A0A087YMC9_POEFO Loading...

Hyaluronan synthase 2

Catalyzes the addition of GlcNAc or GlcUA monosaccharides to the nascent hyaluronan polymer. Therefore, it is essential to hyaluronan synthesis a major component of most extracellular matrices that has a structural role in tissues architectures and regulates cell adhesion, migration and differentiation. This is one of three isoenzymes responsible for cellular hyaluronan synthesis and it is particularly responsible for the synthesis of high molecular mass hyaluronan.

AlphaFold DB , UniProt , Accession A0A087YMC9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 562 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
1N54.4Low55.7Low181 Ų181115.1 Ų115.197%0.96861%0.609SS**  0-43.90-70-6000114.5F3 S5N1-F3 PolarHBondContact O-N 2.83Å; N1-S5 WeakPolarHBondContact O-CB 3.27Å; N1-S5 PolarHBondContact O-N 3.31Å; N1-S5 VanDerWaalsContact O-N 3.1Å
2T56.2Low56.2Low131 Ų131111.5 Ų111.580%0.80460%0.599SS**Hα-helixtrans-64.2-36.3177.314.90000114.6S6T2-S6 PolarHBondContact O-N 3.34Å; T2-S6 PolarHBondContact O-OG 2.81Å
3F52.4Low57.2Low178 Ų178112.1 Ų112.178%0.78160%0.595SS**Hα-helixtrans-75.7-32.7179.7-137.6-90.4000113.9N1 S6 C7N1-F3 PolarHBondContact O-N 2.83Å; F3-S6 PolarHBondContact O-OG 3.42Å; F3-C7 VanDerWaalsContact O-CB 3.29Å; F3-C7 WeakPolarHBondContact O-CB 3.48Å; F3-C7 PolarHBondContact O-N 3.4Å; F3-C7 VanDerWaalsContact O-N 3.15Å
4L51.8Low58.2Low122 Ų122115.2 Ų115.264%0.63960%0.595SS**Hα-helixtrans-73.6-37.7173-102.1107000111.2C7 L8L4-C7 PolarHBondContact O-N 3.29Å; L4-L8 WeakPolarHBondContact O-CB 3.29Å; L4-L8 WeakPolarHBondContact O-CD1 3.46Å; L4-L8 PolarHBondContact O-N 3.03Å
5S52.8Low59.2Low71 Ų71113.1 Ų113.150%0.49759%0.589SS.*Hα-helixtrans-63.2-44.9175.1177.60000111.7N1 C7 L8 Q9N1-S5 WeakPolarHBondContact O-CB 3.27Å; N1-S5 PolarHBondContact O-N 3.31Å; N1-S5 VanDerWaalsContact O-N 3.1Å; S5-C7 PolarHBondContact O-N 3.31Å; S5-L8 PolarHBondContact O-N 2.93Å; S5-Q9 VanDerWaalsContact O-CB 3.23Å; S5-Q9 WeakPolarHBondContact O-CB 3.35Å; S5-Q9 PolarHBondContact O-N 3.46Å
6S55.4Low60.2Low50 Ų50111.1 Ų111.135%0.3558%0.579SS.*Hα-helixtrans-65.8-37.7175.863.60000112.8T2 F3 Q9 M10T2-S6 PolarHBondContact O-N 3.34Å; T2-S6 PolarHBondContact O-OG 2.81Å; F3-S6 PolarHBondContact O-OG 3.42Å; S6-Q9 PolarHBondContact O-N 3.42Å; S6-M10 WeakPolarHBondContact O-CB 3.47Å; S6-M10 WeakPolarHBondContact O-CG 3.36Å; S6-M10 PolarHBondContact O-N 2.82Å
7C53.3Low61.1Low59 Ų59107.8 Ų107.840%0.39957%0.567SS.*Hα-helixtrans-69.9-39.1177.3-165.60000112.5F3 L4 S5 K11F3-C7 VanDerWaalsContact O-CB 3.29Å; F3-C7 WeakPolarHBondContact O-CB 3.48Å; F3-C7 PolarHBondContact O-N 3.4Å; F3-C7 VanDerWaalsContact O-N 3.15Å; L4-C7 PolarHBondContact O-N 3.29Å; S5-C7 PolarHBondContact O-N 3.31Å; C7-K11 WeakPolarHBondContact O-CB 3.26Å; C7-K11 WeakPolarHBondContact O-CG 3.33Å; C7-K11 PolarHBondContact O-N 2.92Å
8L55.4Low62.1Low119 Ų119110.6 Ų110.662%0.62357%0.57SS**Hα-helixtrans-65.4-40.8171.1-101.9112.6000111.7L4 S5 K11 C12L4-L8 WeakPolarHBondContact O-CB 3.29Å; L4-L8 WeakPolarHBondContact O-CD1 3.46Å; L4-L8 PolarHBondContact O-N 3.03Å; S5-L8 PolarHBondContact O-N 2.93Å; L8-K11 PolarHBondContact O-N 3.18Å; L8-C12 VanDerWaalsContact O-CB 3.22Å; L8-C12 WeakPolarHBondContact O-CB 3.34Å; L8-C12 PolarHBondContact O-N 2.87Å
9Q57.3Low63Low115 Ų115110.6 Ų110.654%0.53757%0.571SS.*Hα-helixtrans-66.2-39.6178.1-165.5171-3.200111.5S5 S6 C12 Q13S5-Q9 VanDerWaalsContact O-CB 3.23Å; S5-Q9 WeakPolarHBondContact O-CB 3.35Å; S5-Q9 PolarHBondContact O-N 3.46Å; S6-Q9 PolarHBondContact O-N 3.42Å; Q9-C12 PolarHBondContact O-N 3.12Å; Q9-Q13 WeakPolarHBondContact O-CB 3.36Å; Q9-Q13 WeakPolarHBondContact O-CG 3.08Å; Q9-Q13 PolarHBondContact O-N 3.19Å
10M59.9Low64Low100 Ų100112.6 Ų112.649%0.49357%0.57SS.*Hα-helixtrans-65-43.1172-80.5177.451.900112.8S6 Q13 R14S6-M10 WeakPolarHBondContact O-CB 3.47Å; S6-M10 WeakPolarHBondContact O-CG 3.36Å; S6-M10 PolarHBondContact O-N 2.82Å; M10-Q13 PolarHBondContact O-N 3.41Å; M10-R14 WeakPolarHBondContact O-CG 3.44Å; M10-R14 PolarHBondContact O-N 2.85Å
11K63.3Low64.8Low140 Ų140110.1 Ų110.161%0.60956%0.558SS**Hα-helixtrans-64.4-42.2175.5-78.1-179.2178.2-178.40111.2C7 L8 R14 V15C7-K11 WeakPolarHBondContact O-CB 3.26Å; C7-K11 WeakPolarHBondContact O-CG 3.33Å; C7-K11 PolarHBondContact O-N 2.92Å; L8-K11 PolarHBondContact O-N 3.18Å; K11-R14 PolarHBondContact O-N 3.34Å; K11-V15 VanDerWaalsContact O-CG2 3.3Å; K11-V15 WeakPolarHBondContact O-CG2 3.36Å; K11-V15 PolarHBondContact O-N 2.94Å
12C62.6Low66.2Low72 Ų72108 Ų10849%0.48654%0.54SS..Hα-helixtrans-63.3-44.5176.3-168.30000111.5L8 Q9 R14 V15 L16L8-C12 VanDerWaalsContact O-CB 3.22Å; L8-C12 WeakPolarHBondContact O-CB 3.34Å; L8-C12 PolarHBondContact O-N 2.87Å; Q9-C12 PolarHBondContact O-N 3.12Å; C12-R14 PolarHBondContact O-N 3.29Å; C12-V15 PolarHBondContact O-N 2.85Å; C12-L16 WeakPolarHBondContact O-CB 3.38Å; C12-L16 PolarHBondContact O-N 2.97Å
13Q68.5Low67.4Low119 Ų119103.5 Ų103.556%0.55652%0.52SS*.Hα-helixtrans-63-38.9174.7-80.2-179.2-18.800113Q9 M10 S17Q9-Q13 WeakPolarHBondContact O-CB 3.36Å; Q9-Q13 WeakPolarHBondContact O-CG 3.08Å; Q9-Q13 PolarHBondContact O-N 3.19Å; M10-Q13 PolarHBondContact O-N 3.41Å; Q13-S17 WeakPolarHBondContact O-CB 3.38Å; Q13-S17 PolarHBondContact O-N 3.03Å; Q13-S17 PolarHBondContact O-OG 3.4Å
14R70.8Confident68.9Low156 Ų15695.7 Ų95.759%0.58949%0.487SS*.Hα-helixtrans-63.8-46.8173.4-76.6-177.2-173.2-176.42.4111.2M10 K11 C12 S17 Y18M10-R14 WeakPolarHBondContact O-CG 3.44Å; M10-R14 PolarHBondContact O-N 2.85Å; K11-R14 PolarHBondContact O-N 3.34Å; C12-R14 PolarHBondContact O-N 3.29Å; R14-S17 WeakPolarHBondContact O-CB 3.39Å; R14-S17 PolarHBondContact O-N 2.9Å; R14-S17 VanDerWaalsContact O-N 3.15Å; R14-Y18 HydrophobicContact CB-CD2 4.49Å; R14-Y18 HydrophobicContact CB-CE2 4.27Å; R14-Y18 WeakPolarHBondContact O-CD2 3.48Å; R14-Y18 PolarHBondContact O-N 2.92Å
15V73.3Confident70.4Confident83 Ų8393.5 Ų93.550%0.50348%0.479SS..Hα-helixtrans-61.4-45.5177.4172.10000111.4K11 C12 S17 Y18 L19K11-V15 VanDerWaalsContact O-CG2 3.3Å; K11-V15 WeakPolarHBondContact O-CG2 3.36Å; K11-V15 PolarHBondContact O-N 2.94Å; C12-V15 PolarHBondContact O-N 2.85Å; V15-S17 VanDerWaalsContact C-N 3.28Å; V15-S17 PolarHBondContact O-N 2.88Å; V15-Y18 PolarHBondContact O-N 2.82Å; V15-L19 HydrophobicContact CG1-CD1 4.03Å; V15-L19 HydrophobicContact CG1-CG 4.42Å; V15-L19 WeakPolarHBondContact O-CB 3.26Å; V15-L19 WeakPolarHBondContact O-CG 3.21Å; V15-L19 PolarHBondContact O-N 2.92Å
16L75.1Confident72Confident82 Ų8294 Ų9443%0.42947%0.474SS..Hα-helixtrans-59.2-38.8173.2-97.8134.2000112.4C12 L19 R20C12-L16 WeakPolarHBondContact O-CB 3.38Å; C12-L16 PolarHBondContact O-N 2.97Å; L16-L19 PolarHBondContact O-N 3.5Å; L16-R20 WeakPolarHBondContact O-CB 3.32Å; L16-R20 VanDerWaalsContact O-CG 3.31Å; L16-R20 WeakPolarHBondContact O-CG 3.49Å; L16-R20 PolarHBondContact O-N 3.22Å
17S75.8Confident73.5Confident54 Ų5495.3 Ų95.338%0.37847%0.474SS..Hα-helixtrans-66.3-45.1176.2-58.80000111.2Q13 R14 V15 L19 R20 I21Q13-S17 WeakPolarHBondContact O-CB 3.38Å; Q13-S17 PolarHBondContact O-N 3.03Å; Q13-S17 PolarHBondContact O-OG 3.4Å; R14-S17 WeakPolarHBondContact O-CB 3.39Å; R14-S17 PolarHBondContact O-N 2.9Å; R14-S17 VanDerWaalsContact O-N 3.15Å; V15-S17 VanDerWaalsContact C-N 3.28Å; V15-S17 PolarHBondContact O-N 2.88Å; S17-L19 PolarHBondContact O-N 3.28Å; S17-R20 PolarHBondContact O-N 3.16Å; S17-I21 WeakPolarHBondContact O-CD1 3.37Å; S17-I21 WeakPolarHBondContact O-CG1 3.27Å; S17-I21 PolarHBondContact O-N 2.96Å
18Y79.6Confident75Confident158 Ų15892.9 Ų92.962%0.6246%0.459SS*.Hα-helixtrans-62.1-40.9174.8-73.5-63.6000112.3R14 V15 I21 F22R14-Y18 HydrophobicContact CB-CD2 4.49Å; R14-Y18 HydrophobicContact CB-CE2 4.27Å; R14-Y18 WeakPolarHBondContact O-CD2 3.48Å; R14-Y18 PolarHBondContact O-N 2.92Å; V15-Y18 PolarHBondContact O-N 2.82Å; Y18-I21 PolarHBondContact O-N 3.34Å; Y18-F22 WeakPolarHBondContact O-CB 3.44Å; Y18-F22 PolarHBondContact O-N 3.41Å
19L80Confident76.5Confident111 Ų11190.5 Ų90.558%0.58145%0.45SS*.Hα-helixtrans-64-40.2175.3-73.2171.7000111.9V15 L16 S17 G23V15-L19 HydrophobicContact CG1-CD1 4.03Å; V15-L19 HydrophobicContact CG1-CG 4.42Å; V15-L19 WeakPolarHBondContact O-CB 3.26Å; V15-L19 WeakPolarHBondContact O-CG 3.21Å; V15-L19 PolarHBondContact O-N 2.92Å; L16-L19 PolarHBondContact O-N 3.5Å; S17-L19 PolarHBondContact O-N 3.28Å; L19-G23 PolarHBondContact O-N 2.99Å
20R81.8Confident77.9Confident151 Ų15188.7 Ų88.757%0.5745%0.45SS*.Hα-helixtrans-67-41.8174.3-74.8179.3-179-167.81.1112L16 S17 G23 T24 H380L16-R20 WeakPolarHBondContact O-CB 3.32Å; L16-R20 VanDerWaalsContact O-CG 3.31Å; L16-R20 WeakPolarHBondContact O-CG 3.49Å; L16-R20 PolarHBondContact O-N 3.22Å; S17-R20 PolarHBondContact O-N 3.16Å; R20-G23 PolarHBondContact O-N 3.33Å; R20-T24 WeakPolarHBondContact O-CB 3.25Å; R20-T24 WeakPolarHBondContact O-CG2 3.29Å; R20-T24 PolarHBondContact O-N 3.35Å; R20-T24 PolarHBondContact O-OG1 3.42Å; R20-H380 HydrophobicContact CB-CB 4.29Å
21I81.4Confident79.2Confident60 Ų6085.7 Ų85.731%0.30844%0.435SS..Hα-helixtrans-59.4-51.4174.8-68.9162.3000109.8S17 Y18 T24 T25 H380S17-I21 WeakPolarHBondContact O-CD1 3.37Å; S17-I21 WeakPolarHBondContact O-CG1 3.27Å; S17-I21 PolarHBondContact O-N 2.96Å; Y18-I21 PolarHBondContact O-N 3.34Å; I21-T24 PolarHBondContact O-OG1 2.72Å; I21-T25 WeakPolarHBondContact O-CB 3.48Å; I21-T25 PolarHBondContact O-N 3.42Å; I21-T25 PolarHBondContact O-OG1 3.37Å; I21-H380 HydrophobicContact CB-CB 4.31Å; I21-H380 HydrophobicContact CG1-CB 3.71Å
22F83.5Confident80.2Confident136 Ų13681 Ų8160%0.59642%0.417SS*.Hα-helixtrans-60.6-48.7178.5-176.2-100.3000111.6Y18 T24 T25 M26Y18-F22 WeakPolarHBondContact O-CB 3.44Å; Y18-F22 PolarHBondContact O-N 3.41Å; F22-T24 PolarHBondContact O-N 2.83Å; F22-T25 PolarHBondContact O-N 2.86Å; F22-M26 HydrophobicContact CD1-CG 4.05Å; F22-M26 HydrophobicContact CD2-CG 4.27Å; F22-M26 HydrophobicContact CE1-CG 3.68Å; F22-M26 HydrophobicContact CE1-SD 4.43Å; F22-M26 HydrophobicContact CE2-CG 3.91Å; F22-M26 HydrophobicContact CE2-SD 4.21Å; F22-M26 HydrophobicContact CG-CG 4.34Å; F22-M26 HydrophobicContact CZ-CG 3.6Å; F22-M26 HydrophobicContact CZ-SD 3.86Å; F22-M26 VanDerWaalsContact O-CB 3.27Å; F22-M26 WeakPolarHBondContact O-CB 3.45Å; F22-M26 VanDerWaalsContact O-CG 3.23Å; F22-M26 WeakPolarHBondContact O-CG 3.32Å; F22-M26 PolarHBondContact O-N 2.99Å
23G81.8Confident81.4Confident37 Ų3781.4 Ų81.438%0.38142%0.417SS..Hα-helixtrans-62.3-45.4-179.200000113.3L19 R20 F27L19-G23 PolarHBondContact O-N 2.99Å; R20-G23 PolarHBondContact O-N 3.33Å; G23-F27 VanDerWaalsContact O-CB 3.31Å; G23-F27 WeakPolarHBondContact O-CB 3.35Å; G23-F27 PolarHBondContact O-N 3.43Å
24T83.1Confident82.1Confident15 Ų1577.7 Ų77.79%0.09241%0.41CS..Hα-helixtrans-69.2-36.9178.152.30000112.5R20 I21 F22 F27 G28 H380 L384R20-T24 WeakPolarHBondContact O-CB 3.25Å; R20-T24 WeakPolarHBondContact O-CG2 3.29Å; R20-T24 PolarHBondContact O-N 3.35Å; R20-T24 PolarHBondContact O-OG1 3.42Å; I21-T24 PolarHBondContact O-OG1 2.72Å; F22-T24 PolarHBondContact O-N 2.83Å; T24-F27 PolarHBondContact O-N 3.46Å; T24-G28 PolarHBondContact O-N 3.3Å; T24-H380 HydrophobicContact CG2-CB 4.4Å; T24-H380 WeakPolarHBondContact OG1-CB 3.31Å; T24-L384 HydrophobicContact CG2-CD2 3.81Å
25T83.3Confident82.7Confident76 Ų7670.7 Ų70.747%0.46638%0.384SS..Hα-helixtrans-68.3-46.2176.1-54.70000110.8I21 F22 F27 G28 V29I21-T25 WeakPolarHBondContact O-CB 3.48Å; I21-T25 PolarHBondContact O-N 3.42Å; I21-T25 PolarHBondContact O-OG1 3.37Å; F22-T25 PolarHBondContact O-N 2.86Å; T25-F27 VanDerWaalsContact C-N 3.34Å; T25-F27 PolarHBondContact O-N 2.87Å; T25-G28 PolarHBondContact O-N 3.46Å; T25-V29 HydrophobicContact CG2-CG2 4.4Å; T25-V29 WeakPolarHBondContact O-CB 3.47Å; T25-V29 VanDerWaalsContact O-CG2 3.32Å; T25-V29 WeakPolarHBondContact O-CG2 3.45Å; T25-V29 PolarHBondContact O-N 3.01Å
26M87Confident83.1Confident80 Ų8068.2 Ų68.239%0.39437%0.37SS..Hα-helixtrans-58.5-45.4173.6-75-76.594.100111.3F22 G28 V29 S30F22-M26 HydrophobicContact CD1-CG 4.05Å; F22-M26 HydrophobicContact CD2-CG 4.27Å; F22-M26 HydrophobicContact CE1-CG 3.68Å; F22-M26 HydrophobicContact CE1-SD 4.43Å; F22-M26 HydrophobicContact CE2-CG 3.91Å; F22-M26 HydrophobicContact CE2-SD 4.21Å; F22-M26 HydrophobicContact CG-CG 4.34Å; F22-M26 HydrophobicContact CZ-CG 3.6Å; F22-M26 HydrophobicContact CZ-SD 3.86Å; F22-M26 VanDerWaalsContact O-CB 3.27Å; F22-M26 WeakPolarHBondContact O-CB 3.45Å; F22-M26 VanDerWaalsContact O-CG 3.23Å; F22-M26 WeakPolarHBondContact O-CG 3.32Å; F22-M26 PolarHBondContact O-N 2.99Å; M26-G28 PolarHBondContact O-N 2.9Å; M26-V29 PolarHBondContact O-N 3.39Å; M26-S30 VanDerWaalsContact O-CB 3.27Å; M26-S30 WeakPolarHBondContact O-CB 3.34Å; M26-S30 PolarHBondContact O-N 3.21Å; M26-S30 PolarHBondContact O-OG 2.91Å
27F87.8Confident83.5Confident78 Ų7867.1 Ų67.134%0.34237%0.368SS..Hα-helixtrans-57.7-47.9174.8175.4-103.8000112.3G23 T24 T25 L31 L384 T387G23-F27 VanDerWaalsContact O-CB 3.31Å; G23-F27 WeakPolarHBondContact O-CB 3.35Å; G23-F27 PolarHBondContact O-N 3.43Å; T24-F27 PolarHBondContact O-N 3.46Å; T25-F27 VanDerWaalsContact C-N 3.34Å; T25-F27 PolarHBondContact O-N 2.87Å; F27-L31 VanDerWaalsContact O-CB 3.25Å; F27-L31 WeakPolarHBondContact O-CB 3.19Å; F27-L31 PolarHBondContact O-N 2.92Å; F27-L384 HydrophobicContact CD1-CD2 4.03Å; F27-L384 HydrophobicContact CE1-CB 4.31Å; F27-L384 HydrophobicContact CG-CD2 4.33Å; F27-T387 HydrophobicContact CD1-CG2 4.25Å
28G83.7Confident83.6Confident9 Ų965 Ų659%0.09335%0.353CS..Hα-helixtrans-62.3-43.5178.200000113.1T24 T25 M26 L32T24-G28 PolarHBondContact O-N 3.3Å; T25-G28 PolarHBondContact O-N 3.46Å; M26-G28 PolarHBondContact O-N 2.9Å; G28-L32 WeakPolarHBondContact O-CB 3.49Å; G28-L32 PolarHBondContact O-N 3.14Å
29V86.2Confident83.5Confident69 Ų6959.8 Ų59.842%0.41833%0.333SS..Hα-helixtrans-67.4-47.2177.8172.30000110.9T25 M26 L31 L32 V33T25-V29 HydrophobicContact CG2-CG2 4.4Å; T25-V29 WeakPolarHBondContact O-CB 3.47Å; T25-V29 VanDerWaalsContact O-CG2 3.32Å; T25-V29 WeakPolarHBondContact O-CG2 3.45Å; T25-V29 PolarHBondContact O-N 3.01Å; M26-V29 PolarHBondContact O-N 3.39Å; V29-L31 VanDerWaalsContact C-N 3.29Å; V29-L31 PolarHBondContact O-N 2.88Å; V29-L32 PolarHBondContact O-N 3.34Å; V29-V33 HydrophobicContact CG1-CG2 4.16Å; V29-V33 WeakPolarHBondContact O-CB 3.28Å; V29-V33 VanDerWaalsContact O-CG2 3.27Å; V29-V33 WeakPolarHBondContact O-CG2 3.39Å; V29-V33 PolarHBondContact O-N 2.98Å
30S87.6Confident83.4Confident77 Ų7761 Ų6154%0.53834%0.339SS..Hα-helixtrans-60.4-39.4177.1-65.40000111.9M26 G34M26-S30 VanDerWaalsContact O-CB 3.27Å; M26-S30 WeakPolarHBondContact O-CB 3.34Å; M26-S30 PolarHBondContact O-N 3.21Å; M26-S30 PolarHBondContact O-OG 2.91Å; S30-G34 PolarHBondContact O-N 3.03Å
31L86.6Confident83.1Confident36 Ų3659.1 Ų59.119%0.18834%0.337CS..Hα-helixtrans-63.7-48.3174.4-178.371.8000111.3F27 V29 G34 I35 Y388 V391F27-L31 VanDerWaalsContact O-CB 3.25Å; F27-L31 WeakPolarHBondContact O-CB 3.19Å; F27-L31 PolarHBondContact O-N 2.92Å; V29-L31 VanDerWaalsContact C-N 3.29Å; V29-L31 PolarHBondContact O-N 2.88Å; L31-G34 PolarHBondContact O-N 3.11Å; L31-I35 HydrophobicContact CD1-CD1 4Å; L31-I35 HydrophobicContact CG-CD1 3.86Å; L31-I35 WeakPolarHBondContact O-CB 3.26Å; L31-I35 VanDerWaalsContact O-CG1 3.24Å; L31-I35 WeakPolarHBondContact O-CG1 3.29Å; L31-I35 PolarHBondContact O-N 3.06Å; L31-Y388 HydrophobicContact CD1-CD2 4.07Å; L31-Y388 HydrophobicContact CD1-CE2 4.26Å; L31-Y388 HydrophobicContact CD2-CD2 3.49Å; L31-Y388 VanDerWaalsContact CD2-CD2 3.49Å; L31-Y388 HydrophobicContact CD2-CE2 4.27Å; L31-Y388 HydrophobicContact CD2-CG 4.27Å; L31-Y388 HydrophobicContact CG-CD2 4.43Å; L31-V391 HydrophobicContact CD2-CB 3.94Å; L31-V391 HydrophobicContact CD2-CG1 3.95Å; L31-V391 HydrophobicContact CD2-CG2 4.42Å; L31-V391 HydrophobicContact CG-CG1 4.27Å
32L85.9Confident82.4Confident43 Ų4357.9 Ų57.923%0.22534%0.339CS..Hα-helixtrans-62.6-45179.2178.761.3000111.6G28 V29 I35 S36 V391 F395G28-L32 WeakPolarHBondContact O-CB 3.49Å; G28-L32 PolarHBondContact O-N 3.14Å; V29-L32 PolarHBondContact O-N 3.34Å; L32-I35 PolarHBondContact O-N 3.23Å; L32-S36 VanDerWaalsContact O-CB 3.23Å; L32-S36 WeakPolarHBondContact O-CB 3.34Å; L32-S36 PolarHBondContact O-N 2.71Å; L32-S36 PolarHBondContact O-OG 3.43Å; L32-V391 HydrophobicContact CB-CG1 4.03Å; L32-V391 HydrophobicContact CD1-CG1 4.22Å; L32-F395 HydrophobicContact CD1-CB 4.16Å; L32-F395 HydrophobicContact CD1-CD1 3.78Å; L32-F395 HydrophobicContact CD1-CD2 3.6Å; L32-F395 HydrophobicContact CD1-CE1 4.01Å; L32-F395 HydrophobicContact CD1-CE2 3.84Å; L32-F395 HydrophobicContact CD1-CG 3.56Å; L32-F395 HydrophobicContact CD1-CZ 4.04Å; L32-F395 HydrophobicContact CD2-CD2 4.39Å; L32-F395 HydrophobicContact CD2-CE1 3.99Å; L32-F395 HydrophobicContact CD2-CE2 3.76Å; L32-F395 HydrophobicContact CD2-CZ 3.53Å; L32-F395 HydrophobicContact CG-CE2 4.41Å; L32-F395 HydrophobicContact CG-CZ 4.45Å
33V86.5Confident81.5Confident80 Ų8058 Ų5849%0.48534%0.337SS..Hα-helixtrans-61.9-48.8175.8171.30000109.6V29 I35 S36 T37V29-V33 HydrophobicContact CG1-CG2 4.16Å; V29-V33 WeakPolarHBondContact O-CB 3.28Å; V29-V33 VanDerWaalsContact O-CG2 3.27Å; V29-V33 WeakPolarHBondContact O-CG2 3.39Å; V29-V33 PolarHBondContact O-N 2.98Å; V33-I35 VanDerWaalsContact C-N 3.34Å; V33-I35 PolarHBondContact O-N 3.47Å; V33-S36 PolarHBondContact O-N 2.96Å; V33-T37 VanDerWaalsContact O-CB 3.29Å; V33-T37 WeakPolarHBondContact O-CB 3.26Å; V33-T37 PolarHBondContact O-N 2.91Å; V33-T37 PolarHBondContact O-OG1 3.41Å
34G83.9Confident80.5Confident40 Ų4060.7 Ų60.741%0.41234%0.34SS..Hα-helixtrans-57.2-44.4178.400000113S30 L31 A38S30-G34 PolarHBondContact O-N 3.03Å; L31-G34 PolarHBondContact O-N 3.11Å; G34-A38 WeakPolarHBondContact O-CB 3.47Å; G34-A38 PolarHBondContact O-N 2.99Å
35I82.6Confident79.1Confident10 Ų1065.8 Ų65.85%0.05136%0.36CS..Hα-helixtrans-68.3-42.7177.1-66166.8000111.2L31 L32 V33 A38 Y39 Y58 I61 I392 F399L31-I35 HydrophobicContact CD1-CD1 4Å; L31-I35 HydrophobicContact CG-CD1 3.86Å; L31-I35 WeakPolarHBondContact O-CB 3.26Å; L31-I35 VanDerWaalsContact O-CG1 3.24Å; L31-I35 WeakPolarHBondContact O-CG1 3.29Å; L31-I35 PolarHBondContact O-N 3.06Å; L32-I35 PolarHBondContact O-N 3.23Å; V33-I35 VanDerWaalsContact C-N 3.34Å; V33-I35 PolarHBondContact O-N 3.47Å; I35-A38 PolarHBondContact O-N 2.89Å; I35-Y39 WeakPolarHBondContact O-CB 3.22Å; I35-Y39 PolarHBondContact O-N 2.9Å; I35-Y58 HydrophobicContact CG2-CD2 3.97Å; I35-Y58 HydrophobicContact CG2-CE2 3.86Å; I35-I61 HydrophobicContact CG1-CD1 4.49Å; I35-I392 HydrophobicContact CD1-CD1 3.4Å; I35-I392 VanDerWaalsContact CD1-CD1 3.4Å; I35-F399 HydrophobicContact CG2-CE2 3.93Å; I35-F399 HydrophobicContact CG2-CZ 4.11Å
36S82.8Confident77.8Confident30 Ų3069.6 Ų69.621%0.2137%0.371CS..Hα-helixtrans-66-42.5179.7-56.90000111.2L32 V33 Y39 I40L32-S36 VanDerWaalsContact O-CB 3.23Å; L32-S36 WeakPolarHBondContact O-CB 3.34Å; L32-S36 PolarHBondContact O-N 2.71Å; L32-S36 PolarHBondContact O-OG 3.43Å; V33-S36 PolarHBondContact O-N 2.96Å; S36-Y39 WeakPolarHBondContact O-CB 3.28Å; S36-Y39 PolarHBondContact O-N 3.44Å; S36-I40 WeakPolarHBondContact O-CB 3.4Å; S36-I40 WeakPolarHBondContact O-CD1 3.28Å; S36-I40 WeakPolarHBondContact O-CG1 3.41Å; S36-I40 PolarHBondContact O-N 2.9Å
37T82.1Confident76Confident60 Ų6069.3 Ų69.337%0.36837%0.374SS..Hα-helixtrans-64.9-44.7174.7-60.10000110.7V33 Y39 I40 M41V33-T37 VanDerWaalsContact O-CB 3.29Å; V33-T37 WeakPolarHBondContact O-CB 3.26Å; V33-T37 PolarHBondContact O-N 2.91Å; V33-T37 PolarHBondContact O-OG1 3.41Å; T37-Y39 PolarHBondContact O-N 2.91Å; T37-I40 PolarHBondContact O-N 3.06Å; T37-M41 HydrophobicContact CG2-CG 3.96Å; T37-M41 HydrophobicContact CG2-SD 3.55Å; T37-M41 VanDerWaalsContact CG2-SD 3.55Å; T37-M41 VanDerWaalsContact O-CB 3.26Å; T37-M41 WeakPolarHBondContact O-CB 3.42Å; T37-M41 VanDerWaalsContact O-CG 3.3Å; T37-M41 WeakPolarHBondContact O-CG 3.27Å; T37-M41 PolarHBondContact O-N 3.24Å
38A78.9Confident74.5Confident9 Ų969.1 Ų69.17%0.07438%0.379CS..Hα-helixtrans-58.4-38.2174.200000112.4G34 I35 G42 L57G34-A38 WeakPolarHBondContact O-CB 3.47Å; G34-A38 PolarHBondContact O-N 2.99Å; I35-A38 PolarHBondContact O-N 2.89Å; A38-G42 PolarHBondContact O-N 3.33Å; A38-L57 HydrophobicContact CB-CD2 3.5Å; A38-L57 VanDerWaalsContact CB-CD2 3.5Å; A38-L57 HydrophobicContact CB-CG 3.89Å
39Y78Confident72.7Confident48 Ų4873.2 Ų73.219%0.18841%0.412CS..Hα-helixtrans-69-49.9176179.9-94.6000112.2I35 S36 T37 G42 F399 T403I35-Y39 WeakPolarHBondContact O-CB 3.22Å; I35-Y39 PolarHBondContact O-N 2.9Å; S36-Y39 WeakPolarHBondContact O-CB 3.28Å; S36-Y39 PolarHBondContact O-N 3.44Å; T37-Y39 PolarHBondContact O-N 2.91Å; Y39-G42 PolarHBondContact O-N 3.29Å; Y39-F399 AromaticContact CD1-CD1 3.74Å; Y39-F399 HydrophobicContact CD1-CD1 3.74Å; Y39-F399 AromaticContact CD1-CE1 3.93Å; Y39-F399 HydrophobicContact CD1-CE1 3.93Å; Y39-F399 HydrophobicContact CD2-CB 4.48Å; Y39-F399 AromaticContact CD2-CD1 3.75Å; Y39-F399 HydrophobicContact CD2-CD1 3.75Å; Y39-F399 HydrophobicContact CD2-CE1 4.43Å; Y39-F399 HydrophobicContact CD2-CG 4.43Å; Y39-F399 HydrophobicContact CE1-CD1 4.09Å; Y39-F399 HydrophobicContact CE2-CB 4.34Å; Y39-F399 HydrophobicContact CE2-CD1 4.09Å; Y39-F399 AromaticContact CG-CD1 3.57Å; Y39-F399 HydrophobicContact CG-CD1 3.57Å; Y39-F399 AromaticContact CG-CE1 3.83Å; Y39-F399 HydrophobicContact CG-CE1 3.83Å; Y39-T403 VanDerWaalsContact CE2-OG1 3.26Å; Y39-T403 WeakPolarHBondContact CE2-OG1 3.46Å; Y39-T403 PolarHBondContact OH-N 3.47Å; Y39-T403 PolarHBondContact OH-OG1 3.19Å
40I77.9Confident71Confident138 Ų13876 Ų7671%0.70842%0.421SS*.Hα-helixtrans-68-45.2-177.1-67.8164.4000111.4S36 T37 G42S36-I40 WeakPolarHBondContact O-CB 3.4Å; S36-I40 WeakPolarHBondContact O-CD1 3.28Å; S36-I40 WeakPolarHBondContact O-CG1 3.41Å; S36-I40 PolarHBondContact O-N 2.9Å; T37-I40 PolarHBondContact O-N 3.06Å; I40-G42 PolarHBondContact O-N 3Å
41M74.8Confident69.6Low111 Ų11178.3 Ų78.355%0.54742%0.422SS..Hα-helixtrans-70.3-16.3177.4-63.6-170.17900111.8T37 Y43T37-M41 HydrophobicContact CG2-CG 3.96Å; T37-M41 HydrophobicContact CG2-SD 3.55Å; T37-M41 VanDerWaalsContact CG2-SD 3.55Å; T37-M41 VanDerWaalsContact O-CB 3.26Å; T37-M41 WeakPolarHBondContact O-CB 3.42Å; T37-M41 VanDerWaalsContact O-CG 3.3Å; T37-M41 WeakPolarHBondContact O-CG 3.27Å; T37-M41 PolarHBondContact O-N 3.24Å; M41-Y43 HydrophobicContact CB-CD2 3.73Å; M41-Y43 HydrophobicContact CB-CE2 3.74Å; M41-Y43 HydrophobicContact CE-CE2 3.81Å; M41-Y43 HydrophobicContact CG-CE2 4.33Å; M41-Y43 PolarHBondContact O-N 2.97Å; M41-Y43 HydrophobicContact SD-CE2 3.68Å
42G66.9Low67.9Low34 Ų3478.1 Ų78.135%0.35142%0.419SS..THydrogen-bonded Turntrans60.231.7172.500000113.5A38 Y39 I40 Q44A38-G42 PolarHBondContact O-N 3.33Å; Y39-G42 PolarHBondContact O-N 3.29Å; I40-G42 PolarHBondContact O-N 3Å; G42-Q44 WeakPolarHBondContact O-CG 3.42Å; G42-Q44 PolarHBondContact O-N 3.23Å
43Y63.2Low66.2Low139 Ų13980.3 Ų80.355%0.54543%0.431SS..  trans-53.6122.1-177.2-86.4-75.2000111.1M41 G56 L57M41-Y43 HydrophobicContact CB-CD2 3.73Å; M41-Y43 HydrophobicContact CB-CE2 3.74Å; M41-Y43 HydrophobicContact CE-CE2 3.81Å; M41-Y43 HydrophobicContact CG-CE2 4.33Å; M41-Y43 PolarHBondContact O-N 2.97Å; M41-Y43 HydrophobicContact SD-CE2 3.68Å; Y43-G56 CarbonylContact O-C 3.56Å; Y43-G56 WeakPolarHBondContact O-CA 3.48Å; Y43-L57 PolarHBondContact O-N 3.23Å
44Q62.4Low64.9Low93 Ų9378.7 Ų78.744%0.43542%0.423SS..EExtended strand (participates in β ladder)trans-107.6121-177.1-49.4-173.4-12.500108.6G42 T47G42-Q44 WeakPolarHBondContact O-CG 3.42Å; G42-Q44 PolarHBondContact O-N 3.23Å; Q44-T47 HydrophobicContact CB-CG2 3.66Å; Q44-T47 HydrophobicContact CG-CG2 4.37Å
45F53.8Low63.6Low121 Ų12180.6 Ų80.653%0.53142%0.42SS..EExtended strand (participates in β ladder)trans-78.3-34.9178.4-81.3-69.7000112.6F55 L57 A60F45-F55 PolarHBondContact N-O 2.94Å; F45-L57 HydrophobicContact CD2-CB 4.3Å; F45-L57 HydrophobicContact CE2-CB 3.83Å; F45-L57 HydrophobicContact CE2-CD1 3.37Å; F45-L57 HydrophobicContact CE2-CG 4.18Å; F45-L57 HydrophobicContact CZ-CD1 3.58Å; F45-A60 HydrophobicContact CD2-CB 4.32Å; F45-A60 HydrophobicContact CE2-CB 4Å
46F55Low62.8Low156 Ų15681.4 Ų81.468%0.68443%0.431SS*.EExtended strand (participates in β ladder)trans-134.5123.5178.5-71.9-82000108.7S54 F55F46-S54 WeakPolarHBondContact O-CA 3.49Å; F46-F55 HydrophobicContact CB-CB 4.48Å; F46-F55 PolarHBondContact O-N 3.46Å; F46-F55 VanDerWaalsContact O-N 3.12Å
47T49.6Very low62.1Low74 Ų7482.2 Ų82.245%0.45443%0.432SS..EExtended strand (participates in β ladder)trans-121.9125.7168.956.60000108.1Q44Q44-T47 HydrophobicContact CB-CG2 3.66Å; Q44-T47 HydrophobicContact CG-CG2 4.37Å
48T55.9Low61.5Low74 Ų7480.8 Ų80.845%0.45442%0.421SS..  trans-70.2153.8168.3-27.20000109H50 H51 L53T48-H50 PolarHBondContact O-N 2.96Å; T48-H51 PolarHBondContact O-N 3.47Å; T48-L53 PolarHBondContact N-O 3.38Å; T48-L53 WeakPolarHBondContact OG1-CB 3.36Å
49A45.2Very low61.1Low95 Ų9581.4 Ų81.479%0.78543%0.427SS*.THydrogen-bonded Turntrans-51.9-18.2-17400000115.9
50H52.2Low60.9Low129 Ų12980.2 Ų80.260%0.59743%0.428SS*.THydrogen-bonded Turntrans-116.115.8177.6-64-65.5000114.1T48 Y52T48-H50 PolarHBondContact O-N 2.96Å; H50-Y52 HydrophobicContact CB-CD2 3.36Å; H50-Y52 HydrophobicContact CB-CE2 3.1Å; H50-Y52 HydrophobicContact CB-CG 4.18Å; H50-Y52 AromaticContact CD2-CE2 3.88Å; H50-Y52 AromaticContact CG-CE2 3.68Å; H50-Y52 PolarHBondContact O-N 2.63Å
51H57.3Low60.9Low124 Ų12475.7 Ų75.757%0.57441%0.405SS*.SBendtrans58.122-175.8-67.167.2000114.9T48 L53T48-H51 PolarHBondContact O-N 3.47Å; H51-L53 VanDerWaalsContact C-N 3.3Å; H51-L53 PolarHBondContact O-N 2.86Å
52Y51.4Low61Low33 Ų3372.1 Ų72.113%0.12939%0.387CS..SBendtrans-70.7-23.3179-67.1-52.3000114H50 W414 L418 S517 E518H50-Y52 HydrophobicContact CB-CD2 3.36Å; H50-Y52 HydrophobicContact CB-CE2 3.1Å; H50-Y52 HydrophobicContact CB-CG 4.18Å; H50-Y52 AromaticContact CD2-CE2 3.88Å; H50-Y52 AromaticContact CG-CE2 3.68Å; H50-Y52 PolarHBondContact O-N 2.63Å; Y52-W414 AromaticContact CD1-CD1 3.95Å; Y52-W414 AromaticContact CD1-NE1 3.88Å; Y52-W414 PolarHBondContact O-NE1 3.35Å; Y52-L418 VanDerWaalsContact O-CD2 3.29Å; Y52-L418 WeakPolarHBondContact O-CD2 3.42Å; Y52-S517 PolarHBondContact OH-OG 2.96Å; Y52-E518 HydrophobicContact CE1-CG 3.94Å; Y52-E518 WeakPolarHBondContact OH-CG 3.39Å
53L50.7Low61.6Low89 Ų8973.3 Ų73.347%0.46639%0.388SS..  trans-139.9117.4176.1-155.2135.7000108.4T48 H51 L418T48-L53 PolarHBondContact N-O 3.38Å; T48-L53 WeakPolarHBondContact OG1-CB 3.36Å; H51-L53 VanDerWaalsContact C-N 3.3Å; H51-L53 PolarHBondContact O-N 2.86Å; L53-L418 HydrophobicContact CD1-CD1 4.27Å; L53-L418 HydrophobicContact CG-CD1 4.46Å
54S58.3Low62.5Low45 Ų4570.3 Ų70.332%0.31538%0.384SS..EExtended strand (participates in β ladder)trans-118.8115.2173.960.60000110F46F46-S54 WeakPolarHBondContact O-CA 3.49Å
55F57.4Low63.7Low80 Ų8066.5 Ų66.535%0.35137%0.366SS..EExtended strand (participates in β ladder)trans-92.7101.8173.3-163.7-103.2000109.3F45 F46 A60 V63F45-F55 PolarHBondContact N-O 2.94Å; F46-F55 HydrophobicContact CB-CB 4.48Å; F46-F55 PolarHBondContact O-N 3.46Å; F46-F55 VanDerWaalsContact O-N 3.12Å; F55-A60 HydrophobicContact CE1-CB 3.76Å; F55-V63 HydrophobicContact CZ-CG2 4.38Å
