214-I294 HydrophobicContact CD1-CG2 4.2Å; F214-I294 HydrophobicContact CD2-CG2 3.76Å; F214-I294 HydrophobicContact CE1-CG2 4.07Å; F214-I294 HydrophobicContact CE2-CB 4.11Å; F214-I294 HydrophobicContact CE2-CG2 3.62Å; F214-I294 HydrophobicContact CG-CG2 4.09Å; F214-I294 HydrophobicContact CZ-CG2 3.84Å; F214-F295 HydrophobicContact CE2-CB 4.4Å; F214-F295 HydrophobicContact CZ-CB 4.03Å; F214-H298 AromaticContact CD1-CD2 3.86Å; F214-H298 HydrophobicContact CE1-CB 4.02Å; F214-H298 AromaticContact CE1-CD2 3.53Å; F214-H298 AromaticContact CE1-CG 3.92Å
215E93.8Very high92.4Very high59 Ų5959.9 Ų59.928%0.27629%0.288SS..Hα-helixtrans-60.9-38.7172.5-72.2-167.6153.500112K186 S211 K212 L217 M218 N219K186-E215 IonicContact NZ-OE1 3.32Å; K186-E215 PolarHBondContact NZ-OE1 2.99Å; S211-E215 WeakPolarHBondContact O-CG 3.44Å; S211-E215 PolarHBondContact O-N 2.92Å; K212-E215 PolarHBondContact O-N 3.08Å; E215-L217 VanDerWaalsContact C-N 3.31Å; E215-L217 PolarHBondContact O-N 3.41Å; E215-M218 PolarHBondContact O-N 2.98Å; E215-N219 WeakPolarHBondContact O-CB 3.41Å; E215-N219 PolarHBondContact O-N 3.27Å; E215-N219 PolarHBondContact O-ND2 2.74Å
216Q94.8Very high92.6Very high68 Ų6858.4 Ų58.432%0.31829%0.285SS..Hα-helixtrans-61.3-39.7172.7-175177.6-4.900111.7K212 I213 F214 N220 A239K212-Q216 PolarHBondContact O-N 3.34Å; I213-Q216 WeakPolarHBondContact O-CB 3.44Å; I213-Q216 PolarHBondContact O-N 3.39Å; F214-Q216 VanDerWaalsContact C-N 3.29Å; F214-Q216 PolarHBondContact O-N 3.2Å; Q216-N220 PolarHBondContact O-ND2 2.99Å; Q216-A239 HydrophobicContact CB-CB 4.26Å; Q216-A239 HydrophobicContact CG-CB 4.18Å
217L95.7Very high92.9Very high0 Ų057.3 Ų57.30%029%0.287CS..Hα-helixtrans-60.9-50.2172.7-179.4146.1000110.8I124 L125 I213 F214 E215 N219 N220 L221 A239 R240 L243 V291I124-L217 HydrophobicContact CG2-CD1 3.91Å; I124-L217 HydrophobicContact CG2-CD2 4.17Å; I124-L217 HydrophobicContact CG2-CG 3.66Å; L125-L217 HydrophobicContact CD2-CD2 4.29Å; I213-L217 PolarHBondContact O-N 3.31Å; F214-L217 HydrophobicContact CE2-CD2 4.36Å; F214-L217 WeakPolarHBondContact O-CA 3.32Å; F214-L217 WeakPolarHBondContact O-CB 3.48Å; F214-L217 PolarHBondContact O-N 3.03Å; F214-L217 VanDerWaalsContact O-N 3.08Å; E215-L217 VanDerWaalsContact C-N 3.31Å; E215-L217 PolarHBondContact O-N 3.41Å; L217-N219 PolarHBondContact O-N 3.1Å; L217-N220 PolarHBondContact O-N 3.15Å; L217-N220 VanDerWaalsContact O-N 3.15Å; L217-L221 HydrophobicContact CD2-CD1 4.48Å; L217-L221 HydrophobicContact CD2-CD2 4.01Å; L217-L221 HydrophobicContact CD2-CG 4.31Å; L217-L221 PolarHBondContact O-N 3.28Å; L217-A239 HydrophobicContact CB-CB 3.94Å; L217-R240 HydrophobicContact CD1-CB 3.96Å; L217-L243 HydrophobicContact CB-CD1 4.31Å; L217-L243 HydrophobicContact CD1-CD1 3.66Å; L217-V291 HydrophobicContact CD1-CG1 4.34Å
218M93.1Very high93.1Very high36 Ų3658.8 Ų58.818%0.17730%0.3CS..Hα-helixtrans-58.1-47.6-178.5-72.2-59.9-62.400113F214 E215 N220 L221 F295 S299F214-M218 HydrophobicContact CD1-CG 3.94Å; F214-M218 HydrophobicContact CE1-CG 3.39Å; F214-M218 HydrophobicContact CE1-SD 3.79Å; F214-M218 HydrophobicContact CZ-CG 3.84Å; F214-M218 HydrophobicContact CZ-SD 3.72Å; F214-M218 WeakPolarHBondContact O-CG 3.26Å; F214-M218 PolarHBondContact O-N 2.98Å; E215-M218 PolarHBondContact O-N 2.98Å; M218-N220 PolarHBondContact O-N 3.46Å; M218-L221 HydrophobicContact CE-CD1 4Å; M218-L221 PolarHBondContact O-N 2.94Å; M218-L221 HydrophobicContact SD-CD1 3.64Å; M218-F295 HydrophobicContact CE-CD2 4.06Å; M218-F295 HydrophobicContact CE-CE2 3.86Å; M218-F295 HydrophobicContact SD-CD2 3.43Å; M218-F295 WeakPolarHBondContact SD-CD2 3.38Å; M218-F295 HydrophobicContact SD-CE2 3.77Å; M218-S299 WeakPolarHBondContact CE-OG 3.13Å
219N91.9Very high93.2Very high134 Ų13461 Ų6172%0.71732%0.316SS*.Hα-helixtrans-62.8-15.3-178.4-71.4-22.5000113.2E215 L217E215-N219 WeakPolarHBondContact O-CB 3.41Å; E215-N219 PolarHBondContact O-N 3.27Å; E215-N219 PolarHBondContact O-ND2 2.74Å; L217-N219 PolarHBondContact O-N 3.1Å
220N95Very high93.1Very high21 Ų2162.3 Ų62.311%0.11233%0.328CS..Hα-helixtrans-110.2-2.7-177.3-71.9-68.2000114.2I124 Q216 L217 M218 F222 S223 G232I124-N220 HydrophobicContact CD1-CB 4.31Å; I124-N220 WeakPolarHBondContact CD1-O 3.01Å; Q216-N220 PolarHBondContact O-ND2 2.99Å; L217-N220 PolarHBondContact O-N 3.15Å; L217-N220 VanDerWaalsContact O-N 3.15Å; M218-N220 PolarHBondContact O-N 3.46Å; N220-F222 PolarHBondContact O-N 2.89Å; N220-S223 VanDerWaalsContact O-CB 3.29Å; N220-S223 WeakPolarHBondContact O-CB 3.5Å; N220-S223 PolarHBondContact O-N 3.21Å; N220-S223 VanDerWaalsContact O-N 3.14Å; N220-S223 PolarHBondContact O-OG 3.45Å; N220-G232 VanDerWaalsContact CB-O 3.24Å; N220-G232 WeakPolarHBondContact CB-O 3.31Å; N220-G232 WeakPolarHBondContact OD1-CA 3.24Å; N220-G232 PolarHBondContact OD1-O 3.41Å; N220-G232 VanDerWaalsContact OD1-O 3.1Å
221L91.7Very high93.2Very high1 Ų163.2 Ų63.21%0.00534%0.335CS..THydrogen-bonded Turntrans-59.6-31.4-178.6-73177.2000113.9S120 T121 I124 L125 L217 M218 F295S120-L221 CarbonylContact C-O 3.51Å; S120-L221 PolarHBondContact OG-O 3.05Å; S120-L221 VanDerWaalsContact OG-O 3.07Å; T121-L221 WeakPolarHBondContact CA-O 3.33Å; T121-L221 HydrophobicContact CG2-CD2 4.26Å; T121-L221 PolarHBondContact N-O 3.02Å; T121-L221 PolarHBondContact OG1-O 3.1Å; I124-L221 HydrophobicContact CB-CD2 3.93Å; I124-L221 HydrophobicContact CG2-CD2 3.6Å; L125-L221 HydrophobicContact CD2-CD2 3.94Å; L125-L221 HydrophobicContact CG-CD2 3.93Å; L217-L221 HydrophobicContact CD2-CD1 4.48Å; L217-L221 HydrophobicContact CD2-CD2 4.01Å; L217-L221 HydrophobicContact CD2-CG 4.31Å; L217-L221 PolarHBondContact O-N 3.28Å; M218-L221 HydrophobicContact CE-CD1 4Å; M218-L221 PolarHBondContact O-N 2.94Å; M218-L221 HydrophobicContact SD-CD1 3.64Å; L221-F295 HydrophobicContact CD1-CD2 3.88Å; L221-F295 HydrophobicContact CD1-CE2 3.33Å; L221-F295 HydrophobicContact CD1-CZ 4.23Å
222F89Confident93.3Very high124 Ų12463.5 Ų63.554%0.54434%0.34SS..THydrogen-bonded Turntrans-105.419.1-178.8-62.7-84.3000112.9W117 P118 N220W117-F222 HydrophobicContact CZ3-CE1 4.5Å; W117-F222 HydrophobicContact CZ3-CZ 4.19Å; P118-F222 HydrophobicContact CG-CD1 3.73Å; P118-F222 HydrophobicContact CG-CE1 3.95Å; N220-F222 PolarHBondContact O-N 2.89Å
223S91.7Very high93.4Very high22 Ų2257.2 Ų57.215%0.15431%0.313CS..SBendtrans-68.7165.4177.360.30000112.7S120 N220 L233S120-S223 WeakPolarHBondContact CB-O 3.39Å; S120-S223 PolarHBondContact OG-O 3.21Å; N220-S223 VanDerWaalsContact O-CB 3.29Å; N220-S223 WeakPolarHBondContact O-CB 3.5Å; N220-S223 PolarHBondContact O-N 3.21Å; N220-S223 VanDerWaalsContact O-N 3.14Å; N220-S223 PolarHBondContact O-OG 3.45Å; S223-L233 PolarHBondContact OG-N 3.42Å; S223-L233 VanDerWaalsContact OG-N 3.16Å
224L90.4Very high93.4Very high130 Ų13061.5 Ų61.568%0.68133%0.329SS*.  trans-62.6142.3171.2-66.6176.4000110.3I226L224-I226 HydrophobicContact CB-CD1 4.32Å; L224-I226 HydrophobicContact CB-CG1 4.37Å; L224-I226 HydrophobicContact CD1-CD1 4.42Å; L224-I226 PolarHBondContact O-N 3.04Å
225P91.1Very high93.5Very high62 Ų6265.6 Ų65.640%0.40335%0.346SS..SBendtrans-79.149.6-176.835.3-37.5000112.2Q119Q119-P225 HydrophobicContact CB-CB 4Å; Q119-P225 HydrophobicContact CG-CB 4Å
226I93.1Very high93.7Very high100 Ų10062.8 Ų62.851%0.51333%0.333SS..  trans-116.1113.9-178.6-58.2172.6000107.6L224 A228 S231L224-I226 HydrophobicContact CB-CD1 4.32Å; L224-I226 HydrophobicContact CB-CG1 4.37Å; L224-I226 HydrophobicContact CD1-CD1 4.42Å; L224-I226 PolarHBondContact O-N 3.04Å; I226-A228 HydrophobicContact CG2-CB 4.15Å; I226-A228 PolarHBondContact O-N 3.43Å; I226-S231 WeakPolarHBondContact O-CB 3.45Å; I226-S231 PolarHBondContact O-OG 3.37Å
227D94.3Very high93.7Very high84 Ų8460.6 Ų60.645%0.44932%0.323SS..  trans-90.189.2178.9-171.933.6000110.7L233 R234D227-L233 HydrophobicContact CB-CD2 4.1Å; D227-R234 IonicContact OD1-CZ 2.69Å; D227-R234 IonicContact OD1-NE 3.52Å; D227-R234 PolarHBondContact OD1-NE 3.49Å; D227-R234 IonicContact OD1-NH2 2.87Å; D227-R234 PolarHBondContact OD1-NH2 3.41Å; D227-R234 VanDerWaalsContact OD1-NH2 3.13Å; D227-R234 IonicContact OD2-CZ 3.42Å; D227-R234 IonicContact OD2-NE 3.12Å; D227-R234 IonicContact OD2-NH2 2.68Å; D227-R234 PolarHBondContact OD2-NH2 3.35Å
228A94.3Very high93.8Very high33 Ų3366.7 Ų66.727%0.27335%0.35SS..  trans-134.4159.7-177.900000110.3I226 M230 S231 R234I226-A228 HydrophobicContact CG2-CB 4.15Å; I226-A228 PolarHBondContact O-N 3.43Å; A228-M230 PolarHBondContact O-N 3.35Å; A228-S231 PolarHBondContact N-OG 3.4Å; A228-S231 VanDerWaalsContact O-CB 3.29Å; A228-S231 WeakPolarHBondContact O-CB 3.49Å; A228-S231 PolarHBondContact O-N 3.3Å; A228-S231 PolarHBondContact O-OG 3.44Å; A228-R234 VanDerWaalsContact O-CB 3.3Å; A228-R234 WeakPolarHBondContact O-CB 3.46Å
229P92.3Very high94Very high111 Ų11165 Ų6572%0.72134%0.341SS*.THydrogen-bonded Turntrans-50.8134.8171.7-24.834.6000110.8S231P229-S231 PolarHBondContact O-N 3.16Å; P229-S231 VanDerWaalsContact O-N 3.1Å
230M90.9Very high94.2Very high153 Ų15360.6 Ų60.675%0.75432%0.315SS*.THydrogen-bonded Turntrans66.4-2.8-177.1-55.2-63.2-79.900116.9A228 K235A228-M230 PolarHBondContact O-N 3.35Å; M230-K235 WeakPolarHBondContact O-CE 3.32Å
231S95.5Very high94.3Very high23 Ų2364.6 Ų64.616%0.16133%0.333CS..  trans-65.3152.817788.10000111.7I226 A228 P229 L233 R234 K235I226-S231 WeakPolarHBondContact O-CB 3.45Å; I226-S231 PolarHBondContact O-OG 3.37Å; A228-S231 PolarHBondContact N-OG 3.4Å; A228-S231 VanDerWaalsContact O-CB 3.29Å; A228-S231 WeakPolarHBondContact O-CB 3.49Å; A228-S231 PolarHBondContact O-N 3.3Å; A228-S231 PolarHBondContact O-OG 3.44Å; P229-S231 PolarHBondContact O-N 3.16Å; P229-S231 VanDerWaalsContact O-N 3.1Å; S231-L233 VanDerWaalsContact C-N 3.28Å; S231-L233 PolarHBondContact O-N 3.07Å; S231-R234 PolarHBondContact O-N 3.49Å; S231-R234 PolarHBondContact OG-N 3.09Å; S231-R234 VanDerWaalsContact OG-N 3.13Å; S231-K235 WeakPolarHBondContact O-CG 3.39Å; S231-K235 PolarHBondContact O-N 3.19Å
232G95.2Very high94.5Very high22 Ų2267.1 Ų67.123%0.22735%0.346CS..Hα-helixtrans-59.8-41.2176.200000111.9N220 R234 K235 G236N220-G232 VanDerWaalsContact CB-O 3.24Å; N220-G232 WeakPolarHBondContact CB-O 3.31Å; N220-G232 WeakPolarHBondContact OD1-CA 3.24Å; N220-G232 PolarHBondContact OD1-O 3.41Å; N220-G232 VanDerWaalsContact OD1-O 3.1Å; G232-R234 PolarHBondContact O-N 3.41Å; G232-K235 PolarHBondContact O-N 3.33Å; G232-G236 PolarHBondContact O-N 3.2Å
233L96.3Very high94.8Very high4 Ų461.2 Ų61.22%0.02132%0.32CS..Hα-helixtrans-58.8-46.8176.8-178.860.2000111.6I123 I124 S223 D227 S231 K235 G236 I237I123-L233 HydrophobicContact CB-CD1 4.13Å; I123-L233 HydrophobicContact CD1-CD1 4.42Å; I123-L233 HydrophobicContact CD1-CD2 4.08Å; I123-L233 HydrophobicContact CG2-CD1 3.91Å; I124-L233 HydrophobicContact CD1-CD1 4Å; I124-L233 HydrophobicContact CG1-CD1 3.84Å; S223-L233 PolarHBondContact OG-N 3.42Å; S223-L233 VanDerWaalsContact OG-N 3.16Å; D227-L233 HydrophobicContact CB-CD2 4.1Å; S231-L233 VanDerWaalsContact C-N 3.28Å; S231-L233 PolarHBondContact O-N 3.07Å; L233-K235 VanDerWaalsContact C-N 3.35Å; L233-K235 PolarHBondContact O-N 3.01Å; L233-G236 PolarHBondContact O-N 3.11Å; L233-I237 HydrophobicContact CD1-CD1 4.11Å; L233-I237 HydrophobicContact CD1-CG1 4.32Å; L233-I237 HydrophobicContact CG-CD1 3.9Å; L233-I237 WeakPolarHBondContact O-CG1 3.41Å; L233-I237 PolarHBondContact O-N 3.15Å
234R96.8Very high94.9Very high105 Ų10560.8 Ų60.840%0.39632%0.316SS..Hα-helixtrans-61.6-42.1177.5-179.560.463.897.60.1111.9D227 A228 S231 G232 I237 K238D227-R234 IonicContact OD1-CZ 2.69Å; D227-R234 IonicContact OD1-NE 3.52Å; D227-R234 PolarHBondContact OD1-NE 3.49Å; D227-R234 IonicContact OD1-NH2 2.87Å; D227-R234 PolarHBondContact OD1-NH2 3.41Å; D227-R234 VanDerWaalsContact OD1-NH2 3.13Å; D227-R234 IonicContact OD2-CZ 3.42Å; D227-R234 IonicContact OD2-NE 3.12Å; D227-R234 IonicContact OD2-NH2 2.68Å; D227-R234 PolarHBondContact OD2-NH2 3.35Å; A228-R234 VanDerWaalsContact O-CB 3.3Å; A228-R234 WeakPolarHBondContact O-CB 3.46Å; S231-R234 PolarHBondContact O-N 3.49Å; S231-R234 PolarHBondContact OG-N 3.09Å; S231-R234 VanDerWaalsContact OG-N 3.13Å; G232-R234 PolarHBondContact O-N 3.41Å; R234-I237 PolarHBondContact O-N 3.39Å; R234-K238 WeakPolarHBondContact O-CB 3.47Å; R234-K238 PolarHBondContact O-N 3.5Å
235K97Very high95.1Very high85 Ų8558.5 Ų58.537%0.3731%0.307SS..Hα-helixtrans-61.9-41.8175.2-71.4176.4-176.9177.40111.9M230 S231 G232 L233 A239M230-K235 WeakPolarHBondContact O-CE 3.32Å; S231-K235 WeakPolarHBondContact O-CG 3.39Å; S231-K235 PolarHBondContact O-N 3.19Å; G232-K235 PolarHBondContact O-N 3.33Å; L233-K235 VanDerWaalsContact C-N 3.35Å; L233-K235 PolarHBondContact O-N 3.01Å; K235-A239 WeakPolarHBondContact O-CB 3.13Å; K235-A239 PolarHBondContact O-N 2.94Å
236G96.9Very high95Very high0 Ų056.3 Ų56.30%029%0.293CS..Hα-helixtrans-66.2-42.3176.400000113.1G232 L233 A239 R240G232-G236 PolarHBondContact O-N 3.2Å; L233-G236 PolarHBondContact O-N 3.11Å; G236-A239 PolarHBondContact O-N 3.47Å; G236-R240 PolarHBondContact O-N 2.64Å
237I96.6Very high94.8Very high22 Ų2251.6 Ų51.611%0.11327%0.269CS..Hα-helixtrans-61.3-46.8175.4-69.8166.8000110.7I123 L233 R234 A239 R240 E241I123-I237 HydrophobicContact CG2-CD1 3.98Å; I123-I237 HydrophobicContact CG2-CG1 4.17Å; L233-I237 HydrophobicContact CD1-CD1 4.11Å; L233-I237 HydrophobicContact CD1-CG1 4.32Å; L233-I237 HydrophobicContact CG-CD1 3.9Å; L233-I237 WeakPolarHBondContact O-CG1 3.41Å; L233-I237 PolarHBondContact O-N 3.15Å; R234-I237 PolarHBondContact O-N 3.39Å; I237-A239 VanDerWaalsContact C-N 3.34Å; I237-A239 PolarHBondContact O-N 3.03Å; I237-R240 WeakPolarHBondContact O-CB 3.38Å; I237-R240 PolarHBondContact O-N 2.97Å; I237-E241 WeakPolarHBondContact O-CG 3.47Å; I237-E241 PolarHBondContact O-N 3.45Å
238K96.9Very high94.6Very high128 Ų12850.6 Ų50.656%0.55726%0.261SS*.Hα-helixtrans-61.5-41.6177.7-173.5175.6-179178.30112.1R234 E241 I242R234-K238 WeakPolarHBondContact O-CB 3.47Å; R234-K238 PolarHBondContact O-N 3.5Å; K238-E241 PolarHBondContact O-N 3.02Å; K238-I242 HydrophobicContact CG-CD1 4.37Å; K238-I242 WeakPolarHBondContact O-CG1 3.27Å; K238-I242 PolarHBondContact O-N 3.07Å; K238-I242 VanDerWaalsContact O-N 3.16Å
239A97.3Very high94.2Very high0 Ų054.5 Ų54.50%027%0.272CS..Hα-helixtrans-61.7-44.3175.100000111.5I213 Q216 L217 K235 G236 I237 E241 I242 L243I213-A239 HydrophobicContact CG2-CB 4.08Å; Q216-A239 HydrophobicContact CB-CB 4.26Å; Q216-A239 HydrophobicContact CG-CB 4.18Å; L217-A239 HydrophobicContact CB-CB 3.94Å; K235-A239 WeakPolarHBondContact O-CB 3.13Å; K235-A239 PolarHBondContact O-N 2.94Å; G236-A239 PolarHBondContact O-N 3.47Å; I237-A239 VanDerWaalsContact C-N 3.34Å; I237-A239 PolarHBondContact O-N 3.03Å; A239-E241 PolarHBondContact O-N 2.9Å; A239-I242 PolarHBondContact O-N 3.24Å; A239-L243 WeakPolarHBondContact O-CG 3.44Å; A239-L243 PolarHBondContact O-N 3.27Å
240R96.6Very high93.6Very high42 Ų4250.1 Ų50.116%0.15824%0.242CC..Hα-helixtrans-56.9-47.3173.3176.1-168.952.5-165.80.1111.6I123 I124 L217 G236 I237 I242 L243 H244I123-R240 PolarHBondContact O-NH1 2.56Å; I124-R240 WeakPolarHBondContact O-CD 3.45Å; L217-R240 HydrophobicContact CD1-CB 3.96Å; G236-R240 PolarHBondContact O-N 2.64Å; I237-R240 WeakPolarHBondContact O-CB 3.38Å; I237-R240 PolarHBondContact O-N 2.97Å; R240-I242 VanDerWaalsContact C-N 3.31Å; R240-I242 PolarHBondContact O-N 3.07Å; R240-L243 WeakPolarHBondContact O-CB 3.38Å; R240-L243 PolarHBondContact O-N 3.04Å; R240-H244 WeakPolarHBondContact CG-NE2 3.48Å; R240-H244 WeakPolarHBondContact O-CB 3.4Å; R240-H244 PolarHBondContact O-CD2 3.11Å; R240-H244 PolarHBondContact O-N 3.11Å
241E96.6Very high93.2Very high106 Ų10643 Ų4350%0.49521%0.207SC..Hα-helixtrans-58.1-44.9-178-74.2168.7178.700111.6I237 K238 A239 L243 H244 T245I237-E241 WeakPolarHBondContact O-CG 3.47Å; I237-E241 PolarHBondContact O-N 3.45Å; K238-E241 PolarHBondContact O-N 3.02Å; A239-E241 PolarHBondContact O-N 2.9Å; E241-L243 PolarHBondContact O-N 2.7Å; E241-H244 PolarHBondContact O-N 3.25Å; E241-T245 PolarHBondContact O-N 2.95Å; E241-T245 PolarHBondContact O-OG1 3.25Å; E241-T245 VanDerWaalsContact O-OG1 3.12Å
242I95.8Very high92.8Very high53 Ų5345.5 Ų45.527%0.27222%0.217SC..Hα-helixtrans-61.3-46.1176.4-64.1165.4000111Y209 I213 K238 A239 R240 H244 T245 C246Y209-I242 HydrophobicContact CE1-CG2 4.49Å; I213-I242 HydrophobicContact CD1-CD1 4.28Å; I213-I242 HydrophobicContact CG1-CG2 4.25Å; I213-I242 HydrophobicContact CG2-CB 4.09Å; I213-I242 HydrophobicContact CG2-CG2 4.04Å; K238-I242 HydrophobicContact CG-CD1 4.37Å; K238-I242 WeakPolarHBondContact O-CG1 3.27Å; K238-I242 PolarHBondContact O-N 3.07Å; K238-I242 VanDerWaalsContact O-N 3.16Å; A239-I242 PolarHBondContact O-N 3.24Å; R240-I242 VanDerWaalsContact C-N 3.31Å; R240-I242 PolarHBondContact O-N 3.07Å; I242-H244 PolarHBondContact O-N 3.11Å; I242-T245 PolarHBondContact O-N 3.38Å; I242-C246 PolarHBondContact O-N 3.32Å; I242-C246 VanDerWaalsContact O-N 3.09Å
243L94.4Very high92Very high1 Ų149 Ų491%0.00523%0.227CC..Hα-helixtrans-59.8-46.5176.1-67.6170000110.8L210 I213 F214 L217 A239 R240 E241 T245 C246 M247 V291L210-L243 HydrophobicContact CD1-CD2 3.44Å; L210-L243 VanDerWaalsContact CD1-CD2 3.44Å; L210-L243 HydrophobicContact CG-CD2 3.82Å; I213-L243 HydrophobicContact CB-CD2 4.42Å; I213-L243 HydrophobicContact CG2-CD2 4.06Å; I213-L243 HydrophobicContact CG2-CG 3.9Å; F214-L243 HydrophobicContact CD2-CD1 4.03Å; L217-L243 HydrophobicContact CB-CD1 4.31Å; L217-L243 HydrophobicContact CD1-CD1 3.66Å; A239-L243 WeakPolarHBondContact O-CG 3.44Å; A239-L243 PolarHBondContact O-N 3.27Å; R240-L243 WeakPolarHBondContact O-CB 3.38Å; R240-L243 PolarHBondContact O-N 3.04Å; E241-L243 PolarHBondContact O-N 2.7Å; L243-T245 PolarHBondContact O-N 3.4Å; L243-C246 WeakPolarHBondContact O-CB 3.48Å; L243-C246 PolarHBondContact O-N 2.85Å; L243-C246 VanDerWaalsContact O-N 3.15Å; L243-M247 VanDerWaalsContact O-CG 3.3Å; L243-M247 WeakPolarHBondContact O-CG 3.44Å; L243-M247 PolarHBondContact O-N 3.27Å; L243-V291 HydrophobicContact CB-CG2 4.1Å; L243-V291 HydrophobicContact CD1-CG1 4.44Å
244H94.9Very high91Very high13 Ų1350.8 Ų50.86%0.0624%0.235CC..Hα-helixtrans-60.8-43.9178.9-80.8-156.6000111.9R240 E241 I242 C246 M247 Q248 K287R240-H244 WeakPolarHBondContact CG-NE2 3.48Å; R240-H244 WeakPolarHBondContact O-CB 3.4Å; R240-H244 PolarHBondContact O-CD2 3.11Å; R240-H244 PolarHBondContact O-N 3.11Å; E241-H244 PolarHBondContact O-N 3.25Å; I242-H244 PolarHBondContact O-N 3.11Å; H244-C246 VanDerWaalsContact C-N 3.28Å; H244-C246 PolarHBondContact O-N 2.9Å; H244-M247 PolarHBondContact O-N 2.61Å; H244-Q248 WeakPolarHBondContact O-CB 3.05Å; H244-Q248 PolarHBondContact O-N 3.2Å; H244-K287 HydrophobicContact CB-CD 4.08Å; H244-K287 WeakPolarHBondContact O-CD 3.48Å
245T93.9Very high90.1Very high82 Ų8250.3 Ų50.350%0.50324%0.238SC..Hα-helixtrans-61.3-39.2175.7-600000111.5E241 I242 L243 K249E241-T245 PolarHBondContact O-N 2.95Å; E241-T245 PolarHBondContact O-OG1 3.25Å; E241-T245 VanDerWaalsContact O-OG1 3.12Å; I242-T245 PolarHBondContact O-N 3.38Å; L243-T245 PolarHBondContact O-N 3.4Å; T245-K249 PolarHBondContact O-N 3.38Å
246C88.5Confident89.3Confident15 Ų1554 Ų5410%0.10126%0.257CS..Hα-helixtrans-67.3-46.8176.1-166.90000111.8L210 I242 L243 H244 Q248 K249 I250L210-C246 HydrophobicContact CD1-CB 4.18Å; I242-C246 PolarHBondContact O-N 3.32Å; I242-C246 VanDerWaalsContact O-N 3.09Å; L243-C246 WeakPolarHBondContact O-CB 3.48Å; L243-C246 PolarHBondContact O-N 2.85Å; L243-C246 VanDerWaalsContact O-N 3.15Å; H244-C246 VanDerWaalsContact C-N 3.28Å; H244-C246 PolarHBondContact O-N 2.9Å; C246-Q248 VanDerWaalsContact C-N 3.28Å; C246-Q248 PolarHBondContact O-N 3.18Å; C246-K249 PolarHBondContact O-N 3.15Å; C246-I250 WeakPolarHBondContact O-CG1 2.97Å; C246-I250 PolarHBondContact O-N 3.21Å
247M88.8Confident88Confident2 Ų261.5 Ų61.51%0.0129%0.289CS..Hα-helixtrans-61.4-38.7178-67.2-55101.700111.3L198 L200 L210 L243 H244 I250 I251 K287 A290 V291L198-M247 HydrophobicContact CD1-SD 3.77Å; L200-M247 HydrophobicContact CD1-CE 4.05Å; L200-M247 HydrophobicContact CD1-SD 4.4Å; L210-M247 HydrophobicContact CD2-CE 4Å; L243-M247 VanDerWaalsContact O-CG 3.3Å; L243-M247 WeakPolarHBondContact O-CG 3.44Å; L243-M247 PolarHBondContact O-N 3.27Å; H244-M247 PolarHBondContact O-N 2.61Å; M247-I250 HydrophobicContact CE-CD1 4.14Å; M247-I250 WeakPolarHBondContact O-CB 3.38Å; M247-I250 PolarHBondContact O-N 3.25Å; M247-I251 HydrophobicContact CB-CD1 4.31Å; M247-I251 WeakPolarHBondContact O-CB 3.1Å; M247-I251 WeakPolarHBondContact O-CD1 3.39Å; M247-I251 WeakPolarHBondContact O-CG1 3.44Å; M247-I251 PolarHBondContact O-N 2.98Å; M247-K287 HydrophobicContact CB-CG 4.16Å; M247-A290 HydrophobicContact CG-CB 4.16Å; M247-A290 HydrophobicContact SD-CB 3.93Å; M247-V291 HydrophobicContact CG-CG2 4.36Å
248Q90.9Very high86.3Confident63 Ų6364.5 Ų64.529%0.29430%0.303SS..Hα-helixtrans-58.1-53.8179.5-173.7161.7-31.300112.3H244 C246 I250 I251 E252 M283 K287H244-Q248 WeakPolarHBondContact O-CB 3.05Å; H244-Q248 PolarHBondContact O-N 3.2Å; C246-Q248 VanDerWaalsContact C-N 3.28Å; C246-Q248 PolarHBondContact O-N 3.18Å; Q248-I250 PolarHBondContact O-N 3.42Å; Q248-I251 PolarHBondContact O-N 3.28Å; Q248-I251 VanDerWaalsContact O-N 3.15Å; Q248-E252 HydrophobicContact CG-CG 4.41Å; Q248-E252 WeakPolarHBondContact CG-OE1 3.49Å; Q248-E252 PolarHBondContact NE2-OE1 3.36Å; Q248-E252 WeakPolarHBondContact O-CG 3.41Å; Q248-E252 PolarHBondContact O-N 3Å; Q248-M283 HydrophobicContact CG-CE 4.45Å; Q248-M283 HydrophobicContact CG-CG 4.36Å; Q248-M283 HydrophobicContact CG-SD 4.07Å; Q248-K287 HydrophobicContact CB-CD 3.85Å; Q248-K287 HydrophobicContact CG-CD 4.47Å
249K85.6Confident84.1Confident114 Ų11467.7 Ų67.750%0.49632%0.32SS..Hα-helixtrans-56.3-43.9-179.4-68.8-177.9176.6-170.90111.6T245 C246 E252 E253T245-K249 PolarHBondContact O-N 3.38Å; C246-K249 PolarHBondContact O-N 3.15Å; K249-E252 PolarHBondContact O-N 3.37Å; K249-E253 WeakPolarHBondContact O-CG 3.27Å; K249-E253 PolarHBondContact O-N 3.17Å
250I79.6Confident81.9Confident19 Ų1971.5 Ų71.510%0.09735%0.346CS..Hα-helixtrans-62.6-46.1178.9-79.8173.8000112L200 M202 C246 M247 Q248 E252 E253 K254L200-I250 HydrophobicContact CD1-CD1 3.65Å; L200-I250 HydrophobicContact CD1-CG2 4.25Å; L200-I250 HydrophobicContact CD2-CB 4.25Å; L200-I250 HydrophobicContact CD2-CD1 4.05Å; L200-I250 HydrophobicContact CD2-CG1 4.36Å; L200-I250 HydrophobicContact CD2-CG2 3.04Å; L200-I250 HydrophobicContact CG-CD1 4.3Å; L200-I250 HydrophobicContact CG-CG2 4.22Å; M202-I250 HydrophobicContact CE-CD1 4.33Å; M202-I250 HydrophobicContact SD-CD1 3.85Å; C246-I250 WeakPolarHBondContact O-CG1 2.97Å; C246-I250 PolarHBondContact O-N 3.21Å; M247-I250 HydrophobicContact CE-CD1 4.14Å; M247-I250 WeakPolarHBondContact O-CB 3.38Å; M247-I250 PolarHBondContact O-N 3.25Å; Q248-I250 PolarHBondContact O-N 3.42Å; I250-E252 VanDerWaalsContact C-N 3.34Å; I250-E253 PolarHBondContact O-N 3.3Å; I250-K254 WeakPolarHBondContact O-CB 3.39Å; I250-K254 PolarHBondContact O-N 2.96Å
251I83.1Confident79.7Confident4 Ų478.3 Ų78.32%0.02138%0.38CS..Hα-helixtrans-64.9-43.3179.5-69.7162.8000109.5M247 Q248 K254 M255 F267 M283 L286 K287M247-I251 HydrophobicContact CB-CD1 4.31Å; M247-I251 WeakPolarHBondContact O-CB 3.1Å; M247-I251 WeakPolarHBondContact O-CD1 3.39Å; M247-I251 WeakPolarHBondContact O-CG1 3.44Å; M247-I251 PolarHBondContact O-N 2.98Å; Q248-I251 PolarHBondContact O-N 3.28Å; Q248-I251 VanDerWaalsContact O-N 3.15Å; I251-K254 PolarHBondContact O-N 3.1Å; I251-M255 HydrophobicContact CG2-CG 4.24Å; I251-M255 HydrophobicContact CG2-SD 3.8Å; I251-M255 WeakPolarHBondContact O-CB 3.34Å; I251-M255 VanDerWaalsContact O-CG 3.25Å; I251-M255 WeakPolarHBondContact O-CG 3.43Å; I251-M255 PolarHBondContact O-N 2.83Å; I251-F267 HydrophobicContact CB-CZ 4.18Å; I251-F267 HydrophobicContact CD1-CE2 3.99Å; I251-F267 HydrophobicContact CD1-CZ 4.2Å; I251-F267 HydrophobicContact CG1-CE2 3.71Å; I251-F267 HydrophobicContact CG1-CZ 3.65Å; I251-F267 HydrophobicContact CG2-CE1 4.25Å; I251-F267 HydrophobicContact CG2-CE2 4.48Å; I251-F267 HydrophobicContact CG2-CZ 3.62Å; I251-M283 HydrophobicContact CB-CE 4.42Å; I251-M283 HydrophobicContact CB-SD 4.26Å; I251-M283 HydrophobicContact CD1-SD 4.27Å; I251-M283 HydrophobicContact CG2-CE 3.83Å; I251-M283 HydrophobicContact CG2-SD 3.96Å; I251-L286 HydrophobicContact CD1-CB 3.84Å; I251-L286 HydrophobicContact CG2-CD1 4.09Å; I251-K287 HydrophobicContact CD1-CG 4.13Å