56G64.9Low65.1Low27 Ų2762.6 Ų62.628%0.27835%0.35SS..EExtended strand (participates in β ladder)trans-73.8150-179.400000113.1Y43 Y58 G59 A60Y43-G56 CarbonylContact O-C 3.56Å; Y43-G56 WeakPolarHBondContact O-CA 3.48Å; G56-Y58 PolarHBondContact O-N 3.21Å; G56-Y58 VanDerWaalsContact O-N 3.16Å; G56-G59 WeakPolarHBondContact O-CA 3.38Å; G56-G59 PolarHBondContact O-N 3.05Å; G56-A60 PolarHBondContact O-N 3.32Å
57L68.1Low66.5Low47 Ų4760.2 Ų60.225%0.24634%0.344CS..Hα-helixtrans-52.3-34.9174171.561.3000112.8A38 Y43 F45 G59 A60 I61A38-L57 HydrophobicContact CB-CD2 3.5Å; A38-L57 VanDerWaalsContact CB-CD2 3.5Å; A38-L57 HydrophobicContact CB-CG 3.89Å; Y43-L57 PolarHBondContact O-N 3.23Å; F45-L57 HydrophobicContact CD2-CB 4.3Å; F45-L57 HydrophobicContact CE2-CB 3.83Å; F45-L57 HydrophobicContact CE2-CD1 3.37Å; F45-L57 HydrophobicContact CE2-CG 4.18Å; F45-L57 HydrophobicContact CZ-CD1 3.58Å; L57-G59 PolarHBondContact O-N 3.35Å; L57-A60 WeakPolarHBondContact O-CB 3.41Å; L57-A60 PolarHBondContact O-N 3.13Å; L57-I61 HydrophobicContact CD1-CD1 4.37Å; L57-I61 HydrophobicContact CG-CD1 4.26Å; L57-I61 WeakPolarHBondContact O-CG1 3.2Å; L57-I61 PolarHBondContact O-N 3.08Å; L57-I61 VanDerWaalsContact O-N 3.08Å
58Y70.2Confident68.4Low31 Ų3159.4 Ų59.412%0.12234%0.336CS..Hα-helixtrans-60.4-42.7173.2-177.6-106.4000113.1I35 G56 A60 I61 L62 F396 F399I35-Y58 HydrophobicContact CG2-CD2 3.97Å; I35-Y58 HydrophobicContact CG2-CE2 3.86Å; G56-Y58 PolarHBondContact O-N 3.21Å; G56-Y58 VanDerWaalsContact O-N 3.16Å; Y58-A60 VanDerWaalsContact C-N 3.33Å; Y58-A60 PolarHBondContact O-N 3.29Å; Y58-I61 PolarHBondContact O-N 3.46Å; Y58-L62 HydrophobicContact CD1-CD1 3.89Å; Y58-L62 HydrophobicContact CE1-CD1 3.48Å; Y58-L62 VanDerWaalsContact CE1-CD1 3.48Å; Y58-L62 HydrophobicContact CE1-CG 4.26Å; Y58-L62 WeakPolarHBondContact O-CG 3.35Å; Y58-L62 PolarHBondContact O-N 3.3Å; Y58-L62 VanDerWaalsContact O-N 3.13Å; Y58-F396 WeakPolarHBondContact OH-CD2 3.49Å; Y58-F399 HydrophobicContact CE1-CB 4.46Å; Y58-F399 HydrophobicContact CE2-CB 4.37Å; Y58-F399 HydrophobicContact CE2-CD2 4.08Å; Y58-F399 HydrophobicContact CE2-CG 4.22Å; Y58-F399 WeakPolarHBondContact OH-CB 3.21Å
59G70.3Confident70Confident21 Ų2156.2 Ų56.222%0.21632%0.316CS..Hα-helixtrans-63.1-39.5176.600000112.1G56 L57 L62 V63G56-G59 WeakPolarHBondContact O-CA 3.38Å; G56-G59 PolarHBondContact O-N 3.05Å; L57-G59 PolarHBondContact O-N 3.35Å; G59-L62 PolarHBondContact O-N 3.29Å; G59-V63 WeakPolarHBondContact O-CG2 3.35Å; G59-V63 PolarHBondContact O-N 3.49Å
60A73.6Confident72Confident23 Ų2352.3 Ų52.319%0.1928%0.283CS..Hα-helixtrans-61.1-45.7174.600000111.8F45 F55 G56 L57 Y58 L62 V63 V64F45-A60 HydrophobicContact CD2-CB 4.32Å; F45-A60 HydrophobicContact CE2-CB 4Å; F55-A60 HydrophobicContact CE1-CB 3.76Å; G56-A60 PolarHBondContact O-N 3.32Å; L57-A60 WeakPolarHBondContact O-CB 3.41Å; L57-A60 PolarHBondContact O-N 3.13Å; Y58-A60 VanDerWaalsContact C-N 3.33Å; Y58-A60 PolarHBondContact O-N 3.29Å; A60-L62 VanDerWaalsContact C-N 3.28Å; A60-L62 PolarHBondContact O-N 2.91Å; A60-V63 PolarHBondContact O-N 3.16Å; A60-V64 WeakPolarHBondContact O-CG2 3.34Å; A60-V64 PolarHBondContact O-N 3.21Å
61I77.8Confident73.7Confident44 Ų4450.8 Ų50.823%0.22628%0.278CS..Hα-helixtrans-59.1-40.7178.1-67.9165.5000111I35 L57 Y58 V64 H65I35-I61 HydrophobicContact CG1-CD1 4.49Å; L57-I61 HydrophobicContact CD1-CD1 4.37Å; L57-I61 HydrophobicContact CG-CD1 4.26Å; L57-I61 WeakPolarHBondContact O-CG1 3.2Å; L57-I61 PolarHBondContact O-N 3.08Å; L57-I61 VanDerWaalsContact O-N 3.08Å; Y58-I61 PolarHBondContact O-N 3.46Å; I61-V64 PolarHBondContact O-N 3.3Å; I61-H65 WeakPolarHBondContact O-CB 3.34Å; I61-H65 PolarHBondContact O-N 3.23Å
62L77.4Confident75.3Confident36 Ų3647.1 Ų47.119%0.18826%0.261CS..Hα-helixtrans-68.1-40.1177.7-67171.9000112.9Y58 G59 A60 V64 H65 L66 F396Y58-L62 HydrophobicContact CD1-CD1 3.89Å; Y58-L62 HydrophobicContact CE1-CD1 3.48Å; Y58-L62 VanDerWaalsContact CE1-CD1 3.48Å; Y58-L62 HydrophobicContact CE1-CG 4.26Å; Y58-L62 WeakPolarHBondContact O-CG 3.35Å; Y58-L62 PolarHBondContact O-N 3.3Å; Y58-L62 VanDerWaalsContact O-N 3.13Å; G59-L62 PolarHBondContact O-N 3.29Å; A60-L62 VanDerWaalsContact C-N 3.28Å; A60-L62 PolarHBondContact O-N 2.91Å; L62-V64 VanDerWaalsContact C-N 3.35Å; L62-H65 WeakPolarHBondContact O-CB 3.19Å; L62-H65 PolarHBondContact O-N 3.45Å; L62-L66 VanDerWaalsContact O-CG 3.3Å; L62-L66 WeakPolarHBondContact O-CG 3.24Å; L62-L66 PolarHBondContact O-N 2.82Å; L62-F396 HydrophobicContact CD1-CD2 4.24Å; L62-F396 HydrophobicContact CD1-CE2 3.61Å; L62-F396 HydrophobicContact CD2-CD2 3.64Å; L62-F396 HydrophobicContact CD2-CE2 3.66Å; L62-F396 HydrophobicContact CG-CE2 4.29Å
63V77.9Confident77.1Confident59 Ų5945.6 Ų45.636%0.35826%0.255SS..Hα-helixtrans-63-45.3175.3171.90000110.1F55 G59 A60 H65 L66 I67F55-V63 HydrophobicContact CZ-CG2 4.38Å; G59-V63 WeakPolarHBondContact O-CG2 3.35Å; G59-V63 PolarHBondContact O-N 3.49Å; A60-V63 PolarHBondContact O-N 3.16Å; V63-H65 PolarHBondContact O-N 3.21Å; V63-L66 PolarHBondContact O-N 2.76Å; V63-I67 HydrophobicContact CG1-CD1 3.86Å; V63-I67 WeakPolarHBondContact O-CG1 3.37Å; V63-I67 PolarHBondContact O-N 3.09Å
64V83.5Confident78.9Confident75 Ų7544.5 Ų44.546%0.45525%0.249SC..Hα-helixtrans-60.4-45175.4171.60000111A60 I61 L62 L66 I67 I68A60-V64 WeakPolarHBondContact O-CG2 3.34Å; A60-V64 PolarHBondContact O-N 3.21Å; I61-V64 PolarHBondContact O-N 3.3Å; L62-V64 VanDerWaalsContact C-N 3.35Å; V64-L66 VanDerWaalsContact C-N 3.32Å; V64-L66 PolarHBondContact O-N 3Å; V64-I67 PolarHBondContact O-N 2.97Å; V64-I68 HydrophobicContact CG1-CD1 3.56Å; V64-I68 HydrophobicContact CG1-CG1 4.21Å; V64-I68 WeakPolarHBondContact O-CB 3.41Å; V64-I68 VanDerWaalsContact O-CG1 3.28Å; V64-I68 WeakPolarHBondContact O-CG1 3.33Å; V64-I68 PolarHBondContact O-N 3.43Å
65H86.7Confident80.4Confident13 Ų1345.2 Ų45.26%0.0625%0.25CC..Hα-helixtrans-54.2-48.2174.7176.777.4000111.8I61 L62 V63 I68 Q69 Y388I61-H65 WeakPolarHBondContact O-CB 3.34Å; I61-H65 PolarHBondContact O-N 3.23Å; L62-H65 WeakPolarHBondContact O-CB 3.19Å; L62-H65 PolarHBondContact O-N 3.45Å; V63-H65 PolarHBondContact O-N 3.21Å; H65-I68 PolarHBondContact O-N 2.99Å; H65-Q69 VanDerWaalsContact O-CB 3.23Å; H65-Q69 WeakPolarHBondContact O-CB 3.13Å; H65-Q69 PolarHBondContact O-N 3.47Å; H65-Y388 WeakPolarHBondContact CB-OH 3.34Å; H65-Y388 AromaticContact CE1-CE1 3.81Å; H65-Y388 AromaticContact ND1-CE1 3.21Å; H65-Y388 WeakPolarHBondContact ND1-CE1 3.48Å; H65-Y388 AromaticContact ND1-CZ 3.47Å; H65-Y388 PolarHBondContact ND1-OH 2.92Å
66L83.4Confident81.9Confident39 Ų3942.3 Ų42.320%0.20424%0.237CC..Hα-helixtrans-64.5-40.4179.8-71172000112.4L62 V63 V64 S70 V426 K430L62-L66 VanDerWaalsContact O-CG 3.3Å; L62-L66 WeakPolarHBondContact O-CG 3.24Å; L62-L66 PolarHBondContact O-N 2.82Å; V63-L66 PolarHBondContact O-N 2.76Å; V64-L66 VanDerWaalsContact C-N 3.32Å; V64-L66 PolarHBondContact O-N 3Å; L66-S70 WeakPolarHBondContact O-CB 3.38Å; L66-S70 PolarHBondContact O-N 3.16Å; L66-S70 PolarHBondContact O-OG 2.93Å; L66-V426 HydrophobicContact CD1-CG1 4.22Å; L66-K430 HydrophobicContact CD2-CD 4.17Å
67I84.8Confident83Confident107 Ų10742.2 Ų42.255%0.54923%0.229SC..Hα-helixtrans-64.4-49.2177.3-68.5167.3000110.1V63 V64 S70 L71V63-I67 HydrophobicContact CG1-CD1 3.86Å; V63-I67 WeakPolarHBondContact O-CG1 3.37Å; V63-I67 PolarHBondContact O-N 3.09Å; V64-I67 PolarHBondContact O-N 2.97Å; I67-S70 PolarHBondContact O-N 3.06Å; I67-L71 WeakPolarHBondContact O-CB 3.29Å; I67-L71 PolarHBondContact O-N 3.27Å
68I89.1Confident83.9Confident57 Ų5747.5 Ų47.529%0.29225%0.246SC..Hα-helixtrans-61.5-48.4-179.8-67.6173000110.5V64 H65 S70 L71 F72 W385V64-I68 HydrophobicContact CG1-CD1 3.56Å; V64-I68 HydrophobicContact CG1-CG1 4.21Å; V64-I68 WeakPolarHBondContact O-CB 3.41Å; V64-I68 VanDerWaalsContact O-CG1 3.28Å; V64-I68 WeakPolarHBondContact O-CG1 3.33Å; V64-I68 PolarHBondContact O-N 3.43Å; H65-I68 PolarHBondContact O-N 2.99Å; I68-S70 VanDerWaalsContact C-N 3.26Å; I68-S70 PolarHBondContact O-N 2.86Å; I68-L71 PolarHBondContact O-N 2.94Å; I68-F72 HydrophobicContact CG2-CD2 3.57Å; I68-F72 HydrophobicContact CG2-CE2 3.5Å; I68-F72 VanDerWaalsContact CG2-CE2 3.5Å; I68-F72 VanDerWaalsContact O-CD2 3.28Å; I68-F72 WeakPolarHBondContact O-CD2 3.37Å; I68-F72 PolarHBondContact O-N 3.4Å; I68-W385 HydrophobicContact CB-CH2 4.37Å; I68-W385 HydrophobicContact CB-CZ3 4.5Å; I68-W385 HydrophobicContact CG2-CH2 3.66Å; I68-W385 HydrophobicContact CG2-CZ3 3.5Å
69Q89.4Confident84.6Confident6 Ų649.2 Ų49.23%0.02826%0.257CS..Hα-helixtrans-59-41.2179-171.2178.638.400111.5H65 A73 I276 C280 W385H65-Q69 VanDerWaalsContact O-CB 3.23Å; H65-Q69 WeakPolarHBondContact O-CB 3.13Å; H65-Q69 PolarHBondContact O-N 3.47Å; Q69-A73 WeakPolarHBondContact O-CB 3.48Å; Q69-A73 PolarHBondContact O-N 3.17Å; Q69-I276 HydrophobicContact CG-CG2 4.21Å; Q69-C280 HydrophobicContact CG-CB 3.81Å; Q69-C280 WeakPolarHBondContact O-CB 3.31Å; Q69-W385 HydrophobicContact CB-CH2 4.48Å; Q69-W385 HydrophobicContact CB-CZ2 4.34Å; Q69-W385 HydrophobicContact CG-CZ2 4.48Å
70S86.7Confident85.4Confident14 Ų1449.1 Ų49.110%0.09825%0.251CS..Hα-helixtrans-69.5-39.1178.9-640000113.1L66 I67 I68 L74 F433L66-S70 WeakPolarHBondContact O-CB 3.38Å; L66-S70 PolarHBondContact O-N 3.16Å; L66-S70 PolarHBondContact O-OG 2.93Å; I67-S70 PolarHBondContact O-N 3.06Å; I68-S70 VanDerWaalsContact C-N 3.26Å; I68-S70 PolarHBondContact O-N 2.86Å; S70-L74 WeakPolarHBondContact O-CB 3.45Å; S70-L74 WeakPolarHBondContact O-CG 3.48Å; S70-L74 PolarHBondContact O-N 3.42Å; S70-F433 VanDerWaalsContact CB-CZ 3.5Å; S70-F433 WeakPolarHBondContact OG-CE1 3.47Å
71L89.1Confident85.8Confident96 Ų9656 Ų5650%0.50327%0.272SS..Hα-helixtrans-63.4-48.1177.2-177.174.1000111.1I67 I68 L74 L75I67-L71 WeakPolarHBondContact O-CB 3.29Å; I67-L71 PolarHBondContact O-N 3.27Å; I68-L71 PolarHBondContact O-N 2.94Å; L71-L74 WeakPolarHBondContact O-CB 3.22Å; L71-L74 PolarHBondContact O-N 2.88Å; L71-L75 WeakPolarHBondContact O-CG 3.26Å; L71-L75 PolarHBondContact O-N 2.96Å
72F91.1Very high85.8Confident48 Ų4862 Ų6221%0.21129%0.292CS..Hα-helixtrans-69.1-34.8179.2-74.8-62.5000112.5I68 L74 L75 E76 Y283 F284I68-F72 HydrophobicContact CG2-CD2 3.57Å; I68-F72 HydrophobicContact CG2-CE2 3.5Å; I68-F72 VanDerWaalsContact CG2-CE2 3.5Å; I68-F72 VanDerWaalsContact O-CD2 3.28Å; I68-F72 WeakPolarHBondContact O-CD2 3.37Å; I68-F72 PolarHBondContact O-N 3.4Å; F72-L74 VanDerWaalsContact C-N 3.33Å; F72-L74 PolarHBondContact O-N 3.16Å; F72-L75 HydrophobicContact CD1-CD1 3.94Å; F72-L75 HydrophobicContact CE1-CD1 4.24Å; F72-L75 PolarHBondContact O-N 3.21Å; F72-E76 PolarHBondContact O-N 3.18Å; F72-Y283 HydrophobicContact CB-CD1 4.44Å; F72-Y283 HydrophobicContact CB-CG 4.49Å; F72-Y283 AromaticContact CD1-CD1 3.48Å; F72-Y283 HydrophobicContact CD1-CD1 3.48Å; F72-Y283 VanDerWaalsContact CD1-CD1 3.48Å; F72-Y283 AromaticContact CD1-CE1 3.43Å; F72-Y283 HydrophobicContact CD1-CE1 3.43Å; F72-Y283 VanDerWaalsContact CD1-CE1 3.43Å; F72-Y283 HydrophobicContact CD1-CG 4.13Å; F72-Y283 HydrophobicContact CE1-CD1 4.06Å; F72-Y283 AromaticContact CE1-CE1 3.6Å; F72-Y283 HydrophobicContact CE1-CE1 3.6Å; F72-Y283 HydrophobicContact CG-CD1 4.23Å; F72-F284 HydrophobicContact CB-CE2 4.28Å; F72-F284 HydrophobicContact CD1-CE2 4.32Å; F72-F284 AromaticContact CD1-CZ 3.98Å; F72-F284 HydrophobicContact CD1-CZ 3.98Å; F72-F284 AromaticContact CD2-CE2 3.83Å; F72-F284 HydrophobicContact CD2-CE2 3.83Å; F72-F284 AromaticContact CD2-CZ 3.75Å; F72-F284 HydrophobicContact CD2-CZ 3.75Å; F72-F284 AromaticContact CE1-CZ 3.93Å; F72-F284 HydrophobicContact CE1-CZ 3.93Å; F72-F284 HydrophobicContact CE2-CE2 4.22Å; F72-F284 AromaticContact CE2-CZ 3.67Å; F72-F284 HydrophobicContact CE2-CZ 3.67Å; F72-F284 AromaticContact CG-CE2 3.89Å; F72-F284 HydrophobicContact CG-CE2 3.89Å; F72-F284 AromaticContact CG-CZ 3.91Å; F72-F284 HydrophobicContact CG-CZ 3.91Å; F72-F284 AromaticContact CZ-CZ 3.79Å; F72-F284 HydrophobicContact CZ-CZ 3.79Å
73A88.5Confident85.5Confident1 Ų161 Ų611%0.00829%0.288CS..Hα-helixtrans-59.9-43.6170.100000112Q69 E76 H77 I276 A279 C280Q69-A73 WeakPolarHBondContact O-CB 3.48Å; Q69-A73 PolarHBondContact O-N 3.17Å; A73-E76 PolarHBondContact O-N 2.89Å; A73-H77 PolarHBondContact O-CD2 3.07Å; A73-H77 PolarHBondContact O-N 3.03Å; A73-I276 HydrophobicContact CB-CG2 4.29Å; A73-A279 HydrophobicContact CB-CB 3.98Å; A73-C280 HydrophobicContact CB-CB 4.37Å
74L87.9Confident84.6Confident65 Ų6562.9 Ų62.934%0.3430%0.296SS..Hα-helixtrans-60.8-44.8175.6-87.3169.6000112.5S70 L71 F72 E76 H77 R78 F433 L437S70-L74 WeakPolarHBondContact O-CB 3.45Å; S70-L74 WeakPolarHBondContact O-CG 3.48Å; S70-L74 PolarHBondContact O-N 3.42Å; L71-L74 WeakPolarHBondContact O-CB 3.22Å; L71-L74 PolarHBondContact O-N 2.88Å; F72-L74 VanDerWaalsContact C-N 3.33Å; F72-L74 PolarHBondContact O-N 3.16Å; L74-E76 VanDerWaalsContact C-N 3.33Å; L74-H77 PolarHBondContact O-N 3.33Å; L74-R78 WeakPolarHBondContact O-CB 3.43Å; L74-R78 PolarHBondContact O-N 3.23Å; L74-F433 HydrophobicContact CD1-CZ 3.98Å; L74-L437 HydrophobicContact CD2-CD1 3.3Å; L74-L437 HydrophobicContact CG-CD1 4.17Å
75L89.8Confident83.6Confident61 Ų6167.3 Ų67.332%0.31931%0.312SS..Hα-helixtrans-61.1-43.5176.8-70.6174.3000111.1L71 F72 R78 N79 Y283L71-L75 WeakPolarHBondContact O-CG 3.26Å; L71-L75 PolarHBondContact O-N 2.96Å; F72-L75 HydrophobicContact CD1-CD1 3.94Å; F72-L75 HydrophobicContact CE1-CD1 4.24Å; F72-L75 PolarHBondContact O-N 3.21Å; L75-R78 CarbonylContact O-C 3.53Å; L75-R78 WeakPolarHBondContact O-CA 3.39Å; L75-R78 VanDerWaalsContact O-CB 3.31Å; L75-R78 WeakPolarHBondContact O-CB 3.07Å; L75-R78 PolarHBondContact O-N 3.16Å; L75-R78 VanDerWaalsContact O-N 3.11Å; L75-N79 PolarHBondContact O-N 3.45Å; L75-Y283 HydrophobicContact CB-CD2 4.19Å; L75-Y283 HydrophobicContact CB-CE2 3.91Å; L75-Y283 HydrophobicContact CD1-CE2 4.44Å
76E89.9Confident82.5Confident18 Ų1870 Ų708%0.08433%0.329CS..Hα-helixtrans-63.4-46.1177.2-173.270.816700112F72 A73 L74 R78 N79 M80 S282 Y283F72-E76 PolarHBondContact O-N 3.18Å; A73-E76 PolarHBondContact O-N 2.89Å; L74-E76 VanDerWaalsContact C-N 3.33Å; E76-R78 PolarHBondContact O-N 3.47Å; E76-R78 VanDerWaalsContact O-N 3.14Å; E76-N79 WeakPolarHBondContact O-CB 3.38Å; E76-N79 PolarHBondContact O-N 2.84Å; E76-M80 HydrophobicContact CG-CE 3.42Å; E76-M80 VanDerWaalsContact CG-CE 3.42Å; E76-M80 HydrophobicContact CG-CG 4.44Å; E76-M80 WeakPolarHBondContact O-CG 3.19Å; E76-M80 PolarHBondContact O-N 3.4Å; E76-S282 WeakPolarHBondContact OE1-CB 3.16Å; E76-S282 PolarHBondContact OE1-OG 2.87Å; E76-Y283 HydrophobicContact CB-CD2 4.32Å; E76-Y283 WeakPolarHBondContact OE2-CA 3.49Å
77H87.4Confident81.6Confident26 Ų2674.4 Ų74.412%0.1236%0.36CS..Hα-helixtrans-59.3-27.5174.4-82-65.8000113.1A73 L74 R81 N275 A342A73-H77 PolarHBondContact O-CD2 3.07Å; A73-H77 PolarHBondContact O-N 3.03Å; L74-H77 PolarHBondContact O-N 3.33Å; H77-R81 PolarHBondContact O-N 2.89Å; H77-R81 PolarHBondContact O-NE 3.48Å; H77-N275 PolarHBondContact CE1-OD1 3.32Å; H77-N275 PolarHBondContact NE2-O 3.01Å; H77-A342 VanDerWaalsContact CE1-CB 3.49Å; H77-A342 WeakPolarHBondContact CE1-CB 3.39Å
78R86.8Confident80.8Confident158 Ų15871.3 Ų71.360%0.59634%0.344SS*.Hα-helixtrans-77.1-40175.2-142.3173.5172.7169.2-3.2111.1L74 L75 E76 R81 R82L74-R78 WeakPolarHBondContact O-CB 3.43Å; L74-R78 PolarHBondContact O-N 3.23Å; L75-R78 CarbonylContact O-C 3.53Å; L75-R78 WeakPolarHBondContact O-CA 3.39Å; L75-R78 VanDerWaalsContact O-CB 3.31Å; L75-R78 WeakPolarHBondContact O-CB 3.07Å; L75-R78 PolarHBondContact O-N 3.16Å; L75-R78 VanDerWaalsContact O-N 3.11Å; E76-R78 PolarHBondContact O-N 3.47Å; E76-R78 VanDerWaalsContact O-N 3.14Å; R78-R81 PolarHBondContact O-N 3.12Å; R78-R82 PolarHBondContact O-N 3.37Å; R78-R82 VanDerWaalsContact O-N 3.16Å
79N86.1Confident80Confident67 Ų6777.3 Ų77.336%0.35837%0.368SS..Hα-helixtrans-63.6-45.9173.5-72.6-12.4000111.7L75 E76 R81 R82 S83L75-N79 PolarHBondContact O-N 3.45Å; E76-N79 WeakPolarHBondContact O-CB 3.38Å; E76-N79 PolarHBondContact O-N 2.84Å; N79-R81 PolarHBondContact O-N 3.4Å; N79-R82 PolarHBondContact O-N 3.34Å; N79-S83 PolarHBondContact O-N 3.24Å
80M85.5Confident79.4Confident18 Ų1879.8 Ų79.89%0.08938%0.381CS..Hα-helixtrans-58.1-35175.9-67.2-178.1-165.300112.5E76 Y340 A342 R343E76-M80 HydrophobicContact CG-CE 3.42Å; E76-M80 VanDerWaalsContact CG-CE 3.42Å; E76-M80 HydrophobicContact CG-CG 4.44Å; E76-M80 WeakPolarHBondContact O-CG 3.19Å; E76-M80 PolarHBondContact O-N 3.4Å; M80-Y340 HydrophobicContact CE-CD1 3.77Å; M80-Y340 HydrophobicContact CE-CE1 4.15Å; M80-Y340 WeakPolarHBondContact CE-O 3.49Å; M80-A342 HydrophobicContact SD-CB 4Å; M80-A342 PolarHBondContact SD-N 3.18Å; M80-A342 VanDerWaalsContact SD-N 3.39Å; M80-R343 PolarHBondContact O-NH2 3.4Å
81R82.1Confident78.9Confident168 Ų16883.7 Ų83.763%0.63441%0.408SS*.Hα-helixtrans-71.6-31.3175-86.3-174.6-94.5-167.9-8.9113.2H77 R78 N79 L84H77-R81 PolarHBondContact O-N 2.89Å; H77-R81 PolarHBondContact O-NE 3.48Å; R78-R81 PolarHBondContact O-N 3.12Å; N79-R81 PolarHBondContact O-N 3.4Å; R81-L84 WeakPolarHBondContact O-CB 3.28Å
82R78.6Confident78.8Confident170 Ų17082.7 Ų82.764%0.64240%0.4SS*.Hα-helixtrans-76.2-38.7176.2-73.3176.5172.2173.8-5.1112.4R78 N79 L84 E85R78-R82 PolarHBondContact O-N 3.37Å; R78-R82 VanDerWaalsContact O-N 3.16Å; N79-R82 PolarHBondContact O-N 3.34Å; R82-L84 PolarHBondContact O-N 2.87Å; R82-E85 PolarHBondContact O-N 3.39Å
83S70.2Confident78.7Confident15 Ų1582.6 Ų82.611%0.10541%0.405CS..THydrogen-bonded Turntrans-67.912.8173.5-175.20000113N79 T86 E241 R343N79-S83 PolarHBondContact O-N 3.24Å; S83-T86 PolarHBondContact O-OG1 3.38Å; S83-E241 PolarHBondContact OG-OE2 3.04Å; S83-R343 PolarHBondContact O-NH2 3.4Å; S83-R343 VanDerWaalsContact O-NH2 3.12Å
84L61Low78.9Confident98 Ų9882.7 Ų82.751%0.51341%0.405SS..THydrogen-bonded Turntrans-83.6-22.1175.7-155.2133.6000112.1R81 R82R81-L84 WeakPolarHBondContact O-CB 3.28Å; R82-L84 PolarHBondContact O-N 2.87Å
85E61.4Low79.1Confident169 Ų16979.6 Ų79.679%0.7939%0.389SS*.SBendtrans-92-6.5-171.5-64.6176.7-178.300113.7R82 P87R82-E85 PolarHBondContact O-N 3.39Å; E85-P87 WeakPolarHBondContact O-CD 3.48Å
86T63.6Low79.2Confident70 Ų7076.7 Ų76.743%0.42937%0.374SS..  trans-85.7110.7179.6390000111S83 I88S83-T86 PolarHBondContact O-OG1 3.38Å; T86-I88 PolarHBondContact O-N 3.46Å
87P64.2Low79.3Confident130 Ų13076.1 Ų76.184%0.84437%0.372SS*.  trans-71.9115.1174.728.8-32.5000109.5E85E85-P87 WeakPolarHBondContact O-CD 3.48Å
88I68.4Low79.5Confident43 Ų4375 Ų7522%0.22137%0.367CS..  trans-105.3131.6177.3-65.3171.9000109.2T86 L90 K237 E240T86-I88 PolarHBondContact O-N 3.46Å; I88-L90 PolarHBondContact O-N 2.79Å; I88-K237 HydrophobicContact CB-CG 4.32Å; I88-K237 HydrophobicContact CD1-CB 3.75Å; I88-K237 HydrophobicContact CD1-CG 3.83Å; I88-E240 HydrophobicContact CD1-CB 4.37Å; I88-E240 HydrophobicContact CG2-CB 4.1Å; I88-E240 HydrophobicContact CG2-CG 4.2Å
89K72.3Confident79.6Confident183 Ų18368 Ų6880%0.79634%0.343SS*.  trans-73.4115.2172-69.7-178.2179.7178.70108.8S91K89-S91 PolarHBondContact O-N 3.2Å
90L76.3Confident79.6Confident57 Ų5765 Ų6530%0.29833%0.328SS..  trans-77.562.3176.7-57.7169.9000110.8I88 Y120 P121 V233 V236I88-L90 PolarHBondContact O-N 2.79Å; L90-Y120 HydrophobicContact CB-CE2 3.99Å; L90-Y120 HydrophobicContact CD1-CD2 4.35Å; L90-Y120 HydrophobicContact CD1-CE2 4.48Å; L90-Y120 HydrophobicContact CD2-CD2 4.07Å; L90-Y120 HydrophobicContact CD2-CE2 3.61Å; L90-Y120 HydrophobicContact CG-CE2 4.22Å; L90-P121 HydrophobicContact CB-CG 4.48Å; L90-V233 HydrophobicContact CD1-CG1 4.07Å; L90-V233 HydrophobicContact CD1-CG2 4.05Å; L90-V233 HydrophobicContact CD2-CG1 4.09Å; L90-V236 HydrophobicContact CD2-CG1 4.38Å
91S77.2Confident79.7Confident97 Ų9766.9 Ų66.968%0.67833%0.334SS*.  trans-93.1-4.3-176.260.60000114K89K89-S91 PolarHBondContact O-N 3.2Å
92K85.9Confident79.6Confident75 Ų7560.5 Ų60.533%0.32631%0.312SS..SBendtrans-88.3149.3-174.6-64.8-61.2-163.4166.70111.8Y120 D215 Y216 E240K92-Y120 WeakPolarHBondContact O-CE1 3.35Å; K92-Y120 PolarHBondContact O-OH 2.98Å; K92-D215 HydrophobicContact CB-CB 4.11Å; K92-D215 HydrophobicContact CD-CB 4.21Å; K92-D215 IonicContact NZ-OD1 3.3Å; K92-D215 PolarHBondContact NZ-OD1 3.48Å; K92-Y216 HydrophobicContact CB-CD2 3.88Å; K92-Y216 HydrophobicContact CB-CE2 3.64Å; K92-Y216 HydrophobicContact CG-CE2 3.82Å; K92-E240 WeakPolarHBondContact CG-OE1 3.48Å
93S90.2Very high79.7Confident46 Ų4653.3 Ų53.332%0.32229%0.285SS..  trans-82.9134.6177.8550000110.6V214 D215 Y216S93-V214 VanDerWaalsContact OG-CA 3.22Å; S93-V214 WeakPolarHBondContact OG-CA 3.31Å; S93-D215 PolarHBondContact N-OD2 3.17Å; S93-D215 PolarHBondContact O-N 2.71Å; S93-D215 VanDerWaalsContact O-N 3.14Å; S93-D215 PolarHBondContact OG-N 2.83Å; S93-D215 PolarHBondContact OG-OD2 3.13Å; S93-Y216 PolarHBondContact O-N 2.95Å; S93-Y216 VanDerWaalsContact O-N 3.08Å
94L91.1Very high80.4Confident2 Ų255.5 Ų55.51%0.0130%0.296CS..EExtended strand (participates in β ladder)trans-125.8129.1-176.5177.763.8000110.3Y120 I123 K124 Q218 M296L94-Y120 HydrophobicContact CB-CD1 4.03Å; L94-Y120 HydrophobicContact CB-CE1 3.71Å; L94-Y120 HydrophobicContact CD2-CD1 3.94Å; L94-Y120 HydrophobicContact CD2-CD2 4.4Å; L94-Y120 HydrophobicContact CD2-CE1 4.3Å; L94-Y120 HydrophobicContact CD2-CG 4.01Å; L94-I123 HydrophobicContact CD2-CD1 4.48Å; L94-I123 HydrophobicContact CD2-CG1 4.23Å; L94-I123 HydrophobicContact CG-CG2 4.46Å; L94-I123 WeakPolarHBondContact O-CA 3.24Å; L94-K124 PolarHBondContact O-N 2.85Å; L94-Q218 HydrophobicContact CD1-CB 3.99Å; L94-M296 HydrophobicContact CD1-CE 3.84Å; L94-M296 HydrophobicContact CD1-SD 4.26Å; L94-M296 HydrophobicContact CD2-CE 4.16Å
95A92.1Very high81.6Confident0 Ų053.8 Ų53.80%029%0.29CS..EExtended strand (participates in β ladder)trans-106.2140.7164.800000111K124 L210 V214 Y216 V217 Q218A95-K124 CarbonylContact C-O 3.04Å; A95-K124 VanDerWaalsContact CA-O 3.25Å; A95-K124 WeakPolarHBondContact CA-O 3.25Å; A95-K124 HydrophobicContact CB-CB 4.39Å; A95-L210 HydrophobicContact CB-CD1 3.54Å; A95-L210 HydrophobicContact CB-CD2 3.58Å; A95-L210 HydrophobicContact CB-CG 4.22Å; A95-V214 HydrophobicContact CB-CB 4.38Å; A95-V214 HydrophobicContact CB-CG1 4.01Å; A95-V214 HydrophobicContact CB-CG2 3.84Å; A95-Y216 PolarHBondContact N-O 3.45Å; A95-V217 CarbonylContact O-C 3.58Å; A95-V217 WeakPolarHBondContact O-CA 3.45Å; A95-Q218 PolarHBondContact O-N 2.88Å
96L92.1Very high82.8Confident0 Ų050.6 Ų50.60%028%0.279CS..EExtended strand (participates in β ladder)trans-113.4116.3172.6-172.5158.4000108.9I98 V115 L118 I123 K124 V125 I126 Q218 V220 L227L96-I98 HydrophobicContact CD2-CD1 3.76Å; L96-I98 HydrophobicContact CD2-CG1 3.3Å; L96-V115 HydrophobicContact CD1-CG1 4.07Å; L96-V115 HydrophobicContact CD1-CG2 4.2Å; L96-V115 HydrophobicContact CD2-CG1 4.23Å; L96-V115 HydrophobicContact CD2-CG2 4.2Å; L96-L118 HydrophobicContact CD1-CD1 3.37Å; L96-I123 HydrophobicContact CB-CG2 3.88Å; L96-K124 PolarHBondContact N-O 3.18Å; L96-V125 HydrophobicContact CD2-CG1 4.44Å; L96-I126 PolarHBondContact O-N 2.97Å; L96-Q218 CarbonylContact C-O 3.5Å; L96-Q218 VanDerWaalsContact CA-O 3.31Å; L96-Q218 WeakPolarHBondContact CA-O 3.32Å; L96-Q218 HydrophobicContact CG-CG 4.49Å; L96-V220 HydrophobicContact CD1-CG2 4.18Å; L96-V220 HydrophobicContact CD2-CB 4.33Å; L96-V220 HydrophobicContact CD2-CG2 3.76Å; L96-V220 HydrophobicContact CG-CG2 3.88Å; L96-L227 HydrophobicContact CD1-CD1 3.77Å
97C92.1Very high83.8Confident6 Ų649.1 Ų49.14%0.04127%0.266CS..EExtended strand (participates in β ladder)trans-103122.9-178.6-59.90000110.4I126 A206 L210 Q218 V220C97-I126 CarbonylContact C-O 3.54Å; C97-I126 VanDerWaalsContact CA-O 3.3Å; C97-I126 WeakPolarHBondContact CA-O 3.34Å; C97-A206 HydrophobicContact CB-CB 4.01Å; C97-L210 VanDerWaalsContact SG-CD1 3.51Å; C97-Q218 PolarHBondContact N-O 2.9Å; C97-V220 WeakPolarHBondContact O-CA 3.22Å; C97-V220 PolarHBondContact O-N 2.92Å
98I91.4Very high84.9Confident3 Ų343 Ų432%0.01523%0.226CC..EExtended strand (participates in β ladder)trans-111.3125.3178.6-51.3175000108.9L96 L112 V115 V125 I126 M127 V128 V220L96-I98 HydrophobicContact CD2-CD1 3.76Å; L96-I98 HydrophobicContact CD2-CG1 3.3Å; I98-L112 HydrophobicContact CD1-CD2 3.74Å; I98-V115 HydrophobicContact CD1-CG2 4.02Å; I98-V125 HydrophobicContact CD1-CG1 4.13Å; I98-I126 PolarHBondContact N-O 3.34Å; I98-M127 HydrophobicContact CB-CB 4.22Å; I98-M127 HydrophobicContact CB-CG 3.99Å; I98-M127 HydrophobicContact CG2-CG 4.12Å; I98-M127 CarbonylContact O-C 3.21Å; I98-M127 WeakPolarHBondContact O-CA 3.3Å; I98-V128 PolarHBondContact O-N 2.9Å; I98-V220 WeakPolarHBondContact CA-O 3.3Å; I98-V220 HydrophobicContact CG1-CB 4.35Å
99A89.3Confident86Confident11 Ų1144.8 Ų44.89%0.09123%0.23CC..EExtended strand (participates in β ladder)trans-102.1128.5172.900000110.1V202 V220 S223A99-V202 HydrophobicContact CB-CB 4.44Å; A99-V202 HydrophobicContact CB-CG1 3.57Å; A99-V220 PolarHBondContact N-O 3.46Å; A99-S223 WeakPolarHBondContact O-CB 3.47Å
100A87.6Confident86.7Confident5 Ų538.8 Ų38.84%0.04120%0.204CC..EExtended strand (participates in β ladder)trans-132.8141.5-178.200000112.3E103 V128 I129 D130 M139A100-E103 HydrophobicContact CB-CG 4.41Å; A100-V128 PolarHBondContact N-O 2.86Å; A100-I129 HydrophobicContact CB-CG1 4.41Å; A100-I129 WeakPolarHBondContact O-CA 3.22Å; A100-D130 PolarHBondContact O-N 3.03Å; A100-M139 HydrophobicContact CB-SD 4.06Å
101Y85.9Confident87.4Confident57 Ų5736.1 Ų36.122%0.22419%0.19CC..SBendtrans-155.2114.7174.2178-114.7000112E103 D130 W196 W473Y101-E103 VanDerWaalsContact C-N 3.29Å; Y101-E103 WeakPolarHBondContact O-CG 3.43Å; Y101-E103 PolarHBondContact O-N 3.2Å; Y101-D130 HydrophobicContact CD2-CB 3.81Å; Y101-D130 WeakPolarHBondContact CD2-O 3.33Å; Y101-D130 VanDerWaalsContact CE2-O 3.25Å; Y101-D130 WeakPolarHBondContact CE2-O 3.4Å; Y101-D130 HydrophobicContact CG-CB 4.14Å; Y101-W196 AromaticContact CE2-CD1 3.62Å; Y101-W196 AromaticContact CE2-NE1 3.89Å; Y101-W196 AromaticContact CZ-CD1 3.93Å; Y101-W196 AromaticContact CZ-NE1 3.73Å; Y101-W473 HydrophobicContact CD1-CH2 4.42Å
102Q81.8Confident88Confident34 Ų3431.5 Ų31.516%0.15916%0.157CC..SBendtrans43.952.5179.3-64.5-166.4-5.100113.9K479Q102-K479 HydrophobicContact CB-CB 4.16Å; Q102-K479 PolarHBondContact O-N 3.21Å
103E80.5Confident88.2Confident19 Ų1930.5 Ų30.59%0.08916%0.158CC..  trans-90.3157.2-172.5-64-83-152.800111.8A100 Y101 P105 Y138 M139 S223 R478A100-E103 HydrophobicContact CB-CG 4.41Å; Y101-E103 VanDerWaalsContact C-N 3.29Å; Y101-E103 WeakPolarHBondContact O-CG 3.43Å; Y101-E103 PolarHBondContact O-N 3.2Å; E103-P105 WeakPolarHBondContact O-CD 3.49Å; E103-Y138 PolarHBondContact N-OH 2.83Å; E103-Y138 PolarHBondContact O-OH 2.96Å; E103-M139 HydrophobicContact CB-SD 4.43Å; E103-S223 WeakPolarHBondContact CG-OG 3.33Å; E103-S223 PolarHBondContact OE1-OG 2.84Å; E103-R478 WeakPolarHBondContact OE2-CD 3.37Å; E103-R478 IonicContact OE2-CZ 3.98Å; E103-R478 IonicContact OE2-NE 3.36Å; E103-R478 PolarHBondContact OE2-NE 2.79Å
104D83.4Confident88.2Confident60 Ų6028.4 Ų28.432%0.32114%0.143SC..  trans-66.2126.7173.3-173.7-62.8000109.9N106 Y107 L108D104-N106 PolarHBondContact O-N 3.33Å; D104-N106 VanDerWaalsContact O-N 3.17Å; D104-N106 WeakPolarHBondContact OD1-CA 3.47Å; D104-N106 VanDerWaalsContact OD1-CB 3.27Å; D104-N106 WeakPolarHBondContact OD1-CB 3.42Å; D104-N106 PolarHBondContact OD1-N 3.37Å; D104-N106 PolarHBondContact OD1-ND2 3.03Å; D104-Y107 HydrophobicContact CB-CD2 3.66Å; D104-Y107 HydrophobicContact CB-CG 4.41Å; D104-Y107 PolarHBondContact O-N 2.94Å; D104-L108 PolarHBondContact O-N 3.3Å
105P86.1Confident88.1Confident62 Ų6228.5 Ų28.540%0.40314%0.144SC..Hα-helixtrans-53.1-37-179.6-28.835.4000114.4E103 R109 Y138 I142E103-P105 WeakPolarHBondContact O-CD 3.49Å; P105-R109 VanDerWaalsContact O-CB 3.31Å; P105-R109 WeakPolarHBondContact O-CB 3.23Å; P105-R109 PolarHBondContact O-N 3.47Å; P105-Y138 HydrophobicContact CG-CD2 4.06Å; P105-Y138 HydrophobicContact CG-CE2 3.85Å; P105-I142 HydrophobicContact CB-CD1 3.82Å
106N86.3Confident87.9Confident103 Ų10334.9 Ų34.955%0.55117%0.171SC*.Hα-helixtrans-72.7-41.3-177.7-63.2-53.4000111.4D104 K110D104-N106 PolarHBondContact O-N 3.33Å; D104-N106 VanDerWaalsContact O-N 3.17Å; D104-N106 WeakPolarHBondContact OD1-CA 3.47Å; D104-N106 VanDerWaalsContact OD1-CB 3.27Å; D104-N106 WeakPolarHBondContact OD1-CB 3.42Å; D104-N106 PolarHBondContact OD1-N 3.37Å; D104-N106 PolarHBondContact OD1-ND2 3.03Å; N106-K110 WeakPolarHBondContact O-CB 3.3Å; N106-K110 WeakPolarHBondContact O-CG 3.33Å; N106-K110 PolarHBondContact O-N 3.25Å; N106-K110 VanDerWaalsContact O-N 3.09Å
107Y84.6Confident87.7Confident39 Ų3939 Ų3915%0.15319%0.187CC..Hα-helixtrans-69-42.3177.6-72.6-56.4000111.2D104 R109 K110 C111 L255 E349D104-Y107 HydrophobicContact CB-CD2 3.66Å; D104-Y107 HydrophobicContact CB-CG 4.41Å; D104-Y107 PolarHBondContact O-N 2.94Å; Y107-R109 PolarHBondContact O-N 3.48Å; Y107-K110 PolarHBondContact O-N 2.76Å; Y107-C111 PolarHBondContact O-N 3.24Å; Y107-L255 HydrophobicContact CD1-CD2 4.22Å; Y107-L255 HydrophobicContact CE1-CD2 3.79Å; Y107-E349 HydrophobicContact CE2-CG 4.25Å
108L88.4Confident87.5Confident0 Ų039.6 Ų39.60%019%0.189CC..Hα-helixtrans-60.5-46.4175.9-179.562.2000111.7D104 K110 C111 L112 M127 M139 I142D104-L108 PolarHBondContact O-N 3.3Å; L108-K110 VanDerWaalsContact C-N 3.33Å; L108-K110 PolarHBondContact O-N 3.45Å; L108-C111 WeakPolarHBondContact O-CB 3.49Å; L108-C111 PolarHBondContact O-N 3.06Å; L108-L112 HydrophobicContact CD1-CD1 4.2Å; L108-L112 HydrophobicContact CD1-CG 4.35Å; L108-L112 HydrophobicContact CG-CD1 4.08Å; L108-L112 WeakPolarHBondContact O-CG 3.27Å; L108-L112 PolarHBondContact O-N 2.83Å; L108-M127 HydrophobicContact CD1-SD 4.13Å; L108-M139 HydrophobicContact CD2-CB 3.77Å; L108-M139 HydrophobicContact CD2-CG 3.72Å; L108-I142 HydrophobicContact CD2-CB 4.44Å; L108-I142 HydrophobicContact CD2-CD1 4.26Å; L108-I142 HydrophobicContact CD2-CG2 4.39Å; L108-I142 HydrophobicContact CG-CG2 4.34Å
109R90.5Very high87.2Confident81 Ų8143.4 Ų43.431%0.30621%0.213SC..Hα-helixtrans-57.9-46.5176.3-176-178.3-63.8-78.11.1111.3P105 Y107 C111 L112 V113 I142 E145 V146P105-R109 VanDerWaalsContact O-CB 3.31Å; P105-R109 WeakPolarHBondContact O-CB 3.23Å; P105-R109 PolarHBondContact O-N 3.47Å; Y107-R109 PolarHBondContact O-N 3.48Å; R109-C111 PolarHBondContact O-N 2.95Å; R109-L112 PolarHBondContact O-N 3.28Å; R109-V113 HydrophobicContact CG-CG2 4.42Å; R109-V113 WeakPolarHBondContact O-CB 3.28Å; R109-V113 VanDerWaalsContact O-CG2 3.29Å; R109-V113 WeakPolarHBondContact O-CG2 3.41Å; R109-V113 PolarHBondContact O-N 3.32Å; R109-I142 HydrophobicContact CB-CG2 4.09Å; R109-E145 IonicContact CZ-OE1 3.57Å; R109-E145 IonicContact CZ-OE2 3.73Å; R109-E145 VanDerWaalsContact CZ-OE2 3.26Å; R109-E145 IonicContact NH1-OE1 2.99Å; R109-E145 PolarHBondContact NH1-OE1 2.9Å; R109-E145 IonicContact NH1-OE2 3.42Å; R109-E145 PolarHBondContact NH1-OE2 3.06Å; R109-E145 IonicContact NH2-OE1 3.36Å; R109-E145 PolarHBondContact NH2-OE1 2.87Å; R109-E145 IonicContact NH2-OE2 2.67Å; R109-E145 PolarHBondContact NH2-OE2 3.43Å; R109-V146 HydrophobicContact CG-CG2 4.05Å
110K88.5Confident87Confident58 Ų5843.3 Ų43.325%0.25221%0.21SC..Hα-helixtrans-62.8-40.4179-74.5171.6-176.6-167.50112.5N106 Y107 L108 S114 M226N106-K110 WeakPolarHBondContact O-CB 3.3Å; N106-K110 WeakPolarHBondContact O-CG 3.33Å; N106-K110 PolarHBondContact O-N 3.25Å; N106-K110 VanDerWaalsContact O-N 3.09Å; Y107-K110 PolarHBondContact O-N 2.76Å; L108-K110 VanDerWaalsContact C-N 3.33Å; L108-K110 PolarHBondContact O-N 3.45Å; K110-S114 WeakPolarHBondContact O-CB 3.39Å; K110-S114 PolarHBondContact O-N 3.29Å; K110-M226 HydrophobicContact CB-CE 3.46Å; K110-M226 VanDerWaalsContact CB-CE 3.46Å; K110-M226 HydrophobicContact CB-CG 4.32Å; K110-M226 HydrophobicContact CD-CE 3.37Å; K110-M226 HydrophobicContact CG-CE 3.79Å
111C89.9Confident86.8Confident0 Ų046.8 Ų46.80%023%0.232CC..Hα-helixtrans-58.2-53.5172.61710000111Y107 L108 R109 V113 S114 V115 S223 T225Y107-C111 PolarHBondContact O-N 3.24Å; L108-C111 WeakPolarHBondContact O-CB 3.49Å; L108-C111 PolarHBondContact O-N 3.06Å; R109-C111 PolarHBondContact O-N 2.95Å; C111-V113 PolarHBondContact O-N 2.94Å; C111-S114 WeakPolarHBondContact O-CB 3.38Å; C111-S114 PolarHBondContact O-N 3.42Å; C111-S114 PolarHBondContact O-OG 3.07Å; C111-V115 WeakPolarHBondContact O-CG2 3.38Å; C111-V115 PolarHBondContact O-N 3.49Å; C111-S223 WeakPolarHBondContact CB-O 3.33Å; C111-S223 PolarHBondContact SG-O 2.86Å; C111-T225 WeakPolarHBondContact CB-O 3.32Å; C111-T225 PolarHBondContact SG-O 3.41Å
112L90.4Very high86.5Confident0 Ų046.8 Ų46.80%025%0.25CS..Hα-helixtrans-63.5-38.6-178.2-67.2169.6000113.1I98 L108 R109 S114 V115 K116 M127 I142 F143 V146I98-L112 HydrophobicContact CD1-CD2 3.74Å; L108-L112 HydrophobicContact CD1-CD1 4.2Å; L108-L112 HydrophobicContact CD1-CG 4.35Å; L108-L112 HydrophobicContact CG-CD1 4.08Å; L108-L112 WeakPolarHBondContact O-CG 3.27Å; L108-L112 PolarHBondContact O-N 2.83Å; R109-L112 PolarHBondContact O-N 3.28Å; L112-S114 VanDerWaalsContact C-N 3.33Å; L112-S114 PolarHBondContact O-N 2.87Å; L112-V115 PolarHBondContact O-N 3.05Å; L112-K116 PolarHBondContact O-N 3.22Å; L112-M127 HydrophobicContact CD1-SD 4.47Å; L112-M127 HydrophobicContact CD2-SD 4.15Å; L112-I142 HydrophobicContact CD1-CG2 3.94Å; L112-F143 HydrophobicContact CD1-CB 4.26Å; L112-F143 HydrophobicContact CD1-CD2 4.27Å; L112-F143 HydrophobicContact CD2-CD2 3.67Å; L112-F143 HydrophobicContact CD2-CE2 4.11Å; L112-V146 HydrophobicContact CB-CB 4.08Å; L112-V146 HydrophobicContact CB-CG1 3.72Å; L112-V146 HydrophobicContact CB-CG2 4.3Å
113V90.8Very high86.8Confident55 Ų5546.3 Ų46.333%0.33325%0.248SC..Hα-helixtrans-62-42.8173.4169.80000110.5R109 C111 V115 K116 R117 V146R109-V113 HydrophobicContact CG-CG2 4.42Å; R109-V113 WeakPolarHBondContact O-CB 3.28Å; R109-V113 VanDerWaalsContact O-CG2 3.29Å; R109-V113 WeakPolarHBondContact O-CG2 3.41Å; R109-V113 PolarHBondContact O-N 3.32Å; C111-V113 PolarHBondContact O-N 2.94Å; V113-V115 VanDerWaalsContact C-N 3.33Å; V113-V115 PolarHBondContact O-N 3.41Å; V113-K116 PolarHBondContact O-N 3.32Å; V113-R117 WeakPolarHBondContact O-CG 3.32Å; V113-R117 PolarHBondContact O-N 3.03Å; V113-V146 HydrophobicContact CG2-CG1 3.87Å; V113-V146 HydrophobicContact CG2-CG2 4.37Å
114S89.1Confident87.4Confident1 Ų146.8 Ų46.81%0.00725%0.25CS..Hα-helixtrans-63.6-38176.4790000112.7K110 C111 L112 R117 L118 M226 L227K110-S114 WeakPolarHBondContact O-CB 3.39Å; K110-S114 PolarHBondContact O-N 3.29Å; C111-S114 WeakPolarHBondContact O-CB 3.38Å; C111-S114 PolarHBondContact O-N 3.42Å; C111-S114 PolarHBondContact O-OG 3.07Å; L112-S114 VanDerWaalsContact C-N 3.33Å; L112-S114 PolarHBondContact O-N 2.87Å; S114-R117 PolarHBondContact O-N 3.36Å; S114-L118 PolarHBondContact O-N 3.15Å; S114-M226 WeakPolarHBondContact OG-CA 3.33Å; S114-L227 PolarHBondContact OG-N 2.93Å
115V88.8Confident87.8Confident5 Ų544.3 Ų44.33%0.0324%0.237CC..Hα-helixtrans-64.4-41175.9169.30000111.2L96 I98 C111 L112 V113 R117 L118 V125 L227L96-V115 HydrophobicContact CD1-CG1 4.07Å; L96-V115 HydrophobicContact CD1-CG2 4.2Å; L96-V115 HydrophobicContact CD2-CG1 4.23Å; L96-V115 HydrophobicContact CD2-CG2 4.2Å; I98-V115 HydrophobicContact CD1-CG2 4.02Å; C111-V115 WeakPolarHBondContact O-CG2 3.38Å; C111-V115 PolarHBondContact O-N 3.49Å; L112-V115 PolarHBondContact O-N 3.05Å; V113-V115 VanDerWaalsContact C-N 3.33Å; V113-V115 PolarHBondContact O-N 3.41Å; V115-R117 PolarHBondContact O-N 3.17Å; V115-L118 HydrophobicContact CG1-CD1 4.3Å; V115-L118 WeakPolarHBondContact O-CB 3.21Å; V115-L118 VanDerWaalsContact O-CG 3.27Å; V115-L118 WeakPolarHBondContact O-CG 3.36Å; V115-L118 PolarHBondContact O-N 3.18Å; V115-V125 HydrophobicContact CG1-CB 4.5Å; V115-V125 HydrophobicContact CG1-CG1 3.91Å; V115-V125 HydrophobicContact CG1-CG2 3.72Å; V115-L227 HydrophobicContact CG2-CD1 3.98Å
116K87.6Confident88.1Confident134 Ų13441.4 Ų41.458%0.58322%0.218SC*.Hα-helixtrans-63.7-27.5176.1-170.4177.1-176.4174.80112.9L112 V113 L118 V146L112-K116 PolarHBondContact O-N 3.22Å; V113-K116 PolarHBondContact O-N 3.32Å; K116-L118 VanDerWaalsContact C-N 3.33Å; K116-V146 WeakPolarHBondContact CD-O 3.2Å; K116-V146 PolarHBondContact NZ-O 3.25Å
117R87.9Confident88.5Confident86 Ų8636.5 Ų36.533%0.32519%0.192SC..THydrogen-bonded Turntrans-83.8-0.5177.4-68.7-170.6-62.2-156.1-0.1114V113 S114 V115 T119 P229 V562V113-R117 WeakPolarHBondContact O-CG 3.32Å; V113-R117 PolarHBondContact O-N 3.03Å; S114-R117 PolarHBondContact O-N 3.36Å; V115-R117 PolarHBondContact O-N 3.17Å; R117-T119 PolarHBondContact O-N 3.03Å; R117-P229 WeakPolarHBondContact O-CB 3.39Å; R117-V562 VanDerWaalsContact CZ-O 3.24Å; R117-V562 PolarHBondContact NH1-O 2.56Å
118L88.8Confident88.8Confident18 Ų1834.7 Ų34.79%0.09419%0.185CC..  trans-61.6135.1178.9-69.7172.1000111.2L96 S114 V115 K116 Y120 I123 L227 D228 S231L96-L118 HydrophobicContact CD1-CD1 3.37Å; S114-L118 PolarHBondContact O-N 3.15Å; V115-L118 HydrophobicContact CG1-CD1 4.3Å; V115-L118 WeakPolarHBondContact O-CB 3.21Å; V115-L118 VanDerWaalsContact O-CG 3.27Å; V115-L118 WeakPolarHBondContact O-CG 3.36Å; V115-L118 PolarHBondContact O-N 3.18Å; K116-L118 VanDerWaalsContact C-N 3.33Å; L118-Y120 VanDerWaalsContact C-N 3.34Å; L118-Y120 PolarHBondContact O-N 3.27Å; L118-I123 HydrophobicContact CB-CD1 3.56Å; L118-I123 HydrophobicContact CD1-CD1 3.76Å; L118-I123 HydrophobicContact CG-CD1 4.32Å; L118-L227 HydrophobicContact CD1-CD1 4.15Å; L118-L227 HydrophobicContact CD2-CB 4.1Å; L118-L227 HydrophobicContact CD2-CD1 4.4Å; L118-D228 WeakPolarHBondContact CD2-O 3.37Å; L118-S231 WeakPolarHBondContact CD2-OG 3.48Å
119T85.7Confident88.9Confident84 Ų8434.7 Ų34.752%0.51519%0.185SC..  trans-80.7-13.5-174.754.10000113.8R117 P229 V233R117-T119 PolarHBondContact O-N 3.03Å; T119-P229 WeakPolarHBondContact CB-O 3.24Å; T119-P229 HydrophobicContact CG2-CB 3.97Å; T119-P229 PolarHBondContact N-O 2.83Å; T119-P229 PolarHBondContact OG1-O 3.18Å; T119-V233 WeakPolarHBondContact OG1-CG2 3.16Å
120Y84.9Confident88.7Confident9 Ų931 Ų314%0.03517%0.171CC..SBendtrans-69.4130.8-177.8-166.5-82000110.4L90 K92 L94 L118 I123 V233 V236L90-Y120 HydrophobicContact CB-CE2 3.99Å; L90-Y120 HydrophobicContact CD1-CD2 4.35Å; L90-Y120 HydrophobicContact CD1-CE2 4.48Å; L90-Y120 HydrophobicContact CD2-CD2 4.07Å; L90-Y120 HydrophobicContact CD2-CE2 3.61Å; L90-Y120 HydrophobicContact CG-CE2 4.22Å; K92-Y120 WeakPolarHBondContact O-CE1 3.35Å; K92-Y120 PolarHBondContact O-OH 2.98Å; L94-Y120 HydrophobicContact CB-CD1 4.03Å; L94-Y120 HydrophobicContact CB-CE1 3.71Å; L94-Y120 HydrophobicContact CD2-CD1 3.94Å; L94-Y120 HydrophobicContact CD2-CD2 4.4Å; L94-Y120 HydrophobicContact CD2-CE1 4.3Å; L94-Y120 HydrophobicContact CD2-CG 4.01Å; L118-Y120 VanDerWaalsContact C-N 3.34Å; L118-Y120 PolarHBondContact O-N 3.27Å; Y120-I123 HydrophobicContact CD1-CG1 3.8Å; Y120-I123 HydrophobicContact CG-CG1 4.24Å; Y120-I123 WeakPolarHBondContact O-CG1 3.32Å; Y120-V233 HydrophobicContact CD2-CG2 3.99Å; Y120-V236 HydrophobicContact CD2-CG2 4.3Å; Y120-V236 HydrophobicContact CE2-CB 4.03Å; Y120-V236 HydrophobicContact CE2-CG1 4.06Å; Y120-V236 HydrophobicContact CE2-CG2 3.7Å
121P83.4Confident88.5Confident77 Ų7728.4 Ų28.450%0.516%0.161SC..THydrogen-bonded Turntrans-74.2137.7-176.429.2-34.1000111.6L90 I123L90-P121 HydrophobicContact CB-CG 4.48Å; P121-I123 PolarHBondContact O-N 3.35Å
122G79.7Confident88.3Confident58 Ų5831.1 Ų31.160%0.59818%0.175SC*.THydrogen-bonded Turntrans70.825168.100000115.8K124G122-K124 PolarHBondContact O-N 2.93Å
123I88.1Confident88.1Confident24 Ų2433.5 Ų33.512%0.12319%0.192CC..  trans-59.8133.2175.6-51.8173.5000110.1L94 L96 L118 Y120 P121 V125L94-I123 HydrophobicContact CD2-CD1 4.48Å; L94-I123 HydrophobicContact CD2-CG1 4.23Å; L94-I123 HydrophobicContact CG-CG2 4.46Å; L94-I123 WeakPolarHBondContact O-CA 3.24Å; L96-I123 HydrophobicContact CB-CG2 3.88Å; L118-I123 HydrophobicContact CB-CD1 3.56Å; L118-I123 HydrophobicContact CD1-CD1 3.76Å; L118-I123 HydrophobicContact CG-CD1 4.32Å; Y120-I123 HydrophobicContact CD1-CG1 3.8Å; Y120-I123 HydrophobicContact CG-CG1 4.24Å; Y120-I123 WeakPolarHBondContact O-CG1 3.32Å; P121-I123 PolarHBondContact O-N 3.35Å; I123-V125 HydrophobicContact CG2-CG2 4.15Å
124K91.8Very high87.7Confident29 Ų2937.9 Ų37.913%0.12621%0.214CC..EExtended strand (participates in β ladder)trans-89.5121.5166.3-178.4174.2-70.9-165.80109.1L94 A95 L96 G122 I126 V184 L185 N187 K188 L210L94-K124 PolarHBondContact O-N 2.85Å; A95-K124 CarbonylContact C-O 3.04Å; A95-K124 VanDerWaalsContact CA-O 3.25Å; A95-K124 WeakPolarHBondContact CA-O 3.25Å; A95-K124 HydrophobicContact CB-CB 4.39Å; L96-K124 PolarHBondContact N-O 3.18Å; G122-K124 PolarHBondContact O-N 2.93Å; K124-I126 HydrophobicContact CD-CD1 4.2Å; K124-I126 HydrophobicContact CG-CD1 4.31Å; K124-I126 HydrophobicContact CG-CG1 4.19Å; K124-V184 WeakPolarHBondContact CE-O 3.36Å; K124-V184 PolarHBondContact NZ-O 2.89Å; K124-L185 PolarHBondContact NZ-O 2.73Å; K124-L185 VanDerWaalsContact NZ-O 3.07Å; K124-N187 VanDerWaalsContact CE-O 3.26Å; K124-N187 WeakPolarHBondContact CE-O 3.26Å; K124-K188 CarbonylContact C-O 3.58Å; K124-K188 WeakPolarHBondContact CA-O 3.49Å; K124-L210 HydrophobicContact CD-CD2 3.94Å
125V92.7Very high87.4Confident8 Ų842.9 Ų42.95%0.04824%0.24CC..EExtended strand (participates in β ladder)trans-105.5123.4-179.8-177.90000109.5L96 I98 V115 I123 F143 M147 K188 C189 V190L96-V125 HydrophobicContact CD2-CG1 4.44Å; I98-V125 HydrophobicContact CD1-CG1 4.13Å; V115-V125 HydrophobicContact CG1-CB 4.5Å; V115-V125 HydrophobicContact CG1-CG1 3.91Å; V115-V125 HydrophobicContact CG1-CG2 3.72Å; I123-V125 HydrophobicContact CG2-CG2 4.15Å; V125-F143 HydrophobicContact CG1-CE2 4.24Å; V125-M147 HydrophobicContact CB-CE 3.62Å; V125-M147 HydrophobicContact CG1-CE 3.65Å; V125-M147 HydrophobicContact CG2-CE 3.79Å; V125-K188 PolarHBondContact N-O 3.46Å; V125-C189 CarbonylContact O-C 3.54Å; V125-C189 WeakPolarHBondContact O-CA 3.41Å; V125-V190 PolarHBondContact O-N 3.3Å
126I93Very high87.3Confident0 Ų042.9 Ų42.90%024%0.24CC..EExtended strand (participates in β ladder)trans-125118179.8-58167.5000107.8L96 C97 I98 K124 V128 V184 V190 L210L96-I126 PolarHBondContact O-N 2.97Å; C97-I126 CarbonylContact C-O 3.54Å; C97-I126 VanDerWaalsContact CA-O 3.3Å; C97-I126 WeakPolarHBondContact CA-O 3.34Å; I98-I126 PolarHBondContact N-O 3.34Å; K124-I126 HydrophobicContact CD-CD1 4.2Å; K124-I126 HydrophobicContact CG-CD1 4.31Å; K124-I126 HydrophobicContact CG-CG1 4.19Å; I126-V128 HydrophobicContact CG2-CG2 4.01Å; I126-V184 HydrophobicContact CD1-CG1 3.51Å; I126-V184 HydrophobicContact CG1-CG1 4.39Å; I126-V190 CarbonylContact C-O 3.43Å; I126-V190 VanDerWaalsContact CA-O 3.31Å; I126-V190 WeakPolarHBondContact CA-O 3.46Å; I126-L210 HydrophobicContact CD1-CD1 3.88Å; I126-L210 HydrophobicContact CD1-CD2 3.3Å; I126-L210 HydrophobicContact CD1-CG 3.41Å; I126-L210 VanDerWaalsContact CD1-CG 3.41Å
127M92.9Very high87.3Confident0 Ų040 Ų400%023%0.23CC..EExtended strand (participates in β ladder)trans-106127.7170.9-170.5175.577.100109.1I98 L108 L112 I129 F143 V190 C191 I192I98-M127 HydrophobicContact CB-CB 4.22Å; I98-M127 HydrophobicContact CB-CG 3.99Å; I98-M127 HydrophobicContact CG2-CG 4.12Å; I98-M127 CarbonylContact O-C 3.21Å; I98-M127 WeakPolarHBondContact O-CA 3.3Å; L108-M127 HydrophobicContact CD1-SD 4.13Å; L112-M127 HydrophobicContact CD1-SD 4.47Å; L112-M127 HydrophobicContact CD2-SD 4.15Å; M127-I129 HydrophobicContact CE-CD1 3.76Å; M127-I129 HydrophobicContact CE-CG1 3.93Å; M127-F143 HydrophobicContact CB-CD2 3.79Å; M127-F143 HydrophobicContact CB-CE2 3.68Å; M127-F143 HydrophobicContact CB-CZ 4.49Å; M127-F143 HydrophobicContact CE-CB 3.46Å; M127-F143 VanDerWaalsContact CE-CB 3.46Å; M127-F143 HydrophobicContact CE-CD2 3.7Å; M127-F143 HydrophobicContact CE-CG 3.81Å; M127-F143 HydrophobicContact CG-CD2 4.42Å; M127-F143 HydrophobicContact SD-CB 4.38Å; M127-F143 HydrophobicContact SD-CD2 3.77Å; M127-F143 HydrophobicContact SD-CG 4.46Å; M127-V190 PolarHBondContact N-O 3.34Å; M127-C191 HydrophobicContact CE-CB 4.45Å; M127-C191 WeakPolarHBondContact CE-SG 3.26Å; M127-C191 CarbonylContact O-C 3.54Å; M127-C191 VanDerWaalsContact O-CA 3.27Å; M127-C191 WeakPolarHBondContact O-CA 3.45Å; M127-I192 PolarHBondContact O-N 3.28Å
128V91.4Very high87.4Confident1 Ų137.9 Ų37.91%0.00622%0.222CC..EExtended strand (participates in β ladder)trans-116.5126.5174-172.60000108.4I98 A100 I126 I192 Q194 V202 T205 A206I98-V128 PolarHBondContact O-N 2.9Å; A100-V128 PolarHBondContact N-O 2.86Å; I126-V128 HydrophobicContact CG2-CG2 4.01Å; V128-I192 CarbonylContact C-O 3.49Å; V128-I192 VanDerWaalsContact CA-O 3.29Å; V128-I192 WeakPolarHBondContact CA-O 3.49Å; V128-I192 HydrophobicContact CG1-CB 4.43Å; V128-I192 HydrophobicContact CG2-CB 4.37Å; V128-I192 HydrophobicContact CG2-CD1 4.47Å; V128-Q194 HydrophobicContact CG1-CG 4.18Å; V128-V202 HydrophobicContact CB-CG1 3.54Å; V128-V202 HydrophobicContact CG1-CB 4.32Å; V128-V202 HydrophobicContact CG1-CG1 3.7Å; V128-V202 VanDerWaalsContact O-CG1 3.23Å; V128-V202 WeakPolarHBondContact O-CG1 3.5Å; V128-T205 HydrophobicContact CG1-CG2 4.12Å; V128-T205 HydrophobicContact CG2-CG2 4.4Å; V128-A206 HydrophobicContact CG2-CB 3.96Å
129I90.3Very high87.4Confident0 Ų037 Ų370%022%0.218CC..EExtended strand (participates in β ladder)trans-102.6125.8-178.1-61.6164.7000108.7A100 M127 G131 D136 M139 M140 I192 M193 Q194A100-I129 HydrophobicContact CB-CG1 4.41Å; A100-I129 WeakPolarHBondContact O-CA 3.22Å; M127-I129 HydrophobicContact CE-CD1 3.76Å; M127-I129 HydrophobicContact CE-CG1 3.93Å; I129-G131 PolarHBondContact O-N 3.33Å; I129-D136 HydrophobicContact CG2-CB 4.29Å; I129-M139 HydrophobicContact CD1-CB 3.67Å; I129-M139 HydrophobicContact CG1-CB 4.21Å; I129-M139 HydrophobicContact CG2-CE 3.4Å; I129-M139 VanDerWaalsContact CG2-CE 3.4Å; I129-M139 HydrophobicContact CG2-SD 4.22Å; I129-M140 HydrophobicContact CD1-CB 4.07Å; I129-I192 PolarHBondContact N-O 2.95Å; I129-M193 HydrophobicContact CB-CG 3.88Å; I129-M193 HydrophobicContact CD1-CG 3.6Å; I129-M193 HydrophobicContact CD1-SD 4.33Å; I129-M193 HydrophobicContact CG1-CG 4.29Å; I129-M193 HydrophobicContact CG2-CG 4.27Å; I129-Q194 WeakPolarHBondContact O-CG 3.43Å; I129-Q194 PolarHBondContact O-N 3.28Å; I129-Q194 VanDerWaalsContact O-N 3.16Å
130D87.1Confident87.6Confident4 Ų433.5 Ų33.52%0.02120%0.195CC..SBendtrans-79.253.7179.5-158.212.5000112.7A100 Y101 W196 G197 G198 V202A100-D130 PolarHBondContact O-N 3.03Å; Y101-D130 HydrophobicContact CD2-CB 3.81Å; Y101-D130 WeakPolarHBondContact CD2-O 3.33Å; Y101-D130 VanDerWaalsContact CE2-O 3.25Å; Y101-D130 WeakPolarHBondContact CE2-O 3.4Å; Y101-D130 HydrophobicContact CG-CB 4.14Å; D130-W196 WeakPolarHBondContact OD1-CA 3.31Å; D130-G197 PolarHBondContact OD1-N 2.9Å; D130-G198 PolarHBondContact OD1-N 3.39Å; D130-G198 WeakPolarHBondContact OD2-CA 3.27Å; D130-G198 PolarHBondContact OD2-N 2.83Å; D130-V202 HydrophobicContact CB-CG2 3.4Å; D130-V202 VanDerWaalsContact CG-CG2 3.5Å
131G85Confident87.9Confident3 Ų338.3 Ų38.33%0.03122%0.218CC..  trans173.3135-175.100000109.8I129 D136 M193 Q194I129-G131 PolarHBondContact O-N 3.33Å; G131-D136 WeakPolarHBondContact CA-OD2 3.29Å; G131-M193 WeakPolarHBondContact O-CE 3.44Å; G131-Q194 CarbonylContact C-O 3.15Å; G131-Q194 VanDerWaalsContact CA-O 3.29Å; G131-Q194 WeakPolarHBondContact CA-O 3.42Å; G131-Q194 PolarHBondContact N-O 3.46Å
132N85.4Confident88.2Confident57 Ų5735.2 Ų35.231%0.30520%0.197SC..  trans-121.825.4178.862.1-6.9000111.6V156 W157 R158 M193 Q194N132-V156 HydrophobicContact CB-CG1 4.24Å; N132-W157 PolarHBondContact ND2-O 3.48Å; N132-R158 WeakPolarHBondContact ND2-CA 3.27Å; N132-R158 PolarHBondContact ND2-O 2.76Å; N132-M193 HydrophobicContact CB-CB 4.36Å; N132-Q194 PolarHBondContact N-O 3.32Å
133S85.1Confident88.8Confident50 Ų5032.4 Ų32.435%0.3517%0.169SC..SBendtrans-89.7162.7176.474.50000111.8D135 D136 M137S133-D135 PolarHBondContact O-N 2.84Å; S133-D136 PolarHBondContact N-OD2 3.48Å; S133-D136 PolarHBondContact O-N 2.93Å; S133-D136 PolarHBondContact OG-OD2 3.44Å; S133-M137 PolarHBondContact O-N 3.34Å
134D83.3Confident89Confident148 Ų14833.5 Ų33.579%0.79117%0.172SC*.G310 helixtrans-59.2-30.7176.1-64.8-31.9000112D136 M137D134-D136 PolarHBondContact O-N 3.46Å; D134-M137 WeakPolarHBondContact O-CB 3.4Å; D134-M137 PolarHBondContact O-N 3.01Å
135D82.9Confident89Confident106 Ų10636.9 Ų36.957%0.56719%0.188SC*.G310 helixtrans-66.1-17.9176.8-81-32.7000114S133 Y138 K479S133-D135 PolarHBondContact O-N 2.84Å; D135-Y138 WeakPolarHBondContact O-CD1 3.27Å; D135-Y138 WeakPolarHBondContact O-CE1 3.24Å; D135-K479 PolarHBondContact O-NZ 2.89Å
136D85.7Confident88.8Confident5 Ų537 Ų373%0.02719%0.189CC..G310 helixtrans-101.1-14.3-178.1-59.2-54.9000112.7I129 G131 S133 D134 Y138 M139 M193I129-D136 HydrophobicContact CG2-CB 4.29Å; G131-D136 WeakPolarHBondContact CA-OD2 3.29Å; S133-D136 PolarHBondContact N-OD2 3.48Å; S133-D136 PolarHBondContact O-N 2.93Å; S133-D136 PolarHBondContact OG-OD2 3.44Å; D134-D136 PolarHBondContact O-N 3.46Å; D136-Y138 PolarHBondContact O-N 2.8Å; D136-Y138 VanDerWaalsContact O-N 3.17Å; D136-M139 HydrophobicContact CB-CE 3.69Å; D136-M139 WeakPolarHBondContact O-CB 3.4Å; D136-M139 PolarHBondContact O-N 2.81Å; D136-M193 HydrophobicContact CB-CE 3.66Å
137M87.4Confident88.6Confident73 Ų7337.8 Ų37.836%0.3619%0.193SC..Hα-helixtrans-56.2-34.2-176.2-77-87.8-77.900113S133 D134 M139 M140 E141 M193S133-M137 PolarHBondContact O-N 3.34Å; D134-M137 WeakPolarHBondContact O-CB 3.4Å; D134-M137 PolarHBondContact O-N 3.01Å; M137-M139 PolarHBondContact O-N 2.86Å; M137-M139 VanDerWaalsContact O-N 3.13Å; M137-M140 WeakPolarHBondContact O-CB 3.28Å; M137-M140 PolarHBondContact O-N 2.83Å; M137-E141 PolarHBondContact O-N 3.43Å; M137-M193 HydrophobicContact CG-CE 4.2Å; M137-M193 HydrophobicContact SD-CE 4.43Å; M137-M193 HydrophobicContact SD-SD 4.28Å
138Y89.9Confident88.3Confident42 Ų4238.9 Ų38.917%0.16520%0.204CC..Hα-helixtrans-55.7-32.517878.6-81.2000112.9E103 P105 D135 D136 E141 I142E103-Y138 PolarHBondContact N-OH 2.83Å; E103-Y138 PolarHBondContact O-OH 2.96Å; P105-Y138 HydrophobicContact CG-CD2 4.06Å; P105-Y138 HydrophobicContact CG-CE2 3.85Å; D135-Y138 WeakPolarHBondContact O-CD1 3.27Å; D135-Y138 WeakPolarHBondContact O-CE1 3.24Å; D136-Y138 PolarHBondContact O-N 2.8Å; D136-Y138 VanDerWaalsContact O-N 3.17Å; Y138-E141 PolarHBondContact O-N 3.38Å; Y138-I142 HydrophobicContact CD2-CD1 3.8Å; Y138-I142 HydrophobicContact CE2-CD1 4.36Å; Y138-I142 WeakPolarHBondContact O-CD1 3.34Å; Y138-I142 VanDerWaalsContact O-CG1 3.22Å; Y138-I142 WeakPolarHBondContact O-CG1 3.44Å; Y138-I142 PolarHBondContact O-N 3.41Å
139M89.7Confident87.9Confident0 Ų046.6 Ų46.60%023%0.233CC..Hα-helixtrans-67.6-39178.5-66.8-175.8-84.200111A100 E103 L108 I129 D136 M137 F143A100-M139 HydrophobicContact CB-SD 4.06Å; E103-M139 HydrophobicContact CB-SD 4.43Å; L108-M139 HydrophobicContact CD2-CB 3.77Å; L108-M139 HydrophobicContact CD2-CG 3.72Å; I129-M139 HydrophobicContact CD1-CB 3.67Å; I129-M139 HydrophobicContact CG1-CB 4.21Å; I129-M139 HydrophobicContact CG2-CE 3.4Å; I129-M139 VanDerWaalsContact CG2-CE 3.4Å; I129-M139 HydrophobicContact CG2-SD 4.22Å; D136-M139 HydrophobicContact CB-CE 3.69Å; D136-M139 WeakPolarHBondContact O-CB 3.4Å; D136-M139 PolarHBondContact O-N 2.81Å; M137-M139 PolarHBondContact O-N 2.86Å; M137-M139 VanDerWaalsContact O-N 3.13Å; M139-F143 PolarHBondContact O-N 3.39Å; M139-F143 VanDerWaalsContact O-N 3.11Å
140M90.4Very high87.3Confident9 Ų954.6 Ų54.64%0.04428%0.276CS..Hα-helixtrans-67.1-40.4175179.2-179.4-77.400111.3I129 M137 F143 K144 S154 V156 M193I129-M140 HydrophobicContact CD1-CB 4.07Å; M137-M140 WeakPolarHBondContact O-CB 3.28Å; M137-M140 PolarHBondContact O-N 2.83Å; M140-F143 WeakPolarHBondContact O-CB 3.28Å; M140-F143 PolarHBondContact O-N 3.47Å; M140-K144 PolarHBondContact O-N 2.92Å; M140-S154 VanDerWaalsContact SD-CB 3.54Å; M140-V156 HydrophobicContact CE-CG2 3.81Å; M140-V156 HydrophobicContact SD-CG2 4.24Å; M140-M193 HydrophobicContact CB-SD 3.87Å; M140-M193 HydrophobicContact CE-CB 4.1Å; M140-M193 HydrophobicContact CE-CG 3.46Å; M140-M193 VanDerWaalsContact CE-CG 3.46Å; M140-M193 HydrophobicContact CE-SD 3.25Å; M140-M193 WeakPolarHBondContact CE-SD 3.22Å; M140-M193 HydrophobicContact CG-SD 4.47Å; M140-M193 HydrophobicContact SD-SD 3.91Å
141E91.1Very high87.1Confident110 Ų11062.1 Ų62.151%0.51431%0.309SS..Hα-helixtrans-62.1-46.5176.3-68.4-179170.600111.7M137 Y138 F143 K144 E145M137-E141 PolarHBondContact O-N 3.43Å; Y138-E141 PolarHBondContact O-N 3.38Å; E141-F143 PolarHBondContact O-N 2.89Å; E141-K144 PolarHBondContact O-N 3.38Å; E141-E145 WeakPolarHBondContact O-CB 3.46Å; E141-E145 PolarHBondContact O-N 3.33Å
142I90.4Very high87.2Confident12 Ų1262.5 Ų62.56%0.06231%0.311CS..Hα-helixtrans-58.4-39.9175.7-67.3165.1000110.6P105 L108 R109 L112 Y138 E145 V146P105-I142 HydrophobicContact CB-CD1 3.82Å; L108-I142 HydrophobicContact CD2-CB 4.44Å; L108-I142 HydrophobicContact CD2-CD1 4.26Å; L108-I142 HydrophobicContact CD2-CG2 4.39Å; L108-I142 HydrophobicContact CG-CG2 4.34Å; R109-I142 HydrophobicContact CB-CG2 4.09Å; L112-I142 HydrophobicContact CD1-CG2 3.94Å; Y138-I142 HydrophobicContact CD2-CD1 3.8Å; Y138-I142 HydrophobicContact CE2-CD1 4.36Å; Y138-I142 WeakPolarHBondContact O-CD1 3.34Å; Y138-I142 VanDerWaalsContact O-CG1 3.22Å; Y138-I142 WeakPolarHBondContact O-CG1 3.44Å; Y138-I142 PolarHBondContact O-N 3.41Å; I142-E145 PolarHBondContact O-N 2.86Å; I142-V146 HydrophobicContact CG2-CG2 4.37Å; I142-V146 WeakPolarHBondContact O-CG2 3.35Å; I142-V146 PolarHBondContact O-N 3.08Å
143F91.6Very high87.5Confident0 Ų062.2 Ų62.20%031%0.311CS..Hα-helixtrans-62.1-48176.2-176.5-89.6000112.7L112 V125 M127 M139 M140 E141 E145 V146 M147 C189 C191L112-F143 HydrophobicContact CD1-CB 4.26Å; L112-F143 HydrophobicContact CD1-CD2 4.27Å; L112-F143 HydrophobicContact CD2-CD2 3.67Å; L112-F143 HydrophobicContact CD2-CE2 4.11Å; V125-F143 HydrophobicContact CG1-CE2 4.24Å; M127-F143 HydrophobicContact CB-CD2 3.79Å; M127-F143 HydrophobicContact CB-CE2 3.68Å; M127-F143 HydrophobicContact CB-CZ 4.49Å; M127-F143 HydrophobicContact CE-CB 3.46Å; M127-F143 VanDerWaalsContact CE-CB 3.46Å; M127-F143 HydrophobicContact CE-CD2 3.7Å; M127-F143 HydrophobicContact CE-CG 3.81Å; M127-F143 HydrophobicContact CG-CD2 4.42Å; M127-F143 HydrophobicContact SD-CB 4.38Å; M127-F143 HydrophobicContact SD-CD2 3.77Å; M127-F143 HydrophobicContact SD-CG 4.46Å; M139-F143 PolarHBondContact O-N 3.39Å; M139-F143 VanDerWaalsContact O-N 3.11Å; M140-F143 WeakPolarHBondContact O-CB 3.28Å; M140-F143 PolarHBondContact O-N 3.47Å; E141-F143 PolarHBondContact O-N 2.89Å; F143-E145 VanDerWaalsContact C-N 3.31Å; F143-E145 PolarHBondContact O-N 3.26Å; F143-V146 PolarHBondContact O-N 3.15Å; F143-M147 HydrophobicContact CD1-CB 4.45Å; F143-M147 HydrophobicContact CD1-CG 4.2Å; F143-M147 HydrophobicContact CD2-CG 3.96Å; F143-M147 HydrophobicContact CE1-CB 4.25Å; F143-M147 HydrophobicContact CE1-CG 4.04Å; F143-M147 HydrophobicContact CE2-CE 4.43Å; F143-M147 HydrophobicContact CE2-CG 3.77Å; F143-M147 HydrophobicContact CG-CG 4.19Å; F143-M147 HydrophobicContact CZ-CB 4.43Å; F143-M147 HydrophobicContact CZ-CE 4.42Å; F143-M147 HydrophobicContact CZ-CG 3.82Å; F143-M147 VanDerWaalsContact O-CB 3.25Å; F143-M147 WeakPolarHBondContact O-CB 3.39Å; F143-M147 VanDerWaalsContact O-CG 3.3Å; F143-M147 WeakPolarHBondContact O-CG 3.44Å; F143-M147 PolarHBondContact O-N 3.23Å; F143-C189 HydrophobicContact CE1-CB 4.47Å; F143-C189 HydrophobicContact CZ-CB 4.32Å; F143-C191 HydrophobicContact CB-CB 4.49Å; F143-C191 HydrophobicContact CD1-CB 3.52Å; F143-C191 HydrophobicContact CE1-CB 3.74Å; F143-C191 HydrophobicContact CG-CB 3.96Å; F143-C191 HydrophobicContact CZ-CB 4.36Å