252E86.7Confident77.9Confident76 Ų7679.2 Ų79.236%0.35538%0.384SS..Hα-helixtrans-60.1-49.2176.8-71.8165.9178.200111.5Q248 K249 I250 K254 M255 Q256 M283Q248-E252 HydrophobicContact CG-CG 4.41Å; Q248-E252 WeakPolarHBondContact CG-OE1 3.49Å; Q248-E252 PolarHBondContact NE2-OE1 3.36Å; Q248-E252 WeakPolarHBondContact O-CG 3.41Å; Q248-E252 PolarHBondContact O-N 3Å; K249-E252 PolarHBondContact O-N 3.37Å; I250-E252 VanDerWaalsContact C-N 3.34Å; E252-K254 VanDerWaalsContact C-N 3.27Å; E252-K254 PolarHBondContact O-N 3.42Å; E252-M255 PolarHBondContact O-N 3.13Å; E252-Q256 VanDerWaalsContact O-CG 3.3Å; E252-Q256 WeakPolarHBondContact O-CG 3.46Å; E252-Q256 PolarHBondContact O-N 3Å; E252-M283 HydrophobicContact CG-CE 3.88Å
253E79.6Confident76.2Confident96 Ų9682.2 Ų82.245%0.44939%0.393SS..Hα-helixtrans-58.2-39.7175.6-75.2171.5-154.600112.1K249 I250 Q256 K257K249-E253 WeakPolarHBondContact O-CG 3.27Å; K249-E253 PolarHBondContact O-N 3.17Å; I250-E253 PolarHBondContact O-N 3.3Å; E253-Q256 PolarHBondContact O-N 2.98Å; E253-K257 WeakPolarHBondContact O-CG 3.33Å; E253-K257 PolarHBondContact O-N 3.43Å
254K75.6Confident75Confident40 Ų4087.4 Ų87.417%0.17441%0.413CS..Hα-helixtrans-71.4-41.4-179.9-172.3166.2178.4172.70112.2I250 I251 E252 Q256 K257 Q258 D265 F267 D268I250-K254 WeakPolarHBondContact O-CB 3.39Å; I250-K254 PolarHBondContact O-N 2.96Å; I251-K254 PolarHBondContact O-N 3.1Å; E252-K254 VanDerWaalsContact C-N 3.27Å; E252-K254 PolarHBondContact O-N 3.42Å; K254-Q256 VanDerWaalsContact C-N 3.28Å; K254-Q256 PolarHBondContact O-N 3.05Å; K254-K257 PolarHBondContact O-N 3.1Å; K254-Q258 PolarHBondContact O-N 3.19Å; K254-D265 IonicContact NZ-OD1 2.95Å; K254-D265 PolarHBondContact NZ-OD1 3.25Å; K254-D265 IonicContact NZ-OD2 2.87Å; K254-D265 PolarHBondContact NZ-OD2 2.85Å; K254-F267 HydrophobicContact CD-CD1 3.92Å; K254-D268 WeakPolarHBondContact CE-OD1 3.43Å; K254-D268 IonicContact NZ-OD1 3.23Å; K254-D268 PolarHBondContact NZ-OD1 2.98Å; K254-D268 IonicContact NZ-OD2 3.01Å; K254-D268 PolarHBondContact NZ-OD2 3.34Å
255M77.9Confident74.2Confident96 Ų9687.1 Ų87.147%0.47341%0.412SS..Hα-helixtrans-64.4-32.7175.5-72.1179.772.200112I251 E252I251-M255 HydrophobicContact CG2-CG 4.24Å; I251-M255 HydrophobicContact CG2-SD 3.8Å; I251-M255 WeakPolarHBondContact O-CB 3.34Å; I251-M255 VanDerWaalsContact O-CG 3.25Å; I251-M255 WeakPolarHBondContact O-CG 3.43Å; I251-M255 PolarHBondContact O-N 2.83Å; E252-M255 PolarHBondContact O-N 3.13Å
256Q78.2Confident73.6Confident162 Ų16283.2 Ų83.276%0.75739%0.388SS*.Hα-helixtrans-71-31175.3-72.1172.45.700113.3E252 E253 K254E252-Q256 VanDerWaalsContact O-CG 3.3Å; E252-Q256 WeakPolarHBondContact O-CG 3.46Å; E252-Q256 PolarHBondContact O-N 3Å; E253-Q256 PolarHBondContact O-N 2.98Å; K254-Q256 VanDerWaalsContact C-N 3.28Å; K254-Q256 PolarHBondContact O-N 3.05Å
257K70.9Confident73.3Confident158 Ų15882.9 Ų82.969%0.68739%0.385SS*.THydrogen-bonded Turntrans-87.2-2.5-178.2-72.3175.6-178.3173.20114.4E253 K254 Q259E253-K257 WeakPolarHBondContact O-CG 3.33Å; E253-K257 PolarHBondContact O-N 3.43Å; K254-K257 PolarHBondContact O-N 3.1Å; K257-Q259 VanDerWaalsContact C-N 3.27Å; K257-Q259 PolarHBondContact O-N 3.25Å
258Q60.1Low73Confident84 Ų8483.6 Ų83.639%0.39339%0.389SS..  trans-68.880.9-179.2-89.5-179.6-14.800111.9K254K254-Q258 PolarHBondContact O-N 3.19Å
259Q50.8Low72.7Confident195 Ų19581.9 Ų81.991%0.91138%0.38SS*.  trans-121.8-5.5165.3-91.2-179.2-800113.2K257K257-Q259 VanDerWaalsContact C-N 3.27Å; K257-Q259 PolarHBondContact O-N 3.25Å
260S51.6Low72.7Confident80 Ų8076.6 Ų76.656%0.55936%0.357SS*.  trans-104.6136.5176.367.90000112.4E262S260-E262 PolarHBondContact O-N 3.21Å
261E50.8Low73Confident186 Ų18676.9 Ų76.987%0.86936%0.358SS*.  trans-76.1-1.5179-67-171.2155.200114.7
262E57.6Low73.1Confident125 Ų12577.2 Ų77.258%0.58436%0.361SS*.  trans-85.1127.3-177.7-72.4-176-15600112.4S260 Y264S260-E262 PolarHBondContact O-N 3.21Å; E262-Y264 HydrophobicContact CB-CD2 4.27Å; E262-Y264 HydrophobicContact CB-CE1 3.94Å; E262-Y264 HydrophobicContact CB-CE2 3.47Å; E262-Y264 VanDerWaalsContact CB-CE2 3.47Å; E262-Y264 VanDerWaalsContact CB-OH 3.27Å; E262-Y264 WeakPolarHBondContact CB-OH 3.36Å; E262-Y264 VanDerWaalsContact CD-OH 3.25Å; E262-Y264 VanDerWaalsContact O-CD2 3.25Å; E262-Y264 WeakPolarHBondContact O-CD2 3.34Å; E262-Y264 WeakPolarHBondContact O-CE2 3.24Å; E262-Y264 WeakPolarHBondContact OE2-CE1 3.35Å; E262-Y264 PolarHBondContact OE2-OH 2.87Å
263Y60.3Low73.1Confident115 Ų11573.8 Ų73.845%0.45135%0.346SS..  trans-86.9118.1176.8-63-85.5000110.1D268Y263-D268 HydrophobicContact CD1-CB 3.81Å
264Y69.5Low73.4Confident110 Ų11069.2 Ų69.243%0.43133%0.325SS..  trans-115.8-16.1-176-60.1-75.1000114.5R160 E262 D268R160-Y264 PolarHBondContact NH1-O 2.96Å; R160-Y264 PolarHBondContact NH2-O 3.07Å; E262-Y264 HydrophobicContact CB-CD2 4.27Å; E262-Y264 HydrophobicContact CB-CE1 3.94Å; E262-Y264 HydrophobicContact CB-CE2 3.47Å; E262-Y264 VanDerWaalsContact CB-CE2 3.47Å; E262-Y264 VanDerWaalsContact CB-OH 3.27Å; E262-Y264 WeakPolarHBondContact CB-OH 3.36Å; E262-Y264 VanDerWaalsContact CD-OH 3.25Å; E262-Y264 VanDerWaalsContact O-CD2 3.25Å; E262-Y264 WeakPolarHBondContact O-CD2 3.34Å; E262-Y264 WeakPolarHBondContact O-CE2 3.24Å; E262-Y264 WeakPolarHBondContact OE2-CE1 3.35Å; E262-Y264 PolarHBondContact OE2-OH 2.87Å; Y264-D268 PolarHBondContact N-OD2 2.65Å
265D79.4Confident73.9Confident8 Ų874.1 Ų74.14%0.04335%0.346CS..SBendtrans-153.6176.3-175.960.256.5000113.5V196 G199 K254 F267 D268 Y269V196-D265 WeakPolarHBondContact O-CB 3.44Å; G199-D265 VanDerWaalsContact CA-OD2 3.26Å; G199-D265 WeakPolarHBondContact CA-OD2 3.17Å; K254-D265 IonicContact NZ-OD1 2.95Å; K254-D265 PolarHBondContact NZ-OD1 3.25Å; K254-D265 IonicContact NZ-OD2 2.87Å; K254-D265 PolarHBondContact NZ-OD2 2.85Å; D265-F267 PolarHBondContact O-N 3.46Å; D265-F267 VanDerWaalsContact O-N 3.17Å; D265-F267 WeakPolarHBondContact OD1-CA 3.17Å; D265-F267 WeakPolarHBondContact OD1-CB 3.36Å; D265-F267 PolarHBondContact OD1-N 3.44Å; D265-D268 PolarHBondContact O-N 2.91Å; D265-D268 PolarHBondContact OD1-N 3.09Å; D265-Y269 VanDerWaalsContact O-CD2 3.23Å; D265-Y269 WeakPolarHBondContact O-CD2 3.19Å; D265-Y269 PolarHBondContact O-N 3.37Å
266A81.3Confident74.4Confident0 Ų075.7 Ų75.70%035%0.352CS..Hα-helixtrans-57.9-30.7-177.700000112.5V148 Y157 L197 M270 L293V148-A266 HydrophobicContact CB-CB 4.29Å; V148-A266 HydrophobicContact CG1-CB 3.24Å; V148-A266 HydrophobicContact CG2-CB 4.16Å; V148-A266 WeakPolarHBondContact CG2-O 3.49Å; Y157-A266 VanDerWaalsContact OH-CA 3.24Å; Y157-A266 WeakPolarHBondContact OH-CA 3.48Å; Y157-A266 PolarHBondContact OH-N 2.95Å; Y157-A266 VanDerWaalsContact OH-N 3.13Å; L197-A266 HydrophobicContact CB-CB 3.97Å; L197-A266 HydrophobicContact CD2-CB 4.28Å; L197-A266 WeakPolarHBondContact O-CA 3.14Å; L197-A266 WeakPolarHBondContact O-CB 3.45Å; L197-A266 PolarHBondContact O-N 3.04Å; A266-M270 WeakPolarHBondContact O-CB 3.35Å; A266-M270 PolarHBondContact O-N 3.45Å; A266-L293 HydrophobicContact CB-CD1 4.19Å
267F80.7Confident74.8Confident8 Ų869.9 Ų69.94%0.03533%0.326CS..Hα-helixtrans-67.8-41.8-178.9-163.1-95.1000111.2I251 K254 D265 M270 L271 L286I251-F267 HydrophobicContact CB-CZ 4.18Å; I251-F267 HydrophobicContact CD1-CE2 3.99Å; I251-F267 HydrophobicContact CD1-CZ 4.2Å; I251-F267 HydrophobicContact CG1-CE2 3.71Å; I251-F267 HydrophobicContact CG1-CZ 3.65Å; I251-F267 HydrophobicContact CG2-CE1 4.25Å; I251-F267 HydrophobicContact CG2-CE2 4.48Å; I251-F267 HydrophobicContact CG2-CZ 3.62Å; K254-F267 HydrophobicContact CD-CD1 3.92Å; D265-F267 PolarHBondContact O-N 3.46Å; D265-F267 VanDerWaalsContact O-N 3.17Å; D265-F267 WeakPolarHBondContact OD1-CA 3.17Å; D265-F267 WeakPolarHBondContact OD1-CB 3.36Å; D265-F267 PolarHBondContact OD1-N 3.44Å; F267-M270 HydrophobicContact CD2-CE 3.52Å; F267-M270 HydrophobicContact CE2-CE 3.6Å; F267-M270 HydrophobicContact CG-CE 4.29Å; F267-M270 HydrophobicContact CZ-CE 4.43Å; F267-M270 PolarHBondContact O-N 2.49Å; F267-L271 WeakPolarHBondContact O-CB 3.31Å; F267-L271 PolarHBondContact O-N 3.47Å; F267-L286 HydrophobicContact CE2-CB 4.2Å; F267-L286 HydrophobicContact CE2-CD2 3.82Å; F267-L286 HydrophobicContact CE2-CG 4.48Å; F267-L286 HydrophobicContact CZ-CB 4.35Å; F267-L286 HydrophobicContact CZ-CD1 4.13Å; F267-L286 HydrophobicContact CZ-CD2 3.76Å; F267-L286 HydrophobicContact CZ-CG 4.3Å
268D82.4Confident75.5Confident16 Ų1665.8 Ų65.89%0.08633%0.329CS..Hα-helixtrans-68.5-41.9177.4-58.8-43.1000111.8K254 Y263 Y264 D265 M270 L271 S272K254-D268 WeakPolarHBondContact CE-OD1 3.43Å; K254-D268 IonicContact NZ-OD1 3.23Å; K254-D268 PolarHBondContact NZ-OD1 2.98Å; K254-D268 IonicContact NZ-OD2 3.01Å; K254-D268 PolarHBondContact NZ-OD2 3.34Å; Y263-D268 HydrophobicContact CD1-CB 3.81Å; Y264-D268 PolarHBondContact N-OD2 2.65Å; D265-D268 PolarHBondContact O-N 2.91Å; D265-D268 PolarHBondContact OD1-N 3.09Å; D268-M270 VanDerWaalsContact C-N 3.33Å; D268-M270 PolarHBondContact O-N 2.87Å; D268-L271 PolarHBondContact O-N 3.29Å; D268-S272 PolarHBondContact O-N 2.9Å; D268-S272 PolarHBondContact O-OG 3.24Å; D268-S272 VanDerWaalsContact O-OG 3.08Å
269Y85.6Confident76.8Confident28 Ų2863.9 Ų63.911%0.1132%0.32CS..Hα-helixtrans-63.6-38.5173.9-77.5-71.7000112.2K147 A153 Y157 D265 S272 S273K147-Y269 HydrophobicContact CG-CD1 4.36Å; A153-Y269 HydrophobicContact CB-CD1 4.32Å; A153-Y269 HydrophobicContact CB-CD2 3.79Å; A153-Y269 HydrophobicContact CB-CE1 4.11Å; A153-Y269 HydrophobicContact CB-CE2 3.55Å; A153-Y269 HydrophobicContact CB-CG 4.18Å; Y157-Y269 HydrophobicContact CE1-CD2 4.43Å; Y157-Y269 HydrophobicContact CE1-CE2 4.25Å; Y157-Y269 WeakPolarHBondContact OH-CD2 3.47Å; D265-Y269 VanDerWaalsContact O-CD2 3.23Å; D265-Y269 WeakPolarHBondContact O-CD2 3.19Å; D265-Y269 PolarHBondContact O-N 3.37Å; Y269-S272 PolarHBondContact O-OG 2.87Å; Y269-S273 VanDerWaalsContact O-CB 3.22Å; Y269-S273 WeakPolarHBondContact O-CB 3.32Å; Y269-S273 PolarHBondContact O-N 3.19Å
270M85.9Confident78.5Confident2 Ų263.3 Ų63.31%0.0132%0.317CS..Hα-helixtrans-65.9-46.7176.8178-178.461.500111.4I144 L145 V148 A266 F267 D268 S273 A274 L281 L286 T289I144-M270 HydrophobicContact CG2-CG 4.05Å; L145-M270 HydrophobicContact CD2-SD 4.45Å; V148-M270 HydrophobicContact CG2-CB 4.05Å; A266-M270 WeakPolarHBondContact O-CB 3.35Å; A266-M270 PolarHBondContact O-N 3.45Å; F267-M270 HydrophobicContact CD2-CE 3.52Å; F267-M270 HydrophobicContact CE2-CE 3.6Å; F267-M270 HydrophobicContact CG-CE 4.29Å; F267-M270 HydrophobicContact CZ-CE 4.43Å; F267-M270 PolarHBondContact O-N 2.49Å; D268-M270 VanDerWaalsContact C-N 3.33Å; D268-M270 PolarHBondContact O-N 2.87Å; M270-S273 PolarHBondContact O-N 3.44Å; M270-A274 WeakPolarHBondContact O-CB 3.43Å; M270-A274 PolarHBondContact O-N 2.89Å; M270-L281 HydrophobicContact CE-CD1 4.38Å; M270-L281 HydrophobicContact CG-CD1 3.79Å; M270-L281 HydrophobicContact SD-CD1 4.13Å; M270-L286 HydrophobicContact CE-CD2 3.52Å; M270-T289 HydrophobicContact SD-CG2 3.35Å; M270-T289 WeakPolarHBondContact SD-CG2 3.37Å
271L84.6Confident80.3Confident25 Ų2560.4 Ų60.413%0.13130%0.295CS..Hα-helixtrans-64.4-43.9-179.9-175.264.7000111.5F267 D268 A274 K275F267-L271 WeakPolarHBondContact O-CB 3.31Å; F267-L271 PolarHBondContact O-N 3.47Å; D268-L271 PolarHBondContact O-N 3.29Å; L271-A274 PolarHBondContact O-N 2.98Å; L271-K275 WeakPolarHBondContact O-CG 3.39Å; L271-K275 PolarHBondContact O-N 3.36Å; L271-K275 VanDerWaalsContact O-N 3.08Å
272S85.1Confident82.3Confident11 Ų1154.3 Ų54.38%0.07727%0.273CS..Hα-helixtrans-63.8-44175.160.40000112.1K147 D268 Y269 A274 K275 E276K147-S272 PolarHBondContact NZ-OG 2.9Å; D268-S272 PolarHBondContact O-N 2.9Å; D268-S272 PolarHBondContact O-OG 3.24Å; D268-S272 VanDerWaalsContact O-OG 3.08Å; Y269-S272 PolarHBondContact O-OG 2.87Å; S272-A274 VanDerWaalsContact C-N 3.31Å; S272-A274 PolarHBondContact O-N 3.27Å; S272-K275 PolarHBondContact O-N 2.97Å; S272-E276 WeakPolarHBondContact O-CG 3.47Å; S272-E276 PolarHBondContact O-N 3Å
273S86.8Confident83.9Confident4 Ų450.9 Ų50.93%0.02826%0.258CS..Hα-helixtrans-63.4-37.9177.9-161.70000112.2I144 Y269 M270 E276 N277I144-S273 WeakPolarHBondContact CA-OG 3.4Å; I144-S273 PolarHBondContact O-OG 3.41Å; Y269-S273 VanDerWaalsContact O-CB 3.22Å; Y269-S273 WeakPolarHBondContact O-CB 3.32Å; Y269-S273 PolarHBondContact O-N 3.19Å; M270-S273 PolarHBondContact O-N 3.44Å; S273-E276 PolarHBondContact O-N 3.07Å; S273-N277 WeakPolarHBondContact O-CB 2.99Å; S273-N277 PolarHBondContact O-N 2.93Å; S273-N277 VanDerWaalsContact O-N 3.08Å; S273-N277 PolarHBondContact O-ND2 3.5Å
274A85.8Confident85.5Confident1 Ų148.8 Ų48.81%0.00825%0.252CS..Hα-helixtrans-63-47.117600000111.2I144 M270 L271 S272 E276 N277 G278 H279 L281I144-A274 HydrophobicContact CD1-CB 4.32Å; I144-A274 HydrophobicContact CG2-CB 4.26Å; M270-A274 WeakPolarHBondContact O-CB 3.43Å; M270-A274 PolarHBondContact O-N 2.89Å; L271-A274 PolarHBondContact O-N 2.98Å; S272-A274 VanDerWaalsContact C-N 3.31Å; S272-A274 PolarHBondContact O-N 3.27Å; A274-E276 PolarHBondContact O-N 3.36Å; A274-N277 CarbonylContact O-C 3.57Å; A274-N277 PolarHBondContact O-N 3.26Å; A274-N277 VanDerWaalsContact O-N 3.1Å; A274-G278 PolarHBondContact O-N 3.21Å; A274-H279 CarbonylContact C-O 3.6Å; A274-H279 VanDerWaalsContact CB-O 3.32Å; A274-H279 WeakPolarHBondContact CB-O 3.37Å; A274-H279 PolarHBondContact O-N 2.68Å; A274-H279 VanDerWaalsContact O-O 3.07Å; A274-L281 HydrophobicContact CB-CD1 3.62Å; A274-L281 HydrophobicContact CB-CG 3.75Å
275K86.7Confident86.6Confident143 Ų14344.5 Ų44.562%0.62224%0.236SC*.Hα-helixtrans-57.7-47174.6-71.6177.7179.5-1790112.2L271 S272 N277 G278L271-K275 WeakPolarHBondContact O-CG 3.39Å; L271-K275 PolarHBondContact O-N 3.36Å; L271-K275 VanDerWaalsContact O-N 3.08Å; S272-K275 PolarHBondContact O-N 2.97Å; K275-N277 PolarHBondContact O-N 2.86Å; K275-G278 PolarHBondContact O-N 3.35Å
276E87.7Confident87.2Confident129 Ų12944.4 Ų44.460%0.60324%0.236SC*.Hα-helixtrans-60.5-28176.4-74.3167.3-178.700113.4K147 S272 S273 A274 G278K147-E276 IonicContact NZ-OE1 3.34Å; K147-E276 PolarHBondContact NZ-OE1 3.4Å; K147-E276 IonicContact NZ-OE2 3.2Å; K147-E276 PolarHBondContact NZ-OE2 2.84Å; S272-E276 WeakPolarHBondContact O-CG 3.47Å; S272-E276 PolarHBondContact O-N 3Å; S273-E276 PolarHBondContact O-N 3.07Å; A274-E276 PolarHBondContact O-N 3.36Å; E276-G278 VanDerWaalsContact C-N 3.35Å
277N86.8Confident87.8Confident40 Ų4045.6 Ų45.621%0.21424%0.241CC..THydrogen-bonded Turntrans-95.815.3176.8-72.5-84.2000112.9K143 I144 S273 A274 K275 H279K143-N277 VanDerWaalsContact CD-OD1 3.29Å; K143-N277 WeakPolarHBondContact CD-OD1 3.39Å; K143-N277 WeakPolarHBondContact CE-OD1 3.37Å; K143-N277 PolarHBondContact NZ-OD1 2.88Å; I144-N277 HydrophobicContact CG1-CB 4.47Å; S273-N277 WeakPolarHBondContact O-CB 2.99Å; S273-N277 PolarHBondContact O-N 2.93Å; S273-N277 VanDerWaalsContact O-N 3.08Å; S273-N277 PolarHBondContact O-ND2 3.5Å; A274-N277 CarbonylContact O-C 3.57Å; A274-N277 PolarHBondContact O-N 3.26Å; A274-N277 VanDerWaalsContact O-N 3.1Å; K275-N277 PolarHBondContact O-N 2.86Å; N277-H279 PolarHBondContact O-N 2.92Å
278G86.3Confident88.4Confident72 Ų7245.4 Ų45.474%0.74224%0.24SC*.THydrogen-bonded Turntrans6033.4178.500000113.1A274 K275 E276A274-G278 PolarHBondContact O-N 3.21Å; K275-G278 PolarHBondContact O-N 3.35Å; E276-G278 VanDerWaalsContact C-N 3.35Å
279H87.8Confident88.9Confident44 Ų4445 Ų4520%0.20424%0.238CC..  trans-122.4122.2179.8-168.476.7000110.5K140 I144 A274 N277 E285K140-H279 PolarHBondContact NZ-ND1 3.45Å; I144-H279 HydrophobicContact CD1-CB 4.36Å; A274-H279 CarbonylContact C-O 3.6Å; A274-H279 VanDerWaalsContact CB-O 3.32Å; A274-H279 WeakPolarHBondContact CB-O 3.37Å; A274-H279 PolarHBondContact O-N 2.68Å; A274-H279 VanDerWaalsContact O-O 3.07Å; N277-H279 PolarHBondContact O-N 2.92Å; H279-E285 IonicContact CE1-OE2 3.6Å; H279-E285 IonicContact NE2-OE1 3.79Å; H279-E285 IonicContact NE2-OE2 3.92Å; H279-E285 PolarHBondContact NE2-OE2 2.95Å
280E86.9Confident89.1Confident182 Ų18243.8 Ų43.885%0.8523%0.234SC*.PPolyproline II helixtrans-91.3120169.8-168.6171.1-165.100109
281L88.4Confident89.5Confident20 Ų2043.8 Ų43.811%0.10523%0.234CC..PPolyproline II helixtrans-79.7123.9-179.2-69.8167.8000109.7M270 A274 E285 L286M270-L281 HydrophobicContact CE-CD1 4.38Å; M270-L281 HydrophobicContact CG-CD1 3.79Å; M270-L281 HydrophobicContact SD-CD1 4.13Å; A274-L281 HydrophobicContact CB-CD1 3.62Å; A274-L281 HydrophobicContact CB-CG 3.75Å; L281-E285 HydrophobicContact CD2-CB 4.14Å; L281-L286 HydrophobicContact CB-CD2 3.7Å; L281-L286 HydrophobicContact CB-CG 3.89Å; L281-L286 HydrophobicContact CD1-CD2 3.66Å; L281-L286 HydrophobicContact CG-CD2 4.3Å
282S92.8Very high89.9Confident58 Ų5843.4 Ų43.441%0.40623%0.232SC..PPolyproline II helixtrans-68.5158.1172.874.40000111.5Q284 E285 L286S282-Q284 PolarHBondContact O-N 2.57Å; S282-Q284 VanDerWaalsContact O-N 3.14Å; S282-E285 PolarHBondContact N-OE2 3.09Å; S282-E285 WeakPolarHBondContact O-CB 3.42Å; S282-E285 PolarHBondContact O-N 3.24Å; S282-E285 WeakPolarHBondContact OG-CG 3.27Å; S282-E285 PolarHBondContact OG-N 2.91Å; S282-L286 WeakPolarHBondContact O-CG 3.39Å; S282-L286 PolarHBondContact O-N 2.84Å
283M91.2Very high90.3Very high53 Ų5343.4 Ų43.426%0.26123%0.231SC..Hα-helixtrans-53.7-36.2173.9-178.557.87400112.3Q248 I251 E252 L286 K287Q248-M283 HydrophobicContact CG-CE 4.45Å; Q248-M283 HydrophobicContact CG-CG 4.36Å; Q248-M283 HydrophobicContact CG-SD 4.07Å; I251-M283 HydrophobicContact CB-CE 4.42Å; I251-M283 HydrophobicContact CB-SD 4.26Å; I251-M283 HydrophobicContact CD1-SD 4.27Å; I251-M283 HydrophobicContact CG2-CE 3.83Å; I251-M283 HydrophobicContact CG2-SD 3.96Å; E252-M283 HydrophobicContact CG-CE 3.88Å; M283-L286 PolarHBondContact O-N 2.76Å; M283-K287 HydrophobicContact CG-CD 4.32Å; M283-K287 VanDerWaalsContact O-CG 3.29Å; M283-K287 WeakPolarHBondContact O-CG 3.38Å; M283-K287 PolarHBondContact O-N 2.82Å; M283-K287 HydrophobicContact SD-CD 4.43Å; M283-K287 HydrophobicContact SD-CG 4.29Å
284Q94.5Very high90.6Very high70 Ų7043.3 Ų43.333%0.32723%0.23SC..Hα-helixtrans-68.5-41.4177.1-172.763.41700112S282 L286 K287 E288S282-Q284 PolarHBondContact O-N 2.57Å; S282-Q284 VanDerWaalsContact O-N 3.14Å; Q284-L286 VanDerWaalsContact C-N 3.33Å; Q284-L286 PolarHBondContact O-N 2.69Å; Q284-K287 PolarHBondContact O-N 3.16Å; Q284-K287 VanDerWaalsContact OE1-CE 3.23Å; Q284-E288 PolarHBondContact NE2-OE1 3.14Å; Q284-E288 WeakPolarHBondContact O-CB 3.25Å; Q284-E288 WeakPolarHBondContact O-CG 3.29Å; Q284-E288 PolarHBondContact O-N 2.71Å
285E93.1Very high90.9Very high20 Ų2044.9 Ų44.99%0.09324%0.237CC..Hα-helixtrans-62.8-40.9175-69.4-171.3108.500111.5N128 K141 H279 L281 S282 T289N128-E285 HydrophobicContact CB-CG 3.94Å; K141-E285 IonicContact NZ-OE1 3.72Å; K141-E285 PolarHBondContact NZ-OE1 3.01Å; H279-E285 IonicContact CE1-OE2 3.6Å; H279-E285 IonicContact NE2-OE1 3.79Å; H279-E285 IonicContact NE2-OE2 3.92Å; H279-E285 PolarHBondContact NE2-OE2 2.95Å; L281-E285 HydrophobicContact CD2-CB 4.14Å; S282-E285 PolarHBondContact N-OE2 3.09Å; S282-E285 WeakPolarHBondContact O-CB 3.42Å; S282-E285 PolarHBondContact O-N 3.24Å; S282-E285 WeakPolarHBondContact OG-CG 3.27Å; S282-E285 PolarHBondContact OG-N 2.91Å; E285-T289 VanDerWaalsContact O-CB 3.24Å; E285-T289 WeakPolarHBondContact O-CB 3.36Å; E285-T289 PolarHBondContact O-N 3.43Å; E285-T289 PolarHBondContact O-OG1 2.78Å
286L90.9Very high91.2Very high7 Ų740.8 Ų40.84%0.03723%0.229CC..Hα-helixtrans-63.3-46.6178.3-66.4169.3000111.6I251 F267 M270 L281 S282 M283 Q284 T289 A290I251-L286 HydrophobicContact CD1-CB 3.84Å; I251-L286 HydrophobicContact CG2-CD1 4.09Å; F267-L286 HydrophobicContact CE2-CB 4.2Å; F267-L286 HydrophobicContact CE2-CD2 3.82Å; F267-L286 HydrophobicContact CE2-CG 4.48Å; F267-L286 HydrophobicContact CZ-CB 4.35Å; F267-L286 HydrophobicContact CZ-CD1 4.13Å; F267-L286 HydrophobicContact CZ-CD2 3.76Å; F267-L286 HydrophobicContact CZ-CG 4.3Å; M270-L286 HydrophobicContact CE-CD2 3.52Å; L281-L286 HydrophobicContact CB-CD2 3.7Å; L281-L286 HydrophobicContact CB-CG 3.89Å; L281-L286 HydrophobicContact CD1-CD2 3.66Å; L281-L286 HydrophobicContact CG-CD2 4.3Å; S282-L286 WeakPolarHBondContact O-CG 3.39Å; S282-L286 PolarHBondContact O-N 2.84Å; M283-L286 PolarHBondContact O-N 2.76Å; Q284-L286 VanDerWaalsContact C-N 3.33Å; Q284-L286 PolarHBondContact O-N 2.69Å; L286-T289 PolarHBondContact O-N 3.38Å; L286-A290 WeakPolarHBondContact O-CB 3.34Å; L286-A290 PolarHBondContact O-N 2.65Å
287K93.1Very high91.4Very high24 Ų2435.3 Ų35.310%0.10421%0.206CC..Hα-helixtrans-61.7-47.8177.4-70.2-179.1-54.2-173.80112.3H244 M247 Q248 I251 M283 Q284 T289 A290 V291H244-K287 HydrophobicContact CB-CD 4.08Å; H244-K287 WeakPolarHBondContact O-CD 3.48Å; M247-K287 HydrophobicContact CB-CG 4.16Å; Q248-K287 HydrophobicContact CB-CD 3.85Å; Q248-K287 HydrophobicContact CG-CD 4.47Å; I251-K287 HydrophobicContact CD1-CG 4.13Å; M283-K287 HydrophobicContact CG-CD 4.32Å; M283-K287 VanDerWaalsContact O-CG 3.29Å; M283-K287 WeakPolarHBondContact O-CG 3.38Å; M283-K287 PolarHBondContact O-N 2.82Å; M283-K287 HydrophobicContact SD-CD 4.43Å; M283-K287 HydrophobicContact SD-CG 4.29Å; Q284-K287 PolarHBondContact O-N 3.16Å; Q284-K287 VanDerWaalsContact OE1-CE 3.23Å; K287-T289 VanDerWaalsContact C-N 3.34Å; K287-T289 PolarHBondContact O-N 3.25Å; K287-A290 PolarHBondContact O-N 3.16Å; K287-V291 WeakPolarHBondContact O-CG2 3.14Å; K287-V291 PolarHBondContact O-N 3.35Å; K287-V291 VanDerWaalsContact O-N 3.09Å
288E94.4Very high91.7Very high4 Ų433.5 Ų33.52%0.01920%0.196CC..Hα-helixtrans-64.7-39.6179-74-179.4-164.400111.5N128 T129 Q284 V291 E292N128-E288 WeakPolarHBondContact CA-OE2 3.43Å; N128-E288 WeakPolarHBondContact CB-OE2 3.23Å; N128-E288 PolarHBondContact N-OE2 3.47Å; N128-E288 PolarHBondContact ND2-OE1 2.68Å; N128-E288 PolarHBondContact ND2-OE2 2.98Å; T129-E288 HydrophobicContact CG2-CB 4.06Å; Q284-E288 PolarHBondContact NE2-OE1 3.14Å; Q284-E288 WeakPolarHBondContact O-CB 3.25Å; Q284-E288 WeakPolarHBondContact O-CG 3.29Å; Q284-E288 PolarHBondContact O-N 2.71Å; E288-V291 PolarHBondContact O-N 3.13Å; E288-E292 VanDerWaalsContact O-CB 3.31Å; E288-E292 WeakPolarHBondContact O-CB 3.4Å; E288-E292 PolarHBondContact O-N 3.31Å
289T92.2Very high92Very high8 Ų830.8 Ų30.85%0.04917%0.166CC..Hα-helixtrans-67.9-39.1177.9-53.30000111.8L145 M270 E285 L286 K287 E292 L293L145-T289 HydrophobicContact CD2-CG2 3.71Å; M270-T289 HydrophobicContact SD-CG2 3.35Å; M270-T289 WeakPolarHBondContact SD-CG2 3.37Å; E285-T289 VanDerWaalsContact O-CB 3.24Å; E285-T289 WeakPolarHBondContact O-CB 3.36Å; E285-T289 PolarHBondContact O-N 3.43Å; E285-T289 PolarHBondContact O-OG1 2.78Å; L286-T289 PolarHBondContact O-N 3.38Å; K287-T289 VanDerWaalsContact C-N 3.34Å; K287-T289 PolarHBondContact O-N 3.25Å; T289-E292 PolarHBondContact O-N 3Å; T289-L293 WeakPolarHBondContact O-CG 3.17Å; T289-L293 PolarHBondContact O-N 2.93Å
290A91.2Very high92.5Very high3 Ų330.7 Ų30.73%0.02517%0.168CC..Hα-helixtrans-61.8-46175.400000111.9L198 M247 L286 K287 E292 L293 I294L198-A290 HydrophobicContact CD1-CB 4.29Å; L198-A290 HydrophobicContact CD2-CB 3.74Å; M247-A290 HydrophobicContact CG-CB 4.16Å; M247-A290 HydrophobicContact SD-CB 3.93Å; L286-A290 WeakPolarHBondContact O-CB 3.34Å; L286-A290 PolarHBondContact O-N 2.65Å; K287-A290 PolarHBondContact O-N 3.16Å; A290-E292 VanDerWaalsContact C-N 3.33Å; A290-E292 PolarHBondContact O-N 3.43Å; A290-L293 PolarHBondContact O-N 3.39Å; A290-I294 PolarHBondContact O-N 3.12Å
291V93.5Very high93Very high2 Ų222.3 Ų22.31%0.01213%0.13CC..Hα-helixtrans-64.7-38.4175.1174.90000111.3L217 L243 M247 K287 E288 I294 F295L217-V291 HydrophobicContact CD1-CG1 4.34Å; L243-V291 HydrophobicContact CB-CG2 4.1Å; L243-V291 HydrophobicContact CD1-CG1 4.44Å; M247-V291 HydrophobicContact CG-CG2 4.36Å; K287-V291 WeakPolarHBondContact O-CG2 3.14Å; K287-V291 PolarHBondContact O-N 3.35Å; K287-V291 VanDerWaalsContact O-N 3.09Å; E288-V291 PolarHBondContact O-N 3.13Å; V291-I294 PolarHBondContact O-N 2.9Å; V291-F295 WeakPolarHBondContact O-CB 3.26Å; V291-F295 PolarHBondContact O-N 3.46Å