144K91.5Very high87.7Confident47 Ų4761.5 Ų61.520%0.20431%0.306CS..Hα-helixtrans-61.3-41.8177.4-71.2-178.7178.5178.30111.8M140 E141 G148 W149 S154M140-K144 PolarHBondContact O-N 2.92Å; E141-K144 PolarHBondContact O-N 3.38Å; K144-G148 CarbonylContact O-C 3.5Å; K144-G148 VanDerWaalsContact O-CA 3.24Å; K144-G148 WeakPolarHBondContact O-CA 3.45Å; K144-G148 PolarHBondContact O-N 2.74Å; K144-W149 HydrophobicContact CB-CD2 4.07Å; K144-W149 HydrophobicContact CB-CE3 4.06Å; K144-W149 HydrophobicContact CB-CH2 4.38Å; K144-W149 HydrophobicContact CB-CZ2 4.38Å; K144-W149 HydrophobicContact CB-CZ3 4.23Å; K144-W149 HydrophobicContact CD-CE3 3.85Å; K144-W149 HydrophobicContact CD-CH2 4.31Å; K144-W149 HydrophobicContact CD-CZ3 3.66Å; K144-W149 PolarHBondContact O-N 3.07Å; K144-S154 WeakPolarHBondContact CE-OG 3.44Å; K144-S154 PolarHBondContact NZ-OG 3.39Å
145E91.5Very high87.9Confident99 Ų9956.1 Ų56.146%0.46328%0.275SS..Hα-helixtrans-61.7-47.3178.7-168-164.4149.400111.7R109 E141 I142 F143R109-E145 IonicContact CZ-OE1 3.57Å; R109-E145 IonicContact CZ-OE2 3.73Å; R109-E145 VanDerWaalsContact CZ-OE2 3.26Å; R109-E145 IonicContact NH1-OE1 2.99Å; R109-E145 PolarHBondContact NH1-OE1 2.9Å; R109-E145 IonicContact NH1-OE2 3.42Å; R109-E145 PolarHBondContact NH1-OE2 3.06Å; R109-E145 IonicContact NH2-OE1 3.36Å; R109-E145 PolarHBondContact NH2-OE1 2.87Å; R109-E145 IonicContact NH2-OE2 2.67Å; R109-E145 PolarHBondContact NH2-OE2 3.43Å; E141-E145 WeakPolarHBondContact O-CB 3.46Å; E141-E145 PolarHBondContact O-N 3.33Å; I142-E145 PolarHBondContact O-N 2.86Å; F143-E145 VanDerWaalsContact C-N 3.31Å; F143-E145 PolarHBondContact O-N 3.26Å
146V89.4Confident88.2Confident11 Ų1154.2 Ų54.27%0.06727%0.267CS..Hα-helixtrans-76-43.6-176.4177.20000112R109 L112 V113 K116 I142 F143R109-V146 HydrophobicContact CG-CG2 4.05Å; L112-V146 HydrophobicContact CB-CB 4.08Å; L112-V146 HydrophobicContact CB-CG1 3.72Å; L112-V146 HydrophobicContact CB-CG2 4.3Å; V113-V146 HydrophobicContact CG2-CG1 3.87Å; V113-V146 HydrophobicContact CG2-CG2 4.37Å; K116-V146 WeakPolarHBondContact CD-O 3.2Å; K116-V146 PolarHBondContact NZ-O 3.25Å; I142-V146 HydrophobicContact CG2-CG2 4.37Å; I142-V146 WeakPolarHBondContact O-CG2 3.35Å; I142-V146 PolarHBondContact O-N 3.08Å; F143-V146 PolarHBondContact O-N 3.15Å
147M88.7Confident88.1Confident16 Ų1654 Ų548%0.07927%0.266CS..Hα-helixtrans-82.8-16.1-175.7-57.6-60.3-88.200112.9V125 F143 C189V125-M147 HydrophobicContact CB-CE 3.62Å; V125-M147 HydrophobicContact CG1-CE 3.65Å; V125-M147 HydrophobicContact CG2-CE 3.79Å; F143-M147 HydrophobicContact CD1-CB 4.45Å; F143-M147 HydrophobicContact CD1-CG 4.2Å; F143-M147 HydrophobicContact CD2-CG 3.96Å; F143-M147 HydrophobicContact CE1-CB 4.25Å; F143-M147 HydrophobicContact CE1-CG 4.04Å; F143-M147 HydrophobicContact CE2-CE 4.43Å; F143-M147 HydrophobicContact CE2-CG 3.77Å; F143-M147 HydrophobicContact CG-CG 4.19Å; F143-M147 HydrophobicContact CZ-CB 4.43Å; F143-M147 HydrophobicContact CZ-CE 4.42Å; F143-M147 HydrophobicContact CZ-CG 3.82Å; F143-M147 VanDerWaalsContact O-CB 3.25Å; F143-M147 WeakPolarHBondContact O-CB 3.39Å; F143-M147 VanDerWaalsContact O-CG 3.3Å; F143-M147 WeakPolarHBondContact O-CG 3.44Å; F143-M147 PolarHBondContact O-N 3.23Å; M147-C189 HydrophobicContact CB-CB 4.45Å; M147-C189 HydrophobicContact CE-CB 4.25Å
148G86.4Confident87.7Confident23 Ų2359.6 Ų59.624%0.23728%0.283CS..  trans96124.917800000112.1K144 D150 K151 S152K144-G148 CarbonylContact O-C 3.5Å; K144-G148 VanDerWaalsContact O-CA 3.24Å; K144-G148 WeakPolarHBondContact O-CA 3.45Å; K144-G148 PolarHBondContact O-N 2.74Å; G148-D150 VanDerWaalsContact C-N 3.29Å; G148-D150 PolarHBondContact O-N 3.43Å; G148-K151 PolarHBondContact O-N 3.34Å; G148-S152 WeakPolarHBondContact O-CB 3.22Å; G148-S152 PolarHBondContact O-N 3.23Å; G148-S152 PolarHBondContact O-OG 2.94Å
149W82.8Confident87.4Confident163 Ų16357.6 Ų57.662%0.61728%0.275SS*.THydrogen-bonded Turntrans-52.1-41.6-175.5-66.987000113.9K144K144-W149 HydrophobicContact CB-CD2 4.07Å; K144-W149 HydrophobicContact CB-CE3 4.06Å; K144-W149 HydrophobicContact CB-CH2 4.38Å; K144-W149 HydrophobicContact CB-CZ2 4.38Å; K144-W149 HydrophobicContact CB-CZ3 4.23Å; K144-W149 HydrophobicContact CD-CE3 3.85Å; K144-W149 HydrophobicContact CD-CH2 4.31Å; K144-W149 HydrophobicContact CD-CZ3 3.66Å; K144-W149 PolarHBondContact O-N 3.07Å
150D79Confident86.9Confident168 Ų16857.6 Ų57.690%0.89828%0.275SS*.THydrogen-bonded Turntrans-80.8-16.5-178.1-53-44.2000113.8G148G148-D150 VanDerWaalsContact C-N 3.29Å; G148-D150 PolarHBondContact O-N 3.43Å
151K81.7Confident86.3Confident163 Ų16358.9 Ų58.971%0.70928%0.28SS*.THydrogen-bonded Turntrans-105.3-18.7-174.2-65.9-179.6-178.9175.80112.8G148G148-K151 PolarHBondContact O-N 3.34Å
152S87.8Confident85.7Confident10 Ų1057.1 Ų57.17%0.0727%0.272CS..EExtended strand (participates in β ladder)trans-100.9133179.965.90000111.4G148 C189G148-S152 WeakPolarHBondContact O-CB 3.22Å; G148-S152 PolarHBondContact O-N 3.23Å; G148-S152 PolarHBondContact O-OG 2.94Å; S152-C189 WeakPolarHBondContact CA-O 3.34Å
153V90.7Very high85.1Confident51 Ų5159.7 Ų59.731%0.30929%0.287SS..EExtended strand (participates in β ladder)trans-106.6135.2170.7-176.90000109.3T183 N187 C189 V190 C191V153-T183 HydrophobicContact CB-CG2 4.12Å; V153-T183 HydrophobicContact CG1-CG2 3.53Å; V153-N187 HydrophobicContact CB-CB 4.49Å; V153-N187 HydrophobicContact CG2-CB 4.12Å; V153-N187 VanDerWaalsContact CG2-CG 3.43Å; V153-N187 WeakPolarHBondContact CG2-OD1 3.22Å; V153-C189 PolarHBondContact N-O 3.48Å; V153-V190 CarbonylContact O-C 3.52Å; V153-V190 VanDerWaalsContact O-CA 3.3Å; V153-V190 WeakPolarHBondContact O-CA 3.37Å; V153-C191 PolarHBondContact O-N 3.37Å
154S89.1Confident84.4Confident36 Ų3664.1 Ų64.125%0.25231%0.307SS..EExtended strand (participates in β ladder)trans-121.4138.6179.466.50000110.9M140 K144 C191M140-S154 VanDerWaalsContact SD-CB 3.54Å; K144-S154 WeakPolarHBondContact CE-OG 3.44Å; K144-S154 PolarHBondContact NZ-OG 3.39Å; S154-C191 CarbonylContact C-O 3.56Å; S154-C191 VanDerWaalsContact CA-O 3.23Å; S154-C191 WeakPolarHBondContact CA-O 3.25Å
155Y88.9Confident83.4Confident35 Ų3562.2 Ų62.214%0.13730%0.3CS..EExtended strand (participates in β ladder)trans-133.1129.6175.6-177.6-108.6000110.5W157 S176 Q179 V180 C191 I192 M193Y155-W157 HydrophobicContact CD1-CB 3.93Å; Y155-W157 HydrophobicContact CE1-CB 3.63Å; Y155-W157 AromaticContact CE1-CD1 3.97Å; Y155-W157 AromaticContact CE1-CG 3.9Å; Y155-W157 HydrophobicContact CE1-CG 3.9Å; Y155-S176 WeakPolarHBondContact OH-CB 3.43Å; Y155-S176 PolarHBondContact OH-OG 3.15Å; Y155-Q179 HydrophobicContact CD2-CG 4.36Å; Y155-Q179 HydrophobicContact CE2-CG 3.96Å; Y155-V180 HydrophobicContact CD1-CG2 3.67Å; Y155-V180 HydrophobicContact CE1-CG2 3.57Å; Y155-C191 PolarHBondContact N-O 2.9Å; Y155-I192 WeakPolarHBondContact O-CA 3.33Å; Y155-M193 PolarHBondContact O-N 2.88Å
156V88.1Confident82.4Confident65 Ų6562.8 Ų62.839%0.39431%0.313SS..EExtended strand (participates in β ladder)trans-96.5103.5173-177.70000107.7N132 M140 M193N132-V156 HydrophobicContact CB-CG1 4.24Å; M140-V156 HydrophobicContact CE-CG2 3.81Å; M140-V156 HydrophobicContact SD-CG2 4.24Å; V156-M193 HydrophobicContact CG1-CB 4.4Å; V156-M193 HydrophobicContact CG2-SD 4.09Å
157W83.5Confident81.4Confident0 Ų071.9 Ų71.90%036%0.355CS..  trans-87.4120.7176.1-165.417.1000109.5N132 Y155 S159 Y161 Y173 L177 V180 I192 M193 Q194 T205N132-W157 PolarHBondContact ND2-O 3.48Å; Y155-W157 HydrophobicContact CD1-CB 3.93Å; Y155-W157 HydrophobicContact CE1-CB 3.63Å; Y155-W157 AromaticContact CE1-CD1 3.97Å; Y155-W157 AromaticContact CE1-CG 3.9Å; Y155-W157 HydrophobicContact CE1-CG 3.9Å; W157-S159 VanDerWaalsContact CD2-O 3.24Å; W157-S159 PolarHBondContact O-N 3.28Å; W157-Y161 HydrophobicContact CH2-CD1 4.34Å; W157-Y161 AromaticContact CH2-CD2 3.5Å; W157-Y161 HydrophobicContact CH2-CD2 3.5Å; W157-Y161 VanDerWaalsContact CH2-CD2 3.5Å; W157-Y161 AromaticContact CH2-CE2 3.85Å; W157-Y161 HydrophobicContact CH2-CE2 3.85Å; W157-Y161 AromaticContact CH2-CG 3.77Å; W157-Y161 HydrophobicContact CH2-CG 3.77Å; W157-Y161 VanDerWaalsContact CH2-N 3.28Å; W157-Y161 AromaticContact CZ3-CD2 3.56Å; W157-Y161 HydrophobicContact CZ3-CD2 3.56Å; W157-Y161 AromaticContact CZ3-CE2 3.81Å; W157-Y161 HydrophobicContact CZ3-CE2 3.81Å; W157-Y161 HydrophobicContact CZ3-CG 4.28Å; W157-Y173 HydrophobicContact CZ2-CE2 4.01Å; W157-L177 HydrophobicContact CH2-CD2 3.52Å; W157-L177 HydrophobicContact CH2-CG 4.49Å; W157-L177 HydrophobicContact CZ2-CD2 3.47Å; W157-L177 VanDerWaalsContact CZ2-CD2 3.47Å; W157-L177 HydrophobicContact CZ2-CG 3.97Å; W157-V180 HydrophobicContact CD2-CG2 3.99Å; W157-V180 HydrophobicContact CE3-CG2 4.07Å; W157-V180 HydrophobicContact CG-CG2 4.24Å; W157-I192 HydrophobicContact CB-CG2 4.49Å; W157-M193 WeakPolarHBondContact CA-O 3.28Å; W157-M193 WeakPolarHBondContact CB-O 3.32Å; W157-M193 PolarHBondContact N-O 3.47Å; W157-Q194 HydrophobicContact CE3-CB 4.16Å; W157-T205 HydrophobicContact CZ3-CG2 4.15Å
158R80.4Confident80.8Confident192 Ų19272.7 Ų72.773%0.72536%0.358SS*.SBendtrans-67.5-18.2177.6-67.1-175.8177.8-174.5-0.4112.9N132N132-R158 WeakPolarHBondContact ND2-CA 3.27Å; N132-R158 PolarHBondContact ND2-O 2.76Å
159S82Confident80.5Confident0 Ų075.8 Ų75.80%037%0.372CS..SBendtrans-120.9-178.6-173.8-56.40000110.3W157 G165 E168 K195W157-S159 VanDerWaalsContact CD2-O 3.24Å; W157-S159 PolarHBondContact O-N 3.28Å; S159-G165 WeakPolarHBondContact OG-CA 3.39Å; S159-G165 PolarHBondContact OG-N 3.14Å; S159-E168 PolarHBondContact OG-OE2 3.21Å; S159-K195 PolarHBondContact O-N 3.18Å
160N80.1Confident80.3Confident0 Ų073.3 Ų73.30%037%0.371CS..  trans-132.8-179.1162.364.335.8000108.8H162 V163 Y173 Q194 K195 E201N160-H162 PolarHBondContact O-N 3.29Å; N160-H162 PolarHBondContact OD1-N 3.47Å; N160-H162 VanDerWaalsContact OD1-N 3.12Å; N160-V163 PolarHBondContact N-O 3.25Å; N160-V163 VanDerWaalsContact OD1-CA 3.28Å; N160-V163 WeakPolarHBondContact OD1-CA 3.38Å; N160-V163 WeakPolarHBondContact OD1-CB 3.47Å; N160-V163 PolarHBondContact OD1-N 2.85Å; N160-V163 PolarHBondContact OD1-O 3.21Å; N160-Y173 WeakPolarHBondContact O-CE2 3.31Å; N160-Y173 PolarHBondContact O-OH 3.44Å; N160-Y173 VanDerWaalsContact O-OH 3.11Å; N160-Q194 HydrophobicContact CB-CB 4.33Å; N160-K195 HydrophobicContact CB-CB 4.48Å; N160-K195 PolarHBondContact ND2-O 2.87Å; N160-E201 HydrophobicContact CB-CG 3.95Å; N160-E201 PolarHBondContact OD1-OE1 2.87Å
161Y77.3Confident80.3Confident35 Ų3572.7 Ų72.714%0.13736%0.363CS..SBendtrans-65.5-21.4-173.6-89.3-86.4000113.3W157 Y173 L177 E201 Y204 T205 K208W157-Y161 HydrophobicContact CH2-CD1 4.34Å; W157-Y161 AromaticContact CH2-CD2 3.5Å; W157-Y161 HydrophobicContact CH2-CD2 3.5Å; W157-Y161 VanDerWaalsContact CH2-CD2 3.5Å; W157-Y161 AromaticContact CH2-CE2 3.85Å; W157-Y161 HydrophobicContact CH2-CE2 3.85Å; W157-Y161 AromaticContact CH2-CG 3.77Å; W157-Y161 HydrophobicContact CH2-CG 3.77Å; W157-Y161 VanDerWaalsContact CH2-N 3.28Å; W157-Y161 AromaticContact CZ3-CD2 3.56Å; W157-Y161 HydrophobicContact CZ3-CD2 3.56Å; W157-Y161 AromaticContact CZ3-CE2 3.81Å; W157-Y161 HydrophobicContact CZ3-CE2 3.81Å; W157-Y161 HydrophobicContact CZ3-CG 4.28Å; Y161-Y173 WeakPolarHBondContact CA-OH 3.41Å; Y161-Y173 PolarHBondContact O-OH 3.21Å; Y161-L177 HydrophobicContact CD1-CD2 3.47Å; Y161-L177 VanDerWaalsContact CD1-CD2 3.47Å; Y161-L177 HydrophobicContact CE1-CD2 3.33Å; Y161-L177 HydrophobicContact CG-CD2 4.14Å; Y161-E201 PolarHBondContact N-OE1 3.01Å; Y161-Y204 HydrophobicContact CD1-CE1 4.04Å; Y161-Y204 HydrophobicContact CD2-CD1 4.14Å; Y161-Y204 HydrophobicContact CD2-CE1 4.26Å; Y161-Y204 HydrophobicContact CG-CD1 4.04Å; Y161-Y204 AromaticContact CG-CE1 3.78Å; Y161-Y204 HydrophobicContact CG-CE1 3.78Å; Y161-T205 HydrophobicContact CD2-CG2 4.18Å; Y161-T205 WeakPolarHBondContact CD2-OG1 3.21Å; Y161-T205 HydrophobicContact CE2-CG2 3.88Å; Y161-K208 HydrophobicContact CD1-CG 4.27Å; Y161-K208 HydrophobicContact CE1-CB 4.24Å; Y161-K208 HydrophobicContact CE1-CG 3.61Å; Y161-K208 HydrophobicContact CE2-CB 4.23Å; Y161-K208 HydrophobicContact CE2-CG 4.49Å
162H78.3Confident80.2Confident74 Ų7467.1 Ų67.134%0.34335%0.345SS..SBendtrans-116.5-13.6-173.8-60.591.4000114.1N160 E201 Y204 Y310N160-H162 PolarHBondContact O-N 3.29Å; N160-H162 PolarHBondContact OD1-N 3.47Å; N160-H162 VanDerWaalsContact OD1-N 3.12Å; H162-E201 IonicContact CE1-OE1 3.94Å; H162-E201 IonicContact CE1-OE2 3.67Å; H162-E201 IonicContact CG-OE1 3.84Å; H162-E201 IonicContact CG-OE2 3.69Å; H162-E201 PolarHBondContact N-OE1 2.85Å; H162-E201 VanDerWaalsContact ND1-CD 3.27Å; H162-E201 IonicContact ND1-OE1 2.95Å; H162-E201 PolarHBondContact ND1-OE1 3.41Å; H162-E201 IonicContact ND1-OE2 2.83Å; H162-E201 PolarHBondContact ND1-OE2 3.08Å; H162-Y204 AromaticContact CE1-CD1 3.63Å; H162-Y204 AromaticContact CE1-CE1 3.55Å; H162-Y204 AromaticContact CE1-CZ 3.84Å; H162-Y310 AromaticContact CD2-CD1 3.93Å; H162-Y310 AromaticContact CD2-CE1 3.35Å; H162-Y310 WeakPolarHBondContact CD2-CE1 3.41Å; H162-Y310 AromaticContact CD2-CZ 3.83Å; H162-Y310 AromaticContact CE1-CD1 3.55Å; H162-Y310 AromaticContact CE1-CD2 3.8Å; H162-Y310 AromaticContact CE1-CE1 3.31Å; H162-Y310 WeakPolarHBondContact CE1-CE1 2.96Å; H162-Y310 AromaticContact CE1-CE2 3.54Å; H162-Y310 AromaticContact CE1-CG 3.8Å; H162-Y310 AromaticContact CE1-CZ 3.28Å; H162-Y310 AromaticContact CG-CE1 3.58Å; H162-Y310 AromaticContact CG-CZ 3.55Å; H162-Y310 VanDerWaalsContact CG-OH 3.32Å; H162-Y310 AromaticContact ND1-CE1 3.57Å; H162-Y310 AromaticContact ND1-CE2 3.69Å; H162-Y310 AromaticContact ND1-CZ 3.21Å; H162-Y310 PolarHBondContact ND1-OH 2.95Å; H162-Y310 AromaticContact NE2-CD1 3.3Å; H162-Y310 VanDerWaalsContact NE2-CD1 3.3Å; H162-Y310 WeakPolarHBondContact NE2-CD1 3.37Å; H162-Y310 AromaticContact NE2-CE1 3.18Å; H162-Y310 WeakPolarHBondContact NE2-CE1 3.4Å; H162-Y310 AromaticContact NE2-CG 3.93Å; H162-Y310 AromaticContact NE2-CZ 3.69Å
163V77.4Confident79.9Confident65 Ų6568.2 Ų68.239%0.39435%0.347SS..SBendtrans-136.5117.6-174-173.30000109.4N160 K195N160-V163 PolarHBondContact N-O 3.25Å; N160-V163 VanDerWaalsContact OD1-CA 3.28Å; N160-V163 WeakPolarHBondContact OD1-CA 3.38Å; N160-V163 WeakPolarHBondContact OD1-CB 3.47Å; N160-V163 PolarHBondContact OD1-N 2.85Å; N160-V163 PolarHBondContact OD1-O 3.21Å; V163-K195 HydrophobicContact CG1-CD 4Å
164K77.4Confident79.4Confident93 Ų9367.9 Ų67.940%0.40435%0.35SS..PPolyproline II helixtrans-71.3150.4174.8-63.4179.2-176.3170.70111.8D170 Y173 K195K164-D170 IonicContact NZ-OD1 2.56Å; K164-D170 PolarHBondContact NZ-OD1 3.03Å; K164-Y173 HydrophobicContact CG-CD2 4.06Å; K164-Y173 HydrophobicContact CG-CE2 4.27Å; K164-Y173 HydrophobicContact CG-CG 4.24Å; K164-K195 PolarHBondContact O-NZ 3.26Å
165G71.8Confident79.1Confident7 Ų772.6 Ų72.67%0.07237%0.368CS..PPolyproline II helixtrans-66.3154.3170.300000110.4S159 E167 E168S159-G165 WeakPolarHBondContact OG-CA 3.39Å; S159-G165 PolarHBondContact OG-N 3.14Å; G165-E167 PolarHBondContact O-N 3.4Å; G165-E168 PolarHBondContact O-N 3.31Å
166P68.8Low78.8Confident111 Ų11171.5 Ų71.572%0.72137%0.365SS*.THydrogen-bonded Turntrans-58.8133172.625.4-30.4000109.5E168P166-E168 VanDerWaalsContact C-N 3.28Å; P166-E168 PolarHBondContact O-N 3.26Å
167E69.9Low78.5Confident203 Ų20370 Ų7095%0.94936%0.355SS*.THydrogen-bonded Turntrans65.916.3175.6-53.1177.517700116.2G165G165-E167 PolarHBondContact O-N 3.4Å
168E75.8Confident78.6Confident33 Ų3375 Ų7515%0.15438%0.378CS..  trans-85.1131.3177.7-160.4177.5-145.300112.4S159 G165 P166 S172 S176S159-E168 PolarHBondContact OG-OE2 3.21Å; G165-E168 PolarHBondContact O-N 3.31Å; P166-E168 VanDerWaalsContact C-N 3.28Å; P166-E168 PolarHBondContact O-N 3.26Å; E168-S172 WeakPolarHBondContact CG-OG 3.45Å; E168-S172 PolarHBondContact OE1-OG 3.21Å; E168-S176 PolarHBondContact OE1-OG 2.93Å
169T80.1Confident78.8Confident87 Ų8770.2 Ų70.253%0.53437%0.365SS..  trans-77158.7173.960.60000111.7E171 S172 Y173T169-E171 PolarHBondContact O-N 3.41Å; T169-S172 PolarHBondContact O-N 3.3Å; T169-S172 WeakPolarHBondContact OG1-CB 3.25Å; T169-S172 PolarHBondContact OG1-N 2.62Å; T169-Y173 WeakPolarHBondContact O-CB 3.33Å; T169-Y173 PolarHBondContact O-N 3.32Å
170D78.8Confident79Confident111 Ų11170.2 Ų70.259%0.59437%0.365SS*.Hα-helixtrans-59-34.3178.1-72.2-15.6000112.9K164 A174K164-D170 IonicContact NZ-OD1 2.56Å; K164-D170 PolarHBondContact NZ-OD1 3.03Å; D170-A174 WeakPolarHBondContact O-CB 3.21Å; D170-A174 PolarHBondContact O-N 3.09Å
171E78.9Confident79.3Confident156 Ų15672 Ų7273%0.72938%0.377SS*.Hα-helixtrans-69.1-48.8176.6-66177.7173.500111.5T169 Y173 A174 E175T169-E171 PolarHBondContact O-N 3.41Å; E171-Y173 VanDerWaalsContact C-N 3.26Å; E171-Y173 PolarHBondContact O-N 3.22Å; E171-A174 PolarHBondContact O-N 3.19Å; E171-A174 VanDerWaalsContact O-N 3.17Å; E171-E175 WeakPolarHBondContact O-CG 3.32Å; E171-E175 PolarHBondContact O-N 3.33Å
172S79.5Confident79.8Confident46 Ų4678.3 Ų78.332%0.32240%0.4SS..Hα-helixtrans-60.1-37.6176.1178.40000112.1E168 T169 S176E168-S172 WeakPolarHBondContact CG-OG 3.45Å; E168-S172 PolarHBondContact OE1-OG 3.21Å; T169-S172 PolarHBondContact O-N 3.3Å; T169-S172 WeakPolarHBondContact OG1-CB 3.25Å; T169-S172 PolarHBondContact OG1-N 2.62Å; S172-S176 WeakPolarHBondContact O-CB 3.42Å; S172-S176 PolarHBondContact O-N 3.18Å; S172-S176 PolarHBondContact O-OG 3.23Å
173Y81.1Confident80.2Confident32 Ų3275.6 Ų75.613%0.12539%0.389CS..Hα-helixtrans-65.7-45.4175.7179-109.7000111.8W157 N160 Y161 K164 T169 E171 E175 S176 L177W157-Y173 HydrophobicContact CZ2-CE2 4.01Å; N160-Y173 WeakPolarHBondContact O-CE2 3.31Å; N160-Y173 PolarHBondContact O-OH 3.44Å; N160-Y173 VanDerWaalsContact O-OH 3.11Å; Y161-Y173 WeakPolarHBondContact CA-OH 3.41Å; Y161-Y173 PolarHBondContact O-OH 3.21Å; K164-Y173 HydrophobicContact CG-CD2 4.06Å; K164-Y173 HydrophobicContact CG-CE2 4.27Å; K164-Y173 HydrophobicContact CG-CG 4.24Å; T169-Y173 WeakPolarHBondContact O-CB 3.33Å; T169-Y173 PolarHBondContact O-N 3.32Å; E171-Y173 VanDerWaalsContact C-N 3.26Å; E171-Y173 PolarHBondContact O-N 3.22Å; Y173-E175 VanDerWaalsContact C-N 3.35Å; Y173-E175 PolarHBondContact O-N 3.37Å; Y173-S176 PolarHBondContact O-N 3.43Å; Y173-L177 HydrophobicContact CD1-CD1 3.85Å; Y173-L177 HydrophobicContact CE1-CD1 3.37Å; Y173-L177 HydrophobicContact CE1-CG 4.22Å; Y173-L177 HydrophobicContact CE2-CD1 4.38Å; Y173-L177 HydrophobicContact CE2-CG 4.37Å; Y173-L177 WeakPolarHBondContact O-CG 3.5Å; Y173-L177 PolarHBondContact O-N 3.49Å
174A80.3Confident80.7Confident44 Ų4472.5 Ų72.536%0.36437%0.37SS..Hα-helixtrans-63.7-39.3176.800000112.2D170 E171 L177 Q178D170-A174 WeakPolarHBondContact O-CB 3.21Å; D170-A174 PolarHBondContact O-N 3.09Å; E171-A174 PolarHBondContact O-N 3.19Å; E171-A174 VanDerWaalsContact O-N 3.17Å; A174-L177 PolarHBondContact O-N 2.85Å; A174-Q178 WeakPolarHBondContact O-CG 3.37Å; A174-Q178 PolarHBondContact O-N 3.45Å; A174-Q178 VanDerWaalsContact O-N 3.07Å
175E83.6Confident81.1Confident135 Ų13572.3 Ų72.363%0.63137%0.373SS*.Hα-helixtrans-63.1-46.7173.8-74.7-174.2170.100111.8E171 Y173 L177 Q178 Q179E171-E175 WeakPolarHBondContact O-CG 3.32Å; E171-E175 PolarHBondContact O-N 3.33Å; Y173-E175 VanDerWaalsContact C-N 3.35Å; Y173-E175 PolarHBondContact O-N 3.37Å; E175-L177 VanDerWaalsContact C-N 3.33Å; E175-L177 PolarHBondContact O-N 2.67Å; E175-Q178 PolarHBondContact O-N 3.18Å; E175-Q179 WeakPolarHBondContact O-CB 3.15Å; E175-Q179 PolarHBondContact O-N 3.48Å
176S82.2Confident81.8Confident12 Ų1275 Ų758%0.08440%0.401CS..Hα-helixtrans-60.2-41.8177.7-630000112Y155 E168 S172 Y173 Q178 Q179 V180Y155-S176 WeakPolarHBondContact OH-CB 3.43Å; Y155-S176 PolarHBondContact OH-OG 3.15Å; E168-S176 PolarHBondContact OE1-OG 2.93Å; S172-S176 WeakPolarHBondContact O-CB 3.42Å; S172-S176 PolarHBondContact O-N 3.18Å; S172-S176 PolarHBondContact O-OG 3.23Å; Y173-S176 PolarHBondContact O-N 3.43Å; S176-Q178 PolarHBondContact O-N 3.2Å; S176-Q179 PolarHBondContact O-N 2.96Å; S176-V180 WeakPolarHBondContact O-CG2 3.16Å; S176-V180 PolarHBondContact O-N 3.49Å
177L82.3Confident82.7Confident35 Ų3572.5 Ų72.518%0.18338%0.381CS..Hα-helixtrans-60.4-44.8174.3-79.7170.6000112.7W157 Y161 Y173 A174 E175 Q179 S181W157-L177 HydrophobicContact CH2-CD2 3.52Å; W157-L177 HydrophobicContact CH2-CG 4.49Å; W157-L177 HydrophobicContact CZ2-CD2 3.47Å; W157-L177 VanDerWaalsContact CZ2-CD2 3.47Å; W157-L177 HydrophobicContact CZ2-CG 3.97Å; Y161-L177 HydrophobicContact CD1-CD2 3.47Å; Y161-L177 VanDerWaalsContact CD1-CD2 3.47Å; Y161-L177 HydrophobicContact CE1-CD2 3.33Å; Y161-L177 HydrophobicContact CG-CD2 4.14Å; Y173-L177 HydrophobicContact CD1-CD1 3.85Å; Y173-L177 HydrophobicContact CE1-CD1 3.37Å; Y173-L177 HydrophobicContact CE1-CG 4.22Å; Y173-L177 HydrophobicContact CE2-CD1 4.38Å; Y173-L177 HydrophobicContact CE2-CG 4.37Å; Y173-L177 WeakPolarHBondContact O-CG 3.5Å; Y173-L177 PolarHBondContact O-N 3.49Å; A174-L177 PolarHBondContact O-N 2.85Å; E175-L177 VanDerWaalsContact C-N 3.33Å; E175-L177 PolarHBondContact O-N 2.67Å; L177-Q179 VanDerWaalsContact C-N 3.31Å; L177-S181 PolarHBondContact O-N 3.37Å; L177-S181 VanDerWaalsContact O-N 3.13Å; L177-S181 PolarHBondContact O-OG 2.85Å
178Q83.8Confident83.5Confident103 Ų10369.6 Ų69.648%0.48137%0.366SS..Hα-helixtrans-65.5-38.6175.8-72-174.119.400111.1A174 E175 S176 S181 R182A174-Q178 WeakPolarHBondContact O-CG 3.37Å; A174-Q178 PolarHBondContact O-N 3.45Å; A174-Q178 VanDerWaalsContact O-N 3.07Å; E175-Q178 PolarHBondContact O-N 3.18Å; S176-Q178 PolarHBondContact O-N 3.2Å; Q178-S181 PolarHBondContact O-N 2.95Å; Q178-R182 WeakPolarHBondContact O-CB 3.33Å; Q178-R182 VanDerWaalsContact O-CG 3.24Å; Q178-R182 WeakPolarHBondContact O-CG 3.15Å; Q178-R182 PolarHBondContact O-N 2.86Å
179Q86.4Confident84.3Confident93 Ų9369.1 Ų69.144%0.43537%0.366SS..Hα-helixtrans-65.1-43.4178.3-173.8168.1500112Y155 E175 S176 L177 S181 R182 T183Y155-Q179 HydrophobicContact CD2-CG 4.36Å; Y155-Q179 HydrophobicContact CE2-CG 3.96Å; E175-Q179 WeakPolarHBondContact O-CB 3.15Å; E175-Q179 PolarHBondContact O-N 3.48Å; S176-Q179 PolarHBondContact O-N 2.96Å; L177-Q179 VanDerWaalsContact C-N 3.31Å; Q179-S181 VanDerWaalsContact C-N 3.33Å; Q179-S181 PolarHBondContact O-N 3.3Å; Q179-R182 PolarHBondContact O-N 2.94Å; Q179-T183 VanDerWaalsContact O-CB 3.28Å; Q179-T183 WeakPolarHBondContact O-CB 3.37Å; Q179-T183 PolarHBondContact O-N 3.14Å; Q179-T183 PolarHBondContact O-OG1 2.85Å
180V84.9Confident84.9Confident0 Ų065 Ų650%034%0.34CS..Hα-helixtrans-56.6-49.9173169.30000110.2Y155 W157 S176 T183 V184 I192 A209Y155-V180 HydrophobicContact CD1-CG2 3.67Å; Y155-V180 HydrophobicContact CE1-CG2 3.57Å; W157-V180 HydrophobicContact CD2-CG2 3.99Å; W157-V180 HydrophobicContact CE3-CG2 4.07Å; W157-V180 HydrophobicContact CG-CG2 4.24Å; S176-V180 WeakPolarHBondContact O-CG2 3.16Å; S176-V180 PolarHBondContact O-N 3.49Å; V180-T183 PolarHBondContact O-N 2.9Å; V180-V184 WeakPolarHBondContact O-CG2 3.46Å; V180-V184 PolarHBondContact O-N 3.3Å; V180-I192 HydrophobicContact CG1-CD1 3.82Å; V180-A209 HydrophobicContact CG1-CB 3.97Å
181S86.2Confident85.5Confident36 Ų3659.7 Ų59.725%0.25231%0.312SS..Hα-helixtrans-62.9-46.2-179.5-55.80000112L177 Q178 Q179 T183 V184 L185L177-S181 PolarHBondContact O-N 3.37Å; L177-S181 VanDerWaalsContact O-N 3.13Å; L177-S181 PolarHBondContact O-OG 2.85Å; Q178-S181 PolarHBondContact O-N 2.95Å; Q179-S181 VanDerWaalsContact C-N 3.33Å; Q179-S181 PolarHBondContact O-N 3.3Å; S181-T183 VanDerWaalsContact C-N 3.34Å; S181-T183 PolarHBondContact O-N 3.36Å; S181-V184 PolarHBondContact O-N 2.96Å; S181-L185 WeakPolarHBondContact O-CB 3.14Å; S181-L185 WeakPolarHBondContact O-CG 2.99Å; S181-L185 PolarHBondContact O-N 3.12Å
182R87.4Confident86.1Confident168 Ų16852.2 Ų52.263%0.63428%0.277SS*.Hα-helixtrans-61.4-42176.8-72.7175.5-161.4174.67.3111.7Q178 Q179 L185 G186Q178-R182 WeakPolarHBondContact O-CB 3.33Å; Q178-R182 VanDerWaalsContact O-CG 3.24Å; Q178-R182 WeakPolarHBondContact O-CG 3.15Å; Q178-R182 PolarHBondContact O-N 2.86Å; Q179-R182 PolarHBondContact O-N 2.94Å; R182-L185 PolarHBondContact O-N 3.34Å; R182-G186 PolarHBondContact O-N 2.79Å
183T87.9Confident86.7Confident17 Ų1750 Ų5010%0.10426%0.262CS..Hα-helixtrans-63.1-46.5179.8-58.40000111.1V153 Q179 V180 S181 N187 V190V153-T183 HydrophobicContact CB-CG2 4.12Å; V153-T183 HydrophobicContact CG1-CG2 3.53Å; Q179-T183 VanDerWaalsContact O-CB 3.28Å; Q179-T183 WeakPolarHBondContact O-CB 3.37Å; Q179-T183 PolarHBondContact O-N 3.14Å; Q179-T183 PolarHBondContact O-OG1 2.85Å; V180-T183 PolarHBondContact O-N 2.9Å; S181-T183 VanDerWaalsContact C-N 3.34Å; S181-T183 PolarHBondContact O-N 3.36Å; T183-N187 WeakPolarHBondContact O-CB 3.4Å; T183-N187 PolarHBondContact O-N 2.84Å; T183-N187 PolarHBondContact O-ND2 3.08Å; T183-V190 HydrophobicContact CG2-CG1 3.84Å; T183-V190 HydrophobicContact CG2-CG2 4.36Å
184V87.3Confident87Confident0 Ų048.5 Ų48.50%026%0.256CS..Hα-helixtrans-66.6-39.6178.4170.40000112K124 I126 V180 S181 V190 I192 A209 L210K124-V184 WeakPolarHBondContact CE-O 3.36Å; K124-V184 PolarHBondContact NZ-O 2.89Å; I126-V184 HydrophobicContact CD1-CG1 3.51Å; I126-V184 HydrophobicContact CG1-CG1 4.39Å; V180-V184 WeakPolarHBondContact O-CG2 3.46Å; V180-V184 PolarHBondContact O-N 3.3Å; S181-V184 PolarHBondContact O-N 2.96Å; V184-V190 HydrophobicContact CG2-CG1 3.99Å; V184-I192 HydrophobicContact CG2-CD1 3.63Å; V184-A209 HydrophobicContact CB-CB 4.05Å; V184-A209 HydrophobicContact CG1-CB 4.12Å; V184-A209 HydrophobicContact CG2-CB 3.81Å; V184-L210 HydrophobicContact CG1-CD2 4.13Å; V184-L210 HydrophobicContact CG1-CG 4.31Å
185L86.1Confident87.3Confident90 Ų9049.5 Ų49.547%0.47125%0.252SS..Hα-helixtrans-72.4-42.1-179.3-69.2172.7000112.2K124 S181 R182 S213K124-L185 PolarHBondContact NZ-O 2.73Å; K124-L185 VanDerWaalsContact NZ-O 3.07Å; S181-L185 WeakPolarHBondContact O-CB 3.14Å; S181-L185 WeakPolarHBondContact O-CG 2.99Å; S181-L185 PolarHBondContact O-N 3.12Å; R182-L185 PolarHBondContact O-N 3.34Å; L185-S213 VanDerWaalsContact CD2-CB 3.43Å
186G85.5Confident87.3Confident64 Ų6450.2 Ų50.266%0.6625%0.249SC*.Hα-helixtrans-78.1-20.1-174.500000115.8R182R182-G186 PolarHBondContact O-N 2.79Å
187N88.1Confident86.8Confident57 Ų5751.3 Ų51.331%0.30526%0.262SS..  trans-120.9155.3-172.6-61.3-72.9000113K124 V153 T183 V190K124-N187 VanDerWaalsContact CE-O 3.26Å; K124-N187 WeakPolarHBondContact CE-O 3.26Å; V153-N187 HydrophobicContact CB-CB 4.49Å; V153-N187 HydrophobicContact CG2-CB 4.12Å; V153-N187 VanDerWaalsContact CG2-CG 3.43Å; V153-N187 WeakPolarHBondContact CG2-OD1 3.22Å; T183-N187 WeakPolarHBondContact O-CB 3.4Å; T183-N187 PolarHBondContact O-N 2.84Å; T183-N187 PolarHBondContact O-ND2 3.08Å; N187-V190 HydrophobicContact CB-CG2 3.67Å
188K87.4Confident86.6Confident143 Ų14350.2 Ų50.262%0.62226%0.26SS*.SBendtrans-86.1-35.3177.2-70.2-174.2178.5178.80113.2K124 V125K124-K188 CarbonylContact C-O 3.58Å; K124-K188 WeakPolarHBondContact CA-O 3.49Å; V125-K188 PolarHBondContact N-O 3.46Å
189C91.5Very high86.4Confident22 Ų2247.7 Ų47.715%0.14925%0.247CC..EExtended strand (participates in β ladder)trans-121.7112.1-177.9-59.70000108.8V125 F143 M147 S152 V153V125-C189 CarbonylContact O-C 3.54Å; V125-C189 WeakPolarHBondContact O-CA 3.41Å; F143-C189 HydrophobicContact CE1-CB 4.47Å; F143-C189 HydrophobicContact CZ-CB 4.32Å; M147-C189 HydrophobicContact CB-CB 4.45Å; M147-C189 HydrophobicContact CE-CB 4.25Å; S152-C189 WeakPolarHBondContact CA-O 3.34Å; V153-C189 PolarHBondContact N-O 3.48Å
190V92.8Very high86.1Confident0 Ų044 Ų440%023%0.229CC..EExtended strand (participates in β ladder)trans-129.7134.6-173.5-179.40000111V125 I126 M127 V153 T183 V184 N187 I192V125-V190 PolarHBondContact O-N 3.3Å; I126-V190 CarbonylContact C-O 3.43Å; I126-V190 VanDerWaalsContact CA-O 3.31Å; I126-V190 WeakPolarHBondContact CA-O 3.46Å; M127-V190 PolarHBondContact N-O 3.34Å; V153-V190 CarbonylContact O-C 3.52Å; V153-V190 VanDerWaalsContact O-CA 3.3Å; V153-V190 WeakPolarHBondContact O-CA 3.37Å; T183-V190 HydrophobicContact CG2-CG1 3.84Å; T183-V190 HydrophobicContact CG2-CG2 4.36Å; V184-V190 HydrophobicContact CG2-CG1 3.99Å; N187-V190 HydrophobicContact CB-CG2 3.67Å; V190-I192 HydrophobicContact CG1-CD1 4.23Å; V190-I192 HydrophobicContact CG1-CG1 4Å
191C92.3Very high86Confident0 Ų044 Ų440%023%0.229CC..EExtended strand (participates in β ladder)trans-119123.6172-179.30000110M127 F143 V153 S154 Y155M127-C191 HydrophobicContact CE-CB 4.45Å; M127-C191 WeakPolarHBondContact CE-SG 3.26Å; M127-C191 CarbonylContact O-C 3.54Å; M127-C191 VanDerWaalsContact O-CA 3.27Å; M127-C191 WeakPolarHBondContact O-CA 3.45Å; F143-C191 HydrophobicContact CB-CB 4.49Å; F143-C191 HydrophobicContact CD1-CB 3.52Å; F143-C191 HydrophobicContact CE1-CB 3.74Å; F143-C191 HydrophobicContact CG-CB 3.96Å; F143-C191 HydrophobicContact CZ-CB 4.36Å; V153-C191 PolarHBondContact O-N 3.37Å; S154-C191 CarbonylContact C-O 3.56Å; S154-C191 VanDerWaalsContact CA-O 3.23Å; S154-C191 WeakPolarHBondContact CA-O 3.25Å; Y155-C191 PolarHBondContact N-O 2.9Å
192I92Very high86Confident0 Ų042.4 Ų42.40%022%0.218CC..EExtended strand (participates in β ladder)trans-117.1123.9177.7-62.5158.1000108.6M127 V128 I129 Y155 W157 V180 V184 V190M127-I192 PolarHBondContact O-N 3.28Å; V128-I192 CarbonylContact C-O 3.49Å; V128-I192 VanDerWaalsContact CA-O 3.29Å; V128-I192 WeakPolarHBondContact CA-O 3.49Å; V128-I192 HydrophobicContact CG1-CB 4.43Å; V128-I192 HydrophobicContact CG2-CB 4.37Å; V128-I192 HydrophobicContact CG2-CD1 4.47Å; I129-I192 PolarHBondContact N-O 2.95Å; Y155-I192 WeakPolarHBondContact O-CA 3.33Å; W157-I192 HydrophobicContact CB-CG2 4.49Å; V180-I192 HydrophobicContact CG1-CD1 3.82Å; V184-I192 HydrophobicContact CG2-CD1 3.63Å; V190-I192 HydrophobicContact CG1-CD1 4.23Å; V190-I192 HydrophobicContact CG1-CG1 4Å
193M90.9Very high85.9Confident0 Ų034.7 Ų34.70%019%0.189CC..EExtended strand (participates in β ladder)trans-95138.1163.8-72.1169.687.700108.2I129 G131 N132 D136 M137 M140 Y155 V156 W157I129-M193 HydrophobicContact CB-CG 3.88Å; I129-M193 HydrophobicContact CD1-CG 3.6Å; I129-M193 HydrophobicContact CD1-SD 4.33Å; I129-M193 HydrophobicContact CG1-CG 4.29Å; I129-M193 HydrophobicContact CG2-CG 4.27Å; G131-M193 WeakPolarHBondContact O-CE 3.44Å; N132-M193 HydrophobicContact CB-CB 4.36Å; D136-M193 HydrophobicContact CB-CE 3.66Å; M137-M193 HydrophobicContact CG-CE 4.2Å; M137-M193 HydrophobicContact SD-CE 4.43Å; M137-M193 HydrophobicContact SD-SD 4.28Å; M140-M193 HydrophobicContact CB-SD 3.87Å; M140-M193 HydrophobicContact CE-CB 4.1Å; M140-M193 HydrophobicContact CE-CG 3.46Å; M140-M193 VanDerWaalsContact CE-CG 3.46Å; M140-M193 HydrophobicContact CE-SD 3.25Å; M140-M193 WeakPolarHBondContact CE-SD 3.22Å; M140-M193 HydrophobicContact CG-SD 4.47Å; M140-M193 HydrophobicContact SD-SD 3.91Å; Y155-M193 PolarHBondContact O-N 2.88Å; V156-M193 HydrophobicContact CG1-CB 4.4Å; V156-M193 HydrophobicContact CG2-SD 4.09Å; W157-M193 WeakPolarHBondContact CA-O 3.28Å; W157-M193 WeakPolarHBondContact CB-O 3.32Å; W157-M193 PolarHBondContact N-O 3.47Å
194Q88.9Confident85.8Confident0 Ų034.4 Ų34.40%019%0.186CC..  trans-136.4166.9179.964.7173.741.600111.3V128 I129 G131 N132 W157 N160 T205V128-Q194 HydrophobicContact CG1-CG 4.18Å; I129-Q194 WeakPolarHBondContact O-CG 3.43Å; I129-Q194 PolarHBondContact O-N 3.28Å; I129-Q194 VanDerWaalsContact O-N 3.16Å; G131-Q194 CarbonylContact C-O 3.15Å; G131-Q194 VanDerWaalsContact CA-O 3.29Å; G131-Q194 WeakPolarHBondContact CA-O 3.42Å; G131-Q194 PolarHBondContact N-O 3.46Å; N132-Q194 PolarHBondContact N-O 3.32Å; W157-Q194 HydrophobicContact CE3-CB 4.16Å; N160-Q194 HydrophobicContact CB-CB 4.33Å; Q194-T205 VanDerWaalsContact OE1-CB 3.23Å; Q194-T205 PolarHBondContact OE1-OG1 3.01Å
195K86.1Confident85.8Confident65 Ų6534.4 Ų34.428%0.28319%0.186SC..  trans-62.1137.3172.8-174.5170.7177.5174.20110.8S159 N160 V163 K164 G197S159-K195 PolarHBondContact O-N 3.18Å; N160-K195 HydrophobicContact CB-CB 4.48Å; N160-K195 PolarHBondContact ND2-O 2.87Å; V163-K195 HydrophobicContact CG1-CD 4Å; K164-K195 PolarHBondContact O-NZ 3.26Å; K195-G197 PolarHBondContact O-N 3.04Å
196W82.9Confident85.9Confident149 Ų14930.2 Ų30.256%0.56417%0.165SC*.  trans-51.5120.3-179.4-176.375.6000111.7Y101 D130Y101-W196 AromaticContact CE2-CD1 3.62Å; Y101-W196 AromaticContact CE2-NE1 3.89Å; Y101-W196 AromaticContact CZ-CD1 3.93Å; Y101-W196 AromaticContact CZ-NE1 3.73Å; D130-W196 WeakPolarHBondContact OD1-CA 3.31Å
197G72.3Confident86Confident35 Ų3527.2 Ų27.236%0.36113%0.134SC..  trans-142.9-1.2-177.300000113.7D130 K195D130-G197 PolarHBondContact OD1-N 2.9Å; K195-G197 PolarHBondContact O-N 3.04Å
198G78.8Confident85.9Confident13 Ų1328.2 Ų28.213%0.13414%0.135CC..  trans88.9165.8-177.600000112.8D130 R200 E201 V202D130-G198 PolarHBondContact OD1-N 3.39Å; D130-G198 WeakPolarHBondContact OD2-CA 3.27Å; D130-G198 PolarHBondContact OD2-N 2.83Å; G198-R200 PolarHBondContact O-N 3.43Å; G198-R200 VanDerWaalsContact O-N 3.09Å; G198-E201 WeakPolarHBondContact O-CB 3.36Å; G198-E201 PolarHBondContact O-N 3.38Å; G198-V202 WeakPolarHBondContact O-CG2 3.34Å; G198-V202 PolarHBondContact O-N 2.95Å
199K78.8Confident85.8Confident50 Ų5021.6 Ų21.622%0.21711%0.107CC..Hα-helixtrans-52.2-36.8-176.8-172.1169.2175.8173.30114.1V202 M203 C221 D222K199-V202 PolarHBondContact O-N 3.5Å; K199-M203 HydrophobicContact CG-SD 4.37Å; K199-M203 VanDerWaalsContact O-CG 3.31Å; K199-M203 WeakPolarHBondContact O-CG 3.47Å; K199-M203 PolarHBondContact O-N 2.87Å; K199-M203 VanDerWaalsContact O-N 3.11Å; K199-C221 WeakPolarHBondContact CE-O 3.27Å; K199-C221 WeakPolarHBondContact CE-SG 3.42Å; K199-C221 PolarHBondContact NZ-O 2.85Å; K199-D222 IonicContact NZ-OD1 2.94Å; K199-D222 PolarHBondContact NZ-OD1 3.47Å
200R80.4Confident85.5Confident14 Ų1420.5 Ų20.55%0.05310%0.1CC..Hα-helixtrans-66.2-40.3178.3-169.1174.7-64.3-158.5-5.7112.7G198 M203 Y204 W309 Y310 Q312 C319 D323G198-R200 PolarHBondContact O-N 3.43Å; G198-R200 VanDerWaalsContact O-N 3.09Å; R200-M203 PolarHBondContact O-N 3.49Å; R200-Y204 WeakPolarHBondContact O-CB 3.27Å; R200-Y204 PolarHBondContact O-N 3.3Å; R200-W309 HydrophobicContact CB-CH2 4.44Å; R200-W309 HydrophobicContact CG-CE3 4.45Å; R200-W309 HydrophobicContact CG-CH2 3.54Å; R200-W309 HydrophobicContact CG-CZ2 3.9Å; R200-W309 HydrophobicContact CG-CZ3 3.85Å; R200-W309 PolarHBondContact NH1-O 2.92Å; R200-Y310 HydrophobicContact CG-CD2 3.98Å; R200-Y310 HydrophobicContact CG-CE2 4.33Å; R200-Q312 VanDerWaalsContact NH1-CB 3.29Å; R200-Q312 VanDerWaalsContact NH2-OE1 3.08Å; R200-C319 PolarHBondContact NH1-O 2.63Å; R200-C319 PolarHBondContact NH2-O 3.39Å; R200-D323 IonicContact CZ-OD1 3.26Å; R200-D323 IonicContact NE-OD1 3.38Å; R200-D323 PolarHBondContact NE-OD1 2.81Å; R200-D323 IonicContact NH2-OD1 2.67Å; R200-D323 PolarHBondContact NH2-OD1 3.39Å
201E82.8Confident85.1Confident1 Ų121.6 Ų21.61%0.00511%0.111CC..Hα-helixtrans-63.7-46.6176.6-172.967.5-162.400110.6N160 Y161 H162 G198 M203 Y204 T205 Y310N160-E201 HydrophobicContact CB-CG 3.95Å; N160-E201 PolarHBondContact OD1-OE1 2.87Å; Y161-E201 PolarHBondContact N-OE1 3.01Å; H162-E201 IonicContact CE1-OE1 3.94Å; H162-E201 IonicContact CE1-OE2 3.67Å; H162-E201 IonicContact CG-OE1 3.84Å; H162-E201 IonicContact CG-OE2 3.69Å; H162-E201 PolarHBondContact N-OE1 2.85Å; H162-E201 VanDerWaalsContact ND1-CD 3.27Å; H162-E201 IonicContact ND1-OE1 2.95Å; H162-E201 PolarHBondContact ND1-OE1 3.41Å; H162-E201 IonicContact ND1-OE2 2.83Å; H162-E201 PolarHBondContact ND1-OE2 3.08Å; G198-E201 WeakPolarHBondContact O-CB 3.36Å; G198-E201 PolarHBondContact O-N 3.38Å; E201-M203 VanDerWaalsContact C-N 3.31Å; E201-M203 PolarHBondContact O-N 2.96Å; E201-Y204 WeakPolarHBondContact O-CB 3.2Å; E201-Y204 PolarHBondContact O-N 3.42Å; E201-Y204 VanDerWaalsContact O-N 3.13Å; E201-T205 PolarHBondContact O-N 3.39Å; E201-T205 PolarHBondContact O-OG1 3.38Å; E201-T205 VanDerWaalsContact O-OG1 3.1Å; E201-Y310 WeakPolarHBondContact OE2-CE2 3.01Å; E201-Y310 PolarHBondContact OE2-OH 2.64Å
202V85.3Confident84.5Confident3 Ų331.1 Ų31.12%0.01815%0.147CC..Hα-helixtrans-57.5-46179.3177.20000111.3A99 V128 D130 G198 K199 A206A99-V202 HydrophobicContact CB-CB 4.44Å; A99-V202 HydrophobicContact CB-CG1 3.57Å; V128-V202 HydrophobicContact CB-CG1 3.54Å; V128-V202 HydrophobicContact CG1-CB 4.32Å; V128-V202 HydrophobicContact CG1-CG1 3.7Å; V128-V202 VanDerWaalsContact O-CG1 3.23Å; V128-V202 WeakPolarHBondContact O-CG1 3.5Å; D130-V202 HydrophobicContact CB-CG2 3.4Å; D130-V202 VanDerWaalsContact CG-CG2 3.5Å; G198-V202 WeakPolarHBondContact O-CG2 3.34Å; G198-V202 PolarHBondContact O-N 2.95Å; K199-V202 PolarHBondContact O-N 3.5Å; V202-A206 PolarHBondContact O-N 3.43Å
203M85.9Confident84.1Confident6 Ų633.4 Ų33.43%0.0316%0.163CC..Hα-helixtrans-65.6-43.1175.3-72.5173.756.800112.2K199 R200 E201 T205 A206 F207 Q219 C221 W309 D323 L327K199-M203 HydrophobicContact CG-SD 4.37Å; K199-M203 VanDerWaalsContact O-CG 3.31Å; K199-M203 WeakPolarHBondContact O-CG 3.47Å; K199-M203 PolarHBondContact O-N 2.87Å; K199-M203 VanDerWaalsContact O-N 3.11Å; R200-M203 PolarHBondContact O-N 3.49Å; E201-M203 VanDerWaalsContact C-N 3.31Å; E201-M203 PolarHBondContact O-N 2.96Å; M203-T205 VanDerWaalsContact C-N 3.34Å; M203-T205 PolarHBondContact O-N 2.82Å; M203-A206 PolarHBondContact O-N 2.96Å; M203-F207 HydrophobicContact CB-CE2 4.16Å; M203-F207 HydrophobicContact CB-CZ 4.45Å; M203-F207 HydrophobicContact CE-CE2 3.68Å; M203-F207 HydrophobicContact CE-CZ 3.85Å; M203-F207 WeakPolarHBondContact O-CD2 3.23Å; M203-F207 WeakPolarHBondContact O-CG 3.42Å; M203-F207 PolarHBondContact O-N 3.01Å; M203-Q219 VanDerWaalsContact CE-CD 3.48Å; M203-Q219 HydrophobicContact CE-CG 4.41Å; M203-Q219 PolarHBondContact SD-NE2 3.38Å; M203-Q219 VanDerWaalsContact SD-NE2 3.41Å; M203-C221 PolarHBondContact SD-SG 3.34Å; M203-W309 HydrophobicContact CB-CH2 3.79Å; M203-W309 HydrophobicContact CE-CH2 3.6Å; M203-W309 HydrophobicContact CE-CZ2 3.43Å; M203-W309 VanDerWaalsContact CE-CZ2 3.43Å; M203-W309 HydrophobicContact SD-CH2 4.17Å; M203-W309 HydrophobicContact SD-CZ2 4.17Å; M203-D323 HydrophobicContact SD-CB 4.1Å; M203-L327 HydrophobicContact CE-CD2 4.3Å
204Y86.7Confident83.9Confident10 Ų1034 Ų344%0.03917%0.167CC..Hα-helixtrans-58.8-47177.4-178.7-86.6000110.9Y161 H162 R200 E201 A206 F207 K208 L306 E307 Y310Y161-Y204 HydrophobicContact CD1-CE1 4.04Å; Y161-Y204 HydrophobicContact CD2-CD1 4.14Å; Y161-Y204 HydrophobicContact CD2-CE1 4.26Å; Y161-Y204 HydrophobicContact CG-CD1 4.04Å; Y161-Y204 AromaticContact CG-CE1 3.78Å; Y161-Y204 HydrophobicContact CG-CE1 3.78Å; H162-Y204 AromaticContact CE1-CD1 3.63Å; H162-Y204 AromaticContact CE1-CE1 3.55Å; H162-Y204 AromaticContact CE1-CZ 3.84Å; R200-Y204 WeakPolarHBondContact O-CB 3.27Å; R200-Y204 PolarHBondContact O-N 3.3Å; E201-Y204 WeakPolarHBondContact O-CB 3.2Å; E201-Y204 PolarHBondContact O-N 3.42Å; E201-Y204 VanDerWaalsContact O-N 3.13Å; Y204-A206 VanDerWaalsContact C-N 3.31Å; Y204-A206 PolarHBondContact O-N 3.23Å; Y204-F207 PolarHBondContact O-N 3.44Å; Y204-K208 HydrophobicContact CD1-CB 4.27Å; Y204-K208 HydrophobicContact CE1-CB 3.99Å; Y204-K208 HydrophobicContact CE1-CD 4.37Å; Y204-K208 HydrophobicContact CE1-CG 4.09Å; Y204-K208 VanDerWaalsContact O-CB 3.23Å; Y204-K208 WeakPolarHBondContact O-CB 3.28Å; Y204-K208 PolarHBondContact O-N 3.03Å; Y204-L306 HydrophobicContact CD2-CD1 4.03Å; Y204-L306 HydrophobicContact CD2-CD2 4.19Å; Y204-L306 HydrophobicContact CD2-CG 3.8Å; Y204-L306 HydrophobicContact CE2-CD1 4.48Å; Y204-L306 HydrophobicContact CE2-CD2 3.99Å; Y204-L306 HydrophobicContact CE2-CG 3.74Å; Y204-E307 PolarHBondContact OH-OE1 2.67Å; Y204-E307 PolarHBondContact OH-OE2 2.97Å; Y204-Y310 AromaticContact CD2-CD2 3.85Å; Y204-Y310 HydrophobicContact CD2-CD2 3.85Å; Y204-Y310 AromaticContact CD2-CG 3.96Å; Y204-Y310 HydrophobicContact CD2-CG 3.96Å; Y204-Y310 HydrophobicContact CE2-CG 4.31Å; Y204-Y310 AromaticContact CG-CD2 3.96Å; Y204-Y310 HydrophobicContact CG-CD2 3.96Å; Y204-Y310 HydrophobicContact CG-CG 4.47Å
205T86.3Confident83.7Confident0 Ų036.9 Ų36.90%018%0.182CC..Hα-helixtrans-54.2-48.1175.8-640000111.2V128 W157 Y161 Q194 E201 M203 A209V128-T205 HydrophobicContact CG1-CG2 4.12Å; V128-T205 HydrophobicContact CG2-CG2 4.4Å; W157-T205 HydrophobicContact CZ3-CG2 4.15Å; Y161-T205 HydrophobicContact CD2-CG2 4.18Å; Y161-T205 WeakPolarHBondContact CD2-OG1 3.21Å; Y161-T205 HydrophobicContact CE2-CG2 3.88Å; Q194-T205 VanDerWaalsContact OE1-CB 3.23Å; Q194-T205 PolarHBondContact OE1-OG1 3.01Å; E201-T205 PolarHBondContact O-N 3.39Å; E201-T205 PolarHBondContact O-OG1 3.38Å; E201-T205 VanDerWaalsContact O-OG1 3.1Å; M203-T205 VanDerWaalsContact C-N 3.34Å; M203-T205 PolarHBondContact O-N 2.82Å; T205-A209 WeakPolarHBondContact O-CB 3.31Å; T205-A209 PolarHBondContact O-N 3.38Å
206A87.4Confident83.8Confident3 Ų333.9 Ų33.93%0.02517%0.169CC..Hα-helixtrans-62.7-46.9178.900000112.1C97 V128 V202 M203 Y204 L210C97-A206 HydrophobicContact CB-CB 4.01Å; V128-A206 HydrophobicContact CG2-CB 3.96Å; V202-A206 PolarHBondContact O-N 3.43Å; M203-A206 PolarHBondContact O-N 2.96Å; Y204-A206 VanDerWaalsContact C-N 3.31Å; Y204-A206 PolarHBondContact O-N 3.23Å; A206-L210 WeakPolarHBondContact O-CB 3.45Å; A206-L210 WeakPolarHBondContact O-CD1 3.34Å; A206-L210 VanDerWaalsContact O-CG 3.28Å; A206-L210 WeakPolarHBondContact O-CG 3.42Å; A206-L210 PolarHBondContact O-N 3.3Å; A206-L210 VanDerWaalsContact O-N 3.08Å
207F87.6Confident84Confident1 Ų126.8 Ų26.80%0.00414%0.142CC..Hα-helixtrans-68-41-178.6-61-21.4000112.6M203 Y204 G211 V217 Q219 L302 H303 L306 W309 L327M203-F207 HydrophobicContact CB-CE2 4.16Å; M203-F207 HydrophobicContact CB-CZ 4.45Å; M203-F207 HydrophobicContact CE-CE2 3.68Å; M203-F207 HydrophobicContact CE-CZ 3.85Å; M203-F207 WeakPolarHBondContact O-CD2 3.23Å; M203-F207 WeakPolarHBondContact O-CG 3.42Å; M203-F207 PolarHBondContact O-N 3.01Å; Y204-F207 PolarHBondContact O-N 3.44Å; F207-G211 PolarHBondContact O-N 3.22Å; F207-V217 HydrophobicContact CD1-CG1 3.82Å; F207-V217 HydrophobicContact CE1-CG1 3.52Å; F207-Q219 HydrophobicContact CZ-CG 4.27Å; F207-L302 HydrophobicContact CD1-CD1 4.42Å; F207-L302 HydrophobicContact CE1-CD1 4.46Å; F207-H303 PolarHBondContact O-CE1 2.92Å; F207-H303 VanDerWaalsContact O-CE1 3.26Å; F207-L306 HydrophobicContact CB-CD1 3.78Å; F207-L306 HydrophobicContact CB-CD2 4.15Å; F207-L306 HydrophobicContact CD2-CD1 3.69Å; F207-L306 HydrophobicContact CG-CD1 4.24Å; F207-W309 HydrophobicContact CE2-CH2 4.48Å; F207-L327 HydrophobicContact CE2-CD2 4.45Å
208K86.8Confident84.6Confident78 Ų7825.1 Ų25.134%0.33913%0.125SC..Hα-helixtrans-68.8-45.5179.1-166.671172.6-165.50111.3Y161 Y204 L210 G211 L306 E307Y161-K208 HydrophobicContact CD1-CG 4.27Å; Y161-K208 HydrophobicContact CE1-CB 4.24Å; Y161-K208 HydrophobicContact CE1-CG 3.61Å; Y161-K208 HydrophobicContact CE2-CB 4.23Å; Y161-K208 HydrophobicContact CE2-CG 4.49Å; Y204-K208 HydrophobicContact CD1-CB 4.27Å; Y204-K208 HydrophobicContact CE1-CB 3.99Å; Y204-K208 HydrophobicContact CE1-CD 4.37Å; Y204-K208 HydrophobicContact CE1-CG 4.09Å; Y204-K208 VanDerWaalsContact O-CB 3.23Å; Y204-K208 WeakPolarHBondContact O-CB 3.28Å; Y204-K208 PolarHBondContact O-N 3.03Å; K208-L210 VanDerWaalsContact C-N 3.3Å; K208-L210 PolarHBondContact O-N 3.19Å; K208-G211 PolarHBondContact O-N 3.21Å; K208-G211 VanDerWaalsContact O-N 3.1Å; K208-L306 HydrophobicContact CB-CD2 4.28Å; K208-L306 HydrophobicContact CD-CD2 4.04Å; K208-E307 IonicContact NZ-OE1 2.68Å; K208-E307 PolarHBondContact NZ-OE1 3.28Å
209A85.8Confident84.6Confident3 Ų324.7 Ų24.73%0.02512%0.119CC..Hα-helixtrans-67.1-30.9179.400000112.7V180 V184 T205 G211V180-A209 HydrophobicContact CG1-CB 3.97Å; V184-A209 HydrophobicContact CB-CB 4.05Å; V184-A209 HydrophobicContact CG1-CB 4.12Å; V184-A209 HydrophobicContact CG2-CB 3.81Å; T205-A209 WeakPolarHBondContact O-CB 3.31Å; T205-A209 PolarHBondContact O-N 3.38Å; A209-G211 VanDerWaalsContact C-N 3.29Å; A209-G211 PolarHBondContact O-N 2.97Å
210L84.9Confident84.2Confident0 Ų022.3 Ų22.30%011%0.109CC..Hα-helixtrans-65.8-31.2172-84.3169.7000112.8A95 C97 K124 I126 V184 A206 K208 S213 V214 V217A95-L210 HydrophobicContact CB-CD1 3.54Å; A95-L210 HydrophobicContact CB-CD2 3.58Å; A95-L210 HydrophobicContact CB-CG 4.22Å; C97-L210 VanDerWaalsContact SG-CD1 3.51Å; K124-L210 HydrophobicContact CD-CD2 3.94Å; I126-L210 HydrophobicContact CD1-CD1 3.88Å; I126-L210 HydrophobicContact CD1-CD2 3.3Å; I126-L210 HydrophobicContact CD1-CG 3.41Å; I126-L210 VanDerWaalsContact CD1-CG 3.41Å; V184-L210 HydrophobicContact CG1-CD2 4.13Å; V184-L210 HydrophobicContact CG1-CG 4.31Å; A206-L210 WeakPolarHBondContact O-CB 3.45Å; A206-L210 WeakPolarHBondContact O-CD1 3.34Å; A206-L210 VanDerWaalsContact O-CG 3.28Å; A206-L210 WeakPolarHBondContact O-CG 3.42Å; A206-L210 PolarHBondContact O-N 3.3Å; A206-L210 VanDerWaalsContact O-N 3.08Å; K208-L210 VanDerWaalsContact C-N 3.3Å; K208-L210 PolarHBondContact O-N 3.19Å; L210-S213 VanDerWaalsContact O-CB 3.24Å; L210-S213 WeakPolarHBondContact O-CB 3.32Å; L210-S213 PolarHBondContact O-N 2.69Å; L210-S213 VanDerWaalsContact O-N 3.14Å; L210-S213 PolarHBondContact O-OG 2.88Å; L210-V214 HydrophobicContact CD2-CG1 4.36Å; L210-V214 HydrophobicContact CD2-CG2 4.29Å; L210-V217 HydrophobicContact CD1-CG1 4.34Å; L210-V217 HydrophobicContact CD1-CG2 4.15Å
211G83.3Confident83.3Confident23 Ų2321.8 Ų21.824%0.23711%0.108CC..THydrogen-bonded Turntrans49.4-146.3-173.500000111.2F207 K208 A209 S213 N299 H303F207-G211 PolarHBondContact O-N 3.22Å; K208-G211 PolarHBondContact O-N 3.21Å; K208-G211 VanDerWaalsContact O-N 3.1Å; A209-G211 VanDerWaalsContact C-N 3.29Å; A209-G211 PolarHBondContact O-N 2.97Å; G211-S213 VanDerWaalsContact C-N 3.25Å; G211-S213 PolarHBondContact O-N 3.18Å; G211-N299 PolarHBondContact O-ND2 3.45Å; G211-N299 PolarHBondContact O-OD1 2.68Å; G211-H303 VanDerWaalsContact CA-CE1 3.49Å; G211-H303 WeakPolarHBondContact CA-CE1 3.35Å; G211-H303 PolarHBondContact O-NE2 3.37Å
212R80.9Confident82.8Confident199 Ų19923.8 Ų23.875%0.75112%0.118SC*.THydrogen-bonded Turntrans-8923.8174.8-65.2-176.4176.1173.1-2.3113.8V214R212-V214 VanDerWaalsContact C-N 3.26Å; R212-V214 PolarHBondContact O-N 2.94Å
213S82.9Confident82.2Confident48 Ų4823.7 Ų23.734%0.33612%0.118SC..SBendtrans-72.5-18.8-175.567.20000114.3L185 L210 G211L185-S213 VanDerWaalsContact CD2-CB 3.43Å; L210-S213 VanDerWaalsContact O-CB 3.24Å; L210-S213 WeakPolarHBondContact O-CB 3.32Å; L210-S213 PolarHBondContact O-N 2.69Å; L210-S213 VanDerWaalsContact O-N 3.14Å; L210-S213 PolarHBondContact O-OG 2.88Å; G211-S213 VanDerWaalsContact C-N 3.25Å; G211-S213 PolarHBondContact O-N 3.18Å
214V86.3Confident81.8Confident13 Ų1323.5 Ų23.58%0.07912%0.117CC..  trans-124.2155.4179.7-62.10000112.4S93 A95 L210 R212 Y216 V217 N299S93-V214 VanDerWaalsContact OG-CA 3.22Å; S93-V214 WeakPolarHBondContact OG-CA 3.31Å; A95-V214 HydrophobicContact CB-CB 4.38Å; A95-V214 HydrophobicContact CB-CG1 4.01Å; A95-V214 HydrophobicContact CB-CG2 3.84Å; L210-V214 HydrophobicContact CD2-CG1 4.36Å; L210-V214 HydrophobicContact CD2-CG2 4.29Å; R212-V214 VanDerWaalsContact C-N 3.26Å; R212-V214 PolarHBondContact O-N 2.94Å; V214-Y216 WeakPolarHBondContact CG2-O 3.48Å; V214-V217 HydrophobicContact CG2-CG2 3.9Å; V214-N299 HydrophobicContact CG2-CB 4.37Å; V214-N299 WeakPolarHBondContact O-CB 3.34Å; V214-N299 PolarHBondContact O-ND2 2.83Å
215D85.8Confident81.7Confident60 Ų6023 Ų2332%0.32112%0.115SC..SBendtrans-78.8-42.1174.7-61.3-86.5000111.1K92 S93 N299K92-D215 HydrophobicContact CB-CB 4.11Å; K92-D215 HydrophobicContact CD-CB 4.21Å; K92-D215 IonicContact NZ-OD1 3.3Å; K92-D215 PolarHBondContact NZ-OD1 3.48Å; S93-D215 PolarHBondContact N-OD2 3.17Å; S93-D215 PolarHBondContact O-N 2.71Å; S93-D215 VanDerWaalsContact O-N 3.14Å; S93-D215 PolarHBondContact OG-N 2.83Å; S93-D215 PolarHBondContact OG-OD2 3.13Å; D215-N299 WeakPolarHBondContact O-CB 3.42Å; D215-N299 PolarHBondContact O-N 3.5Å
216Y88.9Confident81.8Confident3 Ų323.5 Ų23.51%0.01212%0.117CC..EExtended strand (participates in β ladder)trans-124.2143-175.2-62.3-61.1000112.1K92 S93 A95 V214 V236 L239 E240 R298K92-Y216 HydrophobicContact CB-CD2 3.88Å; K92-Y216 HydrophobicContact CB-CE2 3.64Å; K92-Y216 HydrophobicContact CG-CE2 3.82Å; S93-Y216 PolarHBondContact O-N 2.95Å; S93-Y216 VanDerWaalsContact O-N 3.08Å; A95-Y216 PolarHBondContact N-O 3.45Å; V214-Y216 WeakPolarHBondContact CG2-O 3.48Å; Y216-V236 HydrophobicContact CD2-CG1 4.36Å; Y216-V236 HydrophobicContact CD2-CG2 4.21Å; Y216-V236 HydrophobicContact CE2-CG1 4.07Å; Y216-L239 HydrophobicContact CD1-CD1 3.56Å; Y216-L239 HydrophobicContact CE1-CB 3.84Å; Y216-L239 HydrophobicContact CE1-CD1 3.62Å; Y216-L239 HydrophobicContact CE1-CG 4.32Å; Y216-L239 HydrophobicContact CG-CD1 4.38Å; Y216-E240 WeakPolarHBondContact CE2-OE1 3.36Å; Y216-E240 VanDerWaalsContact CZ-OE1 3.26Å; Y216-E240 PolarHBondContact OH-OE1 3.23Å; Y216-R298 HydrophobicContact CD1-CG 4.29Å; Y216-R298 HydrophobicContact CE1-CG 3.89Å; Y216-R298 PolarHBondContact OH-NH1 3.24Å
217V86.6Confident81.8Confident0 Ų023.7 Ų23.70%012%0.118CC..EExtended strand (participates in β ladder)trans-120111.8172.5-178.50000108.4A95 F207 L210 V214 M296 Y297 N299 L302A95-V217 CarbonylContact O-C 3.58Å; A95-V217 WeakPolarHBondContact O-CA 3.45Å; F207-V217 HydrophobicContact CD1-CG1 3.82Å; F207-V217 HydrophobicContact CE1-CG1 3.52Å; L210-V217 HydrophobicContact CD1-CG1 4.34Å; L210-V217 HydrophobicContact CD1-CG2 4.15Å; V214-V217 HydrophobicContact CG2-CG2 3.9Å; V217-M296 WeakPolarHBondContact O-CA 3.34Å; V217-Y297 PolarHBondContact N-O 2.97Å; V217-Y297 PolarHBondContact O-N 2.96Å; V217-N299 HydrophobicContact CG2-CB 3.94Å; V217-L302 HydrophobicContact CB-CD1 3.65Å; V217-L302 HydrophobicContact CG1-CD1 4.13Å; V217-L302 HydrophobicContact CG2-CD1 3.81Å
218Q83.6Confident81.8Confident0 Ų026.8 Ų26.80%014%0.135CC..EExtended strand (participates in β ladder)trans-87.5124.1167.6-177.5171.1-14.600109.1L94 A95 L96 C97 S232 G295 M296L94-Q218 HydrophobicContact CD1-CB 3.99Å; A95-Q218 PolarHBondContact O-N 2.88Å; L96-Q218 CarbonylContact C-O 3.5Å; L96-Q218 VanDerWaalsContact CA-O 3.31Å; L96-Q218 WeakPolarHBondContact CA-O 3.32Å; L96-Q218 HydrophobicContact CG-CG 4.49Å; C97-Q218 PolarHBondContact N-O 2.9Å; Q218-S232 PolarHBondContact NE2-OG 2.63Å; Q218-S232 VanDerWaalsContact OE1-CB 3.31Å; Q218-S232 PolarHBondContact OE1-OG 3.1Å; Q218-G295 CarbonylContact C-O 3.55Å; Q218-G295 WeakPolarHBondContact CA-O 3.25Å; Q218-M296 HydrophobicContact CB-CB 4.48Å; Q218-M296 HydrophobicContact CB-CE 3.97Å; Q218-M296 HydrophobicContact CB-CG 4.34Å; Q218-M296 HydrophobicContact CG-CE 4.26Å
219Q79.3Confident81.8Confident3 Ų325 Ų251%0.01413%0.13CC..EExtended strand (participates in β ladder)trans-104.2123.1-178.9-174.7-168.9-17.300109.1M203 F207 C221 G295 Y297 D324M203-Q219 VanDerWaalsContact CE-CD 3.48Å; M203-Q219 HydrophobicContact CE-CG 4.41Å; M203-Q219 PolarHBondContact SD-NE2 3.38Å; M203-Q219 VanDerWaalsContact SD-NE2 3.41Å; F207-Q219 HydrophobicContact CZ-CG 4.27Å; Q219-C221 HydrophobicContact CG-CB 4.35Å; Q219-C221 PolarHBondContact NE2-SG 2.84Å; Q219-G295 PolarHBondContact N-O 2.87Å; Q219-G295 PolarHBondContact O-N 3.15Å; Q219-Y297 VanDerWaalsContact OE1-CE2 3.32Å; Q219-D324 PolarHBondContact NE2-OD1 2.57Å
220V71Confident81.8Confident0 Ų026.5 Ų26.50%014%0.143CC..EExtended strand (participates in β ladder)trans-117.886.6173.9-175.90000106.5L96 C97 I98 A99 D222 L227L96-V220 HydrophobicContact CD1-CG2 4.18Å; L96-V220 HydrophobicContact CD2-CB 4.33Å; L96-V220 HydrophobicContact CD2-CG2 3.76Å; L96-V220 HydrophobicContact CG-CG2 3.88Å; C97-V220 WeakPolarHBondContact O-CA 3.22Å; C97-V220 PolarHBondContact O-N 2.92Å; I98-V220 WeakPolarHBondContact CA-O 3.3Å; I98-V220 HydrophobicContact CG1-CB 4.35Å; A99-V220 PolarHBondContact N-O 3.46Å; V220-D222 VanDerWaalsContact C-N 3.32Å; V220-D222 PolarHBondContact O-N 2.82Å; V220-L227 HydrophobicContact CG2-CD1 3.86Å; V220-L227 HydrophobicContact CG2-CD2 4.42Å
221C60.7Low81.9Confident4 Ų426.5 Ų26.53%0.02714%0.143CC..  trans-80.6-16.8-166.5-126.10000113.9K199 M203 Q219 G292 D324K199-C221 WeakPolarHBondContact CE-O 3.27Å; K199-C221 WeakPolarHBondContact CE-SG 3.42Å; K199-C221 PolarHBondContact NZ-O 2.85Å; M203-C221 PolarHBondContact SD-SG 3.34Å; Q219-C221 HydrophobicContact CG-CB 4.35Å; Q219-C221 PolarHBondContact NE2-SG 2.84Å; C221-G292 VanDerWaalsContact CB-C 3.49Å; C221-G292 WeakPolarHBondContact CB-O 3.37Å; C221-G292 PolarHBondContact N-O 2.87Å; C221-D324 PolarHBondContact SG-OD1 3.25Å; C221-D324 VanDerWaalsContact SG-OD1 3.4Å
222D73.4Confident82.1Confident43 Ų4325.4 Ų25.423%0.2313%0.132CC..  trans-124106.2-176.4-60.9-37.4000107.1K199 V220 D224 T225 P293K199-D222 IonicContact NZ-OD1 2.94Å; K199-D222 PolarHBondContact NZ-OD1 3.47Å; V220-D222 VanDerWaalsContact C-N 3.32Å; V220-D222 PolarHBondContact O-N 2.82Å; D222-D224 WeakPolarHBondContact CB-OD1 3.23Å; D222-D224 PolarHBondContact O-N 2.82Å; D222-D224 VanDerWaalsContact O-N 3.13Å; D222-T225 WeakPolarHBondContact O-CB 3.3Å; D222-T225 PolarHBondContact O-N 3.06Å; D222-T225 PolarHBondContact O-OG1 2.89Å; D222-P293 HydrophobicContact CB-CG 4.37Å; D222-P293 WeakPolarHBondContact OD2-CD 3.49Å; D222-P293 WeakPolarHBondContact OD2-CG 3.48Å
223S72.9Confident82.5Confident0 Ų016.7 Ų16.70%010%0.101CC..THydrogen-bonded Turntrans-72.2-1.1-17172.40000114.6A99 E103 C111 T225A99-S223 WeakPolarHBondContact O-CB 3.47Å; E103-S223 WeakPolarHBondContact CG-OG 3.33Å; E103-S223 PolarHBondContact OE1-OG 2.84Å; C111-S223 WeakPolarHBondContact CB-O 3.33Å; C111-S223 PolarHBondContact SG-O 2.86Å; S223-T225 VanDerWaalsContact C-N 3.26Å