292E93.6Very high93.4Very high17 Ų1721.3 Ų21.38%0.07913%0.125CC..Hα-helixtrans-62.8-39.9175.9179.3172.4-144.500112.6T129 L130 V131 E288 T289 A290 F295 A296T129-E292 VanDerWaalsContact CA-OE2 3.27Å; T129-E292 WeakPolarHBondContact CA-OE2 3.14Å; T129-E292 WeakPolarHBondContact CB-OE2 3.29Å; T129-E292 HydrophobicContact CG2-CB 4.03Å; T129-E292 HydrophobicContact CG2-CG 4.49Å; L130-E292 WeakPolarHBondContact CA-OE1 2.94Å; L130-E292 VanDerWaalsContact CB-OE1 3.32Å; L130-E292 WeakPolarHBondContact CB-OE1 3.4Å; L130-E292 PolarHBondContact N-OE1 2.89Å; L130-E292 PolarHBondContact N-OE2 2.95Å; V131-E292 PolarHBondContact N-OE1 3.19Å; E288-E292 VanDerWaalsContact O-CB 3.31Å; E288-E292 WeakPolarHBondContact O-CB 3.4Å; E288-E292 PolarHBondContact O-N 3.31Å; T289-E292 PolarHBondContact O-N 3Å; A290-E292 VanDerWaalsContact C-N 3.33Å; A290-E292 PolarHBondContact O-N 3.43Å; E292-F295 WeakPolarHBondContact O-CB 3.24Å; E292-F295 PolarHBondContact O-N 2.84Å; E292-A296 WeakPolarHBondContact O-CB 3.45Å; E292-A296 PolarHBondContact O-N 3.33Å
293L92.4Very high93.7Very high10 Ų1018.6 Ų18.65%0.05211%0.105CC..Hα-helixtrans-63.1-43.8176.3-72.8173.4000111.6L145 F149 L197 L198 A266 T289 A290 A296 A297L145-L293 HydrophobicContact CD2-CD2 4.34Å; F149-L293 HydrophobicContact CE2-CD2 4.16Å; F149-L293 HydrophobicContact CZ-CD2 3.69Å; L197-L293 HydrophobicContact CD1-CB 4.48Å; L198-L293 HydrophobicContact CD2-CD1 4.27Å; A266-L293 HydrophobicContact CB-CD1 4.19Å; T289-L293 WeakPolarHBondContact O-CG 3.17Å; T289-L293 PolarHBondContact O-N 2.93Å; A290-L293 PolarHBondContact O-N 3.39Å; L293-A296 PolarHBondContact O-N 2.85Å; L293-A297 WeakPolarHBondContact O-CB 3.4Å; L293-A297 PolarHBondContact O-N 3.42Å; L293-A297 VanDerWaalsContact O-N 3.09Å
294I93.4Very high94Very high2 Ų216.2 Ų16.21%0.019%0.094CC..Hα-helixtrans-61.4-47.7173.5-60.8169.4000109.9F190 A193 V194 L198 F214 A290 V291 A296 A297 H298F190-I294 HydrophobicContact CD2-CG2 3.79Å; F190-I294 HydrophobicContact CE2-CG2 3.67Å; A193-I294 HydrophobicContact CB-CB 4.45Å; A193-I294 HydrophobicContact CB-CG1 4.17Å; A193-I294 HydrophobicContact CB-CG2 4.47Å; V194-I294 HydrophobicContact CG2-CD1 4.35Å; L198-I294 HydrophobicContact CD1-CD1 3.62Å; L198-I294 HydrophobicContact CD1-CG1 3.85Å; F214-I294 HydrophobicContact CD1-CG2 4.2Å; F214-I294 HydrophobicContact CD2-CG2 3.76Å; F214-I294 HydrophobicContact CE1-CG2 4.07Å; F214-I294 HydrophobicContact CE2-CB 4.11Å; F214-I294 HydrophobicContact CE2-CG2 3.62Å; F214-I294 HydrophobicContact CG-CG2 4.09Å; F214-I294 HydrophobicContact CZ-CG2 3.84Å; A290-I294 PolarHBondContact O-N 3.12Å; V291-I294 PolarHBondContact O-N 2.9Å; I294-A296 PolarHBondContact O-N 3.26Å; I294-A297 PolarHBondContact O-N 2.8Å; I294-H298 WeakPolarHBondContact O-CB 3.3Å; I294-H298 PolarHBondContact O-N 2.91Å
295F93.1Very high94.2Very high35 Ų3512.9 Ų12.915%0.1548%0.079CC..Hα-helixtrans-55.2-47.2178167.8-101.4000113.4L125 F214 M218 L221 V291 E292L125-F295 HydrophobicContact CD1-CD1 4.15Å; L125-F295 HydrophobicContact CD1-CE1 3.93Å; L125-F295 HydrophobicContact CD1-CZ 4.14Å; L125-F295 HydrophobicContact CD2-CD2 4.28Å; L125-F295 HydrophobicContact CD2-CG 4.18Å; F214-F295 HydrophobicContact CE2-CB 4.4Å; F214-F295 HydrophobicContact CZ-CB 4.03Å; M218-F295 HydrophobicContact CE-CD2 4.06Å; M218-F295 HydrophobicContact CE-CE2 3.86Å; M218-F295 HydrophobicContact SD-CD2 3.43Å; M218-F295 WeakPolarHBondContact SD-CD2 3.38Å; M218-F295 HydrophobicContact SD-CE2 3.77Å; L221-F295 HydrophobicContact CD1-CD2 3.88Å; L221-F295 HydrophobicContact CD1-CE2 3.33Å; L221-F295 HydrophobicContact CD1-CZ 4.23Å; V291-F295 WeakPolarHBondContact O-CB 3.26Å; V291-F295 PolarHBondContact O-N 3.46Å; E292-F295 WeakPolarHBondContact O-CB 3.24Å; E292-F295 PolarHBondContact O-N 2.84Å
296A91.1Very high94.5Very high57 Ų5712 Ų1247%0.4718%0.075SC..Hα-helixtrans-69.1-35.7-178.900000112.9E292 L293 I294 T300E292-A296 WeakPolarHBondContact O-CB 3.45Å; E292-A296 PolarHBondContact O-N 3.33Å; L293-A296 PolarHBondContact O-N 2.85Å; I294-A296 PolarHBondContact O-N 3.26Å; A296-T300 PolarHBondContact O-OG1 3.37Å
297A91.8Very high94.9Very high13 Ų1311.7 Ų11.711%0.1077%0.073CC..Hα-helixtrans-88.2-20.4-174.400000114.2A193 L197 L293 I294 T301A193-A297 HydrophobicContact CB-CB 4.26Å; L197-A297 HydrophobicContact CD1-CB 4.06Å; L293-A297 WeakPolarHBondContact O-CB 3.4Å; L293-A297 PolarHBondContact O-N 3.42Å; L293-A297 VanDerWaalsContact O-N 3.09Å; I294-A297 PolarHBondContact O-N 2.8Å; A297-T301 WeakPolarHBondContact O-CB 3.33Å; A297-T301 PolarHBondContact O-OG1 3.34Å
298H93.8Very high95.1Very high2 Ų210.6 Ų10.61%0.0097%0.068CC..Hα-helixtrans-77.7-74.9-169179.864.8000113.9K186 T189 F214 I294 A302K186-H298 PolarHBondContact O-CE1 3.29Å; K186-H298 PolarHBondContact O-ND1 3.15Å; T189-H298 PolarHBondContact OG1-ND1 2.9Å; T189-H298 PolarHBondContact OG1-O 3.22Å; F214-H298 AromaticContact CD1-CD2 3.86Å; F214-H298 HydrophobicContact CE1-CB 4.02Å; F214-H298 AromaticContact CE1-CD2 3.53Å; F214-H298 AromaticContact CE1-CG 3.92Å; I294-H298 WeakPolarHBondContact O-CB 3.3Å; I294-H298 PolarHBondContact O-N 2.91Å; H298-A302 VanDerWaalsContact O-CB 3.24Å; H298-A302 WeakPolarHBondContact O-CB 3.2Å; H298-A302 PolarHBondContact O-N 3.26Å
299S93.6Very high95.3Very high15 Ų1510.4 Ų10.411%0.1057%0.067CC..Hα-helixtrans-73.3-34.7-168.6-58.40000114M218 S303M218-S299 WeakPolarHBondContact CE-OG 3.13Å; S299-S303 WeakPolarHBondContact O-CB 3.29Å; S299-S303 PolarHBondContact O-N 3.5Å
300T96.4Very high95.6Very high42 Ų4210.1 Ų10.126%0.2587%0.065SC..Hα-helixtrans-68-46.2-179.850.40000111.3A296 S303 A304 P420 V421 I532A296-T300 PolarHBondContact O-OG1 3.37Å; T300-S303 WeakPolarHBondContact O-CB 3.33Å; T300-S303 PolarHBondContact O-N 2.89Å; T300-A304 PolarHBondContact O-N 3.01Å; T300-P420 WeakPolarHBondContact O-CB 3.44Å; T300-P420 WeakPolarHBondContact O-CG 3.41Å; T300-V421 HydrophobicContact CG2-CG2 3.8Å; T300-I532 HydrophobicContact CG2-CD1 4.36Å
301T97.6Very high96Very high6 Ų610.1 Ų10.14%0.0377%0.065CC..Hα-helixtrans-69.1-39.1176.6-43.90000110.7T189 A297 S303 A304 S305 I503T189-T301 HydrophobicContact CG2-CG2 3.77Å; A297-T301 WeakPolarHBondContact O-CB 3.33Å; A297-T301 PolarHBondContact O-OG1 3.34Å; T301-S303 VanDerWaalsContact C-N 3.31Å; T301-S303 PolarHBondContact O-N 2.94Å; T301-A304 PolarHBondContact O-N 3.4Å; T301-S305 WeakPolarHBondContact O-CB 3.49Å; T301-S305 PolarHBondContact O-N 2.68Å; T301-S305 PolarHBondContact O-OG 2.98Å; T301-S305 VanDerWaalsContact O-OG 3.1Å; T301-I503 HydrophobicContact CG2-CB 4.09Å; T301-I503 HydrophobicContact CG2-CD1 3.92Å; T301-I503 HydrophobicContact CG2-CG2 3.68Å
302A97.9Very high96.2Very high0 Ų010 Ų100%07%0.065CC..Hα-helixtrans-62.5-41.7177.800000111.5A185 K186 T189 H298 T306A185-A302 HydrophobicContact CB-CB 4.08Å; K186-A302 HydrophobicContact CB-CB 4.42Å; K186-A302 HydrophobicContact CG-CB 3.84Å; T189-A302 HydrophobicContact CG2-CB 4.23Å; H298-A302 VanDerWaalsContact O-CB 3.24Å; H298-A302 WeakPolarHBondContact O-CB 3.2Å; H298-A302 PolarHBondContact O-N 3.26Å; A302-T306 WeakPolarHBondContact O-CB 3.41Å; A302-T306 PolarHBondContact O-N 2.89Å; A302-T306 PolarHBondContact O-OG1 2.84Å
303S98.3Very high96.4Very high0 Ų010.4 Ų10.40%07%0.067CC..Hα-helixtrans-58.8-48.2172168.30000112.4S299 T300 T301 T306 S307 P420 V533S299-S303 WeakPolarHBondContact O-CB 3.29Å; S299-S303 PolarHBondContact O-N 3.5Å; T300-S303 WeakPolarHBondContact O-CB 3.33Å; T300-S303 PolarHBondContact O-N 2.89Å; T301-S303 VanDerWaalsContact C-N 3.31Å; T301-S303 PolarHBondContact O-N 2.94Å; S303-T306 PolarHBondContact O-N 3.25Å; S303-S307 WeakPolarHBondContact O-CB 3.41Å; S303-S307 PolarHBondContact O-N 2.94Å; S303-S307 PolarHBondContact O-OG 2.59Å; S303-P420 WeakPolarHBondContact OG-CA 3.22Å; S303-V533 WeakPolarHBondContact CB-O 3.35Å; S303-V533 PolarHBondContact OG-O 2.84Å
304A98.6Very high96.6Very high3 Ų314.2 Ų14.23%0.0258%0.081CC..Hα-helixtrans-65.8-43.7178.500000112.3T300 T301 T306 S307 L308 L415 P420 L504T300-A304 PolarHBondContact O-N 3.01Å; T301-A304 PolarHBondContact O-N 3.4Å; A304-T306 PolarHBondContact O-N 3.13Å; A304-S307 PolarHBondContact O-N 2.81Å; A304-L308 WeakPolarHBondContact O-CB 3.36Å; A304-L308 PolarHBondContact O-N 3.28Å; A304-L415 HydrophobicContact CB-CD2 4.06Å; A304-P420 HydrophobicContact CB-CG 3.71Å; A304-L504 HydrophobicContact CB-CD1 3.83Å; A304-L504 HydrophobicContact CB-CD2 3.68Å; A304-L504 HydrophobicContact CB-CG 4.31Å
305S98.7Very high96.8Very high1 Ų116.9 Ų16.91%0.0079%0.093CC..Hα-helixtrans-60.7-44.2176-67.90000111.3T301 S307 L308 I309T301-S305 WeakPolarHBondContact O-CB 3.49Å; T301-S305 PolarHBondContact O-N 2.68Å; T301-S305 PolarHBondContact O-OG 2.98Å; T301-S305 VanDerWaalsContact O-OG 3.1Å; S305-S307 VanDerWaalsContact C-N 3.34Å; S305-S307 PolarHBondContact O-N 2.73Å; S305-L308 WeakPolarHBondContact O-CB 3.33Å; S305-L308 PolarHBondContact O-N 2.97Å; S305-I309 WeakPolarHBondContact O-CG1 3.32Å; S305-I309 PolarHBondContact O-N 3.31Å; S305-I309 VanDerWaalsContact O-N 3.1Å
306T98.7Very high97Very high1 Ų119.1 Ų19.11%0.00611%0.111CC..Hα-helixtrans-64.1-41.7176-54.30000111.3V181 Y182 A302 S303 A304 L308 I309 L310 P535 L539V181-T306 HydrophobicContact CG1-CG2 4.26Å; Y182-T306 WeakPolarHBondContact CA-OG1 3.43Å; Y182-T306 HydrophobicContact CD2-CG2 4.47Å; A302-T306 WeakPolarHBondContact O-CB 3.41Å; A302-T306 PolarHBondContact O-N 2.89Å; A302-T306 PolarHBondContact O-OG1 2.84Å; S303-T306 PolarHBondContact O-N 3.25Å; A304-T306 PolarHBondContact O-N 3.13Å; T306-L308 VanDerWaalsContact C-N 3.33Å; T306-L308 PolarHBondContact O-N 2.81Å; T306-I309 PolarHBondContact O-N 3.28Å; T306-L310 WeakPolarHBondContact O-CB 3.3Å; T306-L310 PolarHBondContact O-N 3.34Å; T306-P535 HydrophobicContact CG2-CG 4.05Å; T306-L539 HydrophobicContact CG2-CB 4.18Å; T306-L539 HydrophobicContact CG2-CD2 4.02Å
307S98.6Very high97.3Very high0 Ų019.3 Ų19.30%011%0.112CC..Hα-helixtrans-65.3-37.2177.2-59.30000111.6S303 A304 S305 L310 Q311S303-S307 WeakPolarHBondContact O-CB 3.41Å; S303-S307 PolarHBondContact O-N 2.94Å; S303-S307 PolarHBondContact O-OG 2.59Å; A304-S307 PolarHBondContact O-N 2.81Å; S305-S307 VanDerWaalsContact C-N 3.34Å; S305-S307 PolarHBondContact O-N 2.73Å; S307-L310 PolarHBondContact O-N 3.24Å; S307-Q311 VanDerWaalsContact O-CG 3.3Å; S307-Q311 WeakPolarHBondContact O-CG 3.39Å; S307-Q311 PolarHBondContact O-N 2.76Å
308L98.8Very high97.7Very high1 Ų119.3 Ų19.31%0.00511%0.111CC..Hα-helixtrans-59.1-54.3173.2172.967000110.8A304 S305 T306 L310 Q311 L312 V410 V414 L504 L507 A508A304-L308 WeakPolarHBondContact O-CB 3.36Å; A304-L308 PolarHBondContact O-N 3.28Å; S305-L308 WeakPolarHBondContact O-CB 3.33Å; S305-L308 PolarHBondContact O-N 2.97Å; T306-L308 VanDerWaalsContact C-N 3.33Å; T306-L308 PolarHBondContact O-N 2.81Å; L308-L310 VanDerWaalsContact C-N 3.29Å; L308-L310 PolarHBondContact O-N 3.41Å; L308-Q311 PolarHBondContact O-N 2.98Å; L308-L312 HydrophobicContact CD1-CD1 3.91Å; L308-L312 HydrophobicContact CD1-CG 4.11Å; L308-L312 HydrophobicContact CG-CD1 4.01Å; L308-L312 VanDerWaalsContact O-CG 3.3Å; L308-L312 WeakPolarHBondContact O-CG 3.3Å; L308-L312 PolarHBondContact O-N 3.01Å; L308-V410 HydrophobicContact CD1-CG1 3.93Å; L308-V414 HydrophobicContact CB-CG1 4.35Å; L308-V414 HydrophobicContact CB-CG2 4.4Å; L308-V414 HydrophobicContact CD1-CG2 4.02Å; L308-L504 HydrophobicContact CD2-CD2 4.41Å; L308-L504 WeakPolarHBondContact CD2-O 3.48Å; L308-L507 HydrophobicContact CD2-CD2 4.34Å; L308-L507 HydrophobicContact CD2-CG 4.45Å; L308-A508 HydrophobicContact CD2-CB 3.98Å
309I98.6Very high97.8Very high1 Ų119.9 Ų19.91%0.00511%0.114CC..Hα-helixtrans-59.6-41.6178.4-58-56.6000111.4V181 S305 T306 Q311 L312 L313 V511 L539 F543V181-I309 HydrophobicContact CG1-CB 4.09Å; V181-I309 HydrophobicContact CG1-CG1 4.01Å; V181-I309 HydrophobicContact CG1-CG2 4.28Å; V181-I309 HydrophobicContact CG2-CG2 4.29Å; S305-I309 WeakPolarHBondContact O-CG1 3.32Å; S305-I309 PolarHBondContact O-N 3.31Å; S305-I309 VanDerWaalsContact O-N 3.1Å; T306-I309 PolarHBondContact O-N 3.28Å; I309-Q311 PolarHBondContact O-N 3.48Å; I309-L312 PolarHBondContact O-N 2.96Å; I309-L313 HydrophobicContact CG2-CD1 4.19Å; I309-L313 WeakPolarHBondContact O-CB 3.19Å; I309-L313 WeakPolarHBondContact O-CG 3.46Å; I309-L313 PolarHBondContact O-N 3.01Å; I309-V511 HydrophobicContact CD1-CB 4.34Å; I309-V511 HydrophobicContact CD1-CG1 3.98Å; I309-V511 HydrophobicContact CD1-CG2 3.95Å; I309-L539 HydrophobicContact CB-CD2 4.44Å; I309-L539 HydrophobicContact CG2-CD2 4.29Å; I309-F543 HydrophobicContact CG2-CZ 4.32Å
310L98.5Very high98Very high1 Ų124.5 Ų24.51%0.00514%0.135CC..Hα-helixtrans-58.6-46.8176.5177.262.3000112.3T306 S307 L308 L313 R314 L418 F524 M527 L539T306-L310 WeakPolarHBondContact O-CB 3.3Å; T306-L310 PolarHBondContact O-N 3.34Å; S307-L310 PolarHBondContact O-N 3.24Å; L308-L310 VanDerWaalsContact C-N 3.29Å; L308-L310 PolarHBondContact O-N 3.41Å; L310-L313 PolarHBondContact O-N 2.71Å; L310-R314 WeakPolarHBondContact O-CG 3.38Å; L310-R314 PolarHBondContact O-N 3.1Å; L310-R314 VanDerWaalsContact O-N 3.14Å; L310-L418 HydrophobicContact CD2-CD1 4.26Å; L310-F524 HydrophobicContact CD1-CB 4.45Å; L310-F524 HydrophobicContact CD1-CD1 3.43Å; L310-F524 VanDerWaalsContact CD1-CD1 3.43Å; L310-F524 HydrophobicContact CD1-CE1 4.03Å; L310-F524 HydrophobicContact CD1-CG 4.27Å; L310-M527 HydrophobicContact CD2-CE 4.16Å; L310-M527 HydrophobicContact CD2-CG 4.2Å; L310-M527 HydrophobicContact CD2-SD 3.59Å; L310-M527 VanDerWaalsContact CD2-SD 3.59Å; L310-L539 HydrophobicContact CB-CD2 3.94Å; L310-L539 HydrophobicContact CD1-CD1 4.14Å
311Q98.4Very high98Very high3 Ų327 Ų271%0.01414%0.142CC..Hα-helixtrans-72.5-38.1-178.8-63.3-52-36.100111.5S307 L308 I309 L313 R314 H315 V414 F465S307-Q311 VanDerWaalsContact O-CG 3.3Å; S307-Q311 WeakPolarHBondContact O-CG 3.39Å; S307-Q311 PolarHBondContact O-N 2.76Å; L308-Q311 PolarHBondContact O-N 2.98Å; I309-Q311 PolarHBondContact O-N 3.48Å; Q311-L313 VanDerWaalsContact C-N 3.31Å; Q311-L313 PolarHBondContact O-N 3.33Å; Q311-R314 PolarHBondContact O-N 3.29Å; Q311-R314 VanDerWaalsContact O-N 3.14Å; Q311-H315 WeakPolarHBondContact O-CB 3.46Å; Q311-H315 PolarHBondContact O-CD2 3.36Å; Q311-H315 PolarHBondContact O-N 2.85Å; Q311-H315 PolarHBondContact OE1-NE2 2.95Å; Q311-V414 HydrophobicContact CB-CG2 4.32Å; Q311-V414 HydrophobicContact CG-CG2 4.32Å; Q311-F465 HydrophobicContact CB-CD1 4.33Å; Q311-F465 HydrophobicContact CB-CD2 4.11Å; Q311-F465 HydrophobicContact CB-CE1 3.94Å; Q311-F465 HydrophobicContact CB-CE2 3.7Å; Q311-F465 HydrophobicContact CB-CG 4.42Å; Q311-F465 HydrophobicContact CB-CZ 3.61Å; Q311-F465 HydrophobicContact CG-CD2 3.74Å; Q311-F465 HydrophobicContact CG-CE2 3.57Å; Q311-F465 HydrophobicContact CG-CG 4.34Å; Q311-F465 HydrophobicContact CG-CZ 4.06Å
312L98.3Very high98Very high1 Ų126.7 Ų26.71%0.00514%0.14CC..Hα-helixtrans-60.7-40.3173.7-66.9176.4000111.7L308 I309 R314 H315 V318 V319 V410 I512 W517L308-L312 HydrophobicContact CD1-CD1 3.91Å; L308-L312 HydrophobicContact CD1-CG 4.11Å; L308-L312 HydrophobicContact CG-CD1 4.01Å; L308-L312 VanDerWaalsContact O-CG 3.3Å; L308-L312 WeakPolarHBondContact O-CG 3.3Å; L308-L312 PolarHBondContact O-N 3.01Å; I309-L312 PolarHBondContact O-N 2.96Å; L312-R314 VanDerWaalsContact C-N 3.35Å; L312-R314 PolarHBondContact O-N 2.99Å; L312-H315 PolarHBondContact O-N 3.03Å; L312-V318 HydrophobicContact CD2-CG1 4.33Å; L312-V319 HydrophobicContact CB-CG2 4Å; L312-V319 HydrophobicContact CD2-CG2 4.04Å; L312-V319 WeakPolarHBondContact O-CG2 3.48Å; L312-V410 HydrophobicContact CD2-CG1 4.14Å; L312-I512 HydrophobicContact CD1-CD1 4.01Å; L312-I512 HydrophobicContact CD1-CG1 4.09Å; L312-I512 HydrophobicContact CD2-CD1 4.14Å; L312-W517 HydrophobicContact CB-CZ2 4.13Å
313L97.4Very high97.9Very high24 Ų2429.8 Ų29.813%0.12616%0.155CC..Hα-helixtrans-61.8-38.7173-86166.4000113.6I309 L310 Q311 H315 W517 F524 L539 V541I309-L313 HydrophobicContact CG2-CD1 4.19Å; I309-L313 WeakPolarHBondContact O-CB 3.19Å; I309-L313 WeakPolarHBondContact O-CG 3.46Å; I309-L313 PolarHBondContact O-N 3.01Å; L310-L313 PolarHBondContact O-N 2.71Å; Q311-L313 VanDerWaalsContact C-N 3.31Å; Q311-L313 PolarHBondContact O-N 3.33Å; L313-H315 VanDerWaalsContact C-N 3.34Å; L313-W517 HydrophobicContact CD2-CG 4.41Å; L313-W517 VanDerWaalsContact CG-CD1 3.46Å; L313-F524 HydrophobicContact CB-CE1 3.79Å; L313-F524 HydrophobicContact CB-CZ 4.18Å; L313-F524 HydrophobicContact CD1-CE1 4.46Å; L313-L539 HydrophobicContact CD1-CD1 4.36Å; L313-V541 HydrophobicContact CD1-CG1 4.32Å; L313-V541 HydrophobicContact CD1-CG2 3.64Å
314R97.5Very high97.8Very high91 Ų9135.1 Ų35.134%0.34318%0.182SC..Hα-helixtrans-77.1-21.5-177.5-76.9178.5172.9-171.10.3113.4L310 Q311 L312 F524L310-R314 WeakPolarHBondContact O-CG 3.38Å; L310-R314 PolarHBondContact O-N 3.1Å; L310-R314 VanDerWaalsContact O-N 3.14Å; Q311-R314 PolarHBondContact O-N 3.29Å; Q311-R314 VanDerWaalsContact O-N 3.14Å; L312-R314 VanDerWaalsContact C-N 3.35Å; L312-R314 PolarHBondContact O-N 2.99Å; R314-F524 HydrophobicContact CB-CZ 4.36Å; R314-F524 HydrophobicContact CG-CD1 3.97Å; R314-F524 HydrophobicContact CG-CD2 4.01Å; R314-F524 HydrophobicContact CG-CE1 3.59Å; R314-F524 HydrophobicContact CG-CE2 3.65Å; R314-F524 HydrophobicContact CG-CG 4.15Å; R314-F524 HydrophobicContact CG-CZ 3.42Å; R314-F524 VanDerWaalsContact CG-CZ 3.42Å; R314-F524 VanDerWaalsContact NH2-CB 3.27Å
315H98.1Very high97.6Very high58 Ų5836.2 Ų36.227%0.26919%0.186SC..  trans-129.973.5-169.8-60.2-76.1000111.7Q311 L312 L313 A317 V318 V319 F465Q311-H315 WeakPolarHBondContact O-CB 3.46Å; Q311-H315 PolarHBondContact O-CD2 3.36Å; Q311-H315 PolarHBondContact O-N 2.85Å; Q311-H315 PolarHBondContact OE1-NE2 2.95Å; L312-H315 PolarHBondContact O-N 3.03Å; L313-H315 VanDerWaalsContact C-N 3.34Å; H315-A317 VanDerWaalsContact C-N 3.27Å; H315-A317 PolarHBondContact O-N 2.95Å; H315-V318 HydrophobicContact CB-CB 3.98Å; H315-V318 HydrophobicContact CB-CG2 3.77Å; H315-V318 WeakPolarHBondContact O-CA 3.49Å; H315-V318 VanDerWaalsContact O-CB 3.32Å; H315-V318 WeakPolarHBondContact O-CB 3.18Å; H315-V318 PolarHBondContact O-N 2.66Å; H315-V319 PolarHBondContact O-N 3.34Å; H315-F465 HydrophobicContact CB-CD1 4.45Å; H315-F465 AromaticContact CD2-CD1 3.39Å; H315-F465 WeakPolarHBondContact CD2-CD1 3.21Å; H315-F465 AromaticContact CD2-CG 3.92Å; H315-F465 AromaticContact CG-CD1 3.83Å; H315-F465 AromaticContact NE2-CD1 3.8Å; H315-F465 AromaticContact NE2-CG 3.91Å
316P96.9Very high97.5Very high81 Ų8136.2 Ų36.253%0.52619%0.186SC..Hα-helixtrans-54.2-38.8178.8-27.235.3000113.9V318 V319 E320P316-V318 PolarHBondContact O-N 2.99Å; P316-V319 WeakPolarHBondContact O-CA 3.27Å; P316-V319 VanDerWaalsContact O-CB 3.32Å; P316-V319 WeakPolarHBondContact O-CB 3.49Å; P316-V319 PolarHBondContact O-N 2.8Å; P316-E320 PolarHBondContact O-N 3.07Å
317A97.9Very high97.1Very high61 Ų6142.4 Ų42.450%0.50422%0.215SC..Hα-helixtrans-61-27.9175.900000113.4H315 K321H315-A317 VanDerWaalsContact C-N 3.27Å; H315-A317 PolarHBondContact O-N 2.95Å; A317-K321 WeakPolarHBondContact O-CG 3.21Å; A317-K321 PolarHBondContact O-N 3.11Å
318V98.3Very high96.8Very high13 Ų1346.6 Ų46.68%0.07925%0.245CC..Hα-helixtrans-72.5-38.9172.4171.40000110.3L312 H315 P316 A322 Y406 V410 F465 P467L312-V318 HydrophobicContact CD2-CG1 4.33Å; H315-V318 HydrophobicContact CB-CB 3.98Å; H315-V318 HydrophobicContact CB-CG2 3.77Å; H315-V318 WeakPolarHBondContact O-CA 3.49Å; H315-V318 VanDerWaalsContact O-CB 3.32Å; H315-V318 WeakPolarHBondContact O-CB 3.18Å; H315-V318 PolarHBondContact O-N 2.66Å; P316-V318 PolarHBondContact O-N 2.99Å; V318-A322 WeakPolarHBondContact O-CB 3.01Å; V318-A322 PolarHBondContact O-N 3.05Å; V318-A322 VanDerWaalsContact O-N 3.08Å; V318-Y406 HydrophobicContact CG1-CE1 4.23Å; V318-Y406 WeakPolarHBondContact O-CE1 3.41Å; V318-V410 HydrophobicContact CG1-CG1 4.42Å; V318-V410 HydrophobicContact CG1-CG2 3.6Å; V318-F465 HydrophobicContact CG1-CE1 4.45Å; V318-F465 HydrophobicContact CG2-CE1 4.32Å; V318-P467 HydrophobicContact CG1-CG 3.87Å; V318-P467 HydrophobicContact CG2-CG 3.92Å
319V97.8Very high96.5Very high14 Ų1449.1 Ų49.19%0.08526%0.256CS..Hα-helixtrans-62.9-46175.5-1780000110.5L312 H315 P316 K321 A322 Q323 I512 W517L312-V319 HydrophobicContact CB-CG2 4Å; L312-V319 HydrophobicContact CD2-CG2 4.04Å; L312-V319 WeakPolarHBondContact O-CG2 3.48Å; H315-V319 PolarHBondContact O-N 3.34Å; P316-V319 WeakPolarHBondContact O-CA 3.27Å; P316-V319 VanDerWaalsContact O-CB 3.32Å; P316-V319 WeakPolarHBondContact O-CB 3.49Å; P316-V319 PolarHBondContact O-N 2.8Å; V319-K321 PolarHBondContact O-N 2.89Å; V319-A322 CarbonylContact O-C 3.58Å; V319-A322 WeakPolarHBondContact O-CB 3.49Å; V319-A322 PolarHBondContact O-N 3.46Å; V319-A322 VanDerWaalsContact O-N 3.11Å; V319-Q323 HydrophobicContact CG1-CG 4.31Å; V319-Q323 WeakPolarHBondContact O-CG 3.01Å; V319-Q323 PolarHBondContact O-N 3.3Å; V319-I512 HydrophobicContact CG1-CG2 4.21Å; V319-W517 HydrophobicContact CG1-CH2 3.87Å; V319-W517 HydrophobicContact CG1-CZ2 4.16Å; V319-W517 HydrophobicContact CG2-CZ2 4.03Å
320E96.6Very high95.9Very high113 Ų11351.4 Ų51.453%0.52828%0.28SS..Hα-helixtrans-57.4-48.4178.4-70.4169.1-166.200112.1P316 A322 Q323 I324P316-E320 PolarHBondContact O-N 3.07Å; E320-A322 VanDerWaalsContact C-N 3.3Å; E320-A322 PolarHBondContact O-N 3.5Å; E320-Q323 WeakPolarHBondContact O-CB 3.28Å; E320-Q323 PolarHBondContact O-N 3.22Å; E320-I324 WeakPolarHBondContact O-CG1 3.41Å; E320-I324 PolarHBondContact O-N 2.82Å; E320-I324 VanDerWaalsContact O-N 3.08Å
321K97.4Very high95.3Very high93 Ų9351.5 Ų51.540%0.40428%0.281SS..Hα-helixtrans-60.8-39175.4-74.9-178.4175.7-166.50112.6A317 V319 E325 Y406 D468A317-K321 WeakPolarHBondContact O-CG 3.21Å; A317-K321 PolarHBondContact O-N 3.11Å; V319-K321 PolarHBondContact O-N 2.89Å; K321-E325 PolarHBondContact O-N 3.36Å; K321-Y406 HydrophobicContact CB-CD1 4.01Å; K321-Y406 HydrophobicContact CB-CE1 3.38Å; K321-Y406 HydrophobicContact CB-CE2 4.32Å; K321-Y406 HydrophobicContact CD-CE1 4.41Å; K321-Y406 HydrophobicContact CD-CE2 4.02Å; K321-Y406 WeakPolarHBondContact CD-OH 3.39Å; K321-D468 IonicContact NZ-OD1 3.61Å; K321-D468 IonicContact NZ-OD2 3.33Å; K321-D468 PolarHBondContact NZ-OD2 3.34Å
322A97.1Very high93.9Very high0 Ų052.3 Ų52.30%029%0.29CS..Hα-helixtrans-68-38.4176.900000112V318 V319 E320 E325 L326 Y406 I407 I512V318-A322 WeakPolarHBondContact O-CB 3.01Å; V318-A322 PolarHBondContact O-N 3.05Å; V318-A322 VanDerWaalsContact O-N 3.08Å; V319-A322 CarbonylContact O-C 3.58Å; V319-A322 WeakPolarHBondContact O-CB 3.49Å; V319-A322 PolarHBondContact O-N 3.46Å; V319-A322 VanDerWaalsContact O-N 3.11Å; E320-A322 VanDerWaalsContact C-N 3.3Å; E320-A322 PolarHBondContact O-N 3.5Å; A322-E325 WeakPolarHBondContact O-CB 3.29Å; A322-E325 PolarHBondContact O-N 3.19Å; A322-L326 WeakPolarHBondContact O-CG 3.24Å; A322-L326 PolarHBondContact O-N 3.22Å; A322-Y406 HydrophobicContact CB-CD1 3.98Å; A322-Y406 HydrophobicContact CB-CE1 4.09Å; A322-I407 HydrophobicContact CB-CD1 3.77Å; A322-I512 HydrophobicContact CB-CD1 3.82Å
323Q95.3Very high92Very high66 Ų6654.9 Ų54.931%0.30830%0.3SS..Hα-helixtrans-60.7-45.4174.6-73.6172-35.400111.6V319 E320 E325 L326 E327 I512V319-Q323 HydrophobicContact CG1-CG 4.31Å; V319-Q323 WeakPolarHBondContact O-CG 3.01Å; V319-Q323 PolarHBondContact O-N 3.3Å; E320-Q323 WeakPolarHBondContact O-CB 3.28Å; E320-Q323 PolarHBondContact O-N 3.22Å; Q323-E325 VanDerWaalsContact C-N 3.28Å; Q323-E325 PolarHBondContact O-N 3.39Å; Q323-L326 PolarHBondContact O-N 3.42Å; Q323-L326 VanDerWaalsContact O-N 3.1Å; Q323-E327 WeakPolarHBondContact O-CG 3.44Å; Q323-E327 PolarHBondContact O-N 3.13Å; Q323-I512 HydrophobicContact CB-CG2 4.44Å; Q323-I512 HydrophobicContact CG-CG2 3.35Å
324I95.7Very high89.7Confident112 Ų11258.6 Ų58.657%0.57432%0.32SS*.Hα-helixtrans-57.1-42.7175.3-65.5166.2000111.1E320 S328E320-I324 WeakPolarHBondContact O-CG1 3.41Å; E320-I324 PolarHBondContact O-N 2.82Å; E320-I324 VanDerWaalsContact O-N 3.08Å; I324-S328 WeakPolarHBondContact O-CB 3.5Å; I324-S328 PolarHBondContact O-N 3.35Å; I324-S328 PolarHBondContact O-OG 3.09Å
325E96.2Very high87.1Confident25 Ų2556.8 Ų56.812%0.11732%0.324CS..Hα-helixtrans-62-47.5174.9176.9172.4-10900111.6K321 A322 Q323 E327 S328 E329 L404 R405 Y406 I407K321-E325 PolarHBondContact O-N 3.36Å; A322-E325 WeakPolarHBondContact O-CB 3.29Å; A322-E325 PolarHBondContact O-N 3.19Å; Q323-E325 VanDerWaalsContact C-N 3.28Å; Q323-E325 PolarHBondContact O-N 3.39Å; E325-E327 PolarHBondContact O-N 2.93Å; E325-S328 PolarHBondContact O-N 3.37Å; E325-S328 PolarHBondContact O-OG 3.24Å; E325-E329 PolarHBondContact O-N 3.47Å; E325-E329 VanDerWaalsContact O-N 3.14Å; E325-L404 HydrophobicContact CG-CD2 3.99Å; E325-R405 WeakPolarHBondContact OE1-CA 3.43Å; E325-R405 PolarHBondContact OE1-N 2.83Å; E325-Y406 VanDerWaalsContact CD-N 3.31Å; E325-Y406 PolarHBondContact OE1-N 2.94Å; E325-Y406 WeakPolarHBondContact OE2-CB 3.36Å; E325-Y406 PolarHBondContact OE2-N 3.2Å; E325-Y406 VanDerWaalsContact OE2-N 3.15Å; E325-I407 WeakPolarHBondContact OE2-CG1 3.5Å; E325-I407 PolarHBondContact OE2-N 3.31Å