224D77.6Confident82.7Confident2 Ų215.4 Ų15.41%0.0119%0.089CC..THydrogen-bonded Turntrans-86.56.9167.965.9-43.7000113.2D222 T348 E349 R478D222-D224 WeakPolarHBondContact CB-OD1 3.23Å; D222-D224 PolarHBondContact O-N 2.82Å; D222-D224 VanDerWaalsContact O-N 3.13Å; D224-T348 PolarHBondContact OD2-OG1 2.91Å; D224-E349 HydrophobicContact CB-CB 4.43Å; D224-E349 WeakPolarHBondContact OD2-CB 3.08Å; D224-E349 PolarHBondContact OD2-N 3.12Å; D224-R478 VanDerWaalsContact CG-CZ 3.47Å; D224-R478 VanDerWaalsContact CG-NH1 3.26Å; D224-R478 IonicContact OD1-CZ 3.16Å; D224-R478 IonicContact OD1-NH2 2.73Å; D224-R478 PolarHBondContact OD1-NH2 3.28Å; D224-R478 IonicContact OD2-CZ 3.9Å; D224-R478 IonicContact OD2-NH1 3.02Å; D224-R478 PolarHBondContact OD2-NH1 3.49Å; D224-R478 IonicContact OD2-NH2 3.85Å; D224-R478 PolarHBondContact OD2-NH2 3.43Å
225T84.6Confident82.9Confident0 Ų014.8 Ų14.80%09%0.086CC..PPolyproline II helixtrans-95124.8-177.4-56.10000111.4C111 D222 S223 L227 P293 C346 L347 T348C111-T225 WeakPolarHBondContact CB-O 3.32Å; C111-T225 PolarHBondContact SG-O 3.41Å; D222-T225 WeakPolarHBondContact O-CB 3.3Å; D222-T225 PolarHBondContact O-N 3.06Å; D222-T225 PolarHBondContact O-OG1 2.89Å; S223-T225 VanDerWaalsContact C-N 3.26Å; T225-L227 HydrophobicContact CG2-CD2 4.13Å; T225-P293 HydrophobicContact CG2-CB 3.79Å; T225-C346 HydrophobicContact CG2-CB 3.52Å; T225-L347 CarbonylContact C-O 3.56Å; T225-L347 VanDerWaalsContact CA-O 3.31Å; T225-L347 WeakPolarHBondContact CA-O 3.22Å; T225-T348 PolarHBondContact OG1-OG1 2.96Å
226M86.8Confident83Confident11 Ų1112 Ų125%0.0547%0.071CC..EExtended strand (participates in β ladder)trans-90.5136.5167.5-58.4166.1179.900110.6K110 S114 L255 C346 L347 V559K110-M226 HydrophobicContact CB-CE 3.46Å; K110-M226 VanDerWaalsContact CB-CE 3.46Å; K110-M226 HydrophobicContact CB-CG 4.32Å; K110-M226 HydrophobicContact CD-CE 3.37Å; K110-M226 HydrophobicContact CG-CE 3.79Å; S114-M226 WeakPolarHBondContact OG-CA 3.33Å; M226-L255 HydrophobicContact CE-CD1 4.12Å; M226-L255 HydrophobicContact CE-CD2 3.59Å; M226-L255 HydrophobicContact SD-CD1 3.97Å; M226-L255 HydrophobicContact SD-CD2 4.16Å; M226-C346 CarbonylContact O-C 3.44Å; M226-C346 WeakPolarHBondContact O-CA 2.97Å; M226-C346 VanDerWaalsContact O-CB 3.23Å; M226-C346 WeakPolarHBondContact O-CB 3.4Å; M226-L347 HydrophobicContact CB-CB 4.32Å; M226-L347 PolarHBondContact N-O 2.91Å; M226-L347 PolarHBondContact O-N 2.7Å; M226-V559 HydrophobicContact CE-CG1 4.1Å; M226-V559 HydrophobicContact SD-CG1 3.71Å
227L87.9Confident83Confident7 Ų713.7 Ų13.74%0.0378%0.078CC..EExtended strand (participates in β ladder)trans-100.4141.4179.1-56-179.5000111.3L96 S114 V115 L118 V220 T225 L294 C346L96-L227 HydrophobicContact CD1-CD1 3.77Å; S114-L227 PolarHBondContact OG-N 2.93Å; V115-L227 HydrophobicContact CG2-CD1 3.98Å; L118-L227 HydrophobicContact CD1-CD1 4.15Å; L118-L227 HydrophobicContact CD2-CB 4.1Å; L118-L227 HydrophobicContact CD2-CD1 4.4Å; V220-L227 HydrophobicContact CG2-CD1 3.86Å; V220-L227 HydrophobicContact CG2-CD2 4.42Å; T225-L227 HydrophobicContact CG2-CD2 4.13Å; L227-L294 HydrophobicContact CD2-CD1 4.01Å; L227-C346 HydrophobicContact CD2-CB 3.86Å
228D88.3Confident83Confident66 Ų6614.3 Ų14.335%0.3538%0.082SC..PPolyproline II helixtrans-69.7138.7168.8-17458.7000110.2L118 A230 S231 K345L118-D228 WeakPolarHBondContact CD2-O 3.37Å; D228-A230 PolarHBondContact O-N 3.31Å; D228-A230 VanDerWaalsContact O-N 3.07Å; D228-S231 WeakPolarHBondContact O-CB 3.5Å; D228-S231 PolarHBondContact O-N 3.14Å; D228-S231 PolarHBondContact O-OG 3.41Å; D228-K345 HydrophobicContact CB-CB 4.22Å; D228-K345 WeakPolarHBondContact CB-O 3.43Å; D228-K345 PolarHBondContact N-O 3.19Å
229P85.8Confident83.3Confident39 Ų3914.3 Ų14.325%0.2538%0.082SC..THydrogen-bonded Turntrans-54.6-30.7-177.1-31.138.1000114.9R117 T119R117-P229 WeakPolarHBondContact O-CB 3.39Å; T119-P229 WeakPolarHBondContact CB-O 3.24Å; T119-P229 HydrophobicContact CG2-CB 3.97Å; T119-P229 PolarHBondContact N-O 2.83Å; T119-P229 PolarHBondContact OG1-O 3.18Å
230A85.9Confident83.7Confident35 Ų3517.3 Ų17.329%0.28910%0.096SC..THydrogen-bonded Turntrans-89.7-5.5178.900000113.8D228 S232 V233 E234D228-A230 PolarHBondContact O-N 3.31Å; D228-A230 VanDerWaalsContact O-N 3.07Å; A230-S232 PolarHBondContact O-N 3.09Å; A230-V233 PolarHBondContact O-N 3.43Å; A230-E234 WeakPolarHBondContact O-CG 3.1Å; A230-E234 PolarHBondContact O-N 2.79Å; A230-E234 VanDerWaalsContact O-N 3.09Å
231S86.9Confident84.4Confident0 Ų022.4 Ų22.40%012%0.12CC..Hα-helixtrans-55.2-47.8-171.6590000113.5L118 D228 M235 S344L118-S231 WeakPolarHBondContact CD2-OG 3.48Å; D228-S231 WeakPolarHBondContact O-CB 3.5Å; D228-S231 PolarHBondContact O-N 3.14Å; D228-S231 PolarHBondContact O-OG 3.41Å; S231-M235 WeakPolarHBondContact O-CG 3.31Å; S231-M235 PolarHBondContact O-N 3.37Å; S231-S344 VanDerWaalsContact C-OG 3.26Å; S231-S344 WeakPolarHBondContact CA-OG 3.33Å; S231-S344 WeakPolarHBondContact CB-OG 3.17Å; S231-S344 PolarHBondContact O-OG 3.21Å
232S87.8Confident85.6Confident0 Ų024.5 Ų24.50%013%0.131CC..Hα-helixtrans-65.8-40.8179.8-58.30000112.6Q218 A230 M235 V236Q218-S232 PolarHBondContact NE2-OG 2.63Å; Q218-S232 VanDerWaalsContact OE1-CB 3.31Å; Q218-S232 PolarHBondContact OE1-OG 3.1Å; A230-S232 PolarHBondContact O-N 3.09Å; S232-M235 PolarHBondContact O-N 3.35Å; S232-V236 WeakPolarHBondContact O-CG2 3.37Å; S232-V236 PolarHBondContact O-N 3.4Å
233V88.8Confident86.1Confident16 Ų1626.9 Ų26.910%0.09715%0.148CC..Hα-helixtrans-62.9-47.5-180172.80000110.2L90 T119 Y120 A230 M235 V236 K237L90-V233 HydrophobicContact CD1-CG1 4.07Å; L90-V233 HydrophobicContact CD1-CG2 4.05Å; L90-V233 HydrophobicContact CD2-CG1 4.09Å; T119-V233 WeakPolarHBondContact OG1-CG2 3.16Å; Y120-V233 HydrophobicContact CD2-CG2 3.99Å; A230-V233 PolarHBondContact O-N 3.43Å; V233-M235 VanDerWaalsContact C-N 3.31Å; V233-M235 PolarHBondContact O-N 3.39Å; V233-V236 PolarHBondContact O-N 2.9Å; V233-K237 HydrophobicContact CG1-CD 4.46Å; V233-K237 WeakPolarHBondContact O-CG 3.41Å; V233-K237 PolarHBondContact O-N 2.94Å
234E87.9Confident86.8Confident21 Ų2132.6 Ų32.610%0.09818%0.177CC..Hα-helixtrans-65.9-32.2-178.9-66.1-57.3132.300113.1A230 K237 V238 R343A230-E234 WeakPolarHBondContact O-CG 3.1Å; A230-E234 PolarHBondContact O-N 2.79Å; A230-E234 VanDerWaalsContact O-N 3.09Å; E234-K237 IonicContact OE1-NZ 3.65Å; E234-K237 PolarHBondContact OE1-NZ 2.84Å; E234-V238 WeakPolarHBondContact O-CG2 3.33Å; E234-V238 PolarHBondContact O-N 2.89Å; E234-R343 HydrophobicContact CB-CB 4.31Å; E234-R343 HydrophobicContact CG-CB 4.11Å; E234-R343 IonicContact OE1-NH1 3.23Å; E234-R343 IonicContact OE2-CZ 2.63Å; E234-R343 IonicContact OE2-NE 2.94Å; E234-R343 PolarHBondContact OE2-NE 3.04Å; E234-R343 VanDerWaalsContact OE2-NE 3.07Å; E234-R343 IonicContact OE2-NH1 2.79Å; E234-R343 PolarHBondContact OE2-NH1 3.42Å; E234-R343 IonicContact OE2-NH2 2.74Å; E234-R343 PolarHBondContact OE2-NH2 3.45Å
235M89.6Confident87.4Confident0 Ų032.5 Ų32.50%018%0.176CC..Hα-helixtrans-71.5-43.5175.2-71.2173.694.200112.1S231 S232 V233 K237 V238 L239 V248 L294 M296 T341 S344S231-M235 WeakPolarHBondContact O-CG 3.31Å; S231-M235 PolarHBondContact O-N 3.37Å; S232-M235 PolarHBondContact O-N 3.35Å; V233-M235 VanDerWaalsContact C-N 3.31Å; V233-M235 PolarHBondContact O-N 3.39Å; M235-K237 VanDerWaalsContact C-N 3.28Å; M235-K237 PolarHBondContact O-N 2.74Å; M235-V238 PolarHBondContact O-N 3.28Å; M235-L239 PolarHBondContact O-N 3.39Å; M235-L239 VanDerWaalsContact O-N 3.15Å; M235-V248 HydrophobicContact CB-CG1 3.71Å; M235-V248 HydrophobicContact CE-CG1 3.95Å; M235-V248 WeakPolarHBondContact CE-O 3.22Å; M235-V248 HydrophobicContact CG-CG1 4.05Å; M235-L294 HydrophobicContact CE-CD1 4.19Å; M235-L294 HydrophobicContact CE-CG 4.14Å; M235-L294 HydrophobicContact SD-CD1 3.53Å; M235-L294 VanDerWaalsContact SD-CD1 3.53Å; M235-L294 HydrophobicContact SD-CG 3.9Å; M235-M296 HydrophobicContact CB-CB 4.33Å; M235-M296 HydrophobicContact CB-CE 3.55Å; M235-M296 HydrophobicContact CB-SD 3.77Å; M235-M296 HydrophobicContact CE-CB 3.57Å; M235-M296 HydrophobicContact SD-CB 4.29Å; M235-M296 HydrophobicContact SD-CE 4.28Å; M235-T341 HydrophobicContact CG-CG2 4.15Å; M235-S344 WeakPolarHBondContact CG-OG 3.16Å; M235-S344 PolarHBondContact SD-OG 3.34Å; M235-S344 VanDerWaalsContact SD-OG 3.39Å
236V89.5Confident87.5Confident1 Ų132.5 Ų32.51%0.00618%0.176CC..Hα-helixtrans-61.4-39.9176.1172.20000110.7L90 Y120 Y216 S232 V233 V238 L239 E240 M296L90-V236 HydrophobicContact CD2-CG1 4.38Å; Y120-V236 HydrophobicContact CD2-CG2 4.3Å; Y120-V236 HydrophobicContact CE2-CB 4.03Å; Y120-V236 HydrophobicContact CE2-CG1 4.06Å; Y120-V236 HydrophobicContact CE2-CG2 3.7Å; Y216-V236 HydrophobicContact CD2-CG1 4.36Å; Y216-V236 HydrophobicContact CD2-CG2 4.21Å; Y216-V236 HydrophobicContact CE2-CG1 4.07Å; S232-V236 WeakPolarHBondContact O-CG2 3.37Å; S232-V236 PolarHBondContact O-N 3.4Å; V233-V236 PolarHBondContact O-N 2.9Å; V236-V238 VanDerWaalsContact C-N 3.32Å; V236-V238 PolarHBondContact O-N 3.22Å; V236-L239 PolarHBondContact O-N 3.34Å; V236-L239 VanDerWaalsContact O-N 3.17Å; V236-E240 HydrophobicContact CG1-CG 3.98Å; V236-E240 WeakPolarHBondContact O-CG 3.49Å; V236-E240 PolarHBondContact O-N 3.04Å; V236-M296 HydrophobicContact CG2-CE 3.88Å; V236-M296 HydrophobicContact CG2-SD 3.64Å
237K87.8Confident87.7Confident39 Ų3932 Ų3217%0.1717%0.174CC..Hα-helixtrans-55.3-45.8175.6-72.7178.1-177.3169.40112.6I88 V233 E234 M235 L239 E240 E241I88-K237 HydrophobicContact CB-CG 4.32Å; I88-K237 HydrophobicContact CD1-CB 3.75Å; I88-K237 HydrophobicContact CD1-CG 3.83Å; V233-K237 HydrophobicContact CG1-CD 4.46Å; V233-K237 WeakPolarHBondContact O-CG 3.41Å; V233-K237 PolarHBondContact O-N 2.94Å; E234-K237 IonicContact OE1-NZ 3.65Å; E234-K237 PolarHBondContact OE1-NZ 2.84Å; M235-K237 VanDerWaalsContact C-N 3.28Å; M235-K237 PolarHBondContact O-N 2.74Å; K237-L239 VanDerWaalsContact C-N 3.34Å; K237-L239 PolarHBondContact O-N 3.49Å; K237-E240 PolarHBondContact O-N 2.98Å; K237-E241 WeakPolarHBondContact O-CB 3.45Å; K237-E241 PolarHBondContact O-N 2.94Å
238V87.9Confident87.9Confident14 Ų1431.7 Ų31.79%0.08517%0.172CC..Hα-helixtrans-66.7-35.8179.6174.20000112E234 M235 V236 V248 K339E234-V238 WeakPolarHBondContact O-CG2 3.33Å; E234-V238 PolarHBondContact O-N 2.89Å; M235-V238 PolarHBondContact O-N 3.28Å; V236-V238 VanDerWaalsContact C-N 3.32Å; V236-V238 PolarHBondContact O-N 3.22Å; V238-V248 HydrophobicContact CB-CG2 4.17Å; V238-V248 HydrophobicContact CG1-CB 4.39Å; V238-V248 HydrophobicContact CG1-CG2 3.9Å; V238-K339 HydrophobicContact CG1-CB 3.96Å; V238-K339 HydrophobicContact CG1-CD 3.92Å
239L88.2Confident88.1Confident0 Ų028.7 Ų28.70%016%0.157CC..Hα-helixtrans-71.7-39174.9-68176.3000111.7Y216 M235 V236 K237 E241 D242 V245 V248 M296 R298Y216-L239 HydrophobicContact CD1-CD1 3.56Å; Y216-L239 HydrophobicContact CE1-CB 3.84Å; Y216-L239 HydrophobicContact CE1-CD1 3.62Å; Y216-L239 HydrophobicContact CE1-CG 4.32Å; Y216-L239 HydrophobicContact CG-CD1 4.38Å; M235-L239 PolarHBondContact O-N 3.39Å; M235-L239 VanDerWaalsContact O-N 3.15Å; V236-L239 PolarHBondContact O-N 3.34Å; V236-L239 VanDerWaalsContact O-N 3.17Å; K237-L239 VanDerWaalsContact C-N 3.34Å; K237-L239 PolarHBondContact O-N 3.49Å; L239-E241 VanDerWaalsContact C-N 3.34Å; L239-D242 VanDerWaalsContact O-O 3.14Å; L239-V245 HydrophobicContact CD2-CB 4.33Å; L239-V245 HydrophobicContact CD2-CG1 3.75Å; L239-V248 HydrophobicContact CD1-CG1 4Å; L239-V248 HydrophobicContact CD2-CB 4.32Å; L239-V248 HydrophobicContact CD2-CG1 4.12Å; L239-V248 HydrophobicContact CG-CB 4.44Å; L239-V248 HydrophobicContact CG-CG1 3.8Å; L239-M296 HydrophobicContact CD1-CB 4.41Å; L239-M296 HydrophobicContact CD1-CG 3.79Å; L239-M296 HydrophobicContact CD1-SD 3.68Å; L239-R298 PolarHBondContact O-NH2 3.03Å
240E88.1Confident88.3Confident65 Ų6526.9 Ų26.930%0.30415%0.146SC..Hα-helixtrans-70.4-30178.2-71.6-65.9134.200112.9I88 K92 Y216 V236 K237 D242I88-E240 HydrophobicContact CD1-CB 4.37Å; I88-E240 HydrophobicContact CG2-CB 4.1Å; I88-E240 HydrophobicContact CG2-CG 4.2Å; K92-E240 WeakPolarHBondContact CG-OE1 3.48Å; Y216-E240 WeakPolarHBondContact CE2-OE1 3.36Å; Y216-E240 VanDerWaalsContact CZ-OE1 3.26Å; Y216-E240 PolarHBondContact OH-OE1 3.23Å; V236-E240 HydrophobicContact CG1-CG 3.98Å; V236-E240 WeakPolarHBondContact O-CG 3.49Å; V236-E240 PolarHBondContact O-N 3.04Å; K237-E240 PolarHBondContact O-N 2.98Å; E240-D242 VanDerWaalsContact C-N 3.28Å; E240-D242 PolarHBondContact O-N 3.17Å
241E85.8Confident88.5Confident107 Ų10725.4 Ų25.450%0.513%0.133SC..Hα-helixtrans-63.2-33.2178.9-172.5175.1-178.400112.6S83 K237 L239S83-E241 PolarHBondContact OG-OE2 3.04Å; K237-E241 WeakPolarHBondContact O-CB 3.45Å; K237-E241 PolarHBondContact O-N 2.94Å; L239-E241 VanDerWaalsContact C-N 3.34Å
242D85.2Confident88.6Confident49 Ų4925.5 Ų25.526%0.26213%0.133SC..  trans-139.3111.5-176.8-173.1-9000112.2L239 E240 M244 V245 R298L239-D242 VanDerWaalsContact O-O 3.14Å; E240-D242 VanDerWaalsContact C-N 3.28Å; E240-D242 PolarHBondContact O-N 3.17Å; D242-M244 PolarHBondContact O-N 3.33Å; D242-M244 WeakPolarHBondContact OD1-CB 3.5Å; D242-M244 PolarHBondContact OD1-N 3.23Å; D242-V245 HydrophobicContact CB-CB 4.45Å; D242-V245 HydrophobicContact CB-CG2 3.67Å; D242-V245 PolarHBondContact O-N 3.48Å; D242-R298 PolarHBondContact O-NH2 3.43Å
243P85.6Confident88.6Confident92 Ų9228.4 Ų28.460%0.59715%0.147SC*.THydrogen-bonded Turntrans-58.7-25.7175.5-24.934.9000114.3V245P243-V245 VanDerWaalsContact C-N 3.25Å; P243-V245 PolarHBondContact O-N 2.88Å
244M87.4Confident88.5Confident121 Ų12128 Ų2860%0.59614%0.144SC*.THydrogen-bonded Turntrans-78.8-8.5178.8-65-65.8145.700112.7D242 G246 Y336 A337D242-M244 PolarHBondContact O-N 3.33Å; D242-M244 WeakPolarHBondContact OD1-CB 3.5Å; D242-M244 PolarHBondContact OD1-N 3.23Å; M244-G246 PolarHBondContact O-N 2.84Å; M244-Y336 CarbonylContact O-C 3.24Å; M244-Y336 WeakPolarHBondContact O-CA 3.27Å; M244-Y336 WeakPolarHBondContact O-CB 3.32Å; M244-Y336 WeakPolarHBondContact O-CD1 3.47Å; M244-A337 PolarHBondContact O-N 2.99Å
245V89.4Confident88.2Confident0 Ų028.2 Ų28.20%015%0.146CC..EExtended strand (participates in β ladder)trans-84.2114.4174.2-177.20000109.4L239 D242 P243 G247 R298 A337 K339L239-V245 HydrophobicContact CD2-CB 4.33Å; L239-V245 HydrophobicContact CD2-CG1 3.75Å; D242-V245 HydrophobicContact CB-CB 4.45Å; D242-V245 HydrophobicContact CB-CG2 3.67Å; D242-V245 PolarHBondContact O-N 3.48Å; P243-V245 VanDerWaalsContact C-N 3.25Å; P243-V245 PolarHBondContact O-N 2.88Å; V245-G247 WeakPolarHBondContact CG1-O 3.41Å; V245-R298 PolarHBondContact O-NE 3.4Å; V245-A337 CarbonylContact C-O 3.5Å; V245-A337 VanDerWaalsContact CA-O 3.31Å; V245-A337 WeakPolarHBondContact CA-O 3.23Å; V245-A337 HydrophobicContact CG2-CB 4.24Å; V245-K339 HydrophobicContact CG1-CB 4.19Å; V245-K339 HydrophobicContact CG1-CG 4.14Å; V245-K339 HydrophobicContact CG2-CD 3.81Å; V245-K339 HydrophobicContact CG2-CG 3.98Å
246G86.9Confident87.9Confident0 Ų028.4 Ų28.40%015%0.147CC..EExtended strand (participates in β ladder)trans-91.5-18.6-178.700000114.3M244 R298 L301 A337M244-G246 PolarHBondContact O-N 2.84Å; G246-R298 PolarHBondContact O-N 3.15Å; G246-R298 VanDerWaalsContact O-N 3.14Å; G246-L301 VanDerWaalsContact CA-CD1 3.43Å; G246-A337 PolarHBondContact N-O 3.17Å
247G91.4Very high87.2Confident0 Ų030.7 Ų30.70%016%0.157CC..EExtended strand (participates in β ladder)trans-159.8151.7177.200000113.6V245 M296 T338 K339V245-G247 WeakPolarHBondContact CG1-O 3.41Å; G247-M296 CarbonylContact C-O 3.5Å; G247-M296 WeakPolarHBondContact CA-O 3.37Å; G247-T338 WeakPolarHBondContact O-CA 3.49Å; G247-K339 PolarHBondContact O-N 3.11Å
248V92.3Very high86.7Confident0 Ų031.5 Ų31.50%016%0.159CC..EExtended strand (participates in β ladder)trans-132.7138.6178.962.40000111M235 V238 L239 M296 K339 T341M235-V248 HydrophobicContact CB-CG1 3.71Å; M235-V248 HydrophobicContact CE-CG1 3.95Å; M235-V248 WeakPolarHBondContact CE-O 3.22Å; M235-V248 HydrophobicContact CG-CG1 4.05Å; V238-V248 HydrophobicContact CB-CG2 4.17Å; V238-V248 HydrophobicContact CG1-CB 4.39Å; V238-V248 HydrophobicContact CG1-CG2 3.9Å; L239-V248 HydrophobicContact CD1-CG1 4Å; L239-V248 HydrophobicContact CD2-CB 4.32Å; L239-V248 HydrophobicContact CD2-CG1 4.12Å; L239-V248 HydrophobicContact CG-CB 4.44Å; L239-V248 HydrophobicContact CG-CG1 3.8Å; V248-M296 HydrophobicContact CG1-CB 3.91Å; V248-M296 PolarHBondContact N-O 2.89Å; V248-M296 PolarHBondContact O-N 3.39Å; V248-K339 CarbonylContact C-O 3.51Å; V248-K339 VanDerWaalsContact CA-O 3.27Å; V248-K339 WeakPolarHBondContact CA-O 3.17Å; V248-T341 HydrophobicContact CG2-CG2 3.96Å
249G91.6Very high86.2Confident4 Ų434.3 Ų34.34%0.04117%0.171CC..EExtended strand (participates in β ladder)trans-110.2150.7172.600000112.9L294 K339 Y340 T341G249-L294 WeakPolarHBondContact CA-O 3.38Å; G249-K339 PolarHBondContact N-O 2.94Å; G249-Y340 CarbonylContact O-C 3.6Å; G249-Y340 WeakPolarHBondContact O-CA 3.29Å; G249-Y340 WeakPolarHBondContact O-CD2 3.4Å; G249-T341 PolarHBondContact O-N 2.86Å
250G89.8Confident85.8Confident1 Ų135.8 Ų35.81%0.0118%0.182CC..EExtended strand (participates in β ladder)trans-101.4176.6173.400000114.5V252 L294 Y340 S344G250-V252 PolarHBondContact O-N 3.35Å; G250-L294 PolarHBondContact N-O 3.31Å; G250-Y340 WeakPolarHBondContact O-CE2 3.17Å; G250-S344 CarbonylContact C-O 3.57Å; G250-S344 WeakPolarHBondContact CA-O 3.41Å
251D90.2Very high85.5Confident4 Ų436.4 Ų36.42%0.02118%0.181CC..EExtended strand (participates in β ladder)trans-78.2110.7175.1-170.843.8000111.2Q253 F274 N275 Y340 S344 K345 C346D251-Q253 WeakPolarHBondContact OD2-CG 3.41Å; D251-Q253 PolarHBondContact OD2-NE2 3.4Å; D251-F274 VanDerWaalsContact OD1-CB 3.27Å; D251-F274 WeakPolarHBondContact OD1-CB 3.5Å; D251-N275 PolarHBondContact OD1-ND2 3.34Å; D251-N275 VanDerWaalsContact OD1-ND2 3.14Å; D251-Y340 HydrophobicContact CB-CE2 4.24Å; D251-Y340 WeakPolarHBondContact CB-OH 3.28Å; D251-Y340 PolarHBondContact OD1-OH 3.43Å; D251-S344 PolarHBondContact N-O 3.42Å; D251-K345 HydrophobicContact CB-CG 4.25Å; D251-K345 WeakPolarHBondContact O-CA 3.48Å; D251-C346 PolarHBondContact O-N 2.81Å
252V88.5Confident85.4Confident2 Ų232.2 Ų32.21%0.01216%0.162CC..EExtended strand (participates in β ladder)trans-90.8117.7177.1-173.10000109.3G250 Y270 F274 P293 T348G250-V252 PolarHBondContact O-N 3.35Å; V252-Y270 HydrophobicContact CB-CD1 4.35Å; V252-Y270 HydrophobicContact CB-CE1 4.43Å; V252-Y270 HydrophobicContact CG1-CD1 4.19Å; V252-Y270 HydrophobicContact CG1-CE1 3.95Å; V252-Y270 WeakPolarHBondContact O-CD1 3.47Å; V252-F274 HydrophobicContact CB-CD2 4.29Å; V252-F274 HydrophobicContact CB-CE1 4.25Å; V252-F274 HydrophobicContact CB-CE2 3.61Å; V252-F274 HydrophobicContact CB-CZ 3.58Å; V252-F274 HydrophobicContact CG2-CE1 3.83Å; V252-F274 HydrophobicContact CG2-CE2 4.07Å; V252-F274 HydrophobicContact CG2-CZ 3.47Å; V252-F274 VanDerWaalsContact CG2-CZ 3.47Å; V252-P293 HydrophobicContact CG1-CB 4.15Å; V252-P293 HydrophobicContact CG1-CG 4.14Å; V252-P293 HydrophobicContact CG2-CB 4.11Å; V252-P293 HydrophobicContact CG2-CG 4.37Å; V252-T348 HydrophobicContact CG1-CG2 3.42Å; V252-T348 VanDerWaalsContact CG1-CG2 3.42Å
253Q88.1Confident85.4Confident60 Ų6029.9 Ų29.928%0.2815%0.149SC..EExtended strand (participates in β ladder)trans-110.5158.3177.6-61.2-172.613.300110.8D251 C346 L347 T348D251-Q253 WeakPolarHBondContact OD2-CG 3.41Å; D251-Q253 PolarHBondContact OD2-NE2 3.4Å; Q253-C346 WeakPolarHBondContact CA-O 3.35Å; Q253-C346 WeakPolarHBondContact CB-O 3.4Å; Q253-C346 PolarHBondContact N-O 3.41Å; Q253-L347 HydrophobicContact CB-CD2 3.68Å; Q253-L347 CarbonylContact O-C 3.56Å; Q253-L347 VanDerWaalsContact O-CA 3.29Å; Q253-L347 WeakPolarHBondContact O-CA 3.39Å; Q253-T348 PolarHBondContact O-N 3.22Å
254I86.6Confident85.3Confident8 Ų825.6 Ų25.64%0.04112%0.121CC..EExtended strand (participates in β ladder)trans-95.7126-177.8-59.9-51.9000110.3N256 Y270 T348 T350I254-N256 WeakPolarHBondContact CG2-OD1 3.32Å; I254-Y270 HydrophobicContact CD1-CD1 3.75Å; I254-Y270 HydrophobicContact CD1-CD2 4.43Å; I254-Y270 HydrophobicContact CD1-CE1 3.74Å; I254-Y270 HydrophobicContact CD1-CE2 4.41Å; I254-Y270 HydrophobicContact CD1-CG 4.11Å; I254-Y270 HydrophobicContact CG1-CD1 4.3Å; I254-Y270 HydrophobicContact CG1-CG 4.27Å; I254-T348 WeakPolarHBondContact CA-O 3.5Å; I254-T348 HydrophobicContact CD1-CG2 3.89Å; I254-T350 HydrophobicContact CD1-CG2 4.35Å; I254-T350 HydrophobicContact CG1-CG2 4.41Å; I254-T350 HydrophobicContact CG2-CG2 3.47Å; I254-T350 VanDerWaalsContact CG2-CG2 3.47Å
255L82.4Confident85.2Confident26 Ų2619.9 Ų19.914%0.1369%0.093CC..THydrogen-bonded Turntrans-70.8-51.5178.3-176.564.8000111.4Y107 M226 K257 L347 T348Y107-L255 HydrophobicContact CD1-CD2 4.22Å; Y107-L255 HydrophobicContact CE1-CD2 3.79Å; M226-L255 HydrophobicContact CE-CD1 4.12Å; M226-L255 HydrophobicContact CE-CD2 3.59Å; M226-L255 HydrophobicContact SD-CD1 3.97Å; M226-L255 HydrophobicContact SD-CD2 4.16Å; L255-K257 VanDerWaalsContact C-N 3.28Å; L255-K257 PolarHBondContact O-N 3.45Å; L255-K257 VanDerWaalsContact O-N 3.13Å; L255-L347 HydrophobicContact CB-CB 4.26Å; L255-L347 HydrophobicContact CD1-CB 4.26Å; L255-L347 HydrophobicContact CD1-CD1 4.31Å; L255-T348 PolarHBondContact N-O 3.15Å
256N82.2Confident85.1Confident4 Ų420.1 Ų20.12%0.02110%0.095CC..THydrogen-bonded Turntrans-89.236.3-171.965.8-33.6000114.4I254 Y258 E259 S263 T350 I352I254-N256 WeakPolarHBondContact CG2-OD1 3.32Å; N256-Y258 PolarHBondContact O-N 3.3Å; N256-E259 HydrophobicContact CB-CG 4Å; N256-E259 WeakPolarHBondContact CB-OE2 3.3Å; N256-E259 PolarHBondContact ND2-OE2 2.84Å; N256-E259 PolarHBondContact O-N 2.95Å; N256-E259 VanDerWaalsContact O-N 3.17Å; N256-S263 VanDerWaalsContact C-OG 3.23Å; N256-S263 WeakPolarHBondContact O-CB 3.3Å; N256-S263 PolarHBondContact O-OG 2.88Å; N256-T350 PolarHBondContact ND2-O 2.83Å; N256-T350 PolarHBondContact OD1-N 3.31Å; N256-I352 WeakPolarHBondContact ND2-CG2 3.5Å
257K76.8Confident85.1Confident49 Ų4921.1 Ų21.121%0.21310%0.102CC..THydrogen-bonded Turntrans-57.3-19.1-171.962.8-177.3159.7-172.50116.4L255 F264 H555L255-K257 VanDerWaalsContact C-N 3.28Å; L255-K257 PolarHBondContact O-N 3.45Å; L255-K257 VanDerWaalsContact O-N 3.13Å; K257-F264 VanDerWaalsContact O-CA 3.31Å; K257-F264 WeakPolarHBondContact O-CA 3.35Å; K257-F264 VanDerWaalsContact O-CB 3.31Å; K257-F264 WeakPolarHBondContact O-CB 3.42Å; K257-F264 PolarHBondContact O-N 2.89Å; K257-H555 WeakPolarHBondContact CE-CD2 3.41Å; K257-H555 WeakPolarHBondContact CE-NE2 3.45Å; K257-H555 PolarHBondContact NZ-CD2 3.32Å; K257-H555 PolarHBondContact NZ-NE2 3.27Å
258Y76Confident84.9Confident56 Ų5621.1 Ų21.122%0.2210%0.102CC..THydrogen-bonded Turntrans-112.58.6-176.4-58.5-55.3000113.9N256 I544 K551N256-Y258 PolarHBondContact O-N 3.3Å; Y258-I544 HydrophobicContact CD1-CG2 4.23Å; Y258-I544 HydrophobicContact CE1-CD1 4.2Å; Y258-K551 HydrophobicContact CE2-CB 4.16Å
259E77.6Confident84.8Confident73 Ų7324 Ų2434%0.34111%0.113SC..THydrogen-bonded Turntrans-81-32.9179.3-69.6-172.5168.600113.4N256 I352 Y556N256-E259 HydrophobicContact CB-CG 4Å; N256-E259 WeakPolarHBondContact CB-OE2 3.3Å; N256-E259 PolarHBondContact ND2-OE2 2.84Å; N256-E259 PolarHBondContact O-N 2.95Å; N256-E259 VanDerWaalsContact O-N 3.17Å; E259-I352 HydrophobicContact CB-CG2 3.96Å; E259-I352 VanDerWaalsContact OE2-CG2 3.32Å; E259-I352 WeakPolarHBondContact OE2-CG2 3.21Å; E259-Y556 PolarHBondContact OE1-OH 3.37Å
260S80.5Confident84.6Confident31 Ų3125.5 Ų25.522%0.21712%0.118CC..  trans-149.7151.9-177.3171.50000110.2I262 S263 F264 I352S260-I262 PolarHBondContact O-N 2.84Å; S260-I262 PolarHBondContact OG-N 3.27Å; S260-S263 PolarHBondContact O-N 3.17Å; S260-S263 VanDerWaalsContact O-N 3.14Å; S260-F264 PolarHBondContact O-N 2.96Å; S260-I352 WeakPolarHBondContact CB-O 3.46Å; S260-I352 PolarHBondContact OG-O 3.3Å
261W81.4Confident84.5Confident78 Ų7826.8 Ų26.830%0.29512%0.122SC..Hα-helixtrans-54.6-38.7172.1-177.8-65.4000111.5F264 L265 F448 L537 Y540W261-F264 PolarHBondContact O-N 3Å; W261-L265 PolarHBondContact O-N 2.96Å; W261-F448 AromaticContact CH2-CD2 3.85Å; W261-F448 HydrophobicContact CH2-CD2 3.85Å; W261-F448 AromaticContact CH2-CE2 3.42Å; W261-F448 HydrophobicContact CH2-CE2 3.42Å; W261-F448 VanDerWaalsContact CH2-CE2 3.42Å; W261-F448 AromaticContact CH2-CZ 3.92Å; W261-F448 HydrophobicContact CH2-CZ 3.92Å; W261-F448 HydrophobicContact CZ2-CB 4.44Å; W261-F448 AromaticContact CZ2-CD2 3.38Å; W261-F448 HydrophobicContact CZ2-CD2 3.38Å; W261-F448 AromaticContact CZ2-CE2 3.49Å; W261-F448 HydrophobicContact CZ2-CE2 3.49Å; W261-F448 VanDerWaalsContact CZ2-CE2 3.49Å; W261-F448 AromaticContact CZ2-CG 3.95Å; W261-F448 HydrophobicContact CZ2-CG 3.95Å; W261-F448 HydrophobicContact CZ2-CZ 4.13Å; W261-L537 HydrophobicContact CH2-CD2 3.62Å; W261-L537 HydrophobicContact CZ3-CD2 3.99Å; W261-Y540 HydrophobicContact CD2-CE1 4.21Å; W261-Y540 HydrophobicContact CD2-CE2 4.05Å; W261-Y540 AromaticContact CD2-CZ 3.83Å; W261-Y540 AromaticContact CE3-CD1 3.61Å; W261-Y540 HydrophobicContact CE3-CD1 3.61Å; W261-Y540 HydrophobicContact CE3-CD2 4.14Å; W261-Y540 AromaticContact CE3-CE1 3.2Å; W261-Y540 HydrophobicContact CE3-CE1 3.2Å; W261-Y540 AromaticContact CE3-CE2 3.76Å; W261-Y540 HydrophobicContact CE3-CE2 3.76Å; W261-Y540 HydrophobicContact CE3-CG 4.06Å; W261-Y540 AromaticContact CE3-CZ 3.26Å; W261-Y540 HydrophobicContact CH2-CD1 4.03Å; W261-Y540 HydrophobicContact CH2-CD2 4.08Å; W261-Y540 HydrophobicContact CH2-CE1 4.44Å; W261-Y540 HydrophobicContact CH2-CE2 4.46Å; W261-Y540 AromaticContact CH2-CG 3.83Å; W261-Y540 HydrophobicContact CH2-CG 3.83Å; W261-Y540 AromaticContact CZ3-CD1 3.18Å; W261-Y540 HydrophobicContact CZ3-CD1 3.18Å; W261-Y540 AromaticContact CZ3-CD2 3.87Å; W261-Y540 HydrophobicContact CZ3-CD2 3.87Å; W261-Y540 AromaticContact CZ3-CE1 3.35Å; W261-Y540 HydrophobicContact CZ3-CE1 3.35Å; W261-Y540 AromaticContact CZ3-CE2 3.99Å; W261-Y540 HydrophobicContact CZ3-CE2 3.99Å; W261-Y540 AromaticContact CZ3-CG 3.46Å; W261-Y540 HydrophobicContact CZ3-CG 3.46Å; W261-Y540 VanDerWaalsContact CZ3-CG 3.46Å; W261-Y540 AromaticContact CZ3-CZ 3.75Å
262I84.6Confident84.3Confident18 Ų1826.6 Ų26.69%0.09212%0.121CC..Hα-helixtrans-66.7-41.5179.2-61.2-58.6000111.4S260 S266 Y354 W357 L452S260-I262 PolarHBondContact O-N 2.84Å; S260-I262 PolarHBondContact OG-N 3.27Å; I262-S266 VanDerWaalsContact O-CB 3.28Å; I262-S266 WeakPolarHBondContact O-CB 3.05Å; I262-S266 PolarHBondContact O-N 2.92Å; I262-S266 PolarHBondContact O-OG 2.63Å; I262-Y354 HydrophobicContact CD1-CD2 3.88Å; I262-Y354 HydrophobicContact CG1-CD2 4.44Å; I262-W357 HydrophobicContact CG2-CB 3.74Å; I262-W357 HydrophobicContact CG2-CD2 3.99Å; I262-W357 HydrophobicContact CG2-CG 3.51Å; I262-L452 HydrophobicContact CD1-CD1 4.18Å; I262-L452 HydrophobicContact CD1-CD2 4.46Å
263S83.6Confident84.3Confident0 Ų027.3 Ų27.30%013%0.127CC..Hα-helixtrans-64.1-42.8175.8175.50000111.3N256 S260 S266 S267 T350N256-S263 VanDerWaalsContact C-OG 3.23Å; N256-S263 WeakPolarHBondContact O-CB 3.3Å; N256-S263 PolarHBondContact O-OG 2.88Å; S260-S263 PolarHBondContact O-N 3.17Å; S260-S263 VanDerWaalsContact O-N 3.14Å; S263-S266 PolarHBondContact O-N 2.95Å; S263-S267 PolarHBondContact O-N 3.11Å; S263-T350 WeakPolarHBondContact OG-CG2 3.42Å
264F84.8Confident84.3Confident2 Ų225.1 Ų25.11%0.00912%0.117CC..Hα-helixtrans-60.2-51.6175.8178.4-105.5000112.3K257 S260 W261 S266 S267 V268 V442 F445 Y540 I544K257-F264 VanDerWaalsContact O-CA 3.31Å; K257-F264 WeakPolarHBondContact O-CA 3.35Å; K257-F264 VanDerWaalsContact O-CB 3.31Å; K257-F264 WeakPolarHBondContact O-CB 3.42Å; K257-F264 PolarHBondContact O-N 2.89Å; S260-F264 PolarHBondContact O-N 2.96Å; W261-F264 PolarHBondContact O-N 3Å; F264-S266 VanDerWaalsContact C-N 3.28Å; F264-S266 PolarHBondContact O-N 3.33Å; F264-S267 WeakPolarHBondContact O-CB 3.39Å; F264-S267 PolarHBondContact O-N 3.33Å; F264-S267 VanDerWaalsContact O-N 3.1Å; F264-S267 PolarHBondContact O-OG 3.42Å; F264-V268 HydrophobicContact CE1-CG2 4.38Å; F264-V268 HydrophobicContact CE2-CG2 4.39Å; F264-V268 HydrophobicContact CZ-CG2 4.14Å; F264-V268 PolarHBondContact O-N 2.96Å; F264-V442 HydrophobicContact CE2-CG1 3.74Å; F264-V442 HydrophobicContact CZ-CG1 3.75Å; F264-F445 HydrophobicContact CE1-CB 3.59Å; F264-F445 AromaticContact CE1-CD2 3.82Å; F264-F445 HydrophobicContact CE1-CD2 3.82Å; F264-F445 AromaticContact CE1-CG 3.73Å; F264-F445 HydrophobicContact CE1-CG 3.73Å; F264-F445 HydrophobicContact CZ-CB 4.06Å; F264-F445 AromaticContact CZ-CD2 3.6Å; F264-F445 HydrophobicContact CZ-CD2 3.6Å; F264-F445 HydrophobicContact CZ-CE2 4.34Å; F264-F445 HydrophobicContact CZ-CG 4.02Å; F264-Y540 HydrophobicContact CD1-CD2 4.32Å; F264-Y540 AromaticContact CD1-CE2 3.7Å; F264-Y540 HydrophobicContact CD1-CE2 3.7Å; F264-Y540 HydrophobicContact CE1-CD2 4.22Å; F264-Y540 HydrophobicContact CE1-CE2 4.04Å; F264-Y540 HydrophobicContact CG-CE2 4.34Å; F264-I544 HydrophobicContact CD2-CD1 3.99Å; F264-I544 HydrophobicContact CE1-CD1 4.26Å; F264-I544 HydrophobicContact CE1-CG1 4.27Å; F264-I544 HydrophobicContact CE2-CD1 3.31Å; F264-I544 HydrophobicContact CE2-CG1 4.15Å; F264-I544 HydrophobicContact CZ-CD1 3.46Å; F264-I544 VanDerWaalsContact CZ-CD1 3.46Å; F264-I544 HydrophobicContact CZ-CG1 3.94Å
265L85.5Confident84.3Confident2 Ų225.3 Ų25.31%0.0112%0.118CC..Hα-helixtrans-63.2-35.4177.8-71.7-170.9000112.5W261 S267 V268 R269 F448 L452W261-L265 PolarHBondContact O-N 2.96Å; L265-S267 VanDerWaalsContact C-N 3.33Å; L265-V268 PolarHBondContact O-N 2.95Å; L265-R269 WeakPolarHBondContact O-CB 3.41Å; L265-R269 PolarHBondContact O-N 2.89Å; L265-F448 HydrophobicContact CD1-CB 4.12Å; L265-F448 HydrophobicContact CD2-CB 3.82Å; L265-L452 HydrophobicContact CB-CD1 4.27Å; L265-L452 HydrophobicContact CD1-CD1 3.41Å; L265-L452 VanDerWaalsContact CD1-CD1 3.41Å; L265-L452 HydrophobicContact CD1-CG 4.06Å; L265-L452 HydrophobicContact CG-CD1 4.5Å
266S87.1Confident84.6Confident4 Ų424.2 Ų24.23%0.02811%0.112CC..Hα-helixtrans-62.9-41173.6-60.50000111I262 S263 F264 V268 R269 Y270 W357I262-S266 VanDerWaalsContact O-CB 3.28Å; I262-S266 WeakPolarHBondContact O-CB 3.05Å; I262-S266 PolarHBondContact O-N 2.92Å; I262-S266 PolarHBondContact O-OG 2.63Å; S263-S266 PolarHBondContact O-N 2.95Å; F264-S266 VanDerWaalsContact C-N 3.28Å; F264-S266 PolarHBondContact O-N 3.33Å; S266-V268 PolarHBondContact O-N 3.49Å; S266-R269 PolarHBondContact O-N 3.49Å; S266-Y270 WeakPolarHBondContact O-CB 3.27Å; S266-Y270 VanDerWaalsContact O-CD2 3.22Å; S266-Y270 WeakPolarHBondContact O-CD2 3.5Å; S266-Y270 PolarHBondContact O-N 3.21Å; S266-W357 PolarHBondContact OG-NE1 2.96Å; S266-W357 VanDerWaalsContact OG-NE1 3.16Å
267S86.9Confident84.9Confident22 Ų2225.9 Ų25.915%0.15412%0.12CC..Hα-helixtrans-60.7-41.2177.281.70000113.2S263 F264 L265 W271S263-S267 PolarHBondContact O-N 3.11Å; F264-S267 WeakPolarHBondContact O-CB 3.39Å; F264-S267 PolarHBondContact O-N 3.33Å; F264-S267 VanDerWaalsContact O-N 3.1Å; F264-S267 PolarHBondContact O-OG 3.42Å; L265-S267 VanDerWaalsContact C-N 3.33Å; S267-W271 PolarHBondContact O-N 2.86Å; S267-W271 VanDerWaalsContact O-N 3.14Å
268V86.9Confident85.6Confident0 Ų025.5 Ų25.50%012%0.117CC..Hα-helixtrans-70.7-40.6178.6-178.60000110.5F264 L265 S266 W271 M272 M443 M446F264-V268 HydrophobicContact CE1-CG2 4.38Å; F264-V268 HydrophobicContact CE2-CG2 4.39Å; F264-V268 HydrophobicContact CZ-CG2 4.14Å; F264-V268 PolarHBondContact O-N 2.96Å; L265-V268 PolarHBondContact O-N 2.95Å; S266-V268 PolarHBondContact O-N 3.49Å; V268-W271 PolarHBondContact O-N 3.12Å; V268-M272 PolarHBondContact O-N 3.05Å; V268-M443 HydrophobicContact CB-CE 4.49Å; V268-M443 HydrophobicContact CG1-CE 3.95Å; V268-M443 HydrophobicContact CG1-SD 3.82Å; V268-M446 HydrophobicContact CB-SD 4.46Å; V268-M446 HydrophobicContact CG1-CB 3.58Å; V268-M446 HydrophobicContact CG1-CG 4.16Å; V268-M446 HydrophobicContact CG1-SD 3.82Å
269R89.2Confident86.2Confident59 Ų5922.8 Ų22.822%0.22311%0.107CC..Hα-helixtrans-62.8-42.2174.7172.262.5-178.7107.9-9112.5L265 S266 W271 M272 A273 E277 M446 Y449L265-R269 WeakPolarHBondContact O-CB 3.41Å; L265-R269 PolarHBondContact O-N 2.89Å; S266-R269 PolarHBondContact O-N 3.49Å; R269-W271 VanDerWaalsContact C-N 3.35Å; R269-M272 PolarHBondContact O-N 2.81Å; R269-A273 VanDerWaalsContact NH1-CA 3.31Å; R269-A273 PolarHBondContact O-N 3.4Å; R269-E277 IonicContact CZ-OE1 3.07Å; R269-E277 IonicContact CZ-OE2 3.6Å; R269-E277 IonicContact NH1-OE1 3.45Å; R269-E277 PolarHBondContact NH1-OE1 3.38Å; R269-E277 IonicContact NH1-OE2 2.89Å; R269-E277 PolarHBondContact NH1-OE2 3.42Å; R269-E277 IonicContact NH2-OE1 3.68Å; R269-E277 PolarHBondContact NH2-OE1 3.37Å; R269-E277 IonicContact NH2-OE2 3.41Å; R269-E277 PolarHBondContact NH2-OE2 2.86Å; R269-M446 HydrophobicContact CB-SD 4.43Å; R269-Y449 HydrophobicContact CB-CD2 3.85Å; R269-Y449 HydrophobicContact CB-CE2 3.62Å; R269-Y449 HydrophobicContact CB-CG 4.39Å; R269-Y449 HydrophobicContact CG-CD2 4.3Å; R269-Y449 HydrophobicContact CG-CE1 4.06Å; R269-Y449 HydrophobicContact CG-CE2 3.63Å; R269-Y449 VanDerWaalsContact CG-CZ 3.47Å; R269-Y449 WeakPolarHBondContact CG-OH 3.36Å
270Y87.9Confident86.9Confident37 Ų3719.3 Ų19.315%0.1459%0.09CC..Hα-helixtrans-58.5-49.6177.2-96.5-124.4000110.1V252 I254 S266 M272 A273 F274 W364V252-Y270 HydrophobicContact CB-CD1 4.35Å; V252-Y270 HydrophobicContact CB-CE1 4.43Å; V252-Y270 HydrophobicContact CG1-CD1 4.19Å; V252-Y270 HydrophobicContact CG1-CE1 3.95Å; V252-Y270 WeakPolarHBondContact O-CD1 3.47Å; I254-Y270 HydrophobicContact CD1-CD1 3.75Å; I254-Y270 HydrophobicContact CD1-CD2 4.43Å; I254-Y270 HydrophobicContact CD1-CE1 3.74Å; I254-Y270 HydrophobicContact CD1-CE2 4.41Å; I254-Y270 HydrophobicContact CD1-CG 4.11Å; I254-Y270 HydrophobicContact CG1-CD1 4.3Å; I254-Y270 HydrophobicContact CG1-CG 4.27Å; S266-Y270 WeakPolarHBondContact O-CB 3.27Å; S266-Y270 VanDerWaalsContact O-CD2 3.22Å; S266-Y270 WeakPolarHBondContact O-CD2 3.5Å; S266-Y270 PolarHBondContact O-N 3.21Å; Y270-M272 VanDerWaalsContact C-N 3.28Å; Y270-M272 PolarHBondContact O-N 3.18Å; Y270-A273 WeakPolarHBondContact O-CA 3.36Å; Y270-A273 WeakPolarHBondContact O-CB 3.4Å; Y270-A273 PolarHBondContact O-N 3.45Å; Y270-F274 HydrophobicContact CD1-CD2 4.36Å; Y270-F274 AromaticContact CD1-CE2 3.73Å; Y270-F274 HydrophobicContact CD1-CE2 3.73Å; Y270-F274 HydrophobicContact CE1-CE2 4.21Å; Y270-F274 HydrophobicContact CG-CE2 4.35Å; Y270-F274 VanDerWaalsContact O-CD2 3.23Å; Y270-F274 WeakPolarHBondContact O-CD2 3.41Å; Y270-F274 PolarHBondContact O-N 3.47Å; Y270-W364 HydrophobicContact CE2-CH2 4.17Å; Y270-W364 HydrophobicContact CE2-CZ3 4.19Å; Y270-W364 AromaticContact CZ-CH2 3.96Å; Y270-W364 WeakPolarHBondContact OH-CH2 3.36Å
271W88.4Confident87.3Confident27 Ų2718 Ų1810%0.1028%0.081CC..Hα-helixtrans-54.9-44.8177.6-17185.1000112.1S267 V268 R269 F274 N275 I276 A434 L437 R438 M443S267-W271 PolarHBondContact O-N 2.86Å; S267-W271 VanDerWaalsContact O-N 3.14Å; V268-W271 PolarHBondContact O-N 3.12Å; R269-W271 VanDerWaalsContact C-N 3.35Å; W271-F274 PolarHBondContact O-N 2.86Å; W271-N275 VanDerWaalsContact CD1-ND2 3.25Å; W271-N275 HydrophobicContact CD2-CB 4.19Å; W271-N275 HydrophobicContact CH2-CB 4.35Å; W271-N275 HydrophobicContact CZ2-CB 3.98Å; W271-N275 PolarHBondContact NE1-ND2 3.05Å; W271-N275 VanDerWaalsContact O-CB 3.27Å; W271-N275 WeakPolarHBondContact O-CB 3.36Å; W271-N275 PolarHBondContact O-N 2.82Å; W271-N275 PolarHBondContact O-ND2 3.34Å; W271-I276 HydrophobicContact CZ3-CD1 4.41Å; W271-A434 HydrophobicContact CZ3-CB 4.02Å; W271-L437 HydrophobicContact CH2-CB 4.2Å; W271-L437 HydrophobicContact CH2-CD2 3.91Å; W271-L437 HydrophobicContact CH2-CG 3.98Å; W271-R438 HydrophobicContact CH2-CB 3.8Å; W271-R438 HydrophobicContact CH2-CG 4.43Å; W271-R438 HydrophobicContact CZ2-CB 3.62Å; W271-R438 HydrophobicContact CZ2-CG 3.79Å; W271-M443 HydrophobicContact CB-CE 3.55Å; W271-M443 HydrophobicContact CD2-CE 3.54Å; W271-M443 HydrophobicContact CD2-SD 3.96Å; W271-M443 HydrophobicContact CE3-CE 3.63Å; W271-M443 HydrophobicContact CE3-CG 4.47Å; W271-M443 HydrophobicContact CE3-SD 3.39Å; W271-M443 HydrophobicContact CG-CE 3.5Å; W271-M443 VanDerWaalsContact CG-CE 3.5Å; W271-M443 HydrophobicContact CG-SD 4.47Å; W271-M443 HydrophobicContact CZ3-SD 3.91Å
272M86.3Confident87.8Confident0 Ų014.4 Ų14.40%07%0.067CC..Hα-helixtrans-65.2-37.9175.4-67.6-56.4-100.900113.3V268 R269 Y270 I276 E277 K430 A434 M443 M446V268-M272 PolarHBondContact O-N 3.05Å; R269-M272 PolarHBondContact O-N 2.81Å; Y270-M272 VanDerWaalsContact C-N 3.28Å; Y270-M272 PolarHBondContact O-N 3.18Å; M272-I276 HydrophobicContact CE-CD1 3.34Å; M272-I276 WeakPolarHBondContact O-CB 3.4Å; M272-I276 PolarHBondContact O-N 2.9Å; M272-I276 HydrophobicContact SD-CD1 3.39Å; M272-I276 WeakPolarHBondContact SD-CD1 3.42Å; M272-I276 HydrophobicContact SD-CG1 4.12Å; M272-E277 PolarHBondContact O-N 3.05Å; M272-K430 HydrophobicContact CE-CD 4.35Å; M272-K430 HydrophobicContact CE-CG 3.72Å; M272-A434 HydrophobicContact CE-CB 3.31Å; M272-A434 HydrophobicContact SD-CB 3.43Å; M272-A434 WeakPolarHBondContact SD-CB 3.45Å; M272-M443 HydrophobicContact SD-SD 4.42Å; M272-M446 HydrophobicContact CG-CG 4.28Å; M272-M446 HydrophobicContact CG-SD 4.33Å
273A87.4Confident88.1Confident18 Ų1817.8 Ų17.815%0.1498%0.08CC..Iπ-helixtrans-60.7-49.6177.200000110.8R269 Y270 E277 R278R269-A273 VanDerWaalsContact NH1-CA 3.31Å; R269-A273 PolarHBondContact O-N 3.4Å; Y270-A273 WeakPolarHBondContact O-CA 3.36Å; Y270-A273 WeakPolarHBondContact O-CB 3.4Å; Y270-A273 PolarHBondContact O-N 3.45Å; A273-E277 WeakPolarHBondContact O-CB 3.24Å; A273-E277 PolarHBondContact O-N 3.3Å; A273-R278 VanDerWaalsContact O-CG 3.3Å; A273-R278 WeakPolarHBondContact O-CG 3.27Å; A273-R278 PolarHBondContact O-N 2.95Å
274F87.6Confident88.3Confident14 Ų1419.5 Ų19.56%0.0619%0.087CC..Iπ-helixtrans-79.9-50.4-174.5-73-77.3000112.1D251 V252 Y270 W271 I276 R278 A279 S291 Y340D251-F274 VanDerWaalsContact OD1-CB 3.27Å; D251-F274 WeakPolarHBondContact OD1-CB 3.5Å; V252-F274 HydrophobicContact CB-CD2 4.29Å; V252-F274 HydrophobicContact CB-CE1 4.25Å; V252-F274 HydrophobicContact CB-CE2 3.61Å; V252-F274 HydrophobicContact CB-CZ 3.58Å; V252-F274 HydrophobicContact CG2-CE1 3.83Å; V252-F274 HydrophobicContact CG2-CE2 4.07Å; V252-F274 HydrophobicContact CG2-CZ 3.47Å; V252-F274 VanDerWaalsContact CG2-CZ 3.47Å; Y270-F274 HydrophobicContact CD1-CD2 4.36Å; Y270-F274 AromaticContact CD1-CE2 3.73Å; Y270-F274 HydrophobicContact CD1-CE2 3.73Å; Y270-F274 HydrophobicContact CE1-CE2 4.21Å; Y270-F274 HydrophobicContact CG-CE2 4.35Å; Y270-F274 VanDerWaalsContact O-CD2 3.23Å; Y270-F274 WeakPolarHBondContact O-CD2 3.41Å; Y270-F274 PolarHBondContact O-N 3.47Å; W271-F274 PolarHBondContact O-N 2.86Å; F274-I276 PolarHBondContact O-N 2.63Å; F274-R278 HydrophobicContact CD1-CG 4.26Å; F274-R278 WeakPolarHBondContact O-CB 3.43Å; F274-A279 PolarHBondContact O-N 2.69Å; F274-A279 VanDerWaalsContact O-N 3.09Å; F274-S291 VanDerWaalsContact CE1-OG 3.3Å; F274-S291 WeakPolarHBondContact CE1-OG 3.4Å; F274-S291 WeakPolarHBondContact CZ-OG 3.46Å; F274-Y340 HydrophobicContact CB-CE2 3.88Å; F274-Y340 HydrophobicContact CD1-CD2 4.22Å; F274-Y340 AromaticContact CD1-CE2 3.74Å; F274-Y340 HydrophobicContact CD1-CE2 3.74Å; F274-Y340 HydrophobicContact CG-CE2 4.27Å; F274-Y340 VanDerWaalsContact O-CE1 3.25Å; F274-Y340 WeakPolarHBondContact O-CE1 3.43Å
275N87.8Confident88.4Confident11 Ų1119.9 Ų19.96%0.0599%0.091CC..Iπ-helixtrans-81.9-14.7-170.8-68.5-84.7000114.1H77 D251 W271 A279 Y340H77-N275 PolarHBondContact CE1-OD1 3.32Å; H77-N275 PolarHBondContact NE2-O 3.01Å; D251-N275 PolarHBondContact OD1-ND2 3.34Å; D251-N275 VanDerWaalsContact OD1-ND2 3.14Å; W271-N275 VanDerWaalsContact CD1-ND2 3.25Å; W271-N275 HydrophobicContact CD2-CB 4.19Å; W271-N275 HydrophobicContact CH2-CB 4.35Å; W271-N275 HydrophobicContact CZ2-CB 3.98Å; W271-N275 PolarHBondContact NE1-ND2 3.05Å; W271-N275 VanDerWaalsContact O-CB 3.27Å; W271-N275 WeakPolarHBondContact O-CB 3.36Å; W271-N275 PolarHBondContact O-N 2.82Å; W271-N275 PolarHBondContact O-ND2 3.34Å; N275-A279 VanDerWaalsContact O-CB 3.3Å; N275-A279 WeakPolarHBondContact O-CB 3.31Å; N275-Y340 PolarHBondContact OD1-OH 3.45Å
276I87.7Confident88.5Confident4 Ų419.8 Ų19.82%0.0219%0.091CC..Iπ-helixtrans-116.8-62175.5-55.3-172.6000110.6Q69 A73 W271 M272 F274 C280 L437Q69-I276 HydrophobicContact CG-CG2 4.21Å; A73-I276 HydrophobicContact CB-CG2 4.29Å; W271-I276 HydrophobicContact CZ3-CD1 4.41Å; M272-I276 HydrophobicContact CE-CD1 3.34Å; M272-I276 WeakPolarHBondContact O-CB 3.4Å; M272-I276 PolarHBondContact O-N 2.9Å; M272-I276 HydrophobicContact SD-CD1 3.39Å; M272-I276 WeakPolarHBondContact SD-CD1 3.42Å; M272-I276 HydrophobicContact SD-CG1 4.12Å; F274-I276 PolarHBondContact O-N 2.63Å; I276-C280 VanDerWaalsContact O-CB 3.27Å; I276-C280 WeakPolarHBondContact O-CB 3.43Å; I276-C280 PolarHBondContact O-N 3.47Å; I276-L437 HydrophobicContact CD1-CD2 4.42Å; I276-L437 HydrophobicContact CG1-CD2 4.24Å
277E90.1Very high88.5Confident38 Ų3819.7 Ų19.718%0.1789%0.09CC..Iπ-helixtrans-66.3-51.2-171.5-56.2169.3-179.800110.8R269 M272 A273 Q281 K430R269-E277 IonicContact CZ-OE1 3.07Å; R269-E277 IonicContact CZ-OE2 3.6Å; R269-E277 IonicContact NH1-OE1 3.45Å; R269-E277 PolarHBondContact NH1-OE1 3.38Å; R269-E277 IonicContact NH1-OE2 2.89Å; R269-E277 PolarHBondContact NH1-OE2 3.42Å; R269-E277 IonicContact NH2-OE1 3.68Å; R269-E277 PolarHBondContact NH2-OE1 3.37Å; R269-E277 IonicContact NH2-OE2 3.41Å; R269-E277 PolarHBondContact NH2-OE2 2.86Å; M272-E277 PolarHBondContact O-N 3.05Å; A273-E277 WeakPolarHBondContact O-CB 3.24Å; A273-E277 PolarHBondContact O-N 3.3Å; E277-Q281 WeakPolarHBondContact O-CG 3.49Å; E277-Q281 PolarHBondContact O-N 3.46Å; E277-K430 IonicContact OE1-NZ 3.97Å
278R90.7Very high88.3Confident41 Ų4119.3 Ų19.316%0.1559%0.086CC..Iπ-helixtrans-72.5-36.8178.4-62.2-74.2176.3-125.7-10.2113A273 F274 C280 Q281 S282 C289 Y340A273-R278 VanDerWaalsContact O-CG 3.3Å; A273-R278 WeakPolarHBondContact O-CG 3.27Å; A273-R278 PolarHBondContact O-N 2.95Å; F274-R278 HydrophobicContact CD1-CG 4.26Å; F274-R278 WeakPolarHBondContact O-CB 3.43Å; R278-C280 VanDerWaalsContact C-N 3.34Å; R278-C280 PolarHBondContact O-N 3.42Å; R278-Q281 WeakPolarHBondContact O-CB 3.42Å; R278-Q281 PolarHBondContact O-N 2.76Å; R278-S282 PolarHBondContact O-N 2.99Å; R278-C289 PolarHBondContact NE-O 3.46Å; R278-Y340 HydrophobicContact CB-CD1 4.44Å; R278-Y340 HydrophobicContact CB-CD2 4.34Å; R278-Y340 HydrophobicContact CB-CG 4.12Å
279A89.2Confident88.1Confident0 Ų020 Ų200%09%0.09CC..Hα-helixtrans-60.1-43.6174.400000111.9A73 F274 N275 Q281 S282 Y283 Y340A73-A279 HydrophobicContact CB-CB 3.98Å; F274-A279 PolarHBondContact O-N 2.69Å; F274-A279 VanDerWaalsContact O-N 3.09Å; N275-A279 VanDerWaalsContact O-CB 3.3Å; N275-A279 WeakPolarHBondContact O-CB 3.31Å; A279-Q281 VanDerWaalsContact C-N 3.33Å; A279-Q281 PolarHBondContact O-N 2.93Å; A279-S282 WeakPolarHBondContact O-CB 3.38Å; A279-S282 PolarHBondContact O-N 2.93Å; A279-Y283 PolarHBondContact O-N 3Å; A279-Y340 HydrophobicContact CB-CD1 4.18Å; A279-Y340 HydrophobicContact CB-CE1 4.17Å
280C90.9Very high88Confident0 Ų017.2 Ų17.20%08%0.08CC..Hα-helixtrans-61.2-41.8173.4-178.10000112Q69 A73 I276 R278 S282 Y283 F284 W385Q69-C280 HydrophobicContact CG-CB 3.81Å; Q69-C280 WeakPolarHBondContact O-CB 3.31Å; A73-C280 HydrophobicContact CB-CB 4.37Å; I276-C280 VanDerWaalsContact O-CB 3.27Å; I276-C280 WeakPolarHBondContact O-CB 3.43Å; I276-C280 PolarHBondContact O-N 3.47Å; R278-C280 VanDerWaalsContact C-N 3.34Å; R278-C280 PolarHBondContact O-N 3.42Å; C280-S282 VanDerWaalsContact C-N 3.32Å; C280-S282 PolarHBondContact O-N 3.03Å; C280-Y283 WeakPolarHBondContact O-CB 3.33Å; C280-Y283 PolarHBondContact O-N 3.08Å; C280-F284 WeakPolarHBondContact O-CD2 3.48Å; C280-W385 VanDerWaalsContact SG-CE2 3.59Å; C280-W385 WeakPolarHBondContact SG-CZ2 3.11Å
281Q90.2Very high87.7Confident4 Ų416.6 Ų16.62%0.0198%0.081CC..Hα-helixtrans-65.7-34.8176.6-70.2172.6-0.800112.7E277 R278 A279 Y283 F284 G285 C286 V287 E389E277-Q281 WeakPolarHBondContact O-CG 3.49Å; E277-Q281 PolarHBondContact O-N 3.46Å; R278-Q281 WeakPolarHBondContact O-CB 3.42Å; R278-Q281 PolarHBondContact O-N 2.76Å; A279-Q281 VanDerWaalsContact C-N 3.33Å; A279-Q281 PolarHBondContact O-N 2.93Å; Q281-Y283 VanDerWaalsContact C-N 3.35Å; Q281-F284 CarbonylContact O-C 3.52Å; Q281-F284 PolarHBondContact O-N 3.3Å; Q281-G285 PolarHBondContact O-N 3.2Å; Q281-G285 VanDerWaalsContact O-N 3.12Å; Q281-C286 PolarHBondContact O-N 3.47Å; Q281-V287 HydrophobicContact CB-CB 4.48Å; Q281-V287 HydrophobicContact CB-CG2 3.93Å; Q281-E389 WeakPolarHBondContact CG-OE2 3.33Å; Q281-E389 PolarHBondContact NE2-OE1 3.24Å; Q281-E389 PolarHBondContact NE2-OE2 3.16Å
282S91.3Very high87Confident1 Ų115.4 Ų15.41%0.0078%0.078CC..Hα-helixtrans-63.7-39.4177-172.90000112.4E76 R278 A279 C280 F284 G285 Y340E76-S282 WeakPolarHBondContact OE1-CB 3.16Å; E76-S282 PolarHBondContact OE1-OG 2.87Å; R278-S282 PolarHBondContact O-N 2.99Å; A279-S282 WeakPolarHBondContact O-CB 3.38Å; A279-S282 PolarHBondContact O-N 2.93Å; C280-S282 VanDerWaalsContact C-N 3.32Å; C280-S282 PolarHBondContact O-N 3.03Å; S282-F284 PolarHBondContact O-N 3.17Å; S282-G285 PolarHBondContact O-N 2.67Å; S282-Y340 PolarHBondContact OG-N 2.9Å; S282-Y340 PolarHBondContact OG-O 3.29Å
283Y90Very high86.7Confident90 Ų9016 Ų1635%0.3538%0.081SC..Hα-helixtrans-55.3-38175.3-172.1-95.2000112.3F72 L75 E76 A279 C280 Q281F72-Y283 HydrophobicContact CB-CD1 4.44Å; F72-Y283 HydrophobicContact CB-CG 4.49Å; F72-Y283 AromaticContact CD1-CD1 3.48Å; F72-Y283 HydrophobicContact CD1-CD1 3.48Å; F72-Y283 VanDerWaalsContact CD1-CD1 3.48Å; F72-Y283 AromaticContact CD1-CE1 3.43Å; F72-Y283 HydrophobicContact CD1-CE1 3.43Å; F72-Y283 VanDerWaalsContact CD1-CE1 3.43Å; F72-Y283 HydrophobicContact CD1-CG 4.13Å; F72-Y283 HydrophobicContact CE1-CD1 4.06Å; F72-Y283 AromaticContact CE1-CE1 3.6Å; F72-Y283 HydrophobicContact CE1-CE1 3.6Å; F72-Y283 HydrophobicContact CG-CD1 4.23Å; L75-Y283 HydrophobicContact CB-CD2 4.19Å; L75-Y283 HydrophobicContact CB-CE2 3.91Å; L75-Y283 HydrophobicContact CD1-CE2 4.44Å; E76-Y283 HydrophobicContact CB-CD2 4.32Å; E76-Y283 WeakPolarHBondContact OE2-CA 3.49Å; A279-Y283 PolarHBondContact O-N 3Å; C280-Y283 WeakPolarHBondContact O-CB 3.33Å; C280-Y283 PolarHBondContact O-N 3.08Å; Q281-Y283 VanDerWaalsContact C-N 3.35Å
284F88.1Confident86.7Confident35 Ų3515.1 Ų15.115%0.1547%0.074CC..THydrogen-bonded Turntrans-91.53.1177.2-64.4-68.4000113.8F72 C280 Q281 S282 C286 H383 W385F72-F284 HydrophobicContact CB-CE2 4.28Å; F72-F284 HydrophobicContact CD1-CE2 4.32Å; F72-F284 AromaticContact CD1-CZ 3.98Å; F72-F284 HydrophobicContact CD1-CZ 3.98Å; F72-F284 AromaticContact CD2-CE2 3.83Å; F72-F284 HydrophobicContact CD2-CE2 3.83Å; F72-F284 AromaticContact CD2-CZ 3.75Å; F72-F284 HydrophobicContact CD2-CZ 3.75Å; F72-F284 AromaticContact CE1-CZ 3.93Å; F72-F284 HydrophobicContact CE1-CZ 3.93Å; F72-F284 HydrophobicContact CE2-CE2 4.22Å; F72-F284 AromaticContact CE2-CZ 3.67Å; F72-F284 HydrophobicContact CE2-CZ 3.67Å; F72-F284 AromaticContact CG-CE2 3.89Å; F72-F284 HydrophobicContact CG-CE2 3.89Å; F72-F284 AromaticContact CG-CZ 3.91Å; F72-F284 HydrophobicContact CG-CZ 3.91Å; F72-F284 AromaticContact CZ-CZ 3.79Å; F72-F284 HydrophobicContact CZ-CZ 3.79Å; C280-F284 WeakPolarHBondContact O-CD2 3.48Å; Q281-F284 CarbonylContact O-C 3.52Å; Q281-F284 PolarHBondContact O-N 3.3Å; S282-F284 PolarHBondContact O-N 3.17Å; F284-C286 PolarHBondContact O-N 2.87Å; F284-H383 HydrophobicContact CB-CB 4.29Å; F284-H383 AromaticContact CD1-CE1 3.38Å; F284-H383 WeakPolarHBondContact CD1-CE1 3.49Å; F284-H383 AromaticContact CD1-CG 3.73Å; F284-H383 AromaticContact CD1-ND1 3.2Å; F284-H383 WeakPolarHBondContact CD1-ND1 3.25Å; F284-H383 AromaticContact CD1-NE2 3.96Å; F284-H383 AromaticContact CE1-CE1 3.33Å; F284-H383 WeakPolarHBondContact CE1-CE1 3.38Å; F284-H383 AromaticContact CE1-ND1 3.63Å; F284-H383 AromaticContact CE1-NE2 4Å; F284-H383 AromaticContact CG-ND1 3.83Å; F284-W385 HydrophobicContact CB-CB 4.33Å; F284-W385 HydrophobicContact CD1-CB 4.14Å; F284-W385 HydrophobicContact CD2-CB 3.65Å; F284-W385 AromaticContact CD2-CD1 3.33Å; F284-W385 AromaticContact CD2-CD2 3.89Å; F284-W385 HydrophobicContact CD2-CD2 3.89Å; F284-W385 AromaticContact CD2-CG 3.3Å; F284-W385 HydrophobicContact CD2-CG 3.3Å; F284-W385 AromaticContact CD2-NE1 3.89Å; F284-W385 HydrophobicContact CE1-CB 4.35Å; F284-W385 HydrophobicContact CE2-CB 3.89Å; F284-W385 AromaticContact CE2-CD1 3.82Å; F284-W385 AromaticContact CE2-CD2 3.54Å; F284-W385 HydrophobicContact CE2-CD2 3.54Å; F284-W385 AromaticContact CE2-CE2 3.98Å; F284-W385 HydrophobicContact CE2-CE3 4.03Å; F284-W385 AromaticContact CE2-CG 3.44Å; F284-W385 HydrophobicContact CE2-CG 3.44Å; F284-W385 VanDerWaalsContact CE2-CG 3.44Å; F284-W385 HydrophobicContact CG-CB 3.77Å; F284-W385 AromaticContact CG-CG 3.95Å; F284-W385 HydrophobicContact CG-CG 3.95Å; F284-W385 HydrophobicContact CZ-CB 4.23Å; F284-W385 HydrophobicContact CZ-CD2 4.25Å; F284-W385 HydrophobicContact CZ-CE3 4.37Å; F284-W385 HydrophobicContact CZ-CG 4.19Å
285G86.5Confident86.8Confident10 Ų1014.5 Ų14.510%0.1037%0.072CC..THydrogen-bonded Turntrans64.921.2-178.900000114.6Q281 S282 A337 T338Q281-G285 PolarHBondContact O-N 3.2Å; Q281-G285 VanDerWaalsContact O-N 3.12Å; S282-G285 PolarHBondContact O-N 2.67Å; G285-A337 VanDerWaalsContact O-CA 3.31Å; G285-A337 WeakPolarHBondContact O-CA 3.48Å; G285-T338 CarbonylContact C-O 3.51Å; G285-T338 VanDerWaalsContact C-O 3.24Å; G285-T338 PolarHBondContact O-N 3.26Å
286C87.6Confident87.1Confident0 Ų014 Ų140%07%0.069CC..BIsolated β-bridgetrans-12340.4-170.570.80000112.8Q281 F284 Q288 M386Q281-C286 PolarHBondContact O-N 3.47Å; F284-C286 PolarHBondContact O-N 2.87Å; C286-Q288 PolarHBondContact O-N 3.33Å; C286-M386 HydrophobicContact CB-CB 4.04Å; C286-M386 HydrophobicContact CB-CG 4.19Å; C286-M386 HydrophobicContact CB-SD 4.03Å
287V88Confident87.3Confident2 Ų213.9 Ų13.91%0.0127%0.068CC..  trans-61.3111.5175.8176.40000109.8Q281 C289 I290 T328 T338Q281-V287 HydrophobicContact CB-CB 4.48Å; Q281-V287 HydrophobicContact CB-CG2 3.93Å; V287-C289 VanDerWaalsContact C-N 3.28Å; V287-C289 PolarHBondContact O-N 2.72Å; V287-I290 HydrophobicContact CG1-CG1 4.4Å; V287-T328 WeakPolarHBondContact O-CG2 3.33Å; V287-T338 WeakPolarHBondContact CA-OG1 3.2Å; V287-T338 WeakPolarHBondContact CG2-O 3.46Å; V287-T338 PolarHBondContact N-O 3.26Å; V287-T338 PolarHBondContact N-OG1 3.42Å; V287-T338 PolarHBondContact O-OG1 2.78Å
288Q81.9Confident87.3Confident14 Ų1414 Ų147%0.0657%0.067CC..SBendtrans-77.4-12.7-172-61.2-177.2-9.300113.9C286C286-Q288 PolarHBondContact O-N 3.33Å
289C84.6Confident87.2Confident14 Ų1412.1 Ų12.110%0.0956%0.06CC..  trans-156.699.6-175.5-176.70000109.9R278 V287 R325R278-C289 PolarHBondContact NE-O 3.46Å; V287-C289 VanDerWaalsContact C-N 3.28Å; V287-C289 PolarHBondContact O-N 2.72Å; C289-R325 HydrophobicContact CB-CG 4.15Å
290I85.1Confident87.1Confident2 Ų215.2 Ų15.21%0.018%0.082CC..  trans-73.3129.4163.9-66.5166.9000106.8V287 Y297 D324 T328 T338V287-I290 HydrophobicContact CG1-CG1 4.4Å; I290-Y297 WeakPolarHBondContact CB-OH 2.9Å; I290-Y297 HydrophobicContact CD1-CD1 4.43Å; I290-Y297 HydrophobicContact CD1-CE1 3.65Å; I290-Y297 HydrophobicContact CG2-CE2 4.43Å; I290-D324 WeakPolarHBondContact O-CB 3.4Å; I290-T328 WeakPolarHBondContact CB-OG1 3.05Å; I290-T328 HydrophobicContact CD1-CG2 4.23Å; I290-T328 HydrophobicContact CG1-CG2 4.08Å; I290-T328 PolarHBondContact N-OG1 2.95Å; I290-T338 HydrophobicContact CD1-CG2 4.25Å
291S82.5Confident86.8Confident24 Ų2415.3 Ų15.317%0.1688%0.082CC..  trans-82.4136-172.2-60.80000110.8F274 P293 L294F274-S291 VanDerWaalsContact CE1-OG 3.3Å; F274-S291 WeakPolarHBondContact CE1-OG 3.4Å; F274-S291 WeakPolarHBondContact CZ-OG 3.46Å; S291-P293 VanDerWaalsContact C-N 3.33Å; S291-L294 CarbonylContact O-C 3.45Å; S291-L294 PolarHBondContact O-N 3.24Å; S291-L294 VanDerWaalsContact O-N 3.12Å
292G72.9Confident86.5Confident2 Ų215.1 Ų15.12%0.0218%0.081CC..G310 helixtrans-50.7-38-17900000116.3C221 L294 D324C221-G292 VanDerWaalsContact CB-C 3.49Å; C221-G292 WeakPolarHBondContact CB-O 3.37Å; C221-G292 PolarHBondContact N-O 2.87Å; G292-L294 PolarHBondContact O-N 3.05Å; G292-D324 WeakPolarHBondContact CA-OD1 3.48Å; G292-D324 VanDerWaalsContact CA-OD2 3.28Å; G292-D324 WeakPolarHBondContact CA-OD2 3.29Å; G292-D324 PolarHBondContact N-OD2 3.47Å
293P81.4Confident86.1Confident12 Ų1217.1 Ų17.18%0.0789%0.091CC..G310 helixtrans-57.4-30.6178.2-31.137.5000114.7D222 T225 V252 S291D222-P293 HydrophobicContact CB-CG 4.37Å; D222-P293 WeakPolarHBondContact OD2-CD 3.49Å; D222-P293 WeakPolarHBondContact OD2-CG 3.48Å; T225-P293 HydrophobicContact CG2-CB 3.79Å; V252-P293 HydrophobicContact CG1-CB 4.15Å; V252-P293 HydrophobicContact CG1-CG 4.14Å; V252-P293 HydrophobicContact CG2-CB 4.11Å; V252-P293 HydrophobicContact CG2-CG 4.37Å; S291-P293 VanDerWaalsContact C-N 3.33Å
294L87Confident85.8Confident0 Ų018.5 Ų18.50%010%0.1CC..G310 helixtrans-155.580.7-174.1-174.357.6000110.7L227 M235 G249 G250 S291 G292 S344 C346L227-L294 HydrophobicContact CD2-CD1 4.01Å; M235-L294 HydrophobicContact CE-CD1 4.19Å; M235-L294 HydrophobicContact CE-CG 4.14Å; M235-L294 HydrophobicContact SD-CD1 3.53Å; M235-L294 VanDerWaalsContact SD-CD1 3.53Å; M235-L294 HydrophobicContact SD-CG 3.9Å; G249-L294 WeakPolarHBondContact CA-O 3.38Å; G250-L294 PolarHBondContact N-O 3.31Å; S291-L294 CarbonylContact O-C 3.45Å; S291-L294 PolarHBondContact O-N 3.24Å; S291-L294 VanDerWaalsContact O-N 3.12Å; G292-L294 PolarHBondContact O-N 3.05Å; L294-S344 WeakPolarHBondContact CD2-OG 3.43Å; L294-C346 HydrophobicContact CB-CB 4.25Å; L294-C346 HydrophobicContact CD2-CB 3.86Å
295G90.5Very high85.5Confident1 Ų117.2 Ų17.21%0.019%0.094CC..EExtended strand (participates in β ladder)trans-123.7145.717300000111.6Q218 Q219Q218-G295 CarbonylContact C-O 3.55Å; Q218-G295 WeakPolarHBondContact CA-O 3.25Å; Q219-G295 PolarHBondContact N-O 2.87Å; Q219-G295 PolarHBondContact O-N 3.15Å
296M92Very high85.2Confident0 Ų016.9 Ų16.90%09%0.091CC..EExtended strand (participates in β ladder)trans-134.5135.9172.8-173.8-174.9-69.900109.7L94 V217 Q218 M235 V236 L239 G247 V248L94-M296 HydrophobicContact CD1-CE 3.84Å; L94-M296 HydrophobicContact CD1-SD 4.26Å; L94-M296 HydrophobicContact CD2-CE 4.16Å; V217-M296 WeakPolarHBondContact O-CA 3.34Å; Q218-M296 HydrophobicContact CB-CB 4.48Å; Q218-M296 HydrophobicContact CB-CE 3.97Å; Q218-M296 HydrophobicContact CB-CG 4.34Å; Q218-M296 HydrophobicContact CG-CE 4.26Å; M235-M296 HydrophobicContact CB-CB 4.33Å; M235-M296 HydrophobicContact CB-CE 3.55Å; M235-M296 HydrophobicContact CB-SD 3.77Å; M235-M296 HydrophobicContact CE-CB 3.57Å; M235-M296 HydrophobicContact SD-CB 4.29Å; M235-M296 HydrophobicContact SD-CE 4.28Å; V236-M296 HydrophobicContact CG2-CE 3.88Å; V236-M296 HydrophobicContact CG2-SD 3.64Å; L239-M296 HydrophobicContact CD1-CB 4.41Å; L239-M296 HydrophobicContact CD1-CG 3.79Å; L239-M296 HydrophobicContact CD1-SD 3.68Å; G247-M296 CarbonylContact C-O 3.5Å; G247-M296 WeakPolarHBondContact CA-O 3.37Å; V248-M296 HydrophobicContact CG1-CB 3.91Å; V248-M296 PolarHBondContact N-O 2.89Å; V248-M296 PolarHBondContact O-N 3.39Å