326L94.7Very high84.2Confident2 Ų261.6 Ų61.61%0.0135%0.346CS..Hα-helixtrans-59.8-44.7179.2-64.4-176.3000111.8A322 Q323 E329 G330 L331 G332 L404 I407 V509 I512A322-L326 WeakPolarHBondContact O-CG 3.24Å; A322-L326 PolarHBondContact O-N 3.22Å; Q323-L326 PolarHBondContact O-N 3.42Å; Q323-L326 VanDerWaalsContact O-N 3.1Å; L326-E329 PolarHBondContact O-N 3.26Å; L326-G330 PolarHBondContact O-N 2.82Å; L326-L331 HydrophobicContact CB-CB 4.2Å; L326-L331 HydrophobicContact CD2-CB 4.27Å; L326-L331 HydrophobicContact CD2-CD1 4.17Å; L326-L331 CarbonylContact O-C 3.45Å; L326-L331 WeakPolarHBondContact O-CA 3.22Å; L326-L331 WeakPolarHBondContact O-CB 3.45Å; L326-L331 PolarHBondContact O-N 3.41Å; L326-G332 PolarHBondContact O-N 2.82Å; L326-L404 HydrophobicContact CD2-CD1 4.19Å; L326-L404 HydrophobicContact CD2-CD2 4Å; L326-I407 HydrophobicContact CD2-CG1 4.45Å; L326-V509 HydrophobicContact CD2-CB 4.42Å; L326-V509 HydrophobicContact CD2-CG1 4.26Å; L326-V509 HydrophobicContact CD2-CG2 3.89Å; L326-I512 HydrophobicContact CD1-CB 3.97Å; L326-I512 HydrophobicContact CD1-CG2 3.76Å
327E91.4Very high81.5Confident130 Ų13060.7 Ų60.761%0.60734%0.342SS*.Hα-helixtrans-59.8-47.2176.2-72.4172-171.200111.6Q323 E325 E329 G330Q323-E327 WeakPolarHBondContact O-CG 3.44Å; Q323-E327 PolarHBondContact O-N 3.13Å; E325-E327 PolarHBondContact O-N 2.93Å; E327-E329 PolarHBondContact O-N 3.38Å; E327-G330 PolarHBondContact O-N 2.92Å; E327-G330 VanDerWaalsContact O-N 3.08Å
328S92.3Very high78.5Confident89 Ų8960.6 Ų60.662%0.62234%0.341SS*.Hα-helixtrans-61.9-25.8179.674.10000113.7I324 E325I324-S328 WeakPolarHBondContact O-CB 3.5Å; I324-S328 PolarHBondContact O-N 3.35Å; I324-S328 PolarHBondContact O-OG 3.09Å; E325-S328 PolarHBondContact O-N 3.37Å; E325-S328 PolarHBondContact O-OG 3.24Å
329E91.5Very high75.3Confident54 Ų5467.3 Ų67.325%0.25237%0.371SS..THydrogen-bonded Turntrans-96.46.1-179.5-73.3-67.5163.800113.4E325 L326 E327 L331 K400 Q403 L404E325-E329 PolarHBondContact O-N 3.47Å; E325-E329 VanDerWaalsContact O-N 3.14Å; L326-E329 PolarHBondContact O-N 3.26Å; E327-E329 PolarHBondContact O-N 3.38Å; E329-L331 VanDerWaalsContact C-N 3.29Å; E329-K400 HydrophobicContact CB-CD 4.21Å; E329-K400 PolarHBondContact O-NZ 3.48Å; E329-K400 IonicContact OE2-NZ 3.13Å; E329-K400 PolarHBondContact OE2-NZ 2.92Å; E329-Q403 PolarHBondContact OE2-OE1 3.38Å; E329-L404 HydrophobicContact CB-CD2 4.14Å; E329-L404 HydrophobicContact CG-CD2 4.01Å
330G87Confident71.9Confident48 Ų4870.4 Ų70.450%0.49539%0.394SS..THydrogen-bonded Turntrans70.724-178.600000113.5L326 E327L326-G330 PolarHBondContact O-N 2.82Å; E327-G330 PolarHBondContact O-N 2.92Å; E327-G330 VanDerWaalsContact O-N 3.08Å
331L85.6Confident68.6Low4 Ų470.9 Ų70.92%0.02141%0.408CS..  trans-106.910.2173.3-57.5179.7000111.8L326 E329 I393 P394 L396 K400 L404 V509L326-L331 HydrophobicContact CB-CB 4.2Å; L326-L331 HydrophobicContact CD2-CB 4.27Å; L326-L331 HydrophobicContact CD2-CD1 4.17Å; L326-L331 CarbonylContact O-C 3.45Å; L326-L331 WeakPolarHBondContact O-CA 3.22Å; L326-L331 WeakPolarHBondContact O-CB 3.45Å; L326-L331 PolarHBondContact O-N 3.41Å; E329-L331 VanDerWaalsContact C-N 3.29Å; L331-I393 HydrophobicContact CD2-CG2 4.34Å; L331-I393 WeakPolarHBondContact O-CD1 3.24Å; L331-P394 HydrophobicContact CD2-CG 3.62Å; L331-L396 HydrophobicContact CD1-CD2 3.95Å; L331-L396 HydrophobicContact CD2-CD2 3.98Å; L331-K400 HydrophobicContact CD1-CD 4.07Å; L331-K400 HydrophobicContact CD1-CG 3.91Å; L331-K400 HydrophobicContact CD2-CD 4.46Å; L331-K400 HydrophobicContact CD2-CG 4.19Å; L331-K400 HydrophobicContact CG-CD 4.25Å; L331-K400 HydrophobicContact CG-CG 4.33Å; L331-L404 HydrophobicContact CD1-CD1 3.99Å; L331-L404 HydrophobicContact CD1-CD2 4.04Å; L331-L404 HydrophobicContact CD1-CG 4.45Å; L331-V509 HydrophobicContact CD1-CG1 4.25Å
332G68.9Low65.3Low20 Ų2071.7 Ų71.721%0.20643%0.425CS..SBendtrans-85.5178.9169.400000111.9L326 D334L326-G332 PolarHBondContact O-N 2.82Å; G332-D334 PolarHBondContact O-N 3.41Å
333Y58.9Low61.9Low54 Ų5476 Ų7621%0.21246%0.455CS..  trans-76.6119.6171.9175.2-104.8000111.2A335 L549 R550Y333-A335 HydrophobicContact CD1-CB 4.35Å; Y333-A335 HydrophobicContact CE1-CB 3.73Å; Y333-L549 HydrophobicContact CD1-CB 4.06Å; Y333-L549 HydrophobicContact CD1-CD2 3.65Å; Y333-L549 HydrophobicContact CD1-CG 4.41Å; Y333-L549 HydrophobicContact CD2-CB 3.48Å; Y333-L549 VanDerWaalsContact CD2-CB 3.48Å; Y333-L549 HydrophobicContact CD2-CD2 4.2Å; Y333-L549 HydrophobicContact CD2-CG 4.22Å; Y333-L549 HydrophobicContact CE1-CB 4.27Å; Y333-L549 HydrophobicContact CE2-CB 3.73Å; Y333-L549 WeakPolarHBondContact CE2-O 3.31Å; Y333-L549 HydrophobicContact CG-CB 3.64Å; Y333-L549 HydrophobicContact CG-CD1 4.42Å; Y333-L549 HydrophobicContact CG-CD2 3.43Å; Y333-L549 VanDerWaalsContact CG-CD2 3.43Å; Y333-L549 HydrophobicContact CG-CG 3.95Å; Y333-L549 PolarHBondContact OH-O 2.82Å; Y333-R550 PolarHBondContact OH-N 3.04Å; Y333-R550 PolarHBondContact OH-OXT 2.7Å
334D49.1Very low59.1Low103 Ų10382.6 Ų82.655%0.55148%0.483SS*.  trans-96.797.7171.9-108-22.8000110.4G332 H336 S337G332-D334 PolarHBondContact O-N 3.41Å; D334-H336 PolarHBondContact O-N 2.63Å; D334-H336 VanDerWaalsContact O-N 3.11Å; D334-S337 PolarHBondContact O-N 3.28Å; D334-S337 VanDerWaalsContact O-N 3.11Å; D334-S337 PolarHBondContact O-OG 2.8Å
335A41.9Very low55.9Low52 Ų5285.6 Ų85.643%0.4350%0.495SS..THydrogen-bonded Turntrans-56.1-25.4173.200000112.8Y333Y333-A335 HydrophobicContact CD1-CB 4.35Å; Y333-A335 HydrophobicContact CE1-CB 3.73Å
336H37.8Very low52.7Low160 Ų16091.8 Ų91.874%0.74153%0.528SS*.THydrogen-bonded Turntrans-76.7-23.3180-72.6-62.9000114.1D334D334-H336 PolarHBondContact O-N 2.63Å; D334-H336 VanDerWaalsContact O-N 3.11Å
337S40.3Very low49.8Very low62 Ų6295.1 Ų95.143%0.43456%0.563SS.*THydrogen-bonded Turntrans-77.3-22.2179.968.80000113.4D334 H339 S340D334-S337 PolarHBondContact O-N 3.28Å; D334-S337 VanDerWaalsContact O-N 3.11Å; D334-S337 PolarHBondContact O-OG 2.8Å; S337-H339 VanDerWaalsContact C-N 3.29Å; S337-H339 PolarHBondContact O-N 2.88Å; S337-S340 PolarHBondContact O-OG 3.2Å
338A34.9Very low46.7Very low59 Ų5997.5 Ų97.549%0.48858%0.579SS.*THydrogen-bonded Turntrans-70.3-25.5175.600000112.7
339H30.3Very low43.5Very low154 Ų154101.3 Ų101.371%0.71359%0.593SS**THydrogen-bonded Turntrans-87.1-17179.1-80.3-63.9000114.4S337S337-H339 VanDerWaalsContact C-N 3.29Å; S337-H339 PolarHBondContact O-N 2.88Å
340S27.2Very low40.2Very low79 Ų79104.6 Ų104.655%0.55262%0.62SS**G310 helixtrans-84.4-10.6177.762.30000114S337 S342 S343S337-S340 PolarHBondContact O-OG 3.2Å; S340-S342 VanDerWaalsContact C-N 3.28Å; S340-S342 PolarHBondContact O-N 3Å; S340-S343 PolarHBondContact O-OG 2.81Å
341C27.5Very low37.2Very low122 Ų122107.7 Ų107.782%0.82463%0.632SS**G310 helixtrans-83.23175.3-117.80000114.1
342S28.3Very low34.4Very low111 Ų111115.8 Ų115.878%0.77667%0.674SS**G310 helixtrans-97.91.7175.41240000114.4S340S340-S342 VanDerWaalsContact C-N 3.28Å; S340-S342 PolarHBondContact O-N 3Å
343S25.2Very low32.3Very low90 Ų90119.7 Ų119.763%0.62970%0.704SS**SBendtrans-107.1105.4177.218.80000110S340 E345S340-S343 PolarHBondContact O-OG 2.81Å; S343-E345 PolarHBondContact O-N 2.91Å
344K35.9Very low30.8Very low205 Ų205123.5 Ų123.589%0.89173%0.733SS**  trans-48.7120.7164.8-71.5175174.1177.60109.5
345E28Very low29.7Very low175 Ų175127.7 Ų127.782%0.81875%0.749SS**  trans-165.4114.7141.9-111.7170.1-172.300112.9S343S343-E345 PolarHBondContact O-N 2.91Å
346N29.3Very low28.9Very low154 Ų154134.6 Ų134.682%0.82477%0.773SS**  trans55.992.4143.9-61.2-16.9000120.9
347G34.2Very low28.3Very low72 Ų72130.6 Ų130.674%0.74278%0.775SS**  77.978.3111.900000118.3
348L25.9Very low27.5Very low180 Ų180137.3 Ų137.394%0.94280%0.8SS**  trans-139.1112.6145.1-111.899.1000108.4C350L348-C350 PolarHBondContact O-N 3.47Å
349N25Very low27.1Very low169 Ų169143.8 Ų143.890%0.90482%0.819SS**PPolyproline II helixtrans-66.3126.2-178.1-86.9-13.1000111.6
350C22.3Very low26.7Very low124 Ų124148 Ų14884%0.83883%0.829SS**PPolyproline II helixtrans-96.3122.6156.3-145.90000107L348 L352L348-C350 PolarHBondContact O-N 3.47Å; C350-L352 PolarHBondContact O-N 2.86Å
351P25.5Very low26.9Very low112 Ų112149.9 Ų149.973%0.72784%0.839SS**PPolyproline II helixtrans-82.7119.3-176.131-28.3000109.1
352L26.8Very low26.8Very low174 Ų174152.2 Ų152.291%0.91184%0.843SS**  trans164.689.7144.6-86.1157.4000108.2C350C350-L352 PolarHBondContact O-N 2.86Å
353A24.2Very low26.6Very low102 Ų102154 Ų15484%0.84384%0.843SS**  trans-122.2122.716300000107.6
354V27.1Very low26.7Very low135 Ų135153.9 Ų153.982%0.81885%0.848SS**PPolyproline II helixtrans-83.5128.5178.1173.70000108.2
355E26.5Very low26.2Very low190 Ų190152.5 Ų152.589%0.88885%0.845SS**PPolyproline II helixtrans-74.2128.8172.3-70.8-174.7155.100110.3
356Q25.2Very low26Very low197 Ų197150.7 Ų150.792%0.92185%0.846SS**PPolyproline II helixtrans-87.2129.2174.6-72.3179.6-13.800110.5
357G24.3Very low26.2Very low77 Ų77149.8 Ų149.879%0.79485%0.846SS**  trans-118.6148.517200000112.2
358E25Very low25.9Very low203 Ų203152.5 Ų152.595%0.94985%0.851SS**  trans-66.9153.1-159-61.2170.9134.100118.1
359H25.6Very low25.9Very low195 Ų195152.2 Ų152.290%0.90385%0.849SS**  trans-70.3143.5175-90.4-65.2000115.1
360R22.5Very low26Very low241 Ų241152.8 Ų152.891%0.90985%0.849SS**  trans-144.5145.1148.7-105.2-173.8-166179.65.4111.4
361P30.2Very low26.2Very low119 Ų119155 Ų15577%0.77385%0.852SS**  trans-99.7151.4-176.837.5-30.2000112.4
362L26.9Very low26.4Very low172 Ų172153 Ų15390%0.90185%0.852SS**  trans-154.9153.5162.8-97.7166.6000111.5
363D24Very low26.4Very low147 Ų147152.9 Ų152.979%0.78685%0.852SS**  trans-92.2161.9-150.8-56.8-65.6000117.6
364A25.9Very low26.4Very low89 Ų89151 Ų15174%0.73684%0.843SS**  trans53131.1137.300000124.8
365E25.2Very low26.3Very low176 Ų176150.8 Ų150.882%0.82284%0.842SS**  trans62.7113.8144.1-69.2-174.4165.300121.1
366T25.6Very low26.2Very low136 Ų136150.7 Ų150.783%0.83484%0.839SS**  178.6141.410725.30000112.6
367T33.3Very low26.1Very low135 Ų135150 Ų15083%0.82884%0.836SS**  trans-57.6158173.137.40000115.2
368P28.1Very low26.2Very low129 Ų129151.8 Ų151.884%0.83884%0.835SS**  trans-127.9133.415131.4-15.1000115.4
369L24.6Very low26.1Very low175 Ų175146.3 Ų146.392%0.91682%0.824SS**  trans-64.4151.2160-86.9140.4000111.5
370M27.9Very low26.2Very low180 Ų180142.8 Ų142.889%0.88782%0.819SS**  trans-64.2134.2173.1-77.5-151.9151.300113.1
371N25.1Very low26.4Very low171 Ų171137.7 Ų137.791%0.91481%0.809SS**  trans-159.6151137.4-105.3-19.1000112.2
372G29.6Very low26.5Very low71 Ų71139.9 Ų139.973%0.73281%0.809SS**  trans-74.5179.7-161.500000118.4
373N28.6Very low26.8Very low170 Ų170139.1 Ų139.191%0.90981%0.806SS**  trans80.582.1-170-69.7-9.6000115.5
374G23.8Very low27.1Very low63 Ų63139.8 Ų139.865%0.64980%0.804SS**  trans-100.194.7175.700000113.7
375T24Very low27.4Very low131 Ų131144.5 Ų144.580%0.80481%0.811SS**  trans-75.8106.3146.232.60000107.4H377T375-H377 PolarHBondContact O-N 3.36Å
376F24.5Very low28.2Very low187 Ų187139.9 Ų139.982%0.8280%0.803SS**  trans-81.9103.7178.8-82-90.4000110.3
377H23.8Very low29Very low184 Ų184136.9 Ų136.985%0.85279%0.786SS**PPolyproline II helixtrans-81.9118.2155.2-80.8-75000107.6T375T375-H377 PolarHBondContact O-N 3.36Å
378C26.4Very low29.5Very low113 Ų113136 Ų13676%0.76478%0.784SS**PPolyproline II helixtrans-94.8123172.7-70.20000109.2
379A23.3Very low30.5Very low88 Ų88132.4 Ų132.473%0.72776%0.762SS**PPolyproline II helixtrans-69.1151.4161.200000109.5D381A379-D381 PolarHBondContact O-N 3.21Å
380P26.2Very low32.2Very low122 Ų122131.5 Ų131.579%0.79275%0.746SS**PPolyproline II helixtrans-68.9130.5177.626.8-30.3000110.6E382P380-E382 PolarHBondContact O-N 2.99Å
381D28.2Very low34Very low133 Ų133124 Ų12471%0.71171%0.711SS**  trans-82.4104.5174.4-145-3.1000107.4K205 A379K205-D381 IonicContact NZ-OD2 3.5Å; A379-D381 PolarHBondContact O-N 3.21Å
382E31.7Very low36.3Very low165 Ų165121.2 Ų121.277%0.77169%0.693SS**  trans-82.1117.3168.3-70.1-178.7169.500108P380P380-E382 PolarHBondContact O-N 2.99Å
383N32.4Very low38.8Very low156 Ų156118 Ų11883%0.83466%0.659SS**  trans117.161.5169.5-58.8-42.2000117.3
384E31.1Very low41.6Very low161 Ų161113 Ų11375%0.75264%0.635SS**  trans-122.488.5147.8-88-174.717400108.8A386E384-A386 PolarHBondContact O-N 3.43Å
385E32.2Very low44.7Very low189 Ų189114.7 Ų114.788%0.88364%0.636SS**  trans-69.6113.2167.3-77.5-174.6161.400109.1
386A41.8Very low48Very low79 Ų79108.8 Ų108.865%0.65360%0.6SS**PPolyproline II helixtrans-63.8136.8171.200000109.7E384 C388E384-A386 PolarHBondContact O-N 3.43Å; A386-C388 PolarHBondContact O-N 3.18Å
387P42.4Very low51.3Low73 Ų73103 Ų10347%0.47458%0.58SS.*PPolyproline II helixtrans-58.1124.7179.520.2-29.7000110.5S389P387-S389 PolarHBondContact O-N 3.08Å
388C42.8Very low54.7Low116 Ų11696.2 Ų96.278%0.78455%0.549SS*.PPolyproline II helixtrans-55.6121.9176.7-79.20000110.5A386 R390A386-C388 PolarHBondContact O-N 3.18Å; C388-R390 PolarHBondContact O-N 3.17Å; C388-R390 VanDerWaalsContact O-N 3.14Å
389S50.8Low57.9Low53 Ų5395 Ų9537%0.37153%0.532SS..  trans-61.8113174161.90000109.9P387 S391P387-S389 PolarHBondContact O-N 3.08Å; S389-S391 PolarHBondContact O-N 2.73Å; S389-S391 WeakPolarHBondContact OG-CB 3.44Å; S389-S391 PolarHBondContact OG-N 2.88Å
390R60.4Low61.2Low157 Ų15793 Ų9359%0.59251%0.507SS*.  trans-80.719.2172.2-60.4-178179.1171.60.2113.3C388 H392 Y545C388-R390 PolarHBondContact O-N 3.17Å; C388-R390 VanDerWaalsContact O-N 3.14Å; R390-H392 PolarHBondContact O-CD2 2.89Å; R390-H392 PolarHBondContact O-N 3.33Å; R390-Y545 HydrophobicContact CB-CD1 4.3Å; R390-Y545 HydrophobicContact CB-CE1 3.93Å; R390-Y545 HydrophobicContact CB-CE2 4.4Å; R390-Y545 HydrophobicContact CG-CE2 4.5Å
391S64.7Low64.4Low21 Ų2187.6 Ų87.615%0.14747%0.472CS..  trans-70.6120.1176.4175.40000109.9K166 S389 I393 E510K166-S391 WeakPolarHBondContact CE-OG 3.49Å; S389-S391 PolarHBondContact O-N 2.73Å; S389-S391 WeakPolarHBondContact OG-CB 3.44Å; S389-S391 PolarHBondContact OG-N 2.88Å; S391-I393 VanDerWaalsContact C-N 3.25Å; S391-I393 WeakPolarHBondContact OG-CB 3.38Å; S391-I393 PolarHBondContact OG-N 3.06Å; S391-E510 PolarHBondContact OG-OE2 3.38Å
392H73Confident67.5Low114 Ų11485.3 Ų85.353%0.52847%0.466SS..  trans-83.5-2.1172.9-63.5-78.8000112.5R390R390-H392 PolarHBondContact O-CD2 2.89Å; R390-H392 PolarHBondContact O-N 3.33Å
393I83.4Confident70.5Confident4 Ų481.6 Ų81.62%0.02145%0.449CS..PPolyproline II helixtrans-68.8123.4179.7-54.4-61.2000109K166 L331 S391 L396 V509 T514K166-I393 PolarHBondContact NZ-O 3.43Å; L331-I393 HydrophobicContact CD2-CG2 4.34Å; L331-I393 WeakPolarHBondContact O-CD1 3.24Å; S391-I393 VanDerWaalsContact C-N 3.25Å; S391-I393 WeakPolarHBondContact OG-CB 3.38Å; S391-I393 PolarHBondContact OG-N 3.06Å; I393-L396 HydrophobicContact CG2-CD2 4.36Å; I393-V509 HydrophobicContact CD1-CG1 4.45Å; I393-V509 HydrophobicContact CG2-CG1 3.83Å; I393-T514 HydrophobicContact CD1-CG2 4.44Å; I393-T514 HydrophobicContact CG1-CG2 3.77Å
394P86.4Confident73.6Confident63 Ų6374.2 Ų74.241%0.40941%0.409SS..PPolyproline II helixtrans-64.3167.8177.227.6-34.6000111.4Q162 L331 L396Q162-P394 PolarHBondContact NE2-O 3.28Å; L331-P394 HydrophobicContact CD2-CG 3.62Å; P394-L396 PolarHBondContact O-N 3.28Å
395C89.2Confident76.7Confident100 Ų10075.6 Ų75.668%0.67641%0.407SS*.PPolyproline II helixtrans-57.7123.9174.5-68.80000110.2
396L93.8Very high79.8Confident6 Ų668 Ų683%0.03137%0.371CS..PPolyproline II helixtrans-77139.7-179.7-67.3169.7000110.1L158 Q162 L331 I393 P394 K400 L401 T506 V509L158-L396 HydrophobicContact CD1-CB 4.31Å; L158-L396 HydrophobicContact CD2-CB 4.15Å; L158-L396 VanDerWaalsContact CD2-O 3.26Å; L158-L396 WeakPolarHBondContact CD2-O 3.2Å; L158-L396 HydrophobicContact CG-CB 4.33Å; Q162-L396 HydrophobicContact CG-CD1 4.18Å; L331-L396 HydrophobicContact CD1-CD2 3.95Å; L331-L396 HydrophobicContact CD2-CD2 3.98Å; I393-L396 HydrophobicContact CG2-CD2 4.36Å; P394-L396 PolarHBondContact O-N 3.28Å; L396-K400 HydrophobicContact CD2-CG 4.45Å; L396-L401 HydrophobicContact CD1-CD2 4.21Å; L396-L401 HydrophobicContact CD2-CD2 4.49Å; L396-T506 HydrophobicContact CD1-CG2 3.93Å; L396-V509 HydrophobicContact CD1-CG1 4.38Å; L396-V509 HydrophobicContact CD2-CG1 4.3Å
397T94.4Very high82.5Confident67 Ų6764.2 Ų64.241%0.41134%0.34SS..  trans-111.1161168.966.60000110.1E399 K400 L401T397-E399 PolarHBondContact O-N 3.17Å; T397-K400 PolarHBondContact O-N 2.92Å; T397-K400 WeakPolarHBondContact OG1-CB 3.35Å; T397-K400 PolarHBondContact OG1-N 3.38Å; T397-K400 VanDerWaalsContact OG1-N 3.1Å; T397-L401 PolarHBondContact O-N 2.79Å
398M93.9Very high85.2Confident40 Ų4062.5 Ų62.520%0.19733%0.327CS..Hα-helixtrans-63.8-33.4175.6-75.6-63.4-72.100111.5L154 E155 L158 L401 S402 M502L154-M398 HydrophobicContact CB-CE 4.39Å; E155-M398 HydrophobicContact CB-CG 4.31Å; E155-M398 HydrophobicContact CG-CB 3.92Å; E155-M398 HydrophobicContact CG-CG 3.43Å; E155-M398 VanDerWaalsContact CG-CG 3.43Å; L158-M398 HydrophobicContact CD2-CG 4.16Å; L158-M398 HydrophobicContact CD2-SD 4.1Å; M398-L401 HydrophobicContact SD-CD1 4.47Å; M398-S402 WeakPolarHBondContact O-CB 3.26Å; M398-S402 PolarHBondContact O-N 2.92Å; M398-M502 HydrophobicContact SD-CG 4.48Å; M398-M502 HydrophobicContact SD-SD 3.72Å
399E93Very high87.8Confident87 Ų8757.4 Ų57.441%0.40729%0.292SS..Hα-helixtrans-60.8-51.2173.9-67.662.3-134.800110.2R151 T397 L401 S402 Q403R151-E399 IonicContact NH2-OE1 3.75Å; R151-E399 PolarHBondContact NH2-OE1 3.37Å; T397-E399 PolarHBondContact O-N 3.17Å; E399-L401 PolarHBondContact O-N 3.38Å; E399-S402 WeakPolarHBondContact O-CB 3.32Å; E399-S402 PolarHBondContact O-N 2.88Å; E399-S402 VanDerWaalsContact O-N 3.09Å; E399-S402 PolarHBondContact O-OG 3.35Å; E399-Q403 WeakPolarHBondContact O-CG 3.21Å; E399-Q403 PolarHBondContact O-N 3.39Å
400K93.3Very high90.1Very high48 Ų4855 Ų5521%0.20928%0.275CS..Hα-helixtrans-63.2-44.8179.3-176.657.957.2171.50111.5E329 L331 L396 T397 S402 Q403 L404E329-K400 HydrophobicContact CB-CD 4.21Å; E329-K400 PolarHBondContact O-NZ 3.48Å; E329-K400 IonicContact OE2-NZ 3.13Å; E329-K400 PolarHBondContact OE2-NZ 2.92Å; L331-K400 HydrophobicContact CD1-CD 4.07Å; L331-K400 HydrophobicContact CD1-CG 3.91Å; L331-K400 HydrophobicContact CD2-CD 4.46Å; L331-K400 HydrophobicContact CD2-CG 4.19Å; L331-K400 HydrophobicContact CG-CD 4.25Å; L331-K400 HydrophobicContact CG-CG 4.33Å; L396-K400 HydrophobicContact CD2-CG 4.45Å; T397-K400 PolarHBondContact O-N 2.92Å; T397-K400 WeakPolarHBondContact OG1-CB 3.35Å; T397-K400 PolarHBondContact OG1-N 3.38Å; T397-K400 VanDerWaalsContact OG1-N 3.1Å; K400-S402 PolarHBondContact O-N 3.5Å; K400-Q403 VanDerWaalsContact CE-OE1 3.31Å; K400-Q403 WeakPolarHBondContact O-CB 3.43Å; K400-Q403 PolarHBondContact O-N 2.95Å; K400-Q403 VanDerWaalsContact O-N 3.08Å; K400-L404 PolarHBondContact O-N 3.28Å
401L94.4Very high91.9Very high8 Ų847.5 Ų47.54%0.04225%0.247CC..Hα-helixtrans-59.6-33.4173.9-77.9-175.6000112.7L158 L396 T397 M398 E399 Q403 L404 M502 K505L158-L401 HydrophobicContact CD1-CD1 3.67Å; L158-L401 HydrophobicContact CD2-CD1 3.83Å; L158-L401 HydrophobicContact CD2-CG 4.44Å; L158-L401 HydrophobicContact CG-CD1 4.44Å; L396-L401 HydrophobicContact CD1-CD2 4.21Å; L396-L401 HydrophobicContact CD2-CD2 4.49Å; T397-L401 PolarHBondContact O-N 2.79Å; M398-L401 HydrophobicContact SD-CD1 4.47Å; E399-L401 PolarHBondContact O-N 3.38Å; L401-Q403 VanDerWaalsContact C-N 3.3Å; L401-L404 HydrophobicContact CD2-CD1 4.15Å; L401-M502 HydrophobicContact CD1-CG 3.93Å; L401-K505 HydrophobicContact CD2-CB 4.09Å; L401-K505 WeakPolarHBondContact O-CE 3.44Å; L401-K505 PolarHBondContact O-NZ 3.24Å
402S93Very high93.5Very high85 Ų8549 Ų4959%0.59425%0.25SS*.Hα-helixtrans-72.1-23.3177.578.90000113.6M398 E399 K400M398-S402 WeakPolarHBondContact O-CB 3.26Å; M398-S402 PolarHBondContact O-N 2.92Å; E399-S402 WeakPolarHBondContact O-CB 3.32Å; E399-S402 PolarHBondContact O-N 2.88Å; E399-S402 VanDerWaalsContact O-N 3.09Å; E399-S402 PolarHBondContact O-OG 3.35Å; K400-S402 PolarHBondContact O-N 3.5Å
403Q94.9Very high94.7Very high87 Ų8743.5 Ų43.541%0.40723%0.225SC..Hα-helixtrans-77.2-25177.7-70.7169.4-3100112.8E329 E399 K400 L401 R405E329-Q403 PolarHBondContact OE2-OE1 3.38Å; E399-Q403 WeakPolarHBondContact O-CG 3.21Å; E399-Q403 PolarHBondContact O-N 3.39Å; K400-Q403 VanDerWaalsContact CE-OE1 3.31Å; K400-Q403 WeakPolarHBondContact O-CB 3.43Å; K400-Q403 PolarHBondContact O-N 2.95Å; K400-Q403 VanDerWaalsContact O-N 3.08Å; L401-Q403 VanDerWaalsContact C-N 3.3Å; Q403-R405 PolarHBondContact O-N 3.14Å
404L96.8Very high95.4Very high0 Ų043.4 Ų43.40%023%0.225CC..  trans-7385.1176.9-55.3177.4000111.4E325 L326 E329 L331 K400 L401 I407 D408 K505 V509E325-L404 HydrophobicContact CG-CD2 3.99Å; L326-L404 HydrophobicContact CD2-CD1 4.19Å; L326-L404 HydrophobicContact CD2-CD2 4Å; E329-L404 HydrophobicContact CB-CD2 4.14Å; E329-L404 HydrophobicContact CG-CD2 4.01Å; L331-L404 HydrophobicContact CD1-CD1 3.99Å; L331-L404 HydrophobicContact CD1-CD2 4.04Å; L331-L404 HydrophobicContact CD1-CG 4.45Å; K400-L404 PolarHBondContact O-N 3.28Å; L401-L404 HydrophobicContact CD2-CD1 4.15Å; L404-I407 HydrophobicContact CB-CB 4.01Å; L404-I407 HydrophobicContact CB-CG1 4.3Å; L404-D408 WeakPolarHBondContact O-CB 3.32Å; L404-D408 PolarHBondContact O-N 2.92Å; L404-K505 PolarHBondContact O-NZ 2.85Å; L404-V509 HydrophobicContact CD1-CG2 3.39Å
405R96.1Very high96Very high191 Ų19140.6 Ų40.672%0.72121%0.206SC*.Hα-helixtrans-77.2-42.3-175-69.1-179.6-176.7178.63.1111.9E325 Q403 D408 C409E325-R405 WeakPolarHBondContact OE1-CA 3.43Å; E325-R405 PolarHBondContact OE1-N 2.83Å; Q403-R405 PolarHBondContact O-N 3.14Å; R405-D408 WeakPolarHBondContact O-CB 3.41Å; R405-D408 PolarHBondContact O-N 2.63Å; R405-C409 PolarHBondContact O-N 2.85Å; R405-C409 PolarHBondContact O-SG 2.92Å
406Y98.1Very high96.3Very high28 Ų2835.9 Ų35.911%0.1117%0.174CC..Hα-helixtrans-72.6-41.7-179.8-172.4-104.6000111.1V318 K321 A322 E325 D408 C409 V410 P467 D468V318-Y406 HydrophobicContact CG1-CE1 4.23Å; V318-Y406 WeakPolarHBondContact O-CE1 3.41Å; K321-Y406 HydrophobicContact CB-CD1 4.01Å; K321-Y406 HydrophobicContact CB-CE1 3.38Å; K321-Y406 HydrophobicContact CB-CE2 4.32Å; K321-Y406 HydrophobicContact CD-CE1 4.41Å; K321-Y406 HydrophobicContact CD-CE2 4.02Å; K321-Y406 WeakPolarHBondContact CD-OH 3.39Å; A322-Y406 HydrophobicContact CB-CD1 3.98Å; A322-Y406 HydrophobicContact CB-CE1 4.09Å; E325-Y406 VanDerWaalsContact CD-N 3.31Å; E325-Y406 PolarHBondContact OE1-N 2.94Å; E325-Y406 WeakPolarHBondContact OE2-CB 3.36Å; E325-Y406 PolarHBondContact OE2-N 3.2Å; E325-Y406 VanDerWaalsContact OE2-N 3.15Å; Y406-D408 PolarHBondContact O-N 3.03Å; Y406-C409 CarbonylContact O-C 3.59Å; Y406-C409 WeakPolarHBondContact O-CA 3.42Å; Y406-C409 VanDerWaalsContact O-CB 3.27Å; Y406-C409 WeakPolarHBondContact O-CB 3.23Å; Y406-C409 PolarHBondContact O-N 3.46Å; Y406-V410 HydrophobicContact CD1-CG2 4.17Å; Y406-V410 HydrophobicContact CE1-CG2 3.84Å; Y406-V410 WeakPolarHBondContact O-CG2 3.33Å; Y406-V410 PolarHBondContact O-N 3.05Å; Y406-P467 HydrophobicContact CE2-CB 4.2Å; Y406-D468 WeakPolarHBondContact CE2-OD1 3.28Å
407I98.3Very high96.4Very high1 Ų137.9 Ų37.91%0.00518%0.183CC..Hα-helixtrans-57.3-38.4169.4-65.8-70.5000111.2A322 E325 L326 L404 C409 V410 V411 K505 A508 I512A322-I407 HydrophobicContact CB-CD1 3.77Å; E325-I407 WeakPolarHBondContact OE2-CG1 3.5Å; E325-I407 PolarHBondContact OE2-N 3.31Å; L326-I407 HydrophobicContact CD2-CG1 4.45Å; L404-I407 HydrophobicContact CB-CB 4.01Å; L404-I407 HydrophobicContact CB-CG1 4.3Å; I407-C409 VanDerWaalsContact C-N 3.33Å; I407-C409 PolarHBondContact O-N 2.89Å; I407-V410 PolarHBondContact O-N 3.13Å; I407-V411 HydrophobicContact CG2-CG2 4.49Å; I407-V411 WeakPolarHBondContact O-CG2 3.46Å; I407-V411 PolarHBondContact O-N 3.32Å; I407-K505 HydrophobicContact CG2-CB 4.16Å; I407-K505 HydrophobicContact CG2-CG 4.03Å; I407-A508 HydrophobicContact CD1-CB 4.1Å; I407-A508 HydrophobicContact CG2-CB 4.04Å; I407-I512 HydrophobicContact CD1-CD1 3.83Å
408D97.7Very high96.5Very high37 Ų3735.4 Ų35.420%0.19817%0.167CC..Hα-helixtrans-61.8-41.1173.5-172.664.6000112.1L404 R405 Y406 V411 K412L404-D408 WeakPolarHBondContact O-CB 3.32Å; L404-D408 PolarHBondContact O-N 2.92Å; R405-D408 WeakPolarHBondContact O-CB 3.41Å; R405-D408 PolarHBondContact O-N 2.63Å; Y406-D408 PolarHBondContact O-N 3.03Å; D408-V411 PolarHBondContact O-N 2.99Å; D408-K412 WeakPolarHBondContact O-CB 3.16Å; D408-K412 VanDerWaalsContact O-CG 3.29Å; D408-K412 WeakPolarHBondContact O-CG 3.3Å; D408-K412 PolarHBondContact O-N 3.02Å; D408-K412 WeakPolarHBondContact OD2-CE 3.37Å; D408-K412 IonicContact OD2-NZ 3.59Å; D408-K412 PolarHBondContact OD2-NZ 3.1Å
409C98.3Very high96.7Very high9 Ų933.5 Ų33.56%0.06116%0.158CC..Hα-helixtrans-62.3-43.5174.4-64.90000112R405 Y406 I407 K412 E413 P467 F470R405-C409 PolarHBondContact O-N 2.85Å; R405-C409 PolarHBondContact O-SG 2.92Å; Y406-C409 CarbonylContact O-C 3.59Å; Y406-C409 WeakPolarHBondContact O-CA 3.42Å; Y406-C409 VanDerWaalsContact O-CB 3.27Å; Y406-C409 WeakPolarHBondContact O-CB 3.23Å; Y406-C409 PolarHBondContact O-N 3.46Å; I407-C409 VanDerWaalsContact C-N 3.33Å; I407-C409 PolarHBondContact O-N 2.89Å; C409-K412 PolarHBondContact O-N 2.71Å; C409-E413 PolarHBondContact O-N 3.17Å; C409-P467 HydrophobicContact CB-CB 4.25Å; C409-P467 WeakPolarHBondContact CB-O 3.15Å; C409-F470 HydrophobicContact CB-CB 4.05Å; C409-F470 VanDerWaalsContact SG-C 3.54Å
410V98.7Very high96.8Very high1 Ų129.9 Ų29.91%0.00614%0.141CC..Hα-helixtrans-60.6-49.6175.8174.50000110.8L308 L312 V318 Y406 I407 K412 E413 V414 P467L308-V410 HydrophobicContact CD1-CG1 3.93Å; L312-V410 HydrophobicContact CD2-CG1 4.14Å; V318-V410 HydrophobicContact CG1-CG1 4.42Å; V318-V410 HydrophobicContact CG1-CG2 3.6Å; Y406-V410 HydrophobicContact CD1-CG2 4.17Å; Y406-V410 HydrophobicContact CE1-CG2 3.84Å; Y406-V410 WeakPolarHBondContact O-CG2 3.33Å; Y406-V410 PolarHBondContact O-N 3.05Å; I407-V410 PolarHBondContact O-N 3.13Å; V410-K412 VanDerWaalsContact C-N 3.31Å; V410-K412 PolarHBondContact O-N 2.85Å; V410-E413 PolarHBondContact O-N 2.9Å; V410-V414 HydrophobicContact CG1-CG2 4.47Å; V410-V414 WeakPolarHBondContact O-CG2 3.31Å; V410-V414 PolarHBondContact O-N 3.34Å; V410-P467 HydrophobicContact CG2-CB 3.91Å; V410-P467 HydrophobicContact CG2-CG 3.9Å
411V98.6Very high96.8Very high1 Ų130 Ų301%0.00615%0.146CC..Hα-helixtrans-61.2-41.3178.8169.50000111.1I407 D408 V414 L415 L504 K505I407-V411 HydrophobicContact CG2-CG2 4.49Å; I407-V411 WeakPolarHBondContact O-CG2 3.46Å; I407-V411 PolarHBondContact O-N 3.32Å; D408-V411 PolarHBondContact O-N 2.99Å; V411-V414 PolarHBondContact O-N 2.84Å; V411-L415 HydrophobicContact CG1-CD1 4.1Å; V411-L415 WeakPolarHBondContact O-CG 3.46Å; V411-L415 PolarHBondContact O-N 3.36Å; V411-L415 VanDerWaalsContact O-N 3.07Å; V411-L504 HydrophobicContact CG1-CB 4Å; V411-L504 HydrophobicContact CG1-CD1 3.85Å; V411-L504 HydrophobicContact CG2-CB 3.94Å; V411-K505 HydrophobicContact CG2-CG 4.02Å
412K98Very high96.6Very high51 Ų5130.2 Ų30.222%0.22215%0.148CC..Hα-helixtrans-62.7-42.7176.1-77.3168.7172.7164.30112.3D408 C409 V410 L415 R416 F470 Y484D408-K412 WeakPolarHBondContact O-CB 3.16Å; D408-K412 VanDerWaalsContact O-CG 3.29Å; D408-K412 WeakPolarHBondContact O-CG 3.3Å; D408-K412 PolarHBondContact O-N 3.02Å; D408-K412 WeakPolarHBondContact OD2-CE 3.37Å; D408-K412 IonicContact OD2-NZ 3.59Å; D408-K412 PolarHBondContact OD2-NZ 3.1Å; C409-K412 PolarHBondContact O-N 2.71Å; V410-K412 VanDerWaalsContact C-N 3.31Å; V410-K412 PolarHBondContact O-N 2.85Å; K412-L415 PolarHBondContact O-N 2.83Å; K412-R416 WeakPolarHBondContact O-CB 3.43Å; K412-R416 PolarHBondContact O-N 2.78Å; K412-F470 HydrophobicContact CB-CB 4.38Å; K412-F470 HydrophobicContact CB-CD1 3.77Å; K412-F470 HydrophobicContact CB-CD2 3.72Å; K412-F470 HydrophobicContact CB-CE1 3.85Å; K412-F470 HydrophobicContact CB-CE2 3.84Å; K412-F470 HydrophobicContact CB-CG 3.69Å; K412-F470 HydrophobicContact CB-CZ 3.91Å; K412-F470 HydrophobicContact CD-CB 4.04Å; K412-F470 HydrophobicContact CD-CD1 3.72Å; K412-F470 HydrophobicContact CD-CE1 4.35Å; K412-F470 HydrophobicContact CD-CG 3.95Å; K412-F470 HydrophobicContact CG-CD1 4.27Å; K412-F470 HydrophobicContact CG-CE1 4.49Å; K412-F470 HydrophobicContact CG-CG 4.47Å; K412-Y484 VanDerWaalsContact CA-OH 3.27Å; K412-Y484 WeakPolarHBondContact CA-OH 3.48Å; K412-Y484 HydrophobicContact CG-CE1 4.44Å; K412-Y484 WeakPolarHBondContact O-CE2 3.45Å; K412-Y484 PolarHBondContact O-OH 3.06Å; K412-Y484 VanDerWaalsContact O-OH 3.13Å
413E98.4Very high96.6Very high0 Ų027 Ų270%013%0.128CC..Hα-helixtrans-68.9-37.9178.3-176.766.8167.500112.4C409 V410 L415 R416 F417 F465 D466 P467 R469 F470C409-E413 PolarHBondContact O-N 3.17Å; V410-E413 PolarHBondContact O-N 2.9Å; E413-L415 VanDerWaalsContact C-N 3.31Å; E413-L415 PolarHBondContact O-N 3.29Å; E413-R416 PolarHBondContact O-N 2.82Å; E413-R416 IonicContact OE1-CZ 3.99Å; E413-R416 IonicContact OE1-NE 3.2Å; E413-R416 PolarHBondContact OE1-NE 2.82Å; E413-R416 IonicContact OE1-NH2 3.83Å; E413-R416 PolarHBondContact OE1-NH2 3.13Å; E413-R416 WeakPolarHBondContact OE2-CD 3.39Å; E413-R416 IonicContact OE2-CZ 2.73Å; E413-R416 IonicContact OE2-NE 2.75Å; E413-R416 PolarHBondContact OE2-NE 2.79Å; E413-R416 IonicContact OE2-NH2 2.84Å; E413-F417 WeakPolarHBondContact O-CB 3.35Å; E413-F417 PolarHBondContact O-N 3.31Å; E413-F465 HydrophobicContact CB-CD2 4.47Å; E413-F465 HydrophobicContact CB-CE2 3.93Å; E413-F465 HydrophobicContact CB-CZ 4.24Å; E413-F465 HydrophobicContact CG-CD2 3.49Å; E413-F465 VanDerWaalsContact CG-CD2 3.49Å; E413-F465 HydrophobicContact CG-CE2 3.43Å; E413-F465 VanDerWaalsContact CG-CE2 3.43Å; E413-F465 HydrophobicContact CG-CG 4.08Å; E413-F465 HydrophobicContact CG-CZ 3.98Å; E413-D466 PolarHBondContact OE1-N 3Å; E413-P467 HydrophobicContact CB-CG 4.43Å; E413-R469 IonicContact OE1-CZ 3.17Å; E413-R469 IonicContact OE1-NE 2.7Å; E413-R469 PolarHBondContact OE1-NE 3.5Å; E413-R469 IonicContact OE1-NH2 3.51Å; E413-R469 VanDerWaalsContact OE2-CD 3.22Å; E413-R469 WeakPolarHBondContact OE2-CD 3.42Å; E413-R469 IonicContact OE2-NE 3.93Å; E413-R469 PolarHBondContact OE2-NE 2.87Å; E413-F470 HydrophobicContact CB-CD2 4.12Å; E413-F470 HydrophobicContact CB-CE2 3.88Å; E413-F470 VanDerWaalsContact OE2-CE2 3.27Å; E413-F470 WeakPolarHBondContact OE2-CE2 3.27Å
414V98.5Very high96.4Very high1 Ų123.3 Ų23.31%0.00611%0.114CC..Hα-helixtrans-56.9-47.1172169.20000110.7L308 Q311 V410 V411 F417 L418 F465L308-V414 HydrophobicContact CB-CG1 4.35Å; L308-V414 HydrophobicContact CB-CG2 4.4Å; L308-V414 HydrophobicContact CD1-CG2 4.02Å; Q311-V414 HydrophobicContact CB-CG2 4.32Å; Q311-V414 HydrophobicContact CG-CG2 4.32Å; V410-V414 HydrophobicContact CG1-CG2 4.47Å; V410-V414 WeakPolarHBondContact O-CG2 3.31Å; V410-V414 PolarHBondContact O-N 3.34Å; V411-V414 PolarHBondContact O-N 2.84Å; V414-F417 PolarHBondContact O-N 2.9Å; V414-L418 CarbonylContact O-C 3.49Å; V414-L418 PolarHBondContact O-N 3.12Å; V414-F465 HydrophobicContact CG2-CE2 3.83Å; V414-F465 HydrophobicContact CG2-CZ 3.94Å
415L98.1Very high96.3Very high4 Ų426.8 Ų26.82%0.02113%0.128CC..Hα-helixtrans-72.9-26179.9-67.1174.9000113.2A304 V411 K412 E413 P419 P420 P486 F487 L504A304-L415 HydrophobicContact CB-CD2 4.06Å; V411-L415 HydrophobicContact CG1-CD1 4.1Å; V411-L415 WeakPolarHBondContact O-CG 3.46Å; V411-L415 PolarHBondContact O-N 3.36Å; V411-L415 VanDerWaalsContact O-N 3.07Å; K412-L415 PolarHBondContact O-N 2.83Å; E413-L415 VanDerWaalsContact C-N 3.31Å; E413-L415 PolarHBondContact O-N 3.29Å; L415-P419 WeakPolarHBondContact O-CA 3.49Å; L415-P419 WeakPolarHBondContact O-CB 3.27Å; L415-P420 HydrophobicContact CD2-CG 4.25Å; L415-P486 HydrophobicContact CB-CB 3.88Å; L415-P486 HydrophobicContact CB-CG 4.2Å; L415-F487 HydrophobicContact CD1-CE2 3.8Å; L415-F487 HydrophobicContact CD1-CZ 3.6Å; L415-L504 HydrophobicContact CD1-CD1 4.32Å; L415-L504 HydrophobicContact CD2-CD1 4.19Å; L415-L504 HydrophobicContact CG-CD1 4.39Å
416R97.1Very high96.3Very high2 Ų218.4 Ų18.41%0.00810%0.096CC..Hα-helixtrans-69.7-52171.3-170.3-162.864.382.9-2.2110.5K412 E413 P419 H453 F459 P462 I464 F470 Y484K412-R416 WeakPolarHBondContact O-CB 3.43Å; K412-R416 PolarHBondContact O-N 2.78Å; E413-R416 PolarHBondContact O-N 2.82Å; E413-R416 IonicContact OE1-CZ 3.99Å; E413-R416 IonicContact OE1-NE 3.2Å; E413-R416 PolarHBondContact OE1-NE 2.82Å; E413-R416 IonicContact OE1-NH2 3.83Å; E413-R416 PolarHBondContact OE1-NH2 3.13Å; E413-R416 WeakPolarHBondContact OE2-CD 3.39Å; E413-R416 IonicContact OE2-CZ 2.73Å; E413-R416 IonicContact OE2-NE 2.75Å; E413-R416 PolarHBondContact OE2-NE 2.79Å; E413-R416 IonicContact OE2-NH2 2.84Å; R416-P419 WeakPolarHBondContact O-CD 3.26Å; R416-H453 HydrophobicContact CG-CB 3.84Å; R416-H453 PolarHBondContact O-ND1 2.82Å; R416-H453 VanDerWaalsContact O-ND1 3.11Å; R416-F459 HydrophobicContact CG-CE2 4.15Å; R416-F459 HydrophobicContact CG-CZ 4.22Å; R416-P462 PolarHBondContact NH1-O 3.39Å; R416-P462 PolarHBondContact NH2-O 2.75Å; R416-I464 PolarHBondContact NH2-O 3.19Å; R416-F470 HydrophobicContact CB-CE2 4.4Å; R416-F470 HydrophobicContact CB-CZ 4.07Å; R416-F470 HydrophobicContact CG-CZ 4.48Å; R416-Y484 HydrophobicContact CB-CD2 4.21Å; R416-Y484 HydrophobicContact CB-CE2 3.85Å; R416-Y484 HydrophobicContact CG-CD2 4.34Å; R416-Y484 HydrophobicContact CG-CE2 4.47Å
417F95.9Very high96.2Very high47 Ų4719.1 Ų19.121%0.20610%0.103CC..Hα-helixtrans-75.6-42.3-169-163.1-112.1000112.4E413 V414 E463 F465E413-F417 WeakPolarHBondContact O-CB 3.35Å; E413-F417 PolarHBondContact O-N 3.31Å; V414-F417 PolarHBondContact O-N 2.9Å; F417-E463 VanDerWaalsContact CE2-O 3.26Å; F417-E463 WeakPolarHBondContact CE2-O 3.4Å; F417-E463 WeakPolarHBondContact CZ-O 3.41Å; F417-F465 HydrophobicContact CB-CD2 4.22Å; F417-F465 HydrophobicContact CD1-CD2 4.26Å; F417-F465 HydrophobicContact CG-CD2 4.26Å
418L96.3Very high96.2Very high16 Ų1619.1 Ų19.18%0.08410%0.104CC..SBendtrans-129.767.2179.6-67.5174.7000110.2L310 V414 P420 M527 V533L310-L418 HydrophobicContact CD2-CD1 4.26Å; V414-L418 CarbonylContact O-C 3.49Å; V414-L418 PolarHBondContact O-N 3.12Å; L418-P420 WeakPolarHBondContact O-CD 3.24Å; L418-M527 HydrophobicContact CD1-CE 4.37Å; L418-V533 HydrophobicContact CB-CG1 4.2Å; L418-V533 HydrophobicContact CD2-CG1 4.12Å
419P96.8Very high96.2Very high0 Ų020.5 Ų20.50%011%0.111CC..  trans-63.2124.6179.425.1-31.9000109.6L415 R416 V421 I449 R450 V533L415-P419 WeakPolarHBondContact O-CA 3.49Å; L415-P419 WeakPolarHBondContact O-CB 3.27Å; R416-P419 WeakPolarHBondContact O-CD 3.26Å; P419-V421 PolarHBondContact O-N 2.76Å; P419-I449 HydrophobicContact CB-CG2 4Å; P419-I449 HydrophobicContact CG-CG2 4.26Å; P419-R450 HydrophobicContact CG-CB 3.8Å; P419-R450 HydrophobicContact CG-CG 4.33Å; P419-V533 WeakPolarHBondContact O-CG2 3.37Å
420P96.4Very high96.1Very high10 Ų1023.9 Ų23.97%0.06513%0.126CC..SBendtrans-53.7-35.2-175.5-31.336.4000114.2T300 S303 A304 L415 L418 I532 V533T300-P420 WeakPolarHBondContact O-CB 3.44Å; T300-P420 WeakPolarHBondContact O-CG 3.41Å; S303-P420 WeakPolarHBondContact OG-CA 3.22Å; A304-P420 HydrophobicContact CB-CG 3.71Å; L415-P420 HydrophobicContact CD2-CG 4.25Å; L418-P420 WeakPolarHBondContact O-CD 3.24Å; P420-I532 WeakPolarHBondContact O-CA 3.48Å; P420-V533 PolarHBondContact O-N 3.04Å; P420-V533 VanDerWaalsContact O-N 3.11Å
421V93.3Very high96Very high52 Ų5225.4 Ų25.432%0.31514%0.135SC..BIsolated β-bridgetrans-111.5112.7174.7179.80000108.7T300 P419 G423 I532T300-V421 HydrophobicContact CG2-CG2 3.8Å; P419-V421 PolarHBondContact O-N 2.76Å; V421-G423 VanDerWaalsContact CG1-O 3.27Å; V421-G423 WeakPolarHBondContact CG1-O 3.34Å; V421-G423 PolarHBondContact O-N 2.78Å; V421-I532 HydrophobicContact CG2-CD1 3.9Å
422S89.6Confident96Very high11 Ų1126 Ų268%0.07714%0.138CC..  trans-70.4-14.9-177.1-72.40000114.3S448 I449 R450 T529S422-S448 CarbonylContact O-C 3.5Å; S422-S448 WeakPolarHBondContact O-CA 3.35Å; S422-I449 PolarHBondContact O-N 2.94Å; S422-R450 PolarHBondContact O-N 2.99Å; S422-T529 PolarHBondContact OG-O 2.84Å
423G92.1Very high95.9Very high17 Ų1727 Ų2718%0.17514%0.143CC..EExtended strand (participates in β ladder)trans164.5-171.8-17800000113V421 Y447V421-G423 VanDerWaalsContact CG1-O 3.27Å; V421-G423 WeakPolarHBondContact CG1-O 3.34Å; V421-G423 PolarHBondContact O-N 2.78Å; G423-Y447 WeakPolarHBondContact CA-O 3.48Å
424G92.1Very high95.8Very high11 Ų1127.1 Ų27.111%0.11314%0.144CC..EExtended strand (participates in β ladder)trans-145.7153.3-177.800000113.7M446 Y447G424-M446 WeakPolarHBondContact O-CA 3.2Å; G424-Y447 PolarHBondContact N-O 3.07Å; G424-Y447 WeakPolarHBondContact O-CD1 3.34Å; G424-Y447 WeakPolarHBondContact O-CE1 3.32Å; G424-Y447 PolarHBondContact O-N 2.67Å; G424-Y447 VanDerWaalsContact O-N 3.13Å
425Y93.6Very high95.6Very high72 Ų7231.3 Ų31.328%0.28217%0.166SC..EExtended strand (participates in β ladder)trans-93.1143.7175.6-71.4-92.6000111.5Q116 V445 M446Q116-Y425 PolarHBondContact N-O 3.18Å; Q116-Y425 VanDerWaalsContact N-O 3.15Å; Y425-V445 CarbonylContact C-O 3.54Å; Y425-V445 WeakPolarHBondContact CA-O 3.42Å; Y425-M446 HydrophobicContact CD1-CB 3.9Å; Y425-M446 HydrophobicContact CD1-CG 4.14Å; Y425-M446 HydrophobicContact CD2-CG 4.4Å; Y425-M446 HydrophobicContact CE1-CB 3.77Å; Y425-M446 HydrophobicContact CE1-CG 3.83Å; Y425-M446 HydrophobicContact CE1-SD 3.92Å; Y425-M446 HydrophobicContact CE2-CE 4.12Å; Y425-M446 HydrophobicContact CE2-CG 4.11Å; Y425-M446 HydrophobicContact CE2-SD 4.11Å; Y425-M446 HydrophobicContact CG-CG 4.42Å; Y425-M446 VanDerWaalsContact CZ-SD 3.53Å; Y425-M446 PolarHBondContact OH-SD 3.38Å; Y425-M446 VanDerWaalsContact OH-SD 3.34Å
426R96.1Very high95.5Very high16 Ų1632.4 Ų32.46%0.0618%0.178CC..EExtended strand (participates in β ladder)trans-138.6141.5178.5-67.8-58.2179.6-89.14.8110.3I105 E109 V113 C114 Q116 S444 V445 Y447I105-R426 HydrophobicContact CG2-CG 4.03Å; E109-R426 VanDerWaalsContact OE2-CD 3.3Å; E109-R426 WeakPolarHBondContact OE2-CD 3.29Å; E109-R426 IonicContact OE2-CZ 3.61Å; E109-R426 IonicContact OE2-NE 3.27Å; E109-R426 PolarHBondContact OE2-NE 3.28Å; E109-R426 IonicContact OE2-NH2 2.7Å; V113-R426 HydrophobicContact CB-CB 3.97Å; V113-R426 HydrophobicContact CB-CG 4.32Å; V113-R426 HydrophobicContact CG1-CB 4.33Å; V113-R426 HydrophobicContact CG2-CB 4.34Å; V113-R426 HydrophobicContact CG2-CG 4.14Å; C114-R426 CarbonylContact O-C 3.58Å; C114-R426 WeakPolarHBondContact O-CA 3.4Å; C114-R426 WeakPolarHBondContact O-CD 3.25Å; Q116-R426 PolarHBondContact OE1-O 3.23Å; R426-S444 CarbonylContact O-C 3.57Å; R426-S444 WeakPolarHBondContact O-CA 3.32Å; R426-V445 HydrophobicContact CB-CB 4.43Å; R426-V445 PolarHBondContact N-O 2.89Å; R426-V445 PolarHBondContact O-N 3.33Å; R426-Y447 HydrophobicContact CG-CD1 4.33Å; R426-Y447 HydrophobicContact CG-CE1 4.3Å
427T96.9Very high95.5Very high42 Ų4234.8 Ų34.826%0.25819%0.187SC..EExtended strand (participates in β ladder)trans-92.1134.2166.2-54.20000108.5V113 C114 Q116V113-T427 CarbonylContact C-O 3.46Å; V113-T427 VanDerWaalsContact CA-O 3.24Å; V113-T427 WeakPolarHBondContact CA-O 3.43Å; C114-T427 PolarHBondContact N-O 2.87Å; C114-T427 PolarHBondContact O-N 2.92Å; Q116-T427 PolarHBondContact OE1-OG1 3.49Å
428V97.9Very high95.6Very high2 Ų232.6 Ų32.61%0.01218%0.178CC..EExtended strand (participates in β ladder)trans-78.2122.6177.6-177.50000109.9Q430 F432 I439 P440 G442 W443 V445V428-Q430 WeakPolarHBondContact CG1-O 3.49Å; V428-F432 HydrophobicContact CG1-CD1 4.04Å; V428-F432 HydrophobicContact CG1-CE1 3.87Å; V428-F432 HydrophobicContact CG2-CE1 4.29Å; V428-I439 HydrophobicContact CG1-CG2 4.42Å; V428-I439 HydrophobicContact CG2-CG2 3.65Å; V428-P440 WeakPolarHBondContact CB-O 3.28Å; V428-P440 WeakPolarHBondContact CG1-O 3.45Å; V428-G442 PolarHBondContact O-N 3.46Å; V428-W443 VanDerWaalsContact CG2-O 3.3Å; V428-W443 WeakPolarHBondContact CG2-O 3.28Å; V428-W443 PolarHBondContact N-O 3.15Å; V428-V445 HydrophobicContact CG2-CB 4.46Å; V428-V445 HydrophobicContact CG2-CG2 3.48Å; V428-V445 VanDerWaalsContact CG2-CG2 3.48Å
429L97.1Very high95.6Very high66 Ų6631.8 Ų31.835%0.34617%0.174SC..SBendtrans-88-31.5-178-63.5179.2000112.7L112 C114 K441L112-L429 PolarHBondContact O-N 3.13Å; C114-L429 HydrophobicContact CB-CD1 4.13Å; C114-L429 HydrophobicContact CB-CD2 4.14Å; C114-L429 HydrophobicContact CB-CG 4.28Å; L429-K441 VanDerWaalsContact O-CD 3.31Å; L429-K441 WeakPolarHBondContact O-CD 3.11Å; L429-K441 VanDerWaalsContact O-CE 3.24Å; L429-K441 WeakPolarHBondContact O-CE 3.43Å; L429-K441 WeakPolarHBondContact O-CG 3.36Å
430Q96.4Very high95.6Very high80 Ų8032 Ų3237%0.37418%0.175SC..SBendtrans-147.1147.9176.958.4-174.3-22.900109.4N111 L112 V428 F432N111-Q430 PolarHBondContact O-NE2 3.5Å; N111-Q430 PolarHBondContact OD1-NE2 3.05Å; L112-Q430 HydrophobicContact CD2-CG 4.01Å; V428-Q430 WeakPolarHBondContact CG1-O 3.49Å; Q430-F432 WeakPolarHBondContact O-CD1 3.45Å; Q430-F432 PolarHBondContact O-N 3.02Å
431T97.7Very high95.6Very high33 Ų3338.4 Ų38.420%0.20220%0.202CC..  trans-65132.8-179.8-58.60000110.4D42 C45 Q438 I439 K441D42-T431 HydrophobicContact CB-CG2 3.85Å; D42-T431 WeakPolarHBondContact OD2-CB 3.43Å; D42-T431 WeakPolarHBondContact OD2-CG2 3.37Å; D42-T431 PolarHBondContact OD2-OG1 3.4Å; C45-T431 HydrophobicContact CB-CG2 4Å; T431-Q438 HydrophobicContact CG2-CB 4.2Å; T431-I439 VanDerWaalsContact CA-O 3.27Å; T431-I439 WeakPolarHBondContact CA-O 3.48Å; T431-K441 PolarHBondContact OG1-N 3.34Å
432F97.5Very high95.7Very high14 Ų1438.5 Ų38.56%0.06121%0.213CC..EExtended strand (participates in β ladder)trans-142169.1176.967.9-84000111.6K104 I105 L112 V113 V428 Q430 L434 I439K104-F432 HydrophobicContact CD-CD2 4.27Å; I105-F432 HydrophobicContact CG1-CE2 4.45Å; I105-F432 HydrophobicContact CG1-CZ 4.25Å; L112-F432 HydrophobicContact CB-CD1 4.21Å; L112-F432 HydrophobicContact CB-CE1 4.31Å; L112-F432 HydrophobicContact CD1-CD2 4.42Å; L112-F432 HydrophobicContact CD1-CG 4.42Å; L112-F432 HydrophobicContact CD2-CB 3.98Å; L112-F432 HydrophobicContact CD2-CD1 4.39Å; L112-F432 HydrophobicContact CD2-CG 4.24Å; V113-F432 HydrophobicContact CG1-CE1 3.85Å; V113-F432 HydrophobicContact CG1-CZ 4.09Å; V428-F432 HydrophobicContact CG1-CD1 4.04Å; V428-F432 HydrophobicContact CG1-CE1 3.87Å; V428-F432 HydrophobicContact CG2-CE1 4.29Å; Q430-F432 WeakPolarHBondContact O-CD1 3.45Å; Q430-F432 PolarHBondContact O-N 3.02Å; F432-L434 HydrophobicContact CD2-CD2 4.38Å; F432-L434 HydrophobicContact CD2-CG 4.08Å; F432-L434 HydrophobicContact CE2-CD1 3.73Å; F432-L434 HydrophobicContact CE2-CD2 3.9Å; F432-L434 HydrophobicContact CE2-CG 3.56Å; F432-L434 HydrophobicContact CZ-CD1 4.27Å; F432-I439 HydrophobicContact CD1-CB 4.1Å; F432-I439 HydrophobicContact CD1-CG2 4.28Å; F432-I439 HydrophobicContact CD2-CB 4.4Å; F432-I439 HydrophobicContact CD2-CG1 4.29Å; F432-I439 HydrophobicContact CE1-CB 3.92Å; F432-I439 HydrophobicContact CE1-CG2 3.64Å; F432-I439 HydrophobicContact CE2-CB 4.26Å; F432-I439 HydrophobicContact CE2-CG1 4.05Å; F432-I439 HydrophobicContact CE2-CG2 4.43Å; F432-I439 HydrophobicContact CG-CB 4.34Å; F432-I439 HydrophobicContact CZ-CB 4.01Å; F432-I439 HydrophobicContact CZ-CG1 4.2Å; F432-I439 HydrophobicContact CZ-CG2 3.73Å; F432-I439 PolarHBondContact N-O 3.28Å; F432-I439 WeakPolarHBondContact O-CB 3.42Å; F432-I439 WeakPolarHBondContact O-CG1 3.15Å; F432-I439 PolarHBondContact O-N 2.85Å
433E96.4Very high96Very high70 Ų7038.5 Ų38.533%0.32721%0.211SC..EExtended strand (participates in β ladder)trans-97.2139-178.7-172.1-147.2151.300112.4F47 K104 G436 Y437F47-E433 HydrophobicContact CD1-CG 4.44Å; F47-E433 HydrophobicContact CD2-CB 4.06Å; F47-E433 HydrophobicContact CD2-CG 3.65Å; F47-E433 HydrophobicContact CE1-CG 4.35Å; F47-E433 HydrophobicContact CE2-CB 3.99Å; F47-E433 HydrophobicContact CE2-CG 3.54Å; F47-E433 WeakPolarHBondContact CE2-OE2 3.24Å; F47-E433 HydrophobicContact CG-CG 4.1Å; F47-E433 VanDerWaalsContact CZ-CD 3.44Å; F47-E433 HydrophobicContact CZ-CG 3.91Å; F47-E433 WeakPolarHBondContact CZ-OE2 3.13Å; K104-E433 WeakPolarHBondContact CE-O 3.4Å; K104-E433 PolarHBondContact NZ-O 3.5Å; E433-G436 WeakPolarHBondContact OE1-CA 3.42Å; E433-G436 PolarHBondContact OE1-N 3.15Å; E433-G436 VanDerWaalsContact OE1-N 3.1Å; E433-Y437 CarbonylContact C-O 3.53Å; E433-Y437 VanDerWaalsContact CA-O 3.27Å; E433-Y437 WeakPolarHBondContact CA-O 3.39Å
434L96.7Very high96.3Very high4 Ų438 Ų382%0.02121%0.205CC..EExtended strand (participates in β ladder)trans-135.2130.8161.3-66.6175.1000109.8V83 V96 N101 K104 I105 F432 G436 Y437 I439V83-L434 HydrophobicContact CG1-CB 4.43Å; V83-L434 HydrophobicContact CG2-CB 4.15Å; V96-L434 HydrophobicContact CG1-CD1 3.89Å; V96-L434 HydrophobicContact CG2-CD1 3.83Å; N101-L434 HydrophobicContact CB-CD2 4.21Å; K104-L434 HydrophobicContact CB-CD2 4.06Å; K104-L434 HydrophobicContact CD-CD2 3.75Å; K104-L434 HydrophobicContact CG-CD2 4.3Å; I105-L434 HydrophobicContact CD1-CD1 3.97Å; I105-L434 HydrophobicContact CG1-CD1 4.21Å; F432-L434 HydrophobicContact CD2-CD2 4.38Å; F432-L434 HydrophobicContact CD2-CG 4.08Å; F432-L434 HydrophobicContact CE2-CD1 3.73Å; F432-L434 HydrophobicContact CE2-CD2 3.9Å; F432-L434 HydrophobicContact CE2-CG 3.56Å; F432-L434 HydrophobicContact CZ-CD1 4.27Å; L434-G436 PolarHBondContact O-N 3.11Å; L434-Y437 PolarHBondContact N-O 3.39Å; L434-Y437 WeakPolarHBondContact O-CA 3.37Å; L434-Y437 WeakPolarHBondContact O-CB 3.31Å; L434-Y437 PolarHBondContact O-N 2.65Å; L434-I439 HydrophobicContact CB-CD1 4.12Å; L434-I439 HydrophobicContact CB-CG1 4.05Å; L434-I439 HydrophobicContact CD1-CD1 3.97Å; L434-I439 HydrophobicContact CD1-CG1 3.8Å; L434-I439 HydrophobicContact CG-CD1 4.27Å; L434-I439 HydrophobicContact CG-CG1 3.82Å
435D94.4Very high96.5Very high88 Ų8837.5 Ų37.547%0.47120%0.2SC..THydrogen-bonded Turntrans45.143.7-179.8-68.7-12.1000114V83 N101 Y437V83-D435 HydrophobicContact CG2-CB 4.06Å; N101-D435 VanDerWaalsContact ND2-CG 3.33Å; N101-D435 PolarHBondContact ND2-OD1 2.75Å; N101-D435 PolarHBondContact ND2-OD2 2.73Å; N101-D435 PolarHBondContact OD1-OD1 2.79Å; D435-Y437 VanDerWaalsContact C-N 3.26Å; D435-Y437 HydrophobicContact CB-CD2 4.39Å; D435-Y437 WeakPolarHBondContact O-CD2 3.39Å; D435-Y437 WeakPolarHBondContact O-CE2 3.14Å; D435-Y437 PolarHBondContact O-N 3.12Å
436G95.5Very high96.6Very high27 Ų2734.6 Ų34.628%0.27819%0.189SC..THydrogen-bonded Turntrans72.213-178.400000115.2F47 E433 L434F47-G436 WeakPolarHBondContact CB-O 3.26Å; F47-G436 WeakPolarHBondContact CD1-O 3.29Å; E433-G436 WeakPolarHBondContact OE1-CA 3.42Å; E433-G436 PolarHBondContact OE1-N 3.15Å; E433-G436 VanDerWaalsContact OE1-N 3.1Å; L434-G436 PolarHBondContact O-N 3.11Å
437Y97.1Very high96.6Very high53 Ų5334.8 Ų34.821%0.20819%0.19CC..EExtended strand (participates in β ladder)trans-115.1145.5175.6-60.4-73.2000112.3P48 L49 P50 N51 V83 E433 L434 D435P48-Y437 HydrophobicContact CG-CD1 4.02Å; P48-Y437 HydrophobicContact CG-CE1 4.26Å; P48-Y437 CarbonylContact O-C 3.49Å; P48-Y437 WeakPolarHBondContact O-CA 3.42Å; L49-Y437 WeakPolarHBondContact O-CD1 3.38Å; P50-Y437 VanDerWaalsContact CA-CD1 3.41Å; P50-Y437 HydrophobicContact CB-CD1 4.43Å; P50-Y437 HydrophobicContact CB-CG 4.21Å; P50-Y437 HydrophobicContact CG-CG 4.19Å; N51-Y437 PolarHBondContact ND2-OH 3.28Å; V83-Y437 HydrophobicContact CB-CD2 4.28Å; V83-Y437 HydrophobicContact CG1-CD2 4.33Å; E433-Y437 CarbonylContact C-O 3.53Å; E433-Y437 VanDerWaalsContact CA-O 3.27Å; E433-Y437 WeakPolarHBondContact CA-O 3.39Å; L434-Y437 PolarHBondContact N-O 3.39Å; L434-Y437 WeakPolarHBondContact O-CA 3.37Å; L434-Y437 WeakPolarHBondContact O-CB 3.31Å; L434-Y437 PolarHBondContact O-N 2.65Å; D435-Y437 VanDerWaalsContact C-N 3.26Å; D435-Y437 HydrophobicContact CB-CD2 4.39Å; D435-Y437 WeakPolarHBondContact O-CD2 3.39Å; D435-Y437 WeakPolarHBondContact O-CE2 3.14Å; D435-Y437 PolarHBondContact O-N 3.12Å
438Q96.8Very high96.5Very high0 Ų032.9 Ų32.90%018%0.178CC..EExtended strand (participates in β ladder)trans-76.9137.3171.166.9168.4-90.700111.2D42 C45 F47 P48 L49 P50 T431 P440D42-Q438 PolarHBondContact O-NE2 3.39Å; D42-Q438 PolarHBondContact O-OE1 2.85Å; C45-Q438 HydrophobicContact CB-CB 4.08Å; C45-Q438 VanDerWaalsContact SG-CB 3.51Å; F47-Q438 HydrophobicContact CB-CB 4.23Å; F47-Q438 WeakPolarHBondContact O-CG 3.37Å; F47-Q438 PolarHBondContact O-NE2 3.43Å; P48-Q438 WeakPolarHBondContact O-CG 3.37Å; P48-Q438 PolarHBondContact O-N 3.05Å; L49-Q438 HydrophobicContact CD2-CG 3.99Å; L49-Q438 HydrophobicContact CG-CG 4.4Å; P50-Q438 VanDerWaalsContact CD-O 3.27Å; P50-Q438 WeakPolarHBondContact CD-O 3.39Å; T431-Q438 HydrophobicContact CG2-CB 4.2Å; Q438-P440 HydrophobicContact CG-CG 4.49Å; Q438-P440 WeakPolarHBondContact O-CD 3.35Å
439I97.6Very high96.4Very high0 Ų033 Ų330%018%0.179CC..EExtended strand (participates in β ladder)trans-110.595.4174.3-51.5-57.3000106.2P50 V83 I94 V428 T431 F432 L434 V445P50-I439 HydrophobicContact CG-CD1 4.17Å; V83-I439 HydrophobicContact CG1-CD1 4Å; I94-I439 HydrophobicContact CD1-CB 4.3Å; I94-I439 HydrophobicContact CD1-CD1 3.83Å; I94-I439 HydrophobicContact CD1-CG2 3.83Å; I94-I439 HydrophobicContact CG2-CD1 3.74Å; V428-I439 HydrophobicContact CG1-CG2 4.42Å; V428-I439 HydrophobicContact CG2-CG2 3.65Å; T431-I439 VanDerWaalsContact CA-O 3.27Å; T431-I439 WeakPolarHBondContact CA-O 3.48Å; F432-I439 HydrophobicContact CD1-CB 4.1Å; F432-I439 HydrophobicContact CD1-CG2 4.28Å; F432-I439 HydrophobicContact CD2-CB 4.4Å; F432-I439 HydrophobicContact CD2-CG1 4.29Å; F432-I439 HydrophobicContact CE1-CB 3.92Å; F432-I439 HydrophobicContact CE1-CG2 3.64Å; F432-I439 HydrophobicContact CE2-CB 4.26Å; F432-I439 HydrophobicContact CE2-CG1 4.05Å; F432-I439 HydrophobicContact CE2-CG2 4.43Å; F432-I439 HydrophobicContact CG-CB 4.34Å; F432-I439 HydrophobicContact CZ-CB 4.01Å; F432-I439 HydrophobicContact CZ-CG1 4.2Å; F432-I439 HydrophobicContact CZ-CG2 3.73Å; F432-I439 PolarHBondContact N-O 3.28Å; F432-I439 WeakPolarHBondContact O-CB 3.42Å; F432-I439 WeakPolarHBondContact O-CG1 3.15Å; F432-I439 PolarHBondContact O-N 2.85Å; L434-I439 HydrophobicContact CB-CD1 4.12Å; L434-I439 HydrophobicContact CB-CG1 4.05Å; L434-I439 HydrophobicContact CD1-CD1 3.97Å; L434-I439 HydrophobicContact CD1-CG1 3.8Å; L434-I439 HydrophobicContact CG-CD1 4.27Å; L434-I439 HydrophobicContact CG-CG1 3.82Å; I439-V445 HydrophobicContact CG2-CG2 3.46Å; I439-V445 VanDerWaalsContact CG2-CG2 3.46Å
440P96.9Very high96.2Very high3 Ų331.8 Ų31.82%0.01917%0.17CC..  trans-70.9145.7-164.8-18.531.6000113.3L49 V428 Q438 G442 W443L49-P440 HydrophobicContact CD2-CG 3.4Å; L49-P440 VanDerWaalsContact CD2-CG 3.4Å; V428-P440 WeakPolarHBondContact CB-O 3.28Å; V428-P440 WeakPolarHBondContact CG1-O 3.45Å; Q438-P440 HydrophobicContact CG-CG 4.49Å; Q438-P440 WeakPolarHBondContact O-CD 3.35Å; P440-G442 PolarHBondContact O-N 3.34Å; P440-W443 HydrophobicContact CB-CD2 4.35Å; P440-W443 HydrophobicContact CB-CG 4.13Å; P440-W443 HydrophobicContact CG-CD2 4.09Å; P440-W443 HydrophobicContact CG-CG 4.33Å; P440-W443 HydrophobicContact CG-CZ2 4.44Å; P440-W443 WeakPolarHBondContact O-CB 3.36Å; P440-W443 PolarHBondContact O-N 2.93Å
441K96.8Very high96Very high146 Ų14628.2 Ų28.264%0.63515%0.153SC*.THydrogen-bonded Turntrans-50.9138170.5-179.9173.4179.4178.50112.2L429 T431 W443L429-K441 VanDerWaalsContact O-CD 3.31Å; L429-K441 WeakPolarHBondContact O-CD 3.11Å; L429-K441 VanDerWaalsContact O-CE 3.24Å; L429-K441 WeakPolarHBondContact O-CE 3.43Å; L429-K441 WeakPolarHBondContact O-CG 3.36Å; T431-K441 PolarHBondContact OG1-N 3.34Å; K441-W443 PolarHBondContact O-N 2.85Å
442G95.4Very high95.9Very high53 Ų5326.7 Ų26.755%0.54614%0.144SC..THydrogen-bonded Turntrans81.6-10.1177.900000114.9V428 P440V428-G442 PolarHBondContact O-N 3.46Å; P440-G442 PolarHBondContact O-N 3.34Å
443W96.1Very high95.8Very high11 Ų1126 Ų264%0.04214%0.141CC..  trans-76.5159.4174.8-72.841.4000111.1W37 L49 M54 K85 P92 I94 V428 P440 K441W37-W443 HydrophobicContact CE3-CH2 4.19Å; W37-W443 AromaticContact CE3-CZ2 3.82Å; W37-W443 HydrophobicContact CE3-CZ2 3.82Å; W37-W443 HydrophobicContact CZ3-CZ2 4.19Å; L49-W443 HydrophobicContact CD1-CH2 4.43Å; L49-W443 HydrophobicContact CD2-CH2 4.2Å; L49-W443 HydrophobicContact CD2-CZ2 4.49Å; M54-W443 HydrophobicContact CE-CH2 3.37Å; M54-W443 HydrophobicContact CE-CZ2 4.21Å; M54-W443 HydrophobicContact CE-CZ3 3.65Å; M54-W443 HydrophobicContact SD-CH2 4.42Å; M54-W443 HydrophobicContact SD-CZ3 4.42Å; K85-W443 HydrophobicContact CB-CZ3 4.31Å; P92-W443 HydrophobicContact CB-CD2 3.62Å; P92-W443 HydrophobicContact CB-CE3 3.57Å; P92-W443 HydrophobicContact CB-CG 4.23Å; P92-W443 HydrophobicContact CB-CH2 4.09Å; P92-W443 HydrophobicContact CB-CZ2 4.15Å; P92-W443 HydrophobicContact CB-CZ3 3.81Å; P92-W443 HydrophobicContact CG-CD2 3.84Å; P92-W443 HydrophobicContact CG-CE3 4.29Å; P92-W443 HydrophobicContact CG-CG 3.95Å; I94-W443 HydrophobicContact CD1-CE3 3.87Å; I94-W443 HydrophobicContact CD1-CZ3 4.47Å; I94-W443 HydrophobicContact CG1-CE3 3.93Å; I94-W443 HydrophobicContact CG1-CZ3 4.36Å; V428-W443 VanDerWaalsContact CG2-O 3.3Å; V428-W443 WeakPolarHBondContact CG2-O 3.28Å; V428-W443 PolarHBondContact N-O 3.15Å; P440-W443 HydrophobicContact CB-CD2 4.35Å; P440-W443 HydrophobicContact CB-CG 4.13Å; P440-W443 HydrophobicContact CG-CD2 4.09Å; P440-W443 HydrophobicContact CG-CG 4.33Å; P440-W443 HydrophobicContact CG-CZ2 4.44Å; P440-W443 WeakPolarHBondContact O-CB 3.36Å; P440-W443 PolarHBondContact O-N 2.93Å; K441-W443 PolarHBondContact O-N 2.85Å
444S96.9Very high95.5Very high7 Ų725.4 Ų25.45%0.04914%0.138CC..EExtended strand (participates in β ladder)trans-86.6140.4169.8-72.40000110.1P92 V93 I94 Q116 R426P92-S444 PolarHBondContact O-N 3.5Å; P92-S444 VanDerWaalsContact O-N 3.12Å; V93-S444 CarbonylContact C-O 3.6Å; V93-S444 VanDerWaalsContact CA-O 3.28Å; V93-S444 WeakPolarHBondContact CA-O 3.09Å; I94-S444 PolarHBondContact N-O 3.24Å; Q116-S444 VanDerWaalsContact CD-OG 3.29Å; Q116-S444 PolarHBondContact NE2-OG 2.85Å; Q116-S444 PolarHBondContact OE1-OG 2.96Å; R426-S444 CarbonylContact O-C 3.57Å; R426-S444 WeakPolarHBondContact O-CA 3.32Å
445V97.3Very high95.1Very high0 Ų028.2 Ų28.20%016%0.155CC..EExtended strand (participates in β ladder)trans-116.4132.7168.2169.50000107.9I94 V96 I105 Y425 R426 V428 I439I94-V445 HydrophobicContact CB-CG2 4.16Å; I94-V445 CarbonylContact O-C 3.56Å; I94-V445 VanDerWaalsContact O-CA 3.31Å; I94-V445 WeakPolarHBondContact O-CA 3.36Å; V96-V445 HydrophobicContact CB-CG1 4.35Å; V96-V445 HydrophobicContact CG2-CG1 3.79Å; I105-V445 HydrophobicContact CD1-CG1 3.52Å; I105-V445 HydrophobicContact CG1-CG1 4.3Å; Y425-V445 CarbonylContact C-O 3.54Å; Y425-V445 WeakPolarHBondContact CA-O 3.42Å; R426-V445 HydrophobicContact CB-CB 4.43Å; R426-V445 PolarHBondContact N-O 2.89Å; R426-V445 PolarHBondContact O-N 3.33Å; V428-V445 HydrophobicContact CG2-CB 4.46Å; V428-V445 HydrophobicContact CG2-CG2 3.48Å; V428-V445 VanDerWaalsContact CG2-CG2 3.48Å; I439-V445 HydrophobicContact CG2-CG2 3.46Å; I439-V445 VanDerWaalsContact CG2-CG2 3.46Å
446M95.6Very high95Very high12 Ų1224.5 Ų24.56%0.05914%0.137CC..EExtended strand (participates in β ladder)trans-118.4101.7173.7-176.5-163.9179.200108.4V93 I94 R95 V96 G424 Y425V93-M446 HydrophobicContact CG1-CB 3.95Å; I94-M446 PolarHBondContact O-N 2.71Å; R95-M446 VanDerWaalsContact CD-SD 3.5Å; R95-M446 PolarHBondContact NH1-O 3.05Å; R95-M446 PolarHBondContact NH1-SD 3.47Å; V96-M446 PolarHBondContact N-O 2.92Å; V96-M446 VanDerWaalsContact N-O 3.1Å; G424-M446 WeakPolarHBondContact O-CA 3.2Å; Y425-M446 HydrophobicContact CD1-CB 3.9Å; Y425-M446 HydrophobicContact CD1-CG 4.14Å; Y425-M446 HydrophobicContact CD2-CG 4.4Å; Y425-M446 HydrophobicContact CE1-CB 3.77Å; Y425-M446 HydrophobicContact CE1-CG 3.83Å; Y425-M446 HydrophobicContact CE1-SD 3.92Å; Y425-M446 HydrophobicContact CE2-CE 4.12Å; Y425-M446 HydrophobicContact CE2-CG 4.11Å; Y425-M446 HydrophobicContact CE2-SD 4.11Å; Y425-M446 HydrophobicContact CG-CG 4.42Å; Y425-M446 VanDerWaalsContact CZ-SD 3.53Å; Y425-M446 PolarHBondContact OH-SD 3.38Å; Y425-M446 VanDerWaalsContact OH-SD 3.34Å
447Y95.9Very high94.7Very high19 Ų1928.2 Ų28.28%0.07517%0.165CC..EExtended strand (participates in β ladder)trans-78.3149.8174.569.9-93.4000110.4V96 I102 I105 L106 G423 G424 R426 I449V96-Y447 CarbonylContact O-C 3.59Å; V96-Y447 VanDerWaalsContact O-CA 3.26Å; V96-Y447 WeakPolarHBondContact O-CA 3.36Å; I102-Y447 HydrophobicContact CD1-CD2 4.2Å; I102-Y447 HydrophobicContact CG2-CD2 4.17Å; I105-Y447 HydrophobicContact CG2-CD1 4.12Å; L106-Y447 HydrophobicContact CD2-CD1 4.3Å; L106-Y447 HydrophobicContact CD2-CD2 4.45Å; L106-Y447 HydrophobicContact CD2-CE1 3.78Å; L106-Y447 HydrophobicContact CD2-CE2 3.96Å; G423-Y447 WeakPolarHBondContact CA-O 3.48Å; G424-Y447 PolarHBondContact N-O 3.07Å; G424-Y447 WeakPolarHBondContact O-CD1 3.34Å; G424-Y447 WeakPolarHBondContact O-CE1 3.32Å; G424-Y447 PolarHBondContact O-N 2.67Å; G424-Y447 VanDerWaalsContact O-N 3.13Å; R426-Y447 HydrophobicContact CG-CD1 4.33Å; R426-Y447 HydrophobicContact CG-CE1 4.3Å; Y447-I449 HydrophobicContact CD2-CG1 4.27Å; Y447-I449 HydrophobicContact CE2-CD1 4.08Å; Y447-I449 HydrophobicContact CE2-CG1 3.89Å
448S94.9Very high94.4Very high3 Ų327.4 Ų27.42%0.02117%0.165CC..EExtended strand (participates in β ladder)trans-118.9112.8-178.4-143.60000112.3R95 V96 I102 S422 D451 T452R95-S448 PolarHBondContact NH2-OG 3.1Å; V96-S448 PolarHBondContact O-N 3.43Å; I102-S448 WeakPolarHBondContact CD1-O 3.1Å; S422-S448 CarbonylContact O-C 3.5Å; S422-S448 WeakPolarHBondContact O-CA 3.35Å; S448-D451 WeakPolarHBondContact CB-OD2 3.34Å; S448-D451 PolarHBondContact OG-OD2 3.41Å; S448-T452 VanDerWaalsContact O-CB 3.29Å; S448-T452 WeakPolarHBondContact O-CB 3.22Å; S448-T452 PolarHBondContact O-N 2.94Å; S448-T452 PolarHBondContact O-OG1 3.35Å
449I95.4Very high94.2Very high4 Ų427.7 Ų27.72%0.02117%0.167CC..Hα-helixtrans-68.2-54173.6-68.6169.4000109.3P419 S422 Y447 D451 T452 H453 V485P419-I449 HydrophobicContact CB-CG2 4Å; P419-I449 HydrophobicContact CG-CG2 4.26Å; S422-I449 PolarHBondContact O-N 2.94Å; Y447-I449 HydrophobicContact CD2-CG1 4.27Å; Y447-I449 HydrophobicContact CE2-CD1 4.08Å; Y447-I449 HydrophobicContact CE2-CG1 3.89Å; I449-D451 PolarHBondContact O-N 3.35Å; I449-T452 WeakPolarHBondContact O-CB 3.46Å; I449-T452 PolarHBondContact O-N 3.37Å; I449-T452 VanDerWaalsContact O-N 3.1Å; I449-H453 VanDerWaalsContact CG2-CE1 3.44Å; I449-H453 WeakPolarHBondContact CG2-CE1 3.44Å; I449-H453 PolarHBondContact O-N 2.63Å; I449-V485 HydrophobicContact CG1-CG2 4.3Å; I449-V485 HydrophobicContact CG2-CG2 4.32Å; I449-V485 WeakPolarHBondContact CG2-O 3.48Å
450R93.1Very high93.9Very high40 Ų4034.3 Ų34.315%0.15120%0.198CC..Hα-helixtrans-53.1-56.5-177.2177.5174.5175.3-91.7-6.3111.6P419 S422 T452 H453 E454P419-R450 HydrophobicContact CG-CB 3.8Å; P419-R450 HydrophobicContact CG-CG 4.33Å; S422-R450 PolarHBondContact O-N 2.99Å; R450-T452 PolarHBondContact O-N 3.38Å; R450-H453 WeakPolarHBondContact O-CB 3.27Å; R450-H453 PolarHBondContact O-N 3.25Å; R450-H453 VanDerWaalsContact O-N 3.07Å; R450-E454 HydrophobicContact CG-CG 4.5Å; R450-E454 IonicContact CZ-OE1 2.81Å; R450-E454 IonicContact CZ-OE2 3.03Å; R450-E454 IonicContact NE-OE1 2.73Å; R450-E454 PolarHBondContact NE-OE1 3.14Å; R450-E454 VanDerWaalsContact NE-OE1 3.12Å; R450-E454 IonicContact NH1-OE1 3.61Å; R450-E454 IonicContact NH1-OE2 3.57Å; R450-E454 IonicContact NH2-OE1 2.68Å; R450-E454 PolarHBondContact NH2-OE1 3.28Å; R450-E454 IonicContact NH2-OE2 3.73Å; R450-E454 WeakPolarHBondContact O-CG 3.08Å; R450-E454 PolarHBondContact O-N 2.81Å
451D93Very high93.7Very high6 Ų637.1 Ų37.13%0.03222%0.217CC..Hα-helixtrans-66.3-29.4-176.1-47-30.1000112.1R77 R95 T97 S448 I449 H453 E454 T455R77-D451 VanDerWaalsContact CZ-CG 3.42Å; R77-D451 IonicContact CZ-OD2 3.73Å; R77-D451 IonicContact NH1-OD2 2.73Å; R77-D451 PolarHBondContact NH1-OD2 3.31Å; R77-D451 VanDerWaalsContact NH2-CB 3.31Å; R77-D451 IonicContact NH2-OD1 3.53Å; R77-D451 PolarHBondContact NH2-OD1 2.95Å; R77-D451 IonicContact NH2-OD2 3.56Å; R77-D451 PolarHBondContact NH2-OD2 3.18Å; R95-D451 IonicContact NH2-OD2 2.63Å; R95-D451 PolarHBondContact NH2-OD2 2.95Å; R95-D451 VanDerWaalsContact NH2-OD2 3.11Å; T97-D451 HydrophobicContact CG2-CB 3.85Å; S448-D451 WeakPolarHBondContact CB-OD2 3.34Å; S448-D451 PolarHBondContact OG-OD2 3.41Å; I449-D451 PolarHBondContact O-N 3.35Å; D451-H453 VanDerWaalsContact C-N 3.35Å; D451-E454 PolarHBondContact O-N 3.39Å; D451-T455 WeakPolarHBondContact O-CB 3.35Å; D451-T455 WeakPolarHBondContact O-CG2 3.4Å; D451-T455 PolarHBondContact O-N 2.89Å; D451-T455 PolarHBondContact O-OG1 2.71Å
452T94.4Very high93.5Very high0 Ų031.6 Ų31.60%020%0.196CC..Hα-helixtrans-67.8-38.7175.2-63.20000111.1G98 I102 S448 I449 R450 E454 A456G98-T452 PolarHBondContact N-OG1 3Å; I102-T452 HydrophobicContact CD1-CG2 4.41Å; I102-T452 WeakPolarHBondContact CD1-OG1 3.43Å; S448-T452 VanDerWaalsContact O-CB 3.29Å; S448-T452 WeakPolarHBondContact O-CB 3.22Å; S448-T452 PolarHBondContact O-N 2.94Å; S448-T452 PolarHBondContact O-OG1 3.35Å; I449-T452 WeakPolarHBondContact O-CB 3.46Å; I449-T452 PolarHBondContact O-N 3.37Å; I449-T452 VanDerWaalsContact O-N 3.1Å; R450-T452 PolarHBondContact O-N 3.38Å; T452-E454 VanDerWaalsContact C-N 3.3Å; T452-A456 WeakPolarHBondContact O-CB 3.34Å; T452-A456 PolarHBondContact O-N 3.04Å
453H94.8Very high93.4Very high0 Ų035.1 Ų35.10%020%0.198CC..Hα-helixtrans-67.4-30171.8-63.1174.7000113R416 I449 R450 D451 F459 N483 V485R416-H453 HydrophobicContact CG-CB 3.84Å; R416-H453 PolarHBondContact O-ND1 2.82Å; R416-H453 VanDerWaalsContact O-ND1 3.11Å; I449-H453 VanDerWaalsContact CG2-CE1 3.44Å; I449-H453 WeakPolarHBondContact CG2-CE1 3.44Å; I449-H453 PolarHBondContact O-N 2.63Å; R450-H453 WeakPolarHBondContact O-CB 3.27Å; R450-H453 PolarHBondContact O-N 3.25Å; R450-H453 VanDerWaalsContact O-N 3.07Å; D451-H453 VanDerWaalsContact C-N 3.35Å; H453-F459 WeakPolarHBondContact O-CD2 3.47Å; H453-N483 PolarHBondContact CD2-O 3.26Å; H453-N483 VanDerWaalsContact CD2-O 3.29Å; H453-V485 PolarHBondContact NE2-N 2.82Å
454E91Very high93.4Very high58 Ų5838.8 Ų38.827%0.27122%0.218SC..Hα-helixtrans-77.2-31.2177.5-71.1176.1168.500112.6R450 D451 T452 P462R450-E454 HydrophobicContact CG-CG 4.5Å; R450-E454 IonicContact CZ-OE1 2.81Å; R450-E454 IonicContact CZ-OE2 3.03Å; R450-E454 IonicContact NE-OE1 2.73Å; R450-E454 PolarHBondContact NE-OE1 3.14Å; R450-E454 VanDerWaalsContact NE-OE1 3.12Å; R450-E454 IonicContact NH1-OE1 3.61Å; R450-E454 IonicContact NH1-OE2 3.57Å; R450-E454 IonicContact NH2-OE1 2.68Å; R450-E454 PolarHBondContact NH2-OE1 3.28Å; R450-E454 IonicContact NH2-OE2 3.73Å; R450-E454 WeakPolarHBondContact O-CG 3.08Å; R450-E454 PolarHBondContact O-N 2.81Å; D451-E454 PolarHBondContact O-N 3.39Å; T452-E454 VanDerWaalsContact C-N 3.3Å; E454-P462 WeakPolarHBondContact O-CB 3.45Å; E454-P462 WeakPolarHBondContact O-CG 3.21Å
455T89.2Confident93.4Very high63 Ų6339 Ų3939%0.38722%0.218SC..Hα-helixtrans-109.4-2.4-174.266.90000114.4D451 A457D451-T455 WeakPolarHBondContact O-CB 3.35Å; D451-T455 WeakPolarHBondContact O-CG2 3.4Å; D451-T455 PolarHBondContact O-N 2.89Å; D451-T455 PolarHBondContact O-OG1 2.71Å; T455-A457 PolarHBondContact O-N 2.81Å
456A90.6Very high93.4Very high10 Ų1040.8 Ų40.88%0.08323%0.227CC..  trans-66.4122.9178.600000109.9T452 V458 F459 N483T452-A456 WeakPolarHBondContact O-CB 3.34Å; T452-A456 PolarHBondContact O-N 3.04Å; A456-V458 HydrophobicContact CB-CG2 4.18Å; A456-V458 PolarHBondContact O-N 2.66Å; A456-F459 HydrophobicContact CB-CD2 3.98Å; A456-F459 HydrophobicContact CB-CE2 4.42Å; A456-F459 PolarHBondContact O-N 3.08Å; A456-N483 HydrophobicContact CB-CB 4.29Å
457A89.4Confident93.5Very high104 Ų10440.3 Ų40.386%0.8623%0.225SC*.THydrogen-bonded Turntrans-60.5-16.5-175.700000114.5T455 F459T455-A457 PolarHBondContact O-N 2.81Å; A457-F459 VanDerWaalsContact C-N 3.35Å
458V90.9Very high93.6Very high36 Ų3642.2 Ų42.222%0.21824%0.237CC..THydrogen-bonded Turntrans-73.9-25.7177-59.30000112.8A456 T479 N483A456-V458 HydrophobicContact CB-CG2 4.18Å; A456-V458 PolarHBondContact O-N 2.66Å; V458-T479 WeakPolarHBondContact CG1-OG1 3.09Å; V458-N483 WeakPolarHBondContact CG1-ND2 3.35Å; V458-N483 HydrophobicContact CG2-CB 3.63Å
459F92.7Very high93.6Very high7 Ų742 Ų423%0.03124%0.236CC..SBendtrans-91.6106.9179.6-64.7-53.1000110.2R416 H453 A456 A457 P462 F470 E476 N483 Y484R416-F459 HydrophobicContact CG-CE2 4.15Å; R416-F459 HydrophobicContact CG-CZ 4.22Å; H453-F459 WeakPolarHBondContact O-CD2 3.47Å; A456-F459 HydrophobicContact CB-CD2 3.98Å; A456-F459 HydrophobicContact CB-CE2 4.42Å; A456-F459 PolarHBondContact O-N 3.08Å; A457-F459 VanDerWaalsContact C-N 3.35Å; F459-P462 HydrophobicContact CB-CB 4.38Å; F459-F470 HydrophobicContact CE1-CE1 4.43Å; F459-F470 HydrophobicContact CE1-CZ 4.22Å; F459-F470 HydrophobicContact CZ-CZ 4.48Å; F459-E476 WeakPolarHBondContact CA-OE2 3.39Å; F459-E476 HydrophobicContact CD1-CB 4Å; F459-E476 HydrophobicContact CE1-CB 4.16Å; F459-N483 WeakPolarHBondContact CE2-O 3.4Å; F459-Y484 HydrophobicContact CZ-CD2 4.3Å
460Q90.9Very high93.5Very high139 Ų13942.5 Ų42.565%0.6524%0.237SC*.SBendtrans-77.2138.3176.8-60-178.916.100110R469 E476Q460-R469 PolarHBondContact O-NH1 3.37Å; Q460-R469 PolarHBondContact O-NH2 2.88Å; Q460-E476 PolarHBondContact N-OE2 3.41Å
461S93.2Very high93.6Very high61 Ų6141.5 Ų41.543%0.42724%0.24SC..SBendtrans44.460.6-175.4-520000112.1E463 I464 R469S461-E463 PolarHBondContact O-N 3.44Å; S461-E463 VanDerWaalsContact O-N 3.07Å; S461-I464 PolarHBondContact O-N 2.9Å; S461-R469 PolarHBondContact O-NH2 2.81Å
462P92.9Very high93.3Very high31 Ų3145.8 Ų45.820%0.20127%0.27CS..THydrogen-bonded Turntrans-62.5-18-169.526.4-35.5000114.1R416 E454 F459 I464R416-P462 PolarHBondContact NH1-O 3.39Å; R416-P462 PolarHBondContact NH2-O 2.75Å; E454-P462 WeakPolarHBondContact O-CB 3.45Å; E454-P462 WeakPolarHBondContact O-CG 3.21Å; F459-P462 HydrophobicContact CB-CB 4.38Å; P462-I464 VanDerWaalsContact C-N 3.31Å
463E93.2Very high92.9Very high127 Ų12754.9 Ų54.959%0.59331%0.313SS*.THydrogen-bonded Turntrans-74.9-14173.971.9-71.4168.300114.3F417 S461F417-E463 VanDerWaalsContact CE2-O 3.26Å; F417-E463 WeakPolarHBondContact CE2-O 3.4Å; F417-E463 WeakPolarHBondContact CZ-O 3.41Å; S461-E463 PolarHBondContact O-N 3.44Å; S461-E463 VanDerWaalsContact O-N 3.07Å
464I95.9Very high92.5Very high88 Ų8859.5 Ų59.545%0.45133%0.33SS..SBendtrans-94.6129.7177.3-56-179.4000109.3R416 S461 P462 D466 R469R416-I464 PolarHBondContact NH2-O 3.19Å; S461-I464 PolarHBondContact O-N 2.9Å; P462-I464 VanDerWaalsContact C-N 3.31Å; I464-D466 HydrophobicContact CG2-CB 4.39Å; I464-D466 PolarHBondContact O-N 3.49Å; I464-R469 PolarHBondContact O-NH2 3.33Å
465F97.8Very high92.2Very high11 Ų1159.8 Ų59.85%0.04833%0.332CS..  trans-75.2108.7169.7-178.2-93.8000109.4Q311 H315 V318 E413 V414 F417 P467Q311-F465 HydrophobicContact CB-CD1 4.33Å; Q311-F465 HydrophobicContact CB-CD2 4.11Å; Q311-F465 HydrophobicContact CB-CE1 3.94Å; Q311-F465 HydrophobicContact CB-CE2 3.7Å; Q311-F465 HydrophobicContact CB-CG 4.42Å; Q311-F465 HydrophobicContact CB-CZ 3.61Å; Q311-F465 HydrophobicContact CG-CD2 3.74Å; Q311-F465 HydrophobicContact CG-CE2 3.57Å; Q311-F465 HydrophobicContact CG-CG 4.34Å; Q311-F465 HydrophobicContact CG-CZ 4.06Å; H315-F465 HydrophobicContact CB-CD1 4.45Å; H315-F465 AromaticContact CD2-CD1 3.39Å; H315-F465 WeakPolarHBondContact CD2-CD1 3.21Å; H315-F465 AromaticContact CD2-CG 3.92Å; H315-F465 AromaticContact CG-CD1 3.83Å; H315-F465 AromaticContact NE2-CD1 3.8Å; H315-F465 AromaticContact NE2-CG 3.91Å; V318-F465 HydrophobicContact CG1-CE1 4.45Å; V318-F465 HydrophobicContact CG2-CE1 4.32Å; E413-F465 HydrophobicContact CB-CD2 4.47Å; E413-F465 HydrophobicContact CB-CE2 3.93Å; E413-F465 HydrophobicContact CB-CZ 4.24Å; E413-F465 HydrophobicContact CG-CD2 3.49Å; E413-F465 VanDerWaalsContact CG-CD2 3.49Å; E413-F465 HydrophobicContact CG-CE2 3.43Å; E413-F465 VanDerWaalsContact CG-CE2 3.43Å; E413-F465 HydrophobicContact CG-CG 4.08Å; E413-F465 HydrophobicContact CG-CZ 3.98Å; V414-F465 HydrophobicContact CG2-CE2 3.83Å; V414-F465 HydrophobicContact CG2-CZ 3.94Å; F417-F465 HydrophobicContact CB-CD2 4.22Å; F417-F465 HydrophobicContact CD1-CD2 4.26Å; F417-F465 HydrophobicContact CG-CD2 4.26Å; F465-P467 HydrophobicContact CD1-CG 4.37Å; F465-P467 HydrophobicContact CE1-CG 3.67Å; F465-P467 HydrophobicContact CZ-CG 4.05Å
466D97.5Very high92Very high37 Ų3757.4 Ų57.420%0.19832%0.316CS..  trans-142.695.5-172.3173.712.1000110.3E413 I464 D468 R469 R474E413-D466 PolarHBondContact OE1-N 3Å; I464-D466 HydrophobicContact CG2-CB 4.39Å; I464-D466 PolarHBondContact O-N 3.49Å; D466-D468 VanDerWaalsContact C-N 3.28Å; D466-D468 PolarHBondContact O-N 3.14Å; D466-D468 WeakPolarHBondContact OD1-CB 3.07Å; D466-D468 PolarHBondContact OD1-N 2.94Å; D466-D468 VanDerWaalsContact OD1-N 3.16Å; D466-R469 WeakPolarHBondContact O-CG 3.4Å; D466-R469 PolarHBondContact O-N 2.76Å; D466-R469 PolarHBondContact O-NE 3.03Å; D466-R474 IonicContact OD1-CZ 2.95Å; D466-R474 IonicContact OD1-NH2 2.84Å; D466-R474 PolarHBondContact OD1-NH2 3.46Å; D466-R474 IonicContact OD2-CZ 2.81Å; D466-R474 IonicContact OD2-NH1 2.86Å; D466-R474 PolarHBondContact OD2-NH1 2.84Å; D466-R474 IonicContact OD2-NH2 3.95Å; D466-R474 PolarHBondContact OD2-NH2 3.21Å
467P97.9Very high91.5Very high3 Ų358.1 Ų58.12%0.01932%0.321CS..G310 helixtrans-60.3-33.1178.3-28.137.6000114.3V318 Y406 C409 V410 E413 F465 R469 F470V318-P467 HydrophobicContact CG1-CG 3.87Å; V318-P467 HydrophobicContact CG2-CG 3.92Å; Y406-P467 HydrophobicContact CE2-CB 4.2Å; C409-P467 HydrophobicContact CB-CB 4.25Å; C409-P467 WeakPolarHBondContact CB-O 3.15Å; V410-P467 HydrophobicContact CG2-CB 3.91Å; V410-P467 HydrophobicContact CG2-CG 3.9Å; E413-P467 HydrophobicContact CB-CG 4.43Å; F465-P467 HydrophobicContact CD1-CG 4.37Å; F465-P467 HydrophobicContact CE1-CG 3.67Å; F465-P467 HydrophobicContact CZ-CG 4.05Å; P467-R469 PolarHBondContact O-N 3.17Å; P467-F470 PolarHBondContact O-N 3.39Å
468D96Very high90.8Very high58 Ų5860 Ų6031%0.3131%0.309SS..G310 helixtrans-62-14.4-174-71.7-41.2000111.9K321 Y406 D466 F470 G471 R474K321-D468 IonicContact NZ-OD1 3.61Å; K321-D468 IonicContact NZ-OD2 3.33Å; K321-D468 PolarHBondContact NZ-OD2 3.34Å; Y406-D468 WeakPolarHBondContact CE2-OD1 3.28Å; D466-D468 VanDerWaalsContact C-N 3.28Å; D466-D468 PolarHBondContact O-N 3.14Å; D466-D468 WeakPolarHBondContact OD1-CB 3.07Å; D466-D468 PolarHBondContact OD1-N 2.94Å; D466-D468 VanDerWaalsContact OD1-N 3.16Å; D468-F470 PolarHBondContact O-N 3.22Å; D468-G471 PolarHBondContact O-N 3.04Å; D468-R474 PolarHBondContact O-NE 2.89Å
469R95Very high89.9Confident0 Ų062.3 Ų62.30%032%0.323CS..G310 helixtrans-63.6-24.3174.780.2175.664.6-1059.5113.8E413 Q460 S461 I464 D466 P467 R474 E475 E476E413-R469 IonicContact OE1-CZ 3.17Å; E413-R469 IonicContact OE1-NE 2.7Å; E413-R469 PolarHBondContact OE1-NE 3.5Å; E413-R469 IonicContact OE1-NH2 3.51Å; E413-R469 VanDerWaalsContact OE2-CD 3.22Å; E413-R469 WeakPolarHBondContact OE2-CD 3.42Å; E413-R469 IonicContact OE2-NE 3.93Å; E413-R469 PolarHBondContact OE2-NE 2.87Å; Q460-R469 PolarHBondContact O-NH1 3.37Å; Q460-R469 PolarHBondContact O-NH2 2.88Å; S461-R469 PolarHBondContact O-NH2 2.81Å; I464-R469 PolarHBondContact O-NH2 3.33Å; D466-R469 WeakPolarHBondContact O-CG 3.4Å; D466-R469 PolarHBondContact O-N 2.76Å; D466-R469 PolarHBondContact O-NE 3.03Å; P467-R469 PolarHBondContact O-N 3.17Å; R469-R474 VanDerWaalsContact CA-CZ 3.44Å; R469-R474 VanDerWaalsContact N-CZ 3.3Å; R469-E475 PolarHBondContact O-N 2.84Å; R469-E476 HydrophobicContact CB-CG 4.39Å; R469-E476 IonicContact CZ-OE2 2.59Å; R469-E476 IonicContact NH1-OE1 3.5Å; R469-E476 IonicContact NH1-OE2 2.63Å; R469-E476 PolarHBondContact NH1-OE2 3.19Å; R469-E476 PolarHBondContact O-N 3.36Å; R469-E476 VanDerWaalsContact O-N 3.07Å
470F95.3Very high89Confident13 Ų1364 Ų646%0.05734%0.343CS..G310 helixtrans-94.4-4.8175.3-65.5-81.9000113C409 K412 E413 R416 F459 P467 D468 S477 Y484C409-F470 HydrophobicContact CB-CB 4.05Å; C409-F470 VanDerWaalsContact SG-C 3.54Å; K412-F470 HydrophobicContact CB-CB 4.38Å; K412-F470 HydrophobicContact CB-CD1 3.77Å; K412-F470 HydrophobicContact CB-CD2 3.72Å; K412-F470 HydrophobicContact CB-CE1 3.85Å; K412-F470 HydrophobicContact CB-CE2 3.84Å; K412-F470 HydrophobicContact CB-CG 3.69Å; K412-F470 HydrophobicContact CB-CZ 3.91Å; K412-F470 HydrophobicContact CD-CB 4.04Å; K412-F470 HydrophobicContact CD-CD1 3.72Å; K412-F470 HydrophobicContact CD-CE1 4.35Å; K412-F470 HydrophobicContact CD-CG 3.95Å; K412-F470 HydrophobicContact CG-CD1 4.27Å; K412-F470 HydrophobicContact CG-CE1 4.49Å; K412-F470 HydrophobicContact CG-CG 4.47Å; E413-F470 HydrophobicContact CB-CD2 4.12Å; E413-F470 HydrophobicContact CB-CE2 3.88Å; E413-F470 VanDerWaalsContact OE2-CE2 3.27Å; E413-F470 WeakPolarHBondContact OE2-CE2 3.27Å; R416-F470 HydrophobicContact CB-CE2 4.4Å; R416-F470 HydrophobicContact CB-CZ 4.07Å; R416-F470 HydrophobicContact CG-CZ 4.48Å; F459-F470 HydrophobicContact CE1-CE1 4.43Å; F459-F470 HydrophobicContact CE1-CZ 4.22Å; F459-F470 HydrophobicContact CZ-CZ 4.48Å; P467-F470 PolarHBondContact O-N 3.39Å; D468-F470 PolarHBondContact O-N 3.22Å; F470-S477 WeakPolarHBondContact CD1-OG 3.27Å; F470-S477 VanDerWaalsContact CE1-CB 3.43Å; F470-Y484 AromaticContact CE1-CD2 3.99Å; F470-Y484 HydrophobicContact CE1-CD2 3.99Å; F470-Y484 HydrophobicContact CE1-CE2 4.01Å; F470-Y484 HydrophobicContact CE1-CG 4.27Å; F470-Y484 AromaticContact CZ-CD2 3.94Å; F470-Y484 HydrophobicContact CZ-CD2 3.94Å; F470-Y484 AromaticContact CZ-CE2 3.79Å; F470-Y484 HydrophobicContact CZ-CE2 3.79Å
471G93.4Very high88.4Confident19 Ų1968.5 Ų68.520%0.19635%0.354CS..SBendtrans-67.8162.7176.800000112.4D468 E473 R474 E475D468-G471 PolarHBondContact O-N 3.04Å; G471-E473 PolarHBondContact O-N 3.23Å; G471-E473 VanDerWaalsContact O-N 3.11Å; G471-R474 PolarHBondContact O-N 3.43Å; G471-E475 VanDerWaalsContact O-CG 3.27Å; G471-E475 WeakPolarHBondContact O-CG 3.5Å; G471-E475 PolarHBondContact O-N 3.39Å
472S86.6Confident88.3Confident97 Ų9766.7 Ų66.768%0.67834%0.338SS*.THydrogen-bonded Turntrans-60.8-21.1-174.848.70000114.9E475S472-E475 WeakPolarHBondContact O-CG 3.49Å
473E86.9Confident88.3Confident191 Ų19166.4 Ų66.489%0.89334%0.335SS*.THydrogen-bonded Turntrans-79.7-33.1179.9-62.8-176170.700112.9G471G471-E473 PolarHBondContact O-N 3.23Å; G471-E473 VanDerWaalsContact O-N 3.11Å
474R87.4Confident88.4Confident96 Ų9662.3 Ų62.336%0.36231%0.314SS..THydrogen-bonded Turntrans-107.7-44.6-175-73-164.1-74.4172.1-20.9113.6D466 D468 R469 G471 E476D466-R474 IonicContact OD1-CZ 2.95Å; D466-R474 IonicContact OD1-NH2 2.84Å; D466-R474 PolarHBondContact OD1-NH2 3.46Å; D466-R474 IonicContact OD2-CZ 2.81Å; D466-R474 IonicContact OD2-NH1 2.86Å; D466-R474 PolarHBondContact OD2-NH1 2.84Å; D466-R474 IonicContact OD2-NH2 3.95Å; D466-R474 PolarHBondContact OD2-NH2 3.21Å; D468-R474 PolarHBondContact O-NE 2.89Å; R469-R474 VanDerWaalsContact CA-CZ 3.44Å; R469-R474 VanDerWaalsContact N-CZ 3.3Å; G471-R474 PolarHBondContact O-N 3.43Å; R474-E476 HydrophobicContact CB-CG 4.26Å; R474-E476 IonicContact CZ-OE1 3.9Å; R474-E476 IonicContact NE-OE1 3.18Å; R474-E476 IonicContact NH1-OE1 2.65Å; R474-E476 PolarHBondContact NH1-OE1 3.17Å; R474-E476 PolarHBondContact O-N 3.36Å
475E82.9Confident88.4Confident65 Ų6558.3 Ų58.330%0.30429%0.294SS..  trans45.436.6176.8-54.5-165.1143.900115R469 G471 S472 S477 K478R469-E475 PolarHBondContact O-N 2.84Å; G471-E475 VanDerWaalsContact O-CG 3.27Å; G471-E475 WeakPolarHBondContact O-CG 3.5Å; G471-E475 PolarHBondContact O-N 3.39Å; S472-E475 WeakPolarHBondContact O-CG 3.49Å; E475-S477 PolarHBondContact O-N 3.36Å; E475-K478 HydrophobicContact CB-CB 4.32Å; E475-K478 HydrophobicContact CB-CD 4.1Å; E475-K478 HydrophobicContact CB-CG 4.08Å; E475-K478 HydrophobicContact CG-CD 4.43Å; E475-K478 WeakPolarHBondContact O-CB 3.27Å; E475-K478 PolarHBondContact O-N 3.11Å; E475-K478 VanDerWaalsContact OE1-CE 3.27Å; E475-K478 WeakPolarHBondContact OE1-CE 3.29Å; E475-K478 IonicContact OE1-NZ 2.64Å; E475-K478 PolarHBondContact OE1-NZ 3.43Å; E475-K478 WeakPolarHBondContact OE2-CD 3.28Å; E475-K478 WeakPolarHBondContact OE2-CE 3.38Å; E475-K478 IonicContact OE2-NZ 3.96Å; E475-K478 PolarHBondContact OE2-NZ 3.27Å
476E86Confident88.3Confident13 Ų1358.5 Ų58.56%0.06130%0.296CS..THydrogen-bonded Turntrans-56.5-26.8-170.1-70.3174.8-156.200113F459 Q460 R469 R474 T479F459-E476 WeakPolarHBondContact CA-OE2 3.39Å; F459-E476 HydrophobicContact CD1-CB 4Å; F459-E476 HydrophobicContact CE1-CB 4.16Å; Q460-E476 PolarHBondContact N-OE2 3.41Å; R469-E476 HydrophobicContact CB-CG 4.39Å; R469-E476 IonicContact CZ-OE2 2.59Å; R469-E476 IonicContact NH1-OE1 3.5Å; R469-E476 IonicContact NH1-OE2 2.63Å; R469-E476 PolarHBondContact NH1-OE2 3.19Å; R469-E476 PolarHBondContact O-N 3.36Å; R469-E476 VanDerWaalsContact O-N 3.07Å; R474-E476 HydrophobicContact CB-CG 4.26Å; R474-E476 IonicContact CZ-OE1 3.9Å; R474-E476 IonicContact NE-OE1 3.18Å; R474-E476 IonicContact NH1-OE1 2.65Å; R474-E476 PolarHBondContact NH1-OE1 3.17Å; R474-E476 PolarHBondContact O-N 3.36Å; E476-T479 PolarHBondContact O-OG1 3.23Å
477S79.3Confident88.3Confident25 Ų2558.8 Ų58.818%0.17530%0.296CS..THydrogen-bonded Turntrans-77.6-18.2177.1710000115.6F470 E475F470-S477 WeakPolarHBondContact CD1-OG 3.27Å; F470-S477 VanDerWaalsContact CE1-CB 3.43Å; E475-S477 PolarHBondContact O-N 3.36Å
478K75.9Confident88.2Confident143 Ų14359.4 Ų59.462%0.62230%0.303SS*.THydrogen-bonded Turntrans-78.6-25.8-177.7-69.5-162.2-165.8167.70112.2E475 G480E475-K478 HydrophobicContact CB-CB 4.32Å; E475-K478 HydrophobicContact CB-CD 4.1Å; E475-K478 HydrophobicContact CB-CG 4.08Å; E475-K478 HydrophobicContact CG-CD 4.43Å; E475-K478 WeakPolarHBondContact O-CB 3.27Å; E475-K478 PolarHBondContact O-N 3.11Å; E475-K478 VanDerWaalsContact OE1-CE 3.27Å; E475-K478 WeakPolarHBondContact OE1-CE 3.29Å; E475-K478 IonicContact OE1-NZ 2.64Å; E475-K478 PolarHBondContact OE1-NZ 3.43Å; E475-K478 WeakPolarHBondContact OE2-CD 3.28Å; E475-K478 WeakPolarHBondContact OE2-CE 3.38Å; E475-K478 IonicContact OE2-NZ 3.96Å; E475-K478 PolarHBondContact OE2-NZ 3.27Å; K478-G480 PolarHBondContact O-N 3.46Å; K478-G480 VanDerWaalsContact O-N 3.13Å
479T71.3Confident88.1Confident84 Ų8457 Ų5752%0.51529%0.291SS..SBendtrans-71.3102.9170.743.10000109.6V458 E476 N483V458-T479 WeakPolarHBondContact CG1-OG1 3.09Å; E476-T479 PolarHBondContact O-OG1 3.23Å; T479-N483 PolarHBondContact O-ND2 2.88Å
480G74.4Confident88Confident42 Ų4258.2 Ų58.243%0.43330%0.304SS..SBendtrans80.4112.5173.900000114.8K478 F482 N483K478-G480 PolarHBondContact O-N 3.46Å; K478-G480 VanDerWaalsContact O-N 3.13Å; G480-F482 PolarHBondContact O-N 2.91Å; G480-N483 PolarHBondContact O-N 3.34Å
481R76.9Confident88Confident234 Ų23460.5 Ų60.588%0.88332%0.316SS*.THydrogen-bonded Turntrans-57.9-16-172.5-66.6-176.5-176.9173.71.6116.5
482F92.3Very high88.1Confident24 Ų2461.3 Ų61.311%0.10531%0.314CS..THydrogen-bonded Turntrans-115.36.3-175.1-76.5-96.8000114.1A99 R103 L106 L107 G480 Y484 V485A99-F482 HydrophobicContact CB-CB 4.08Å; A99-F482 WeakPolarHBondContact CB-O 3.26Å; A99-F482 WeakPolarHBondContact O-CB 3.41Å; R103-F482 HydrophobicContact CB-CB 4.05Å; R103-F482 HydrophobicContact CB-CD1 3.77Å; R103-F482 HydrophobicContact CB-CD2 3.69Å; R103-F482 HydrophobicContact CB-CE1 4.11Å; R103-F482 HydrophobicContact CB-CE2 4.03Å; R103-F482 HydrophobicContact CB-CG 3.55Å; R103-F482 HydrophobicContact CB-CZ 4.23Å; R103-F482 HydrophobicContact CG-CD1 4.36Å; R103-F482 HydrophobicContact CG-CD2 3.58Å; R103-F482 HydrophobicContact CG-CE1 4.33Å; R103-F482 HydrophobicContact CG-CE2 3.55Å; R103-F482 HydrophobicContact CG-CG 4.01Å; R103-F482 HydrophobicContact CG-CZ 3.94Å; L106-F482 HydrophobicContact CB-CE1 4.13Å; L106-F482 HydrophobicContact CD1-CD1 4.26Å; L106-F482 HydrophobicContact CD1-CE1 3.99Å; L107-F482 HydrophobicContact CD1-CE2 4.26Å; L107-F482 HydrophobicContact CD1-CZ 4.18Å; L107-F482 HydrophobicContact CD2-CZ 3.88Å; L107-F482 HydrophobicContact CG-CE2 4.44Å; L107-F482 HydrophobicContact CG-CZ 3.86Å; G480-F482 PolarHBondContact O-N 2.91Å; F482-Y484 VanDerWaalsContact C-N 3.32Å; F482-V485 HydrophobicContact CB-CG1 4.16Å; F482-V485 HydrophobicContact CD1-CG1 3.81Å; F482-V485 HydrophobicContact CG-CG1 4.25Å
483N92.8Very high88.5Confident24 Ų2458.2 Ų58.213%0.12829%0.292CS..SBendtrans-71.8-30.6171.2-72.1-37.7000111.7A99 H453 A456 V458 F459 T479 G480A99-N483 WeakPolarHBondContact CB-OD1 3.38Å; H453-N483 PolarHBondContact CD2-O 3.26Å; H453-N483 VanDerWaalsContact CD2-O 3.29Å; A456-N483 HydrophobicContact CB-CB 4.29Å; V458-N483 WeakPolarHBondContact CG1-ND2 3.35Å; V458-N483 HydrophobicContact CG2-CB 3.63Å; F459-N483 WeakPolarHBondContact CE2-O 3.4Å; T479-N483 PolarHBondContact O-ND2 2.88Å; G480-N483 PolarHBondContact O-N 3.34Å
484Y95.4Very high89Confident41 Ų4151.7 Ų51.716%0.16127%0.267CS..  trans-121105.4175.9-177-108.9000110.5K412 R416 F459 F470 F482 P486K412-Y484 VanDerWaalsContact CA-OH 3.27Å; K412-Y484 WeakPolarHBondContact CA-OH 3.48Å; K412-Y484 HydrophobicContact CG-CE1 4.44Å; K412-Y484 WeakPolarHBondContact O-CE2 3.45Å; K412-Y484 PolarHBondContact O-OH 3.06Å; K412-Y484 VanDerWaalsContact O-OH 3.13Å; R416-Y484 HydrophobicContact CB-CD2 4.21Å; R416-Y484 HydrophobicContact CB-CE2 3.85Å; R416-Y484 HydrophobicContact CG-CD2 4.34Å; R416-Y484 HydrophobicContact CG-CE2 4.47Å; F459-Y484 HydrophobicContact CZ-CD2 4.3Å; F470-Y484 AromaticContact CE1-CD2 3.99Å; F470-Y484 HydrophobicContact CE1-CD2 3.99Å; F470-Y484 HydrophobicContact CE1-CE2 4.01Å; F470-Y484 HydrophobicContact CE1-CG 4.27Å; F470-Y484 AromaticContact CZ-CD2 3.94Å; F470-Y484 HydrophobicContact CZ-CD2 3.94Å; F470-Y484 AromaticContact CZ-CE2 3.79Å; F470-Y484 HydrophobicContact CZ-CE2 3.79Å; F482-Y484 VanDerWaalsContact C-N 3.32Å; Y484-P486 HydrophobicContact CD1-CG 4.29Å; Y484-P486 HydrophobicContact CD2-CG 4.46Å; Y484-P486 HydrophobicContact CE1-CG 3.69Å; Y484-P486 HydrophobicContact CE2-CG 3.86Å; Y484-P486 VanDerWaalsContact CZ-CG 3.46Å
485V95.9Very high89.4Confident5 Ų548.9 Ų48.93%0.0326%0.26CS..  trans-135.944.2-172.7-66.60000113.9I449 H453 F482 F487 G488I449-V485 HydrophobicContact CG1-CG2 4.3Å; I449-V485 HydrophobicContact CG2-CG2 4.32Å; I449-V485 WeakPolarHBondContact CG2-O 3.48Å; H453-V485 PolarHBondContact NE2-N 2.82Å; F482-V485 HydrophobicContact CB-CG1 4.16Å; F482-V485 HydrophobicContact CD1-CG1 3.81Å; F482-V485 HydrophobicContact CG-CG1 4.25Å; V485-F487 PolarHBondContact O-N 2.88Å; V485-F487 VanDerWaalsContact O-N 3.07Å; V485-G488 PolarHBondContact O-N 3.33Å
486P96.3Very high90Very high14 Ų1446.4 Ų46.49%0.09125%0.252CS..THydrogen-bonded Turntrans-61.2-22.718029.6-38.5000113.2L415 Y484L415-P486 HydrophobicContact CB-CB 3.88Å; L415-P486 HydrophobicContact CB-CG 4.2Å; Y484-P486 HydrophobicContact CD1-CG 4.29Å; Y484-P486 HydrophobicContact CD2-CG 4.46Å; Y484-P486 HydrophobicContact CE1-CG 3.69Å; Y484-P486 HydrophobicContact CE2-CG 3.86Å; Y484-P486 VanDerWaalsContact CZ-CG 3.46Å
487F96.7Very high90.5Very high43 Ų4349.6 Ų49.619%0.18927%0.266CS..THydrogen-bonded Turntrans-10315.4178.1-62.6-67.1000113L415 V485 S493 C494 K497 A500 Q501L415-F487 HydrophobicContact CD1-CE2 3.8Å; L415-F487 HydrophobicContact CD1-CZ 3.6Å; V485-F487 PolarHBondContact O-N 2.88Å; V485-F487 VanDerWaalsContact O-N 3.07Å; F487-S493 WeakPolarHBondContact O-CA 3.47Å; F487-C494 HydrophobicContact CB-CB 3.77Å; F487-C494 HydrophobicContact CD1-CB 3.78Å; F487-C494 HydrophobicContact CG-CB 4.19Å; F487-C494 PolarHBondContact O-N 3.46Å; F487-K497 HydrophobicContact CB-CB 4.29Å; F487-K497 HydrophobicContact CD1-CB 3.74Å; F487-K497 HydrophobicContact CD2-CB 3.98Å; F487-K497 HydrophobicContact CE1-CB 4Å; F487-K497 HydrophobicContact CE2-CB 4.23Å; F487-K497 HydrophobicContact CG-CB 3.73Å; F487-K497 HydrophobicContact CZ-CB 4.24Å; F487-A500 HydrophobicContact CE1-CB 4.23Å; F487-Q501 HydrophobicContact CE2-CG 4.16Å; F487-Q501 HydrophobicContact CZ-CG 3.98Å
488G95.3Very high91.3Very high16 Ų1652.4 Ų52.417%0.16528%0.276CS..  trans66.6-146.5-173.100000112.2V485V485-G488 PolarHBondContact O-N 3.33Å
489G94.2Very high92.3Very high7 Ų745.9 Ų45.97%0.07225%0.248CC..  trans-171.5174.8-171.100000113.1S493G489-S493 PolarHBondContact O-N 3.36Å
490G93.9Very high93.6Very high26 Ų2642.7 Ų42.727%0.26823%0.23SC..G310 helixtrans61.2-151.2-176.300000112.9R492 S493G490-R492 PolarHBondContact O-N 3.29Å; G490-S493 WeakPolarHBondContact O-CB 3.37Å; G490-S493 PolarHBondContact O-N 3Å; G490-S493 PolarHBondContact O-OG 3.14Å; G490-S493 VanDerWaalsContact O-OG 3.12Å
491I94.1Very high94.7Very high61 Ų6142.2 Ų42.231%0.31322%0.216SC..G310 helixtrans-69.9-13.1-177.262.2172.1000113.4E109 H110 H138 R142E109-I491 HydrophobicContact CB-CD1 3.85Å; E109-I491 HydrophobicContact CB-CG1 3.75Å; E109-I491 HydrophobicContact CG-CD1 3.69Å; E109-I491 HydrophobicContact CG-CG1 3.81Å; H110-I491 WeakPolarHBondContact CD2-CD1 3.3Å; H110-I491 VanDerWaalsContact NE2-CD1 3.34Å; H110-I491 WeakPolarHBondContact NE2-CD1 3.4Å; H138-I491 PolarHBondContact CE1-O 2.95Å; H138-I491 VanDerWaalsContact CE1-O 3.27Å; R142-I491 VanDerWaalsContact CD-O 3.22Å; R142-I491 WeakPolarHBondContact CD-O 3.33Å; R142-I491 PolarHBondContact NE-O 3.18Å; R142-I491 VanDerWaalsContact NE-O 3.13Å; R142-I491 PolarHBondContact NH1-O 3.5Å
492R95.1Very high95.7Very high37 Ų3731.3 Ų31.314%0.1418%0.176CC..G310 helixtrans-102.710.1177.8-69-79.5-169.5-177.76.6112.8E109 T115 L130 S133 H138 G490E109-R492 HydrophobicContact CB-CG 4.48Å; E109-R492 HydrophobicContact CG-CG 3.66Å; E109-R492 IonicContact OE1-CZ 2.78Å; E109-R492 IonicContact OE1-NE 3.11Å; E109-R492 PolarHBondContact OE1-NE 3.27Å; E109-R492 IonicContact OE1-NH2 3.05Å; E109-R492 PolarHBondContact OE1-NH2 3.3Å; T115-R492 PolarHBondContact OG1-NE 3.5Å; T115-R492 VanDerWaalsContact OG1-NE 3.11Å; L130-R492 PolarHBondContact O-NH1 3.13Å; S133-R492 VanDerWaalsContact O-CZ 3.28Å; S133-R492 PolarHBondContact O-NH1 3.28Å; S133-R492 VanDerWaalsContact O-NH1 3.1Å; S133-R492 PolarHBondContact O-NH2 3.2Å; H138-R492 VanDerWaalsContact CD2-CZ 3.46Å; H138-R492 PolarHBondContact CD2-NH1 3.35Å; H138-R492 WeakPolarHBondContact NE2-CD 3.24Å; H138-R492 PolarHBondContact NE2-NH1 3.47Å; G490-R492 PolarHBondContact O-N 3.29Å
493S95.6Very high96Very high32 Ų3230.3 Ų30.322%0.22417%0.171CC..SBendtrans-54.7147.2174.158.50000110.8R142 F487 G489 G490 V495R142-S493 PolarHBondContact NH1-O 3.44Å; R142-S493 PolarHBondContact NH2-O 2.82Å; R142-S493 PolarHBondContact NH2-OG 3.15Å; F487-S493 WeakPolarHBondContact O-CA 3.47Å; G489-S493 PolarHBondContact O-N 3.36Å; G490-S493 WeakPolarHBondContact O-CB 3.37Å; G490-S493 PolarHBondContact O-N 3Å; G490-S493 PolarHBondContact O-OG 3.14Å; G490-S493 VanDerWaalsContact O-OG 3.12Å; S493-V495 PolarHBondContact O-N 2.7Å
494C96.9Very high96.3Very high53 Ų5329.3 Ų29.336%0.35817%0.166SC..  trans-55.1124.8-177.3-175.20000110.9F487 K497F487-C494 HydrophobicContact CB-CB 3.77Å; F487-C494 HydrophobicContact CD1-CB 3.78Å; F487-C494 HydrophobicContact CG-CB 4.19Å; F487-C494 PolarHBondContact O-N 3.46Å; C494-K497 HydrophobicContact CB-CB 4.24Å
495V95.8Very high96.4Very high37 Ų3728.1 Ų28.122%0.22416%0.162CC..THydrogen-bonded Turntrans-74.6-31.517970.10000111.6A146 F149 S493A146-V495 HydrophobicContact CB-CG2 4.42Å; F149-V495 WeakPolarHBondContact CB-O 3.3Å; F149-V495 HydrophobicContact CD2-CB 4.39Å; F149-V495 HydrophobicContact CD2-CG1 4.09Å; F149-V495 HydrophobicContact CD2-CG2 3.78Å; F149-V495 HydrophobicContact CE2-CB 4.47Å; F149-V495 HydrophobicContact CE2-CG1 3.7Å; F149-V495 HydrophobicContact CE2-CG2 4.16Å; F149-V495 HydrophobicContact CZ-CG1 4.44Å; S493-V495 PolarHBondContact O-N 2.7Å
496G96Very high96.5Very high13 Ų1327.9 Ų27.913%0.13416%0.16CC..THydrogen-bonded Turntrans-94.922179.800000114.6E498 L499 A500G496-E498 VanDerWaalsContact C-N 3.33Å; G496-E498 PolarHBondContact O-N 3.46Å; G496-L499 PolarHBondContact O-N 2.85Å; G496-A500 PolarHBondContact O-N 3.37Å
497K96.6Very high96.6Very high81 Ų8127.3 Ų27.335%0.35216%0.156SC..Hα-helixtrans-57.9-43.7-175.670.4-172.5177.288.70112.8F487 C494 A500 Q501F487-K497 HydrophobicContact CB-CB 4.29Å; F487-K497 HydrophobicContact CD1-CB 3.74Å; F487-K497 HydrophobicContact CD2-CB 3.98Å; F487-K497 HydrophobicContact CE1-CB 4Å; F487-K497 HydrophobicContact CE2-CB 4.23Å; F487-K497 HydrophobicContact CG-CB 3.73Å; F487-K497 HydrophobicContact CZ-CB 4.24Å; C494-K497 HydrophobicContact CB-CB 4.24Å; K497-A500 PolarHBondContact O-N 3.42Å; K497-Q501 WeakPolarHBondContact O-CG 3.04Å; K497-Q501 PolarHBondContact O-N 3.02Å
498E96.6Very high96.7Very high84 Ų8425.3 Ų25.339%0.39315%0.148SC..Hα-helixtrans-66.9-40-178.3-58.1-56.5147.800111.2L154 G496 Q501 M502L154-E498 HydrophobicContact CD1-CB 3.42Å; L154-E498 VanDerWaalsContact CD1-CB 3.42Å; L154-E498 HydrophobicContact CD1-CG 4.43Å; G496-E498 VanDerWaalsContact C-N 3.33Å; G496-E498 PolarHBondContact O-N 3.46Å; E498-Q501 PolarHBondContact O-N 3.16Å; E498-M502 WeakPolarHBondContact O-CB 3.39Å; E498-M502 PolarHBondContact O-N 3.46Å
499L96.8Very high96.8Very high6 Ų624.5 Ų24.53%0.03114%0.14CC..Hα-helixtrans-62.7-45.7173.6175.566.1000111.6F149 L154 L161 L197 G496 Q501 M502 I503F149-L499 HydrophobicContact CD1-CB 4.03Å; F149-L499 HydrophobicContact CD1-CD2 4.08Å; F149-L499 HydrophobicContact CE1-CB 4.42Å; F149-L499 HydrophobicContact CE1-CD2 3.71Å; L154-L499 HydrophobicContact CD2-CB 3.87Å; L154-L499 HydrophobicContact CD2-CD1 4.13Å; L161-L499 HydrophobicContact CD1-CD1 4.24Å; L197-L499 HydrophobicContact CD1-CD2 4.03Å; L197-L499 HydrophobicContact CD2-CD2 3.65Å; L197-L499 HydrophobicContact CG-CD2 4.28Å; G496-L499 PolarHBondContact O-N 2.85Å; L499-Q501 VanDerWaalsContact C-N 3.32Å; L499-Q501 PolarHBondContact O-N 3.31Å; L499-M502 HydrophobicContact CD1-CE 3.48Å; L499-M502 VanDerWaalsContact CD1-CE 3.48Å; L499-M502 WeakPolarHBondContact O-CB 3.34Å; L499-M502 PolarHBondContact O-N 2.93Å; L499-I503 HydrophobicContact CD1-CD1 4.18Å; L499-I503 HydrophobicContact CD1-CG1 4.33Å; L499-I503 HydrophobicContact CG-CD1 3.99Å; L499-I503 WeakPolarHBondContact O-CG1 3.2Å; L499-I503 PolarHBondContact O-N 3.27Å
500A97.9Very high96.8Very high16 Ų1624.2 Ų24.213%0.13214%0.136CC..Hα-helixtrans-61.3-43.1178.900000111.3F487 G496 K497 I503 L504F487-A500 HydrophobicContact CE1-CB 4.23Å; G496-A500 PolarHBondContact O-N 3.37Å; K497-A500 PolarHBondContact O-N 3.42Å; A500-I503 PolarHBondContact O-N 3.44Å; A500-L504 VanDerWaalsContact O-CG 3.28Å; A500-L504 WeakPolarHBondContact O-CG 3.49Å; A500-L504 PolarHBondContact O-N 3.27Å
501Q97.9Very high96.9Very high32 Ų3223 Ų2315%0.1512%0.124CC..Hα-helixtrans-63.5-43.9174.9-69.9176.5-8200111.5F487 K497 E498 L499 I503 L504 K505F487-Q501 HydrophobicContact CE2-CG 4.16Å; F487-Q501 HydrophobicContact CZ-CG 3.98Å; K497-Q501 WeakPolarHBondContact O-CG 3.04Å; K497-Q501 PolarHBondContact O-N 3.02Å; E498-Q501 PolarHBondContact O-N 3.16Å; L499-Q501 VanDerWaalsContact C-N 3.32Å; L499-Q501 PolarHBondContact O-N 3.31Å; Q501-I503 PolarHBondContact O-N 3.47Å; Q501-L504 PolarHBondContact O-N 2.77Å; Q501-K505 VanDerWaalsContact O-CG 3.32Å; Q501-K505 WeakPolarHBondContact O-CG 3.34Å; Q501-K505 PolarHBondContact O-N 2.78Å
502M97.7Very high96.9Very high6 Ų620.3 Ų20.33%0.0311%0.11CC..Hα-helixtrans-57-47.7175.1-176.517570.300111.6L154 L158 L161 M398 L401 E498 L499 L504 K505 T506L154-M502 HydrophobicContact CB-CE 4.38Å; L154-M502 HydrophobicContact CB-SD 4.26Å; L154-M502 HydrophobicContact CD2-CE 4.16Å; L158-M502 HydrophobicContact CB-SD 3.93Å; L158-M502 HydrophobicContact CD1-CG 3.95Å; L158-M502 HydrophobicContact CD1-SD 3.96Å; L158-M502 HydrophobicContact CG-SD 4.43Å; L161-M502 HydrophobicContact CD1-CE 3.38Å; L161-M502 HydrophobicContact CD1-CG 4.26Å; L161-M502 HydrophobicContact CD1-SD 4.45Å; M398-M502 HydrophobicContact SD-CG 4.48Å; M398-M502 HydrophobicContact SD-SD 3.72Å; L401-M502 HydrophobicContact CD1-CG 3.93Å; E498-M502 WeakPolarHBondContact O-CB 3.39Å; E498-M502 PolarHBondContact O-N 3.46Å; L499-M502 HydrophobicContact CD1-CE 3.48Å; L499-M502 VanDerWaalsContact CD1-CE 3.48Å; L499-M502 WeakPolarHBondContact O-CB 3.34Å; L499-M502 PolarHBondContact O-N 2.93Å; M502-L504 VanDerWaalsContact C-N 3.34Å; M502-L504 PolarHBondContact O-N 3.47Å; M502-K505 PolarHBondContact O-N 2.9Å; M502-T506 WeakPolarHBondContact O-CB 3.22Å; M502-T506 PolarHBondContact O-N 3.05Å; M502-T506 PolarHBondContact O-OG1 3.08Å; M502-T506 VanDerWaalsContact O-OG1 3.05Å
503I98.3Very high96.8Very high3 Ų319.3 Ų19.32%0.01511%0.111CC..Hα-helixtrans-58.2-46.1176.7-66.3165.6000111.1L161 I192 T301 L499 A500 Q501 L507L161-I503 HydrophobicContact CD1-CG1 3.55Å; L161-I503 HydrophobicContact CG-CG1 4.28Å; I192-I503 HydrophobicContact CD1-CD1 4.4Å; I192-I503 HydrophobicContact CD1-CG1 4.31Å; I192-I503 HydrophobicContact CD1-CG2 4.11Å; I192-I503 HydrophobicContact CG2-CD1 3.99Å; I192-I503 HydrophobicContact CG2-CG1 4.49Å; T301-I503 HydrophobicContact CG2-CB 4.09Å; T301-I503 HydrophobicContact CG2-CD1 3.92Å; T301-I503 HydrophobicContact CG2-CG2 3.68Å; L499-I503 HydrophobicContact CD1-CD1 4.18Å; L499-I503 HydrophobicContact CD1-CG1 4.33Å; L499-I503 HydrophobicContact CG-CD1 3.99Å; L499-I503 WeakPolarHBondContact O-CG1 3.2Å; L499-I503 PolarHBondContact O-N 3.27Å; A500-I503 PolarHBondContact O-N 3.44Å; Q501-I503 PolarHBondContact O-N 3.47Å; I503-L507 VanDerWaalsContact O-CB 3.29Å; I503-L507 WeakPolarHBondContact O-CB 3.35Å; I503-L507 PolarHBondContact O-N 2.85Å
504L98.7Very high96.5Very high2 Ų218.2 Ų18.21%0.0110%0.103CC..Hα-helixtrans-66.2-41.7-179.1-67.7169.9000112.3A304 L308 V411 L415 A500 Q501 M502 L507 A508A304-L504 HydrophobicContact CB-CD1 3.83Å; A304-L504 HydrophobicContact CB-CD2 3.68Å; A304-L504 HydrophobicContact CB-CG 4.31Å; L308-L504 HydrophobicContact CD2-CD2 4.41Å; L308-L504 WeakPolarHBondContact CD2-O 3.48Å; V411-L504 HydrophobicContact CG1-CB 4Å; V411-L504 HydrophobicContact CG1-CD1 3.85Å; V411-L504 HydrophobicContact CG2-CB 3.94Å; L415-L504 HydrophobicContact CD1-CD1 4.32Å; L415-L504 HydrophobicContact CD2-CD1 4.19Å; L415-L504 HydrophobicContact CG-CD1 4.39Å; A500-L504 VanDerWaalsContact O-CG 3.28Å; A500-L504 WeakPolarHBondContact O-CG 3.49Å; A500-L504 PolarHBondContact O-N 3.27Å; Q501-L504 PolarHBondContact O-N 2.77Å; M502-L504 VanDerWaalsContact C-N 3.34Å; M502-L504 PolarHBondContact O-N 3.47Å; L504-L507 PolarHBondContact O-N 3.4Å; L504-A508 WeakPolarHBondContact O-CB 3.45Å; L504-A508 PolarHBondContact O-N 3.14Å
505K98.4Very high96.2Very high17 Ų1715.9 Ų15.97%0.0749%0.087CC..Hα-helixtrans-67-45.9177.5-65.2-171.583.8171.70111.1L401 L404 I407 V411 Q501 M502 L507 A508 V509L401-K505 HydrophobicContact CD2-CB 4.09Å; L401-K505 WeakPolarHBondContact O-CE 3.44Å; L401-K505 PolarHBondContact O-NZ 3.24Å; L404-K505 PolarHBondContact O-NZ 2.85Å; I407-K505 HydrophobicContact CG2-CB 4.16Å; I407-K505 HydrophobicContact CG2-CG 4.03Å; V411-K505 HydrophobicContact CG2-CG 4.02Å; Q501-K505 VanDerWaalsContact O-CG 3.32Å; Q501-K505 WeakPolarHBondContact O-CG 3.34Å; Q501-K505 PolarHBondContact O-N 2.78Å; M502-K505 PolarHBondContact O-N 2.9Å; K505-L507 VanDerWaalsContact C-N 3.33Å; K505-L507 PolarHBondContact O-N 3.1Å; K505-A508 PolarHBondContact O-N 2.89Å; K505-V509 VanDerWaalsContact O-CG2 3.28Å; K505-V509 WeakPolarHBondContact O-CG2 3.5Å; K505-V509 PolarHBondContact O-N 2.75Å
506T98.2Very high96Very high0 Ų018.1 Ų18.10%09%0.094CC..Hα-helixtrans-60-43.9175.8-59.90000111.4L161 Q162 V165 L396 M502 A508 V509 E510L161-T506 HydrophobicContact CD2-CG2 3.63Å; Q162-T506 HydrophobicContact CB-CG2 4.12Å; Q162-T506 HydrophobicContact CG-CG2 4.12Å; V165-T506 HydrophobicContact CB-CG2 4.29Å; V165-T506 HydrophobicContact CG1-CG2 4.36Å; V165-T506 HydrophobicContact CG2-CG2 4.22Å; L396-T506 HydrophobicContact CD1-CG2 3.93Å; M502-T506 WeakPolarHBondContact O-CB 3.22Å; M502-T506 PolarHBondContact O-N 3.05Å; M502-T506 PolarHBondContact O-OG1 3.08Å; M502-T506 VanDerWaalsContact O-OG1 3.05Å; T506-A508 PolarHBondContact O-N 2.93Å; T506-V509 PolarHBondContact O-N 2.72Å; T506-E510 HydrophobicContact CG2-CG 4.42Å; T506-E510 WeakPolarHBondContact O-CG 3.49Å; T506-E510 PolarHBondContact O-N 2.99Å
507L98.3Very high96Very high1 Ų119 Ų191%0.0059%0.093CC..Hα-helixtrans-62.1-42.9175.6-179.264.2000112V165 I169 W172 L188 L308 I503 L504 K505 V511V165-L507 HydrophobicContact CG1-CD1 4.1Å; I169-L507 HydrophobicContact CD1-CD1 4.28Å; W172-L507 HydrophobicContact CH2-CD1 4.13Å; W172-L507 HydrophobicContact CZ3-CD1 4.25Å; L188-L507 HydrophobicContact CD2-CD1 4.39Å; L308-L507 HydrophobicContact CD2-CD2 4.34Å; L308-L507 HydrophobicContact CD2-CG 4.45Å; I503-L507 VanDerWaalsContact O-CB 3.29Å; I503-L507 WeakPolarHBondContact O-CB 3.35Å; I503-L507 PolarHBondContact O-N 2.85Å; L504-L507 PolarHBondContact O-N 3.4Å; K505-L507 VanDerWaalsContact C-N 3.33Å; K505-L507 PolarHBondContact O-N 3.1Å; L507-V511 HydrophobicContact CD1-CG2 3.81Å; L507-V511 HydrophobicContact CG-CG2 4.32Å; L507-V511 WeakPolarHBondContact O-CB 3.14Å; L507-V511 VanDerWaalsContact O-CG2 3.31Å; L507-V511 WeakPolarHBondContact O-CG2 3.47Å; L507-V511 PolarHBondContact O-N 3.17Å
508A98.1Very high96Very high1 Ų119 Ų191%0.00810%0.101CC..Hα-helixtrans-60.6-48.2177.100000111.5L308 I407 L504 K505 T506 I512L308-A508 HydrophobicContact CD2-CB 3.98Å; I407-A508 HydrophobicContact CD1-CB 4.1Å; I407-A508 HydrophobicContact CG2-CB 4.04Å; L504-A508 WeakPolarHBondContact O-CB 3.45Å; L504-A508 PolarHBondContact O-N 3.14Å; K505-A508 PolarHBondContact O-N 2.89Å; T506-A508 PolarHBondContact O-N 2.93Å; A508-I512 HydrophobicContact CB-CD1 4.36Å; A508-I512 WeakPolarHBondContact O-CB 3.4Å; A508-I512 WeakPolarHBondContact O-CD1 3.45Å; A508-I512 WeakPolarHBondContact O-CG1 3.34Å; A508-I512 PolarHBondContact O-N 3.44Å
509V97.1Very high96Very high0 Ų017 Ų170%09%0.092CC..Hα-helixtrans-57.3-52.3178.4171.50000110.7L326 L331 I393 L396 L404 K505 T506 G513L326-V509 HydrophobicContact CD2-CB 4.42Å; L326-V509 HydrophobicContact CD2-CG1 4.26Å; L326-V509 HydrophobicContact CD2-CG2 3.89Å; L331-V509 HydrophobicContact CD1-CG1 4.25Å; I393-V509 HydrophobicContact CD1-CG1 4.45Å; I393-V509 HydrophobicContact CG2-CG1 3.83Å; L396-V509 HydrophobicContact CD1-CG1 4.38Å; L396-V509 HydrophobicContact CD2-CG1 4.3Å; L404-V509 HydrophobicContact CD1-CG2 3.39Å; K505-V509 VanDerWaalsContact O-CG2 3.28Å; K505-V509 WeakPolarHBondContact O-CG2 3.5Å; K505-V509 PolarHBondContact O-N 2.75Å; T506-V509 PolarHBondContact O-N 2.72Å; V509-G513 PolarHBondContact O-N 2.76Å
510E95.4Very high96Very high1 Ų118.4 Ų18.41%0.00511%0.105CC..Hα-helixtrans-68.5-41-175.4-66-70.6166.700111.8Q162 V165 K166 I169 S391 T506 T514Q162-E510 WeakPolarHBondContact CG-OE1 3.36Å; Q162-E510 PolarHBondContact NE2-OE1 3.01Å; V165-E510 HydrophobicContact CG1-CB 4.03Å; V165-E510 HydrophobicContact CG1-CG 3.96Å; K166-E510 WeakPolarHBondContact CE-OE1 3.44Å; K166-E510 HydrophobicContact CG-CG 4.35Å; K166-E510 WeakPolarHBondContact CG-OE2 3.32Å; I169-E510 HydrophobicContact CD1-CB 3.28Å; I169-E510 HydrophobicContact CD1-CG 4.4Å; S391-E510 PolarHBondContact OG-OE2 3.38Å; T506-E510 HydrophobicContact CG2-CG 4.42Å; T506-E510 WeakPolarHBondContact O-CG 3.49Å; T506-E510 PolarHBondContact O-N 2.99Å; E510-T514 WeakPolarHBondContact O-CB 3.27Å; E510-T514 WeakPolarHBondContact O-CG2 3.48Å; E510-T514 PolarHBondContact O-N 3.09Å; E510-T514 VanDerWaalsContact O-N 3.16Å; E510-T514 PolarHBondContact O-OG1 3.5Å
511V95.1Very high95.9Very high0 Ų020.5 Ų20.50%012%0.116CC..Hα-helixtrans-66.4-51.3178.2169.40000110.8I169 W172 I309 L507 G513 T514 C515 W517I169-V511 HydrophobicContact CD1-CG2 3.75Å; I169-V511 HydrophobicContact CG1-CG2 4.17Å; W172-V511 HydrophobicContact CZ3-CG2 4.41Å; I309-V511 HydrophobicContact CD1-CB 4.34Å; I309-V511 HydrophobicContact CD1-CG1 3.98Å; I309-V511 HydrophobicContact CD1-CG2 3.95Å; L507-V511 HydrophobicContact CD1-CG2 3.81Å; L507-V511 HydrophobicContact CG-CG2 4.32Å; L507-V511 WeakPolarHBondContact O-CB 3.14Å; L507-V511 VanDerWaalsContact O-CG2 3.31Å; L507-V511 WeakPolarHBondContact O-CG2 3.47Å; L507-V511 PolarHBondContact O-N 3.17Å; V511-G513 VanDerWaalsContact C-N 3.34Å; V511-G513 PolarHBondContact O-N 3.11Å; V511-T514 PolarHBondContact O-N 3.49Å; V511-C515 VanDerWaalsContact O-CB 3.32Å; V511-C515 WeakPolarHBondContact O-CB 3.36Å; V511-C515 PolarHBondContact O-N 3.26Å; V511-W517 HydrophobicContact CG1-CD2 3.96Å; V511-W517 HydrophobicContact CG1-CE3 3.63Å; V511-W517 HydrophobicContact CG1-CH2 3.9Å; V511-W517 HydrophobicContact CG1-CZ2 4.18Å; V511-W517 HydrophobicContact CG1-CZ3 3.6Å; V511-W517 VanDerWaalsContact O-CZ3 3.22Å; V511-W517 WeakPolarHBondContact O-CZ3 3.47Å
512I95.3Very high95.6Very high5 Ų527.2 Ų27.23%0.02615%0.153CC..Hα-helixtrans-65.8-38.3-176.3-64.7169.5000111.5L312 V319 A322 Q323 L326 I407 A508 W517L312-I512 HydrophobicContact CD1-CD1 4.01Å; L312-I512 HydrophobicContact CD1-CG1 4.09Å; L312-I512 HydrophobicContact CD2-CD1 4.14Å; V319-I512 HydrophobicContact CG1-CG2 4.21Å; A322-I512 HydrophobicContact CB-CD1 3.82Å; Q323-I512 HydrophobicContact CB-CG2 4.44Å; Q323-I512 HydrophobicContact CG-CG2 3.35Å; L326-I512 HydrophobicContact CD1-CB 3.97Å; L326-I512 HydrophobicContact CD1-CG2 3.76Å; I407-I512 HydrophobicContact CD1-CD1 3.83Å; A508-I512 HydrophobicContact CB-CD1 4.36Å; A508-I512 WeakPolarHBondContact O-CB 3.4Å; A508-I512 WeakPolarHBondContact O-CD1 3.45Å; A508-I512 WeakPolarHBondContact O-CG1 3.34Å; A508-I512 PolarHBondContact O-N 3.44Å; I512-W517 HydrophobicContact CB-CH2 4.4Å; I512-W517 HydrophobicContact CG1-CH2 3.96Å
513G91.4Very high95.5Very high16 Ų1632 Ų3217%0.16518%0.183CC..Hα-helixtrans-84.8-11-175.800000115.4V509 V511V509-G513 PolarHBondContact O-N 2.76Å; V511-G513 VanDerWaalsContact C-N 3.34Å; V511-G513 PolarHBondContact O-N 3.11Å
514T89.6Confident95.4Very high8 Ų835.3 Ų35.35%0.04920%0.197CC..Hα-helixtrans-129.5-22.2-174.771.30000115.2I393 E510 V511 D546I393-T514 HydrophobicContact CD1-CG2 4.44Å; I393-T514 HydrophobicContact CG1-CG2 3.77Å; E510-T514 WeakPolarHBondContact O-CB 3.27Å; E510-T514 WeakPolarHBondContact O-CG2 3.48Å; E510-T514 PolarHBondContact O-N 3.09Å; E510-T514 VanDerWaalsContact O-N 3.16Å; E510-T514 PolarHBondContact O-OG1 3.5Å; V511-T514 PolarHBondContact O-N 3.49Å; T514-D546 PolarHBondContact O-N 3.4Å; T514-D546 VanDerWaalsContact O-N 3.11Å
515C90.4Very high95.2Very high4 Ų436.2 Ų36.23%0.02720%0.203CC..EExtended strand (participates in β ladder)trans-113.9151-169.1-60.80000112.3I169 V511 W517 N544I169-C515 WeakPolarHBondContact CG2-SG 3.46Å; V511-C515 VanDerWaalsContact O-CB 3.32Å; V511-C515 WeakPolarHBondContact O-CB 3.36Å; V511-C515 PolarHBondContact O-N 3.26Å; C515-W517 HydrophobicContact CB-CE3 3.83Å; C515-W517 HydrophobicContact CB-CZ3 4.31Å; C515-W517 VanDerWaalsContact O-CE3 3.26Å; C515-W517 WeakPolarHBondContact O-CZ3 3.42Å; C515-N544 CarbonylContact C-O 3.56Å; C515-N544 WeakPolarHBondContact CA-O 3.47Å
516K91.5Very high94.9Very high84 Ų8443.5 Ų43.537%0.36524%0.235SC..EExtended strand (participates in β ladder)trans-104.8134.9151.1-78.6175.8164.7151.90108.2N544 D546K516-N544 PolarHBondContact N-O 2.99Å; K516-N544 PolarHBondContact O-N 3.29Å; K516-D546 HydrophobicContact CD-CB 4.33Å; K516-D546 WeakPolarHBondContact CE-OD1 3.24Å; K516-D546 VanDerWaalsContact CE-OD2 3.23Å; K516-D546 WeakPolarHBondContact CE-OD2 3.43Å; K516-D546 HydrophobicContact CG-CB 4.09Å; K516-D546 IonicContact NZ-OD1 2.69Å; K516-D546 PolarHBondContact NZ-OD1 3.48Å; K516-D546 IonicContact NZ-OD2 3.56Å
517W95.8Very high94.6Very high31 Ų3145 Ų4512%0.11724%0.242CC..EExtended strand (participates in β ladder)trans-138.3142.7-179.264.296000111.9L312 L313 V319 V511 I512 C515 V541 H542 F543L312-W517 HydrophobicContact CB-CZ2 4.13Å; L313-W517 HydrophobicContact CD2-CG 4.41Å; L313-W517 VanDerWaalsContact CG-CD1 3.46Å; V319-W517 HydrophobicContact CG1-CH2 3.87Å; V319-W517 HydrophobicContact CG1-CZ2 4.16Å; V319-W517 HydrophobicContact CG2-CZ2 4.03Å; V511-W517 HydrophobicContact CG1-CD2 3.96Å; V511-W517 HydrophobicContact CG1-CE3 3.63Å; V511-W517 HydrophobicContact CG1-CH2 3.9Å; V511-W517 HydrophobicContact CG1-CZ2 4.18Å; V511-W517 HydrophobicContact CG1-CZ3 3.6Å; V511-W517 VanDerWaalsContact O-CZ3 3.22Å; V511-W517 WeakPolarHBondContact O-CZ3 3.47Å; I512-W517 HydrophobicContact CB-CH2 4.4Å; I512-W517 HydrophobicContact CG1-CH2 3.96Å; C515-W517 HydrophobicContact CB-CE3 3.83Å; C515-W517 HydrophobicContact CB-CZ3 4.31Å; C515-W517 VanDerWaalsContact O-CE3 3.26Å; C515-W517 WeakPolarHBondContact O-CZ3 3.42Å; W517-V541 HydrophobicContact CB-CG1 3.81Å; W517-V541 HydrophobicContact CG-CG1 4.49Å; W517-H542 CarbonylContact C-O 3.58Å; W517-H542 WeakPolarHBondContact CA-O 3.28Å; W517-F543 HydrophobicContact CB-CD1 3.6Å; W517-F543 HydrophobicContact CB-CE1 3.69Å; W517-F543 HydrophobicContact CB-CG 4.32Å; W517-F543 HydrophobicContact CB-CZ 4.48Å; W517-F543 HydrophobicContact CG-CD1 4.46Å; W517-F543 HydrophobicContact CG-CE1 4.17Å
518T97.1Very high94.2Very high83 Ų8348.8 Ų48.851%0.50926%0.26SS..EExtended strand (participates in β ladder)trans-138.4144.8-177.7540000110.6A520 V541 H542T518-A520 PolarHBondContact O-N 2.98Å; T518-V541 WeakPolarHBondContact O-CA 3.45Å; T518-V541 WeakPolarHBondContact O-CG1 3.27Å; T518-H542 PolarHBondContact N-O 2.86Å; T518-H542 PolarHBondContact O-N 3.28Å
519L97.7Very high93.6Very high40 Ų4049.5 Ų49.521%0.20926%0.264CS..EExtended strand (participates in β ladder)trans-65.7129.1176.8-173.669000109.3T521 F524 L539L519-T521 VanDerWaalsContact C-N 3.3Å; L519-T521 WeakPolarHBondContact CD2-O 3.06Å; L519-T521 WeakPolarHBondContact CG-O 3.42Å; L519-F524 HydrophobicContact CD1-CD1 4.08Å; L519-F524 HydrophobicContact CD1-CE1 4.19Å; L519-F524 HydrophobicContact CD2-CD1 3.75Å; L519-F524 HydrophobicContact CD2-CD2 4.17Å; L519-F524 HydrophobicContact CD2-CE1 3.83Å; L519-F524 HydrophobicContact CD2-CE2 4.22Å; L519-F524 HydrophobicContact CD2-CG 3.94Å; L519-F524 HydrophobicContact CD2-CZ 4.06Å; L519-F524 HydrophobicContact CG-CE1 4.44Å; L519-L539 HydrophobicContact CD1-CD1 3.8Å
520A97.1Very high92.8Very high37 Ų3751.7 Ų51.731%0.30628%0.277SS..SBendtrans-82.2-10.7-178.800000113.5P178 T518 H540P178-A520 HydrophobicContact CB-CB 3.49Å; P178-A520 VanDerWaalsContact CB-CB 3.49Å; P178-A520 HydrophobicContact CG-CB 4.31Å; T518-A520 PolarHBondContact O-N 2.98Å; A520-H540 HydrophobicContact CB-CB 4.03Å; A520-H540 WeakPolarHBondContact CB-O 3.39Å; A520-H540 PolarHBondContact N-O 3.47Å
521T94.4Very high92Very high59 Ų5955.2 Ų55.236%0.36230%0.3SS..SBendtrans-112.3154.7-178.955.10000110.9L519 T523 H540L519-T521 VanDerWaalsContact C-N 3.3Å; L519-T521 WeakPolarHBondContact CD2-O 3.06Å; L519-T521 WeakPolarHBondContact CG-O 3.42Å; T521-T523 PolarHBondContact O-N 3.07Å; T521-T523 PolarHBondContact OG1-O 2.96Å; T521-H540 HydrophobicContact CG2-CB 4.38Å
522D92.8Very high91.8Very high174 Ų17456.8 Ų56.893%0.9331%0.308SS*.SBendtrans-63.6-25.1179.2-58.2-34.4000113.3
523T95Very high91.7Very high106 Ų10656.6 Ų56.665%0.6531%0.307SS*.SBendtrans-136.4151.1-177.161.80000111.1T521T521-T523 PolarHBondContact O-N 3.07Å; T521-T523 PolarHBondContact OG1-O 2.96Å
524F95.3Very high91.8Very high72 Ų7257.5 Ų57.532%0.31631%0.307SS..PPolyproline II helixtrans-69.9144.3174.9-71.6-80.1000111.4L310 L313 R314 L519L310-F524 HydrophobicContact CD1-CB 4.45Å; L310-F524 HydrophobicContact CD1-CD1 3.43Å; L310-F524 VanDerWaalsContact CD1-CD1 3.43Å; L310-F524 HydrophobicContact CD1-CE1 4.03Å; L310-F524 HydrophobicContact CD1-CG 4.27Å; L313-F524 HydrophobicContact CB-CE1 3.79Å; L313-F524 HydrophobicContact CB-CZ 4.18Å; L313-F524 HydrophobicContact CD1-CE1 4.46Å; R314-F524 HydrophobicContact CB-CZ 4.36Å; R314-F524 HydrophobicContact CG-CD1 3.97Å; R314-F524 HydrophobicContact CG-CD2 4.01Å; R314-F524 HydrophobicContact CG-CE1 3.59Å; R314-F524 HydrophobicContact CG-CE2 3.65Å; R314-F524 HydrophobicContact CG-CG 4.15Å; R314-F524 HydrophobicContact CG-CZ 3.42Å; R314-F524 VanDerWaalsContact CG-CZ 3.42Å; R314-F524 VanDerWaalsContact NH2-CB 3.27Å; L519-F524 HydrophobicContact CD1-CD1 4.08Å; L519-F524 HydrophobicContact CD1-CE1 4.19Å; L519-F524 HydrophobicContact CD2-CD1 3.75Å; L519-F524 HydrophobicContact CD2-CD2 4.17Å; L519-F524 HydrophobicContact CD2-CE1 3.83Å; L519-F524 HydrophobicContact CD2-CE2 4.22Å; L519-F524 HydrophobicContact CD2-CG 3.94Å; L519-F524 HydrophobicContact CD2-CZ 4.06Å; L519-F524 HydrophobicContact CG-CE1 4.44Å
525P94.5Very high92.1Very high21 Ų2157.2 Ų57.214%0.13631%0.306CS..PPolyproline II helixtrans-66.4149.4-178.828.6-36000111.7P535 G538 L539P525-P535 HydrophobicContact CB-CB 3.72Å; P525-P535 HydrophobicContact CG-CB 3.6Å; P525-G538 WeakPolarHBondContact CB-O 3.47Å; P525-L539 HydrophobicContact CG-CB 4.46Å; P525-L539 HydrophobicContact CG-CD1 4.06Å
526K93.1Very high92.1Very high170 Ų17060.6 Ų60.674%0.73933%0.326SS*.PPolyproline II helixtrans-67.7136166.7-175.3176.7179.1179.70109.3V536K526-V536 WeakPolarHBondContact O-CG2 3.28Å; K526-V536 PolarHBondContact O-N 2.84Å
527M92.7Very high92.1Very high32 Ų3262.8 Ų62.816%0.15834%0.342CS..EExtended strand (participates in β ladder)trans-87.9130.1174.6-58.6-57.9-73.500110.6L310 L418 V533 P535L310-M527 HydrophobicContact CD2-CE 4.16Å; L310-M527 HydrophobicContact CD2-CG 4.2Å; L310-M527 HydrophobicContact CD2-SD 3.59Å; L310-M527 VanDerWaalsContact CD2-SD 3.59Å; L418-M527 HydrophobicContact CD1-CE 4.37Å; M527-V533 HydrophobicContact CE-CG1 3.65Å; M527-P535 HydrophobicContact SD-CB 3.96Å
528Q89.4Confident92Very high80 Ų8061.7 Ų61.737%0.37434%0.34SS..EExtended strand (participates in β ladder)trans-85.4130.2159.8174.9165.7-8.700108.3V530 V533 H534 V536Q528-V530 VanDerWaalsContact CG-O 3.31Å; Q528-V530 WeakPolarHBondContact CG-O 3.38Å; Q528-V530 PolarHBondContact NE2-O 3.33Å; Q528-V533 CarbonylContact O-C 3.5Å; Q528-V533 WeakPolarHBondContact O-CA 3.48Å; Q528-H534 VanDerWaalsContact CD-CE1 3.48Å; Q528-H534 PolarHBondContact N-O 3.38Å; Q528-H534 PolarHBondContact O-N 3.22Å; Q528-H534 PolarHBondContact OE1-NE2 3.49Å; Q528-V536 HydrophobicContact CB-CG2 3.97Å
529T85.6Confident92Very high16 Ų1657.7 Ų57.710%0.09832%0.316CS..  trans-108.2-2.8-17255.30000114.6S422S422-T529 PolarHBondContact OG-O 2.84Å
530V80.3Confident92Very high46 Ų4659 Ų5928%0.27932%0.32SS..SBendtrans-141.7137.5-179.3-178.60000108.7Q528Q528-V530 VanDerWaalsContact CG-O 3.31Å; Q528-V530 WeakPolarHBondContact CG-O 3.38Å; Q528-V530 PolarHBondContact NE2-O 3.33Å
531P77.9Confident92.1Very high75 Ų7557.2 Ų57.249%0.48731%0.306SS..SBendcis-77.3-27.6-1.330.7-34.4000113.8
532I90.3Very high92.2Very high34 Ų3457.6 Ų57.617%0.17430%0.303CS..BIsolated β-bridgetrans-122.7141.3176.2-60.7-64.2000108.2T300 P420 V421 H534T300-I532 HydrophobicContact CG2-CD1 4.36Å; P420-I532 WeakPolarHBondContact O-CA 3.48Å; V421-I532 HydrophobicContact CG2-CD1 3.9Å; I532-H534 PolarHBondContact O-N 2.79Å; I532-H534 PolarHBondContact O-ND1 3.33Å
533V93.9Very high92.4Very high0 Ų049.6 Ų49.60%026%0.26CS..  trans-69122.1-179.9177.90000110.9S303 L418 P419 P420 M527 Q528S303-V533 WeakPolarHBondContact CB-O 3.35Å; S303-V533 PolarHBondContact OG-O 2.84Å; L418-V533 HydrophobicContact CB-CG1 4.2Å; L418-V533 HydrophobicContact CD2-CG1 4.12Å; P419-V533 WeakPolarHBondContact O-CG2 3.37Å; P420-V533 PolarHBondContact O-N 3.04Å; P420-V533 VanDerWaalsContact O-N 3.11Å; M527-V533 HydrophobicContact CE-CG1 3.65Å; Q528-V533 CarbonylContact O-C 3.5Å; Q528-V533 WeakPolarHBondContact O-CA 3.48Å
534H94.3Very high92.3Very high35 Ų3549.1 Ų49.116%0.16225%0.254CS..EExtended strand (participates in β ladder)trans-158.3157.1176.262.7-76.6000111.5Y182 Q528 I532Y182-H534 HydrophobicContact CD1-CB 4.23Å; Y182-H534 HydrophobicContact CD2-CB 4.09Å; Y182-H534 HydrophobicContact CE1-CB 3.75Å; Y182-H534 AromaticContact CE1-CD2 3.94Å; Y182-H534 HydrophobicContact CE2-CB 3.62Å; Y182-H534 HydrophobicContact CG-CB 4.38Å; Y182-H534 VanDerWaalsContact CZ-CB 3.42Å; Y182-H534 AromaticContact CZ-CG 3.92Å; Q528-H534 VanDerWaalsContact CD-CE1 3.48Å; Q528-H534 PolarHBondContact N-O 3.38Å; Q528-H534 PolarHBondContact O-N 3.22Å; Q528-H534 PolarHBondContact OE1-NE2 3.49Å; I532-H534 PolarHBondContact O-N 2.79Å; I532-H534 PolarHBondContact O-ND1 3.33Å
535P95.5Very high91.9Very high3 Ų348.3 Ų48.32%0.01925%0.249CC..EExtended strand (participates in β ladder)trans-70.9134.9172.930-35.4000111.1T306 P525 M527 N537 G538 L539T306-P535 HydrophobicContact CG2-CG 4.05Å; P525-P535 HydrophobicContact CB-CB 3.72Å; P525-P535 HydrophobicContact CG-CB 3.6Å; M527-P535 HydrophobicContact SD-CB 3.96Å; P535-N537 VanDerWaalsContact C-N 3.31Å; P535-N537 PolarHBondContact O-N 3.31Å; P535-G538 WeakPolarHBondContact CB-O 3.17Å; P535-G538 VanDerWaalsContact CG-C 3.49Å; P535-G538 PolarHBondContact O-N 3.33Å; P535-L539 HydrophobicContact CG-CB 4.06Å
536V90.8Very high91Very high75 Ų7548.7 Ų48.746%0.45525%0.25SC..THydrogen-bonded Turntrans-61.2-37.9-174.8174.80000112.6K526 Q528K526-V536 WeakPolarHBondContact O-CG2 3.28Å; K526-V536 PolarHBondContact O-N 2.84Å; Q528-V536 HydrophobicContact CB-CG2 3.97Å
537N89.9Confident89.1Confident129 Ų12944 Ų4469%0.6924%0.238SC*.THydrogen-bonded Turntrans-115.331.1-177.9-63.9-27000111.8P535 H540P535-N537 VanDerWaalsContact C-N 3.31Å; P535-N537 PolarHBondContact O-N 3.31Å; N537-H540 PolarHBondContact O-CE1 2.9Å; N537-H540 PolarHBondContact O-ND1 3.45Å
538G93.9Very high87Confident8 Ų848.9 Ų48.98%0.08227%0.265CS..  trans69.7175.9-172.500000113D180 P525 P535D180-G538 VanDerWaalsContact OD1-CA 3.29Å; D180-G538 WeakPolarHBondContact OD1-CA 3.43Å; P525-G538 WeakPolarHBondContact CB-O 3.47Å; P535-G538 WeakPolarHBondContact CB-O 3.17Å; P535-G538 VanDerWaalsContact CG-C 3.49Å; P535-G538 PolarHBondContact O-N 3.33Å
539L97.6Very high85Confident0 Ų047 Ų470%026%0.256CS..  trans-120.7100.2173.517162.9000107.7V179 D180 V181 T306 I309 L310 L313 L519 P525 P535 V541V179-L539 VanDerWaalsContact O-O 3.06Å; D180-L539 PolarHBondContact OD1-N 2.79Å; D180-L539 VanDerWaalsContact OD1-N 3.14Å; V181-L539 HydrophobicContact CB-CB 4.15Å; V181-L539 HydrophobicContact CB-CD2 4.11Å; V181-L539 HydrophobicContact CB-CG 4.17Å; V181-L539 WeakPolarHBondContact CB-O 3.29Å; V181-L539 HydrophobicContact CG1-CD2 4.29Å; V181-L539 HydrophobicContact CG2-CD2 4.33Å; V181-L539 HydrophobicContact CG2-CG 4.24Å; V181-L539 WeakPolarHBondContact CG2-O 3.45Å; V181-L539 PolarHBondContact N-O 3.49Å; T306-L539 HydrophobicContact CG2-CB 4.18Å; T306-L539 HydrophobicContact CG2-CD2 4.02Å; I309-L539 HydrophobicContact CB-CD2 4.44Å; I309-L539 HydrophobicContact CG2-CD2 4.29Å; L310-L539 HydrophobicContact CB-CD2 3.94Å; L310-L539 HydrophobicContact CD1-CD1 4.14Å; L313-L539 HydrophobicContact CD1-CD1 4.36Å; L519-L539 HydrophobicContact CD1-CD1 3.8Å; P525-L539 HydrophobicContact CG-CB 4.46Å; P525-L539 HydrophobicContact CG-CD1 4.06Å; P535-L539 HydrophobicContact CG-CB 4.06Å; L539-V541 HydrophobicContact CD1-CG2 4.06Å; L539-V541 HydrophobicContact CD2-CG2 4.42Å; L539-V541 HydrophobicContact CG-CG2 3.79Å
540H98.1Very high82.7Confident66 Ų6657.6 Ų57.631%0.30630%0.295SS..EExtended strand (participates in β ladder)trans-89.2119-174.4-66.590.5000110.8P178 V179 A520 T521 N537P178-H540 HydrophobicContact CB-CB 4.22Å; V179-H540 WeakPolarHBondContact O-CA 3.4Å; A520-H540 HydrophobicContact CB-CB 4.03Å; A520-H540 WeakPolarHBondContact CB-O 3.39Å; A520-H540 PolarHBondContact N-O 3.47Å; T521-H540 HydrophobicContact CG2-CB 4.38Å; N537-H540 PolarHBondContact O-CE1 2.9Å; N537-H540 PolarHBondContact O-ND1 3.45Å
541V98.4Very high82.8Confident0 Ų058.2 Ų58.20%030%0.296CS..EExtended strand (participates in β ladder)trans-138.1135.9-171.4-178.10000109.7V179 V181 L313 W517 T518 L539 F543V179-V541 PolarHBondContact N-O 3.1Å; V179-V541 PolarHBondContact O-N 3.23Å; V181-V541 HydrophobicContact CG2-CB 3.94Å; V181-V541 HydrophobicContact CG2-CG2 3.68Å; L313-V541 HydrophobicContact CD1-CG1 4.32Å; L313-V541 HydrophobicContact CD1-CG2 3.64Å; W517-V541 HydrophobicContact CB-CG1 3.81Å; W517-V541 HydrophobicContact CG-CG1 4.49Å; T518-V541 WeakPolarHBondContact O-CA 3.45Å; T518-V541 WeakPolarHBondContact O-CG1 3.27Å; L539-V541 HydrophobicContact CD1-CG2 4.06Å; L539-V541 HydrophobicContact CD2-CG2 4.42Å; L539-V541 HydrophobicContact CG-CG2 3.79Å; V541-F543 HydrophobicContact CB-CD2 4.25Å; V541-F543 HydrophobicContact CB-CE2 3.59Å; V541-F543 HydrophobicContact CB-CZ 4Å; V541-F543 HydrophobicContact CG1-CD2 4.02Å; V541-F543 HydrophobicContact CG1-CE1 4.17Å; V541-F543 HydrophobicContact CG1-CE2 3.56Å; V541-F543 HydrophobicContact CG1-CZ 3.63Å
542H97.9Very high83Confident68 Ų6857.3 Ų57.332%0.31529%0.285SS..EExtended strand (participates in β ladder)trans-86.5129.4167.7-69.5-72.2000109.4W517 T518W517-H542 CarbonylContact C-O 3.58Å; W517-H542 WeakPolarHBondContact CA-O 3.28Å; T518-H542 PolarHBondContact N-O 2.86Å; T518-H542 PolarHBondContact O-N 3.28Å
543F96.3Very high82.6Confident5 Ų558.6 Ų58.62%0.02229%0.292CS..EExtended strand (participates in β ladder)trans-114.3137.1175-67.6-91.2000109.7W172 V179 V181 I309 W517 V541W172-F543 HydrophobicContact CB-CB 4.2Å; W172-F543 HydrophobicContact CB-CD2 3.95Å; W172-F543 HydrophobicContact CB-CG 4.06Å; W172-F543 HydrophobicContact CE3-CD1 4.37Å; W172-F543 AromaticContact CE3-CE1 3.99Å; W172-F543 HydrophobicContact CE3-CE1 3.99Å; W172-F543 HydrophobicContact CE3-CE2 4.13Å; W172-F543 AromaticContact CE3-CZ 3.85Å; W172-F543 HydrophobicContact CE3-CZ 3.85Å; W172-F543 HydrophobicContact CZ3-CE1 4.44Å; W172-F543 HydrophobicContact CZ3-CZ 4.25Å; V179-F543 HydrophobicContact CB-CD2 4.12Å; V179-F543 HydrophobicContact CB-CE2 4.13Å; V179-F543 HydrophobicContact CG2-CD2 4.09Å; V181-F543 HydrophobicContact CG2-CE2 3.84Å; V181-F543 HydrophobicContact CG2-CZ 3.89Å; I309-F543 HydrophobicContact CG2-CZ 4.32Å; W517-F543 HydrophobicContact CB-CD1 3.6Å; W517-F543 HydrophobicContact CB-CE1 3.69Å; W517-F543 HydrophobicContact CB-CG 4.32Å; W517-F543 HydrophobicContact CB-CZ 4.48Å; W517-F543 HydrophobicContact CG-CD1 4.46Å; W517-F543 HydrophobicContact CG-CE1 4.17Å; V541-F543 HydrophobicContact CB-CD2 4.25Å; V541-F543 HydrophobicContact CB-CE2 3.59Å; V541-F543 HydrophobicContact CB-CZ 4Å; V541-F543 HydrophobicContact CG1-CD2 4.02Å; V541-F543 HydrophobicContact CG1-CE1 4.17Å; V541-F543 HydrophobicContact CG1-CE2 3.56Å; V541-F543 HydrophobicContact CG1-CZ 3.63Å
544N92Very high82Confident97 Ų9762 Ų6252%0.51931%0.309SS..EExtended strand (participates in β ladder)trans-137.4148.8172.3-66.9-76.3000108.8C515 K516 D546C515-N544 CarbonylContact C-O 3.56Å; C515-N544 WeakPolarHBondContact CA-O 3.47Å; K516-N544 PolarHBondContact N-O 2.99Å; K516-N544 PolarHBondContact O-N 3.29Å; N544-D546 PolarHBondContact O-N 2.76Å
545Y88.2Confident81.2Confident55 Ų5563.7 Ų63.722%0.21632%0.318CS..EExtended strand (participates in β ladder)trans-61.8138.1166.3-74.2-67.1000110A170 C173 R390 S547A170-Y545 VanDerWaalsContact CA-OH 3.23Å; A170-Y545 WeakPolarHBondContact CA-OH 3.05Å; A170-Y545 WeakPolarHBondContact CB-OH 3.49Å; C173-Y545 HydrophobicContact CB-CD2 3.88Å; C173-Y545 HydrophobicContact CB-CE2 3.74Å; C173-Y545 HydrophobicContact CB-CG 4.36Å; R390-Y545 HydrophobicContact CB-CD1 4.3Å; R390-Y545 HydrophobicContact CB-CE1 3.93Å; R390-Y545 HydrophobicContact CB-CE2 4.4Å; R390-Y545 HydrophobicContact CG-CE2 4.5Å; Y545-S547 PolarHBondContact O-N 3.33Å
546D74.5Confident80.2Confident29 Ų2967.7 Ų67.716%0.15534%0.338CS..  trans-66.9110176.3-166-16000110.3T514 K516 N544 L548 L549T514-D546 PolarHBondContact O-N 3.4Å; T514-D546 VanDerWaalsContact O-N 3.11Å; K516-D546 HydrophobicContact CD-CB 4.33Å; K516-D546 WeakPolarHBondContact CE-OD1 3.24Å; K516-D546 VanDerWaalsContact CE-OD2 3.23Å; K516-D546 WeakPolarHBondContact CE-OD2 3.43Å; K516-D546 HydrophobicContact CG-CB 4.09Å; K516-D546 IonicContact NZ-OD1 2.69Å; K516-D546 PolarHBondContact NZ-OD1 3.48Å; K516-D546 IonicContact NZ-OD2 3.56Å; N544-D546 PolarHBondContact O-N 2.76Å; D546-L548 VanDerWaalsContact C-N 3.25Å; D546-L548 PolarHBondContact O-N 2.59Å; D546-L548 PolarHBondContact OD1-N 2.94Å; D546-L549 HydrophobicContact CB-CD1 3.79Å; D546-L549 HydrophobicContact CB-CG 3.87Å; D546-L549 WeakPolarHBondContact O-CB 3.37Å; D546-L549 PolarHBondContact O-N 3Å
547S54.5Low79.5Confident71 Ų7167.2 Ų67.250%0.49733%0.33SS..THydrogen-bonded Turntrans-74.5-11.1-178.661.70000114.2Y545Y545-S547 PolarHBondContact O-N 3.33Å
548L47.3Very low78.7Confident135 Ų13562.5 Ų62.571%0.70730%0.302SS*.THydrogen-bonded Turntrans-81.7-4.7172.6-66.6173.9000112.3D546 R550D546-L548 VanDerWaalsContact C-N 3.25Å; D546-L548 PolarHBondContact O-N 2.59Å; D546-L548 PolarHBondContact OD1-N 2.94Å; L548-R550 VanDerWaalsContact C-N 3.3Å
549L48.2Very low77.4Confident39 Ų3967 Ų6720%0.20432%0.32CS..  trans-96.835.4170.6-51.6-178.8000110.7Y333 D546Y333-L549 HydrophobicContact CD1-CB 4.06Å; Y333-L549 HydrophobicContact CD1-CD2 3.65Å; Y333-L549 HydrophobicContact CD1-CG 4.41Å; Y333-L549 HydrophobicContact CD2-CB 3.48Å; Y333-L549 VanDerWaalsContact CD2-CB 3.48Å; Y333-L549 HydrophobicContact CD2-CD2 4.2Å; Y333-L549 HydrophobicContact CD2-CG 4.22Å; Y333-L549 HydrophobicContact CE1-CB 4.27Å; Y333-L549 HydrophobicContact CE2-CB 3.73Å; Y333-L549 WeakPolarHBondContact CE2-O 3.31Å; Y333-L549 HydrophobicContact CG-CB 3.64Å; Y333-L549 HydrophobicContact CG-CD1 4.42Å; Y333-L549 HydrophobicContact CG-CD2 3.43Å; Y333-L549 VanDerWaalsContact CG-CD2 3.43Å; Y333-L549 HydrophobicContact CG-CG 3.95Å; Y333-L549 PolarHBondContact OH-O 2.82Å; D546-L549 HydrophobicContact CB-CD1 3.79Å; D546-L549 HydrophobicContact CB-CG 3.87Å; D546-L549 WeakPolarHBondContact O-CB 3.37Å; D546-L549 PolarHBondContact O-N 3Å
550R36.1Very low75.6Confident239 Ų23973.1 Ų73.190%0.90235%0.349SS*.  trans-110.90177.7-77.9-170.6-175.1-175.15.1112Y333 L548Y333-R550 PolarHBondContact OH-N 3.04Å; Y333-R550 PolarHBondContact OH-OXT 2.7Å; L548-R550 VanDerWaalsContact C-N 3.3Å

Retrieved 550 of 550 residues in 1409.3 ms (Link to these results)

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