297Y91.9Very high84.7Confident1 Ų120.3 Ų20.30%0.00411%0.107CC..EExtended strand (participates in β ladder)trans-131.7152.6-175-59.9-86.7000110.9V217 Q219 I290 N299 L302 L327 T328 V331V217-Y297 PolarHBondContact N-O 2.97Å; V217-Y297 PolarHBondContact O-N 2.96Å; Q219-Y297 VanDerWaalsContact OE1-CE2 3.32Å; I290-Y297 WeakPolarHBondContact CB-OH 2.9Å; I290-Y297 HydrophobicContact CD1-CD1 4.43Å; I290-Y297 HydrophobicContact CD1-CE1 3.65Å; I290-Y297 HydrophobicContact CG2-CE2 4.43Å; Y297-N299 PolarHBondContact O-N 3.49Å; Y297-L302 HydrophobicContact CG-CD2 4.16Å; Y297-L327 HydrophobicContact CD1-CG 4.44Å; Y297-L327 HydrophobicContact CD2-CD2 3.88Å; Y297-L327 HydrophobicContact CE1-CD2 4.16Å; Y297-L327 HydrophobicContact CE1-CG 3.91Å; Y297-L327 HydrophobicContact CE2-CD2 3.37Å; Y297-L327 HydrophobicContact CE2-CG 4.06Å; Y297-L327 HydrophobicContact CG-CD2 4.46Å; Y297-T328 PolarHBondContact OH-OG1 3.42Å; Y297-V331 HydrophobicContact CD1-CG2 3.93Å; Y297-V331 HydrophobicContact CE1-CG2 4.18Å
298R90.8Very high84.1Confident40 Ų4024.8 Ų24.815%0.15113%0.13CC..EExtended strand (participates in β ladder)trans-70125.2169.5-69.7-173.5-177.2-81.31.7110Y216 L239 D242 V245 G246 S300 L301 L302Y216-R298 HydrophobicContact CD1-CG 4.29Å; Y216-R298 HydrophobicContact CE1-CG 3.89Å; Y216-R298 PolarHBondContact OH-NH1 3.24Å; L239-R298 PolarHBondContact O-NH2 3.03Å; D242-R298 PolarHBondContact O-NH2 3.43Å; V245-R298 PolarHBondContact O-NE 3.4Å; G246-R298 PolarHBondContact O-N 3.15Å; G246-R298 VanDerWaalsContact O-N 3.14Å; R298-S300 VanDerWaalsContact C-N 3.27Å; R298-S300 PolarHBondContact O-N 3.1Å; R298-L301 HydrophobicContact CB-CB 4.41Å; R298-L301 HydrophobicContact CB-CD1 4.01Å; R298-L301 HydrophobicContact CB-CG 3.94Å; R298-L301 PolarHBondContact O-N 3.49Å; R298-L301 VanDerWaalsContact O-N 3.16Å; R298-L302 PolarHBondContact O-N 2.99Å
299N88.8Confident84Confident2 Ų224.1 Ų24.11%0.01113%0.127CC..Hα-helixtrans-64.1-35.1-178-166.927000112.2G211 V214 D215 V217 Y297 L301 L302 H303G211-N299 PolarHBondContact O-ND2 3.45Å; G211-N299 PolarHBondContact O-OD1 2.68Å; V214-N299 HydrophobicContact CG2-CB 4.37Å; V214-N299 WeakPolarHBondContact O-CB 3.34Å; V214-N299 PolarHBondContact O-ND2 2.83Å; D215-N299 WeakPolarHBondContact O-CB 3.42Å; D215-N299 PolarHBondContact O-N 3.5Å; V217-N299 HydrophobicContact CG2-CB 3.94Å; Y297-N299 PolarHBondContact O-N 3.49Å; N299-L301 PolarHBondContact O-N 2.9Å; N299-L302 PolarHBondContact O-N 3.08Å; N299-H303 PolarHBondContact O-CD2 3.3Å; N299-H303 VanDerWaalsContact O-CD2 3.28Å; N299-H303 PolarHBondContact O-N 2.99Å; N299-H303 PolarHBondContact OD1-CD2 2.94Å; N299-H303 PolarHBondContact OD1-NE2 3.34Å; N299-H303 VanDerWaalsContact OD1-NE2 3.16Å
300S86.3Confident83.4Confident65 Ų6525.4 Ų25.446%0.45513%0.13SC..Hα-helixtrans-55.2-40.7175.655.70000112.4R298R298-S300 VanDerWaalsContact C-N 3.27Å; R298-S300 PolarHBondContact O-N 3.1Å
301L85.2Confident82.7Confident2 Ų229.1 Ų29.11%0.0115%0.15CC..Hα-helixtrans-74.9-41.4179.4-57.2-178.3000111.8G246 R298 N299 H303 E304 F305 L334 Y336G246-L301 VanDerWaalsContact CA-CD1 3.43Å; R298-L301 HydrophobicContact CB-CB 4.41Å; R298-L301 HydrophobicContact CB-CD1 4.01Å; R298-L301 HydrophobicContact CB-CG 3.94Å; R298-L301 PolarHBondContact O-N 3.49Å; R298-L301 VanDerWaalsContact O-N 3.16Å; N299-L301 PolarHBondContact O-N 2.9Å; L301-H303 VanDerWaalsContact C-N 3.27Å; L301-H303 PolarHBondContact O-N 3.28Å; L301-E304 PolarHBondContact O-N 2.97Å; L301-E304 VanDerWaalsContact O-N 3.08Å; L301-F305 HydrophobicContact CB-CE1 4.21Å; L301-F305 WeakPolarHBondContact O-CD1 3.48Å; L301-F305 WeakPolarHBondContact O-CE1 3.2Å; L301-L334 HydrophobicContact CD2-CD1 4.47Å; L301-Y336 HydrophobicContact CD1-CD1 3.87Å; L301-Y336 HydrophobicContact CD1-CD2 3.87Å; L301-Y336 HydrophobicContact CD1-CE1 4.09Å; L301-Y336 HydrophobicContact CD1-CE2 4.1Å; L301-Y336 HydrophobicContact CD1-CG 3.77Å; L301-Y336 HydrophobicContact CD2-CD2 3.93Å; L301-Y336 HydrophobicContact CD2-CE1 4.06Å; L301-Y336 HydrophobicContact CD2-CE2 3.33Å; L301-Y336 VanDerWaalsContact CD2-CZ 3.41Å; L301-Y336 HydrophobicContact CG-CE2 4.37Å
302L84.3Confident82Confident1 Ų128.6 Ų28.61%0.00515%0.145CC..Hα-helixtrans-53.8-45.9178.8-69.4-179.5000111.4F207 V217 Y297 R298 N299 E304 F305 L306 L327F207-L302 HydrophobicContact CD1-CD1 4.42Å; F207-L302 HydrophobicContact CE1-CD1 4.46Å; V217-L302 HydrophobicContact CB-CD1 3.65Å; V217-L302 HydrophobicContact CG1-CD1 4.13Å; V217-L302 HydrophobicContact CG2-CD1 3.81Å; Y297-L302 HydrophobicContact CG-CD2 4.16Å; R298-L302 PolarHBondContact O-N 2.99Å; N299-L302 PolarHBondContact O-N 3.08Å; L302-E304 VanDerWaalsContact C-N 3.28Å; L302-E304 PolarHBondContact O-N 3.11Å; L302-F305 HydrophobicContact CD2-CE2 4.14Å; L302-F305 HydrophobicContact CD2-CZ 3.75Å; L302-F305 PolarHBondContact O-N 3.23Å; L302-L306 WeakPolarHBondContact O-CA 3.4Å; L302-L306 VanDerWaalsContact O-CB 3.29Å; L302-L306 WeakPolarHBondContact O-CB 3.23Å; L302-L306 PolarHBondContact O-N 3.21Å; L302-L327 HydrophobicContact CD2-CD1 3.65Å; L302-L327 HydrophobicContact CD2-CD2 4.45Å; L302-L327 HydrophobicContact CD2-CG 4.45Å
303H82.1Confident81.3Confident43 Ų4332.4 Ų32.420%0.19917%0.168CC..Hα-helixtrans-67.8-22.2-179.3-79.4-69.7000114.6F207 G211 N299 L301F207-H303 PolarHBondContact O-CE1 2.92Å; F207-H303 VanDerWaalsContact O-CE1 3.26Å; G211-H303 VanDerWaalsContact CA-CE1 3.49Å; G211-H303 WeakPolarHBondContact CA-CE1 3.35Å; G211-H303 PolarHBondContact O-NE2 3.37Å; N299-H303 PolarHBondContact O-CD2 3.3Å; N299-H303 VanDerWaalsContact O-CD2 3.28Å; N299-H303 PolarHBondContact O-N 2.99Å; N299-H303 PolarHBondContact OD1-CD2 2.94Å; N299-H303 PolarHBondContact OD1-NE2 3.34Å; N299-H303 VanDerWaalsContact OD1-NE2 3.16Å; L301-H303 VanDerWaalsContact C-N 3.27Å; L301-H303 PolarHBondContact O-N 3.28Å
304E83.5Confident80Confident118 Ų11834 Ų3455%0.55117%0.174SC*.Hα-helixtrans-73-33.6178.1-72.8-178.2-173.300112.4L301 L302L301-E304 PolarHBondContact O-N 2.97Å; L301-E304 VanDerWaalsContact O-N 3.08Å; L302-E304 VanDerWaalsContact C-N 3.28Å; L302-E304 PolarHBondContact O-N 3.11Å
305F81.8Confident78.3Confident8 Ų840.6 Ų40.64%0.03521%0.206CC..Hα-helixtrans-117.24.2-175.864.4-108.1000114.1L301 L302 E307 D308 W309 L327 R330 V331 L334L301-F305 HydrophobicContact CB-CE1 4.21Å; L301-F305 WeakPolarHBondContact O-CD1 3.48Å; L301-F305 WeakPolarHBondContact O-CE1 3.2Å; L302-F305 HydrophobicContact CD2-CE2 4.14Å; L302-F305 HydrophobicContact CD2-CZ 3.75Å; L302-F305 PolarHBondContact O-N 3.23Å; F305-E307 VanDerWaalsContact C-N 3.33Å; F305-E307 PolarHBondContact O-N 2.63Å; F305-D308 PolarHBondContact O-N 3.13Å; F305-W309 HydrophobicContact CD2-CB 4Å; F305-W309 VanDerWaalsContact O-CB 3.31Å; F305-W309 WeakPolarHBondContact O-CB 3.43Å; F305-W309 PolarHBondContact O-N 3.17Å; F305-L327 HydrophobicContact CE2-CD1 3.29Å; F305-L327 HydrophobicContact CZ-CD1 3.59Å; F305-R330 HydrophobicContact CB-CB 4.43Å; F305-R330 HydrophobicContact CD1-CB 4.12Å; F305-R330 HydrophobicContact CD2-CB 3.67Å; F305-R330 HydrophobicContact CD2-CG 4.09Å; F305-R330 HydrophobicContact CE1-CB 4.24Å; F305-R330 HydrophobicContact CE2-CB 3.88Å; F305-R330 HydrophobicContact CG-CB 3.81Å; F305-R330 HydrophobicContact CG-CG 4.43Å; F305-R330 HydrophobicContact CZ-CB 4.12Å; F305-V331 HydrophobicContact CE1-CG2 3.9Å; F305-V331 HydrophobicContact CZ-CG2 3.87Å; F305-L334 HydrophobicContact CD1-CD1 3.75Å; F305-L334 HydrophobicContact CE1-CD1 4.27Å
306L80.4Confident76.3Confident4 Ų444.3 Ų44.32%0.02125%0.245CC..Hα-helixtrans-54.2-46.2-173.3-172.364.5000112.8Y204 F207 K208 L302 W309 Y310Y204-L306 HydrophobicContact CD2-CD1 4.03Å; Y204-L306 HydrophobicContact CD2-CD2 4.19Å; Y204-L306 HydrophobicContact CD2-CG 3.8Å; Y204-L306 HydrophobicContact CE2-CD1 4.48Å; Y204-L306 HydrophobicContact CE2-CD2 3.99Å; Y204-L306 HydrophobicContact CE2-CG 3.74Å; F207-L306 HydrophobicContact CB-CD1 3.78Å; F207-L306 HydrophobicContact CB-CD2 4.15Å; F207-L306 HydrophobicContact CD2-CD1 3.69Å; F207-L306 HydrophobicContact CG-CD1 4.24Å; K208-L306 HydrophobicContact CB-CD2 4.28Å; K208-L306 HydrophobicContact CD-CD2 4.04Å; L302-L306 WeakPolarHBondContact O-CA 3.4Å; L302-L306 VanDerWaalsContact O-CB 3.29Å; L302-L306 WeakPolarHBondContact O-CB 3.23Å; L302-L306 PolarHBondContact O-N 3.21Å; L306-W309 HydrophobicContact CD1-CE3 4.06Å; L306-W309 HydrophobicContact CD1-CZ3 4.28Å; L306-W309 PolarHBondContact O-N 3.5Å; L306-Y310 PolarHBondContact O-N 2.99Å
307E78.7Confident74.4Confident72 Ų7246 Ų4634%0.33626%0.257SS..Hα-helixtrans-68.1-41.2-179.4-55.2-60.5166.800111.9Y204 K208 F305 W309 Y310 N311Y204-E307 PolarHBondContact OH-OE1 2.67Å; Y204-E307 PolarHBondContact OH-OE2 2.97Å; K208-E307 IonicContact NZ-OE1 2.68Å; K208-E307 PolarHBondContact NZ-OE1 3.28Å; F305-E307 VanDerWaalsContact C-N 3.33Å; F305-E307 PolarHBondContact O-N 2.63Å; E307-W309 VanDerWaalsContact C-N 3.3Å; E307-W309 PolarHBondContact O-N 2.9Å; E307-Y310 PolarHBondContact O-N 3.07Å; E307-N311 WeakPolarHBondContact O-CB 3.49Å; E307-N311 PolarHBondContact O-N 3.07Å; E307-N311 PolarHBondContact O-ND2 3.45Å
308D75.1Confident72.8Confident95 Ų9551.9 Ų51.951%0.50828%0.284SS..Hα-helixtrans-68.2-31.2177.1-75.1-15.3000112.5F305 R330F305-D308 PolarHBondContact O-N 3.13Å; D308-R330 PolarHBondContact O-NH2 3.14Å
309W78.4Confident71.2Confident0 Ų050.8 Ų50.80%028%0.282CS..Hα-helixtrans-72.8-40.6175.6169.286.4000111.1R200 M203 F207 F305 L306 E307 D323 H326 R330R200-W309 HydrophobicContact CB-CH2 4.44Å; R200-W309 HydrophobicContact CG-CE3 4.45Å; R200-W309 HydrophobicContact CG-CH2 3.54Å; R200-W309 HydrophobicContact CG-CZ2 3.9Å; R200-W309 HydrophobicContact CG-CZ3 3.85Å; R200-W309 PolarHBondContact NH1-O 2.92Å; M203-W309 HydrophobicContact CB-CH2 3.79Å; M203-W309 HydrophobicContact CE-CH2 3.6Å; M203-W309 HydrophobicContact CE-CZ2 3.43Å; M203-W309 VanDerWaalsContact CE-CZ2 3.43Å; M203-W309 HydrophobicContact SD-CH2 4.17Å; M203-W309 HydrophobicContact SD-CZ2 4.17Å; F207-W309 HydrophobicContact CE2-CH2 4.48Å; F305-W309 HydrophobicContact CD2-CB 4Å; F305-W309 VanDerWaalsContact O-CB 3.31Å; F305-W309 WeakPolarHBondContact O-CB 3.43Å; F305-W309 PolarHBondContact O-N 3.17Å; L306-W309 HydrophobicContact CD1-CE3 4.06Å; L306-W309 HydrophobicContact CD1-CZ3 4.28Å; L306-W309 PolarHBondContact O-N 3.5Å; E307-W309 VanDerWaalsContact C-N 3.3Å; E307-W309 PolarHBondContact O-N 2.9Å; W309-D323 HydrophobicContact CZ2-CB 4.09Å; W309-D323 PolarHBondContact NE1-O 3.06Å; W309-H326 AromaticContact CD1-CD2 3.35Å; W309-R330 HydrophobicContact CB-CG 4.49Å
310Y72.9Confident69.6Low41 Ų4152.9 Ų52.916%0.16130%0.297CS..Hα-helixtrans-66.9-52.2177.3-174.6-91.3000111.8H162 R200 E201 Y204 L306 E307 Q312H162-Y310 AromaticContact CD2-CD1 3.93Å; H162-Y310 AromaticContact CD2-CE1 3.35Å; H162-Y310 WeakPolarHBondContact CD2-CE1 3.41Å; H162-Y310 AromaticContact CD2-CZ 3.83Å; H162-Y310 AromaticContact CE1-CD1 3.55Å; H162-Y310 AromaticContact CE1-CD2 3.8Å; H162-Y310 AromaticContact CE1-CE1 3.31Å; H162-Y310 WeakPolarHBondContact CE1-CE1 2.96Å; H162-Y310 AromaticContact CE1-CE2 3.54Å; H162-Y310 AromaticContact CE1-CG 3.8Å; H162-Y310 AromaticContact CE1-CZ 3.28Å; H162-Y310 AromaticContact CG-CE1 3.58Å; H162-Y310 AromaticContact CG-CZ 3.55Å; H162-Y310 VanDerWaalsContact CG-OH 3.32Å; H162-Y310 AromaticContact ND1-CE1 3.57Å; H162-Y310 AromaticContact ND1-CE2 3.69Å; H162-Y310 AromaticContact ND1-CZ 3.21Å; H162-Y310 PolarHBondContact ND1-OH 2.95Å; H162-Y310 AromaticContact NE2-CD1 3.3Å; H162-Y310 VanDerWaalsContact NE2-CD1 3.3Å; H162-Y310 WeakPolarHBondContact NE2-CD1 3.37Å; H162-Y310 AromaticContact NE2-CE1 3.18Å; H162-Y310 WeakPolarHBondContact NE2-CE1 3.4Å; H162-Y310 AromaticContact NE2-CG 3.93Å; H162-Y310 AromaticContact NE2-CZ 3.69Å; R200-Y310 HydrophobicContact CG-CD2 3.98Å; R200-Y310 HydrophobicContact CG-CE2 4.33Å; E201-Y310 WeakPolarHBondContact OE2-CE2 3.01Å; E201-Y310 PolarHBondContact OE2-OH 2.64Å; Y204-Y310 AromaticContact CD2-CD2 3.85Å; Y204-Y310 HydrophobicContact CD2-CD2 3.85Å; Y204-Y310 AromaticContact CD2-CG 3.96Å; Y204-Y310 HydrophobicContact CD2-CG 3.96Å; Y204-Y310 HydrophobicContact CE2-CG 4.31Å; Y204-Y310 AromaticContact CG-CD2 3.96Å; Y204-Y310 HydrophobicContact CG-CD2 3.96Å; Y204-Y310 HydrophobicContact CG-CG 4.47Å; L306-Y310 PolarHBondContact O-N 2.99Å; E307-Y310 PolarHBondContact O-N 3.07Å; Y310-Q312 PolarHBondContact O-N 2.74Å
311N70.3Confident68.1Low80 Ų8050.8 Ų50.843%0.42828%0.28SS..THydrogen-bonded Turntrans-7621.2-176.6-70.4-45.9000114.4E307 T313E307-N311 WeakPolarHBondContact O-CB 3.49Å; E307-N311 PolarHBondContact O-N 3.07Å; E307-N311 PolarHBondContact O-ND2 3.45Å; N311-T313 PolarHBondContact O-N 2.94Å
312Q68.2Low66.8Low13 Ų1351.2 Ų51.26%0.06129%0.285CS..  trans-59.8117.6178.4-171-169.214.600110.5R200 Y310 C319 H326 E371R200-Q312 VanDerWaalsContact NH1-CB 3.29Å; R200-Q312 VanDerWaalsContact NH2-OE1 3.08Å; Y310-Q312 PolarHBondContact O-N 2.74Å; Q312-C319 HydrophobicContact CG-CB 4.4Å; Q312-C319 PolarHBondContact O-N 2.84Å; Q312-C319 VanDerWaalsContact O-N 3.14Å; Q312-H326 PolarHBondContact NE2-CE1 3.42Å; Q312-H326 PolarHBondContact NE2-ND1 2.99Å; Q312-H326 PolarHBondContact OE1-CD2 3.29Å; Q312-E371 PolarHBondContact NE2-OE1 2.89Å
313T58.9Low66.3Low83 Ų8351.6 Ų51.651%0.50929%0.287SS..EExtended strand (participates in β ladder)trans-109.2140.7169.455.20000109.4N311 S317N311-T313 PolarHBondContact O-N 2.94Å; T313-S317 WeakPolarHBondContact CA-O 3.42Å
314F53.2Low66.1Low44 Ų4450.8 Ų50.819%0.19328%0.284CS..EExtended strand (participates in β ladder)trans-126.8122.3170-173-99.7000108G316 S317 C319 R370 L373 I468F314-G316 PolarHBondContact O-N 2.85Å; F314-S317 PolarHBondContact N-O 3.3Å; F314-S317 PolarHBondContact O-N 2.87Å; F314-S317 PolarHBondContact O-OG 2.74Å; F314-C319 WeakPolarHBondContact CB-SG 3.48Å; F314-R370 HydrophobicContact CD1-CG 4.27Å; F314-R370 HydrophobicContact CD2-CG 3.64Å; F314-R370 HydrophobicContact CE1-CG 4.4Å; F314-R370 HydrophobicContact CE2-CG 3.78Å; F314-R370 HydrophobicContact CG-CG 3.9Å; F314-R370 HydrophobicContact CZ-CG 4.16Å; F314-L373 HydrophobicContact CZ-CD1 4.28Å; F314-I468 HydrophobicContact CE1-CD1 4.24Å; F314-I468 HydrophobicContact CE1-CG1 4.24Å; F314-I468 HydrophobicContact CE1-CG2 4.25Å; F314-I468 HydrophobicContact CZ-CD1 4.32Å
315M50.4Low66Low139 Ų13947 Ų4769%0.68527%0.265SS*.THydrogen-bonded Turntrans48.543-176.1-61.1-175.67200113.2S317 N469M315-S317 VanDerWaalsContact C-N 3.31Å; M315-S317 PolarHBondContact O-N 3.37Å; M315-N469 PolarHBondContact SD-ND2 2.79Å; M315-N469 PolarHBondContact SD-OD1 3.11Å
316G48.4Very low66Low79 Ų7946.6 Ų46.681%0.81426%0.263SS*.THydrogen-bonded Turntrans79.70.9177.800000115.9F314F314-G316 PolarHBondContact O-N 2.85Å
317S53.2Low66.1Low37 Ų3746.5 Ų46.526%0.25926%0.262SS..EExtended strand (participates in β ladder)trans-110.1137.3177.267.20000112.2T313 F314 M315 C319T313-S317 WeakPolarHBondContact CA-O 3.42Å; F314-S317 PolarHBondContact N-O 3.3Å; F314-S317 PolarHBondContact O-N 2.87Å; F314-S317 PolarHBondContact O-OG 2.74Å; M315-S317 VanDerWaalsContact C-N 3.31Å; M315-S317 PolarHBondContact O-N 3.37Å; S317-C319 PolarHBondContact O-N 2.91Å
318H57.2Low66.4Low124 Ų12443 Ų4357%0.57425%0.246SC*.EExtended strand (participates in β ladder)trans-63.8129.1172.5-84.4-82000110.5
319C58Low66.9Low16 Ų1638.6 Ų38.611%0.10822%0.223CC..  trans-92.3123.4-173.1-76.90000112.4R200 Q312 F314 S317R200-C319 PolarHBondContact NH1-O 2.63Å; R200-C319 PolarHBondContact NH2-O 3.39Å; Q312-C319 HydrophobicContact CG-CB 4.4Å; Q312-C319 PolarHBondContact O-N 2.84Å; Q312-C319 VanDerWaalsContact O-N 3.14Å; F314-C319 WeakPolarHBondContact CB-SG 3.48Å; S317-C319 PolarHBondContact O-N 2.91Å
320S54.8Low67.3Low47 Ų4740.2 Ų40.233%0.32923%0.229SC..  trans-105.7-1.7179.356.90000114.7S471S320-S471 PolarHBondContact OG-O 3.49Å
321F55.2Low67.9Low20 Ų2038.3 Ų38.39%0.08822%0.221CC..SBendtrans-111.3153.7-177.7-55.8-53.6000112.5R363 R370 S471 G472F321-R363 HydrophobicContact CD1-CG 4.07Å; F321-R363 HydrophobicContact CE1-CG 4.46Å; F321-R363 HydrophobicContact CG-CG 4.48Å; F321-R370 VanDerWaalsContact O-CZ 3.26Å; F321-R370 PolarHBondContact O-NH1 3.12Å; F321-R370 PolarHBondContact O-NH2 2.87Å; F321-S471 VanDerWaalsContact CZ-O 3.29Å; F321-S471 WeakPolarHBondContact CZ-O 3.13Å; F321-G472 WeakPolarHBondContact CZ-O 3.37Å
322G57Low68.6Low12 Ų1234.5 Ų34.512%0.12420%0.201CC..  trans79.630.1162.100000115.2D324 R325 H326 S367G322-D324 VanDerWaalsContact C-N 3.32Å; G322-D324 PolarHBondContact O-N 3.16Å; G322-R325 PolarHBondContact O-N 2.88Å; G322-H326 PolarHBondContact O-N 3.05Å; G322-S367 WeakPolarHBondContact CA-OG 3.44Å
323D73.9Confident69.3Low8 Ų834.5 Ų34.54%0.04320%0.202CC..Hα-helixtrans-56.6-43.5-171.3-53.6-48.8000112.8R200 M203 W309 H326 L327R200-D323 IonicContact CZ-OD1 3.26Å; R200-D323 IonicContact NE-OD1 3.38Å; R200-D323 PolarHBondContact NE-OD1 2.81Å; R200-D323 IonicContact NH2-OD1 2.67Å; R200-D323 PolarHBondContact NH2-OD1 3.39Å; M203-D323 HydrophobicContact SD-CB 4.1Å; W309-D323 HydrophobicContact CZ2-CB 4.09Å; W309-D323 PolarHBondContact NE1-O 3.06Å; D323-H326 PolarHBondContact O-N 3.17Å; D323-L327 VanDerWaalsContact O-CB 3.26Å; D323-L327 WeakPolarHBondContact O-CB 3.48Å; D323-L327 PolarHBondContact O-N 2.46Å
324D78.8Confident70.5Confident27 Ų2733.7 Ų33.714%0.14420%0.195CC..Hα-helixtrans-67.7-39.3-178.5-44.6-47.5000112.3Q219 C221 I290 G292 G322 L327 T328Q219-D324 PolarHBondContact NE2-OD1 2.57Å; C221-D324 PolarHBondContact SG-OD1 3.25Å; C221-D324 VanDerWaalsContact SG-OD1 3.4Å; I290-D324 WeakPolarHBondContact O-CB 3.4Å; G292-D324 WeakPolarHBondContact CA-OD1 3.48Å; G292-D324 VanDerWaalsContact CA-OD2 3.28Å; G292-D324 WeakPolarHBondContact CA-OD2 3.29Å; G292-D324 PolarHBondContact N-OD2 3.47Å; G322-D324 VanDerWaalsContact C-N 3.32Å; G322-D324 PolarHBondContact O-N 3.16Å; D324-L327 PolarHBondContact O-N 2.99Å; D324-T328 PolarHBondContact O-N 2.86Å; D324-T328 PolarHBondContact O-OG1 3.45Å
325R81.4Confident71.9Confident38 Ų3833.4 Ų33.414%0.14320%0.204CC..Hα-helixtrans-71.7-39.3178.5-170.1177-70.3132.6-7110.9C289 G322 L327 T328 N329 W364 S367 E371C289-R325 HydrophobicContact CB-CG 4.15Å; G322-R325 PolarHBondContact O-N 2.88Å; R325-L327 VanDerWaalsContact C-N 3.35Å; R325-T328 PolarHBondContact O-N 3.39Å; R325-N329 WeakPolarHBondContact O-CB 3.47Å; R325-N329 VanDerWaalsContact O-CG 3.31Å; R325-N329 PolarHBondContact O-N 3.04Å; R325-W364 PolarHBondContact NH1-O 3.36Å; R325-S367 VanDerWaalsContact NH1-C 3.3Å; R325-S367 PolarHBondContact NH1-OG 2.92Å; R325-E371 HydrophobicContact CB-CB 4.48Å; R325-E371 HydrophobicContact CB-CG 4.01Å; R325-E371 HydrophobicContact CG-CB 3.67Å; R325-E371 HydrophobicContact CG-CG 3.75Å
326H81.6Confident73.7Confident0 Ų030 Ų300%018%0.184CC..Hα-helixtrans-65.2-41.9174.4-166.152.6000111.3W309 Q312 G322 D323 T328 N329 R330 E371W309-H326 AromaticContact CD1-CD2 3.35Å; Q312-H326 PolarHBondContact NE2-CE1 3.42Å; Q312-H326 PolarHBondContact NE2-ND1 2.99Å; Q312-H326 PolarHBondContact OE1-CD2 3.29Å; G322-H326 PolarHBondContact O-N 3.05Å; D323-H326 PolarHBondContact O-N 3.17Å; H326-T328 VanDerWaalsContact C-N 3.34Å; H326-T328 PolarHBondContact O-N 3.19Å; H326-N329 WeakPolarHBondContact O-CB 3.15Å; H326-N329 PolarHBondContact O-N 3.31Å; H326-R330 PolarHBondContact CE1-NE 2.93Å; H326-R330 VanDerWaalsContact CE1-NE 3.3Å; H326-R330 PolarHBondContact NE2-NE 3.46Å; H326-R330 WeakPolarHBondContact O-CG 3.13Å; H326-R330 PolarHBondContact O-N 2.92Å; H326-E371 WeakPolarHBondContact CA-OE2 3.11Å; H326-E371 IonicContact CG-OE1 3.8Å; H326-E371 IonicContact CG-OE2 2.66Å; H326-E371 IonicContact ND1-OE1 2.68Å; H326-E371 IonicContact ND1-OE2 2.87Å; H326-E371 PolarHBondContact ND1-OE2 3.25Å
327L82.9Confident75.7Confident1 Ų127.1 Ų27.11%0.00515%0.153CC..Hα-helixtrans-58-47.6175.8-175.857.6000111.6M203 F207 Y297 L302 F305 D323 D324 R325 N329 R330 V331M203-L327 HydrophobicContact CE-CD2 4.3Å; F207-L327 HydrophobicContact CE2-CD2 4.45Å; Y297-L327 HydrophobicContact CD1-CG 4.44Å; Y297-L327 HydrophobicContact CD2-CD2 3.88Å; Y297-L327 HydrophobicContact CE1-CD2 4.16Å; Y297-L327 HydrophobicContact CE1-CG 3.91Å; Y297-L327 HydrophobicContact CE2-CD2 3.37Å; Y297-L327 HydrophobicContact CE2-CG 4.06Å; Y297-L327 HydrophobicContact CG-CD2 4.46Å; L302-L327 HydrophobicContact CD2-CD1 3.65Å; L302-L327 HydrophobicContact CD2-CD2 4.45Å; L302-L327 HydrophobicContact CD2-CG 4.45Å; F305-L327 HydrophobicContact CE2-CD1 3.29Å; F305-L327 HydrophobicContact CZ-CD1 3.59Å; D323-L327 VanDerWaalsContact O-CB 3.26Å; D323-L327 WeakPolarHBondContact O-CB 3.48Å; D323-L327 PolarHBondContact O-N 2.46Å; D324-L327 PolarHBondContact O-N 2.99Å; R325-L327 VanDerWaalsContact C-N 3.35Å; L327-N329 PolarHBondContact O-N 2.96Å; L327-R330 PolarHBondContact O-N 2.85Å; L327-V331 PolarHBondContact O-N 2.94Å
328T85.7Confident77.5Confident0 Ų025.4 Ų25.40%014%0.14CC..Hα-helixtrans-60.6-45.3175.4-51.10000111.6V287 I290 Y297 D324 R325 H326 R330 V331 L332 T338V287-T328 WeakPolarHBondContact O-CG2 3.33Å; I290-T328 WeakPolarHBondContact CB-OG1 3.05Å; I290-T328 HydrophobicContact CD1-CG2 4.23Å; I290-T328 HydrophobicContact CG1-CG2 4.08Å; I290-T328 PolarHBondContact N-OG1 2.95Å; Y297-T328 PolarHBondContact OH-OG1 3.42Å; D324-T328 PolarHBondContact O-N 2.86Å; D324-T328 PolarHBondContact O-OG1 3.45Å; R325-T328 PolarHBondContact O-N 3.39Å; H326-T328 VanDerWaalsContact C-N 3.34Å; H326-T328 PolarHBondContact O-N 3.19Å; T328-R330 VanDerWaalsContact C-N 3.28Å; T328-R330 PolarHBondContact O-N 3.37Å; T328-V331 PolarHBondContact O-N 2.84Å; T328-L332 HydrophobicContact CG2-CD1 4.32Å; T328-L332 WeakPolarHBondContact O-CG 3.31Å; T328-L332 PolarHBondContact O-N 3.19Å; T328-T338 HydrophobicContact CG2-CG2 4Å
329N85.4Confident79.2Confident1 Ų121.5 Ų21.51%0.00512%0.122CC..Hα-helixtrans-62-34.3177.8-81.4-13.1000112.7R325 H326 L327 L332 S333 E371 Y374R325-N329 WeakPolarHBondContact O-CB 3.47Å; R325-N329 VanDerWaalsContact O-CG 3.31Å; R325-N329 PolarHBondContact O-N 3.04Å; H326-N329 WeakPolarHBondContact O-CB 3.15Å; H326-N329 PolarHBondContact O-N 3.31Å; L327-N329 PolarHBondContact O-N 2.96Å; N329-L332 PolarHBondContact O-N 3.2Å; N329-S333 WeakPolarHBondContact O-CB 3.47Å; N329-S333 PolarHBondContact O-N 2.97Å; N329-E371 WeakPolarHBondContact ND2-CB 3.49Å; N329-E371 PolarHBondContact ND2-O 3.44Å; N329-E371 PolarHBondContact ND2-OE2 3.25Å; N329-Y374 HydrophobicContact CB-CD1 4.21Å
330R85.3Confident80.8Confident35 Ų3521 Ų2113%0.13212%0.118CC..Hα-helixtrans-67.2-42.8175.6-70.9-64-174.3160.46111.4F305 D308 W309 H326 L327 T328 L332 S333 L334 Y374F305-R330 HydrophobicContact CB-CB 4.43Å; F305-R330 HydrophobicContact CD1-CB 4.12Å; F305-R330 HydrophobicContact CD2-CB 3.67Å; F305-R330 HydrophobicContact CD2-CG 4.09Å; F305-R330 HydrophobicContact CE1-CB 4.24Å; F305-R330 HydrophobicContact CE2-CB 3.88Å; F305-R330 HydrophobicContact CG-CB 3.81Å; F305-R330 HydrophobicContact CG-CG 4.43Å; F305-R330 HydrophobicContact CZ-CB 4.12Å; D308-R330 PolarHBondContact O-NH2 3.14Å; W309-R330 HydrophobicContact CB-CG 4.49Å; H326-R330 PolarHBondContact CE1-NE 2.93Å; H326-R330 VanDerWaalsContact CE1-NE 3.3Å; H326-R330 PolarHBondContact NE2-NE 3.46Å; H326-R330 WeakPolarHBondContact O-CG 3.13Å; H326-R330 PolarHBondContact O-N 2.92Å; L327-R330 PolarHBondContact O-N 2.85Å; T328-R330 VanDerWaalsContact C-N 3.28Å; T328-R330 PolarHBondContact O-N 3.37Å; R330-L332 VanDerWaalsContact C-N 3.34Å; R330-L332 PolarHBondContact O-N 2.91Å; R330-S333 WeakPolarHBondContact CA-OG 3.41Å; R330-S333 WeakPolarHBondContact O-CB 3.49Å; R330-S333 PolarHBondContact O-N 3.23Å; R330-S333 VanDerWaalsContact O-N 3.11Å; R330-S333 PolarHBondContact O-OG 2.83Å; R330-L334 PolarHBondContact O-N 2.93Å; R330-Y374 PolarHBondContact NE-OH 3.34Å; R330-Y374 PolarHBondContact NH1-OH 2.93Å
331V86.1Confident82.5Confident1 Ų118.9 Ų18.91%0.00610%0.102CC..Hα-helixtrans-58.9-46.7172.8177.40000110.9Y297 F305 L327 T328 S333 L334 Y336 T338Y297-V331 HydrophobicContact CD1-CG2 3.93Å; Y297-V331 HydrophobicContact CE1-CG2 4.18Å; F305-V331 HydrophobicContact CE1-CG2 3.9Å; F305-V331 HydrophobicContact CZ-CG2 3.87Å; L327-V331 PolarHBondContact O-N 2.94Å; T328-V331 PolarHBondContact O-N 2.84Å; V331-S333 VanDerWaalsContact C-N 3.32Å; V331-S333 PolarHBondContact O-N 3.48Å; V331-L334 PolarHBondContact O-N 3.47Å; V331-Y336 PolarHBondContact O-N 3.43Å; V331-T338 HydrophobicContact CB-CG2 4.28Å; V331-T338 HydrophobicContact CG1-CG2 3.85Å
332L85.4Confident84Confident0 Ų018.7 Ų18.70%011%0.105CC..Hα-helixtrans-63-36.5175.1-70.4170.6000112T328 N329 R330 L334 G335 T338 H382 M386T328-L332 HydrophobicContact CG2-CD1 4.32Å; T328-L332 WeakPolarHBondContact O-CG 3.31Å; T328-L332 PolarHBondContact O-N 3.19Å; N329-L332 PolarHBondContact O-N 3.2Å; R330-L332 VanDerWaalsContact C-N 3.34Å; R330-L332 PolarHBondContact O-N 2.91Å; L332-L334 PolarHBondContact O-N 2.78Å; L332-G335 PolarHBondContact O-N 3.36Å; L332-T338 HydrophobicContact CD2-CG2 4.01Å; L332-T338 HydrophobicContact CG-CG2 4.04Å; L332-H382 VanDerWaalsContact CD2-CE1 3.46Å; L332-H382 WeakPolarHBondContact CD2-CE1 3.47Å; L332-H382 PolarHBondContact O-NE2 3.37Å; L332-M386 HydrophobicContact CD1-CE 3.96Å
333S83.5Confident85.3Confident12 Ų1220.4 Ų20.48%0.08411%0.107CC..Hα-helixtrans-64.1-29.2179.478.60000112.7N329 R330 V331 G335 K381N329-S333 WeakPolarHBondContact O-CB 3.47Å; N329-S333 PolarHBondContact O-N 2.97Å; R330-S333 WeakPolarHBondContact CA-OG 3.41Å; R330-S333 WeakPolarHBondContact O-CB 3.49Å; R330-S333 PolarHBondContact O-N 3.23Å; R330-S333 VanDerWaalsContact O-N 3.11Å; R330-S333 PolarHBondContact O-OG 2.83Å; V331-S333 VanDerWaalsContact C-N 3.32Å; V331-S333 PolarHBondContact O-N 3.48Å; S333-G335 PolarHBondContact O-N 2.78Å; S333-K381 WeakPolarHBondContact O-CD 3.46Å; S333-K381 PolarHBondContact O-NZ 3.4Å
334L83.9Confident85.9Confident67 Ų6720 Ų2035%0.35111%0.105SC..THydrogen-bonded Turntrans-76.1-7.6173.6-67.2-179.5000113.1L301 F305 R330 V331 L332 Y336L301-L334 HydrophobicContact CD2-CD1 4.47Å; F305-L334 HydrophobicContact CD1-CD1 3.75Å; F305-L334 HydrophobicContact CE1-CD1 4.27Å; R330-L334 PolarHBondContact O-N 2.93Å; V331-L334 PolarHBondContact O-N 3.47Å; L332-L334 PolarHBondContact O-N 2.78Å; L334-Y336 HydrophobicContact CB-CD2 3.71Å; L334-Y336 HydrophobicContact CB-CE2 4.09Å
335G82.8Confident86.4Confident37 Ų3723.1 Ų23.138%0.38112%0.118SC..THydrogen-bonded Turntrans87.86.6-179.800000114.4L332 S333L332-G335 PolarHBondContact O-N 3.36Å; S333-G335 PolarHBondContact O-N 2.78Å
336Y88.2Confident86.7Confident67 Ų6721.4 Ų21.426%0.26311%0.111SC..  trans-78146.8172.8-71.4-91.9000110.8M244 L301 V331 L334 H382M244-Y336 CarbonylContact O-C 3.24Å; M244-Y336 WeakPolarHBondContact O-CA 3.27Å; M244-Y336 WeakPolarHBondContact O-CB 3.32Å; M244-Y336 WeakPolarHBondContact O-CD1 3.47Å; L301-Y336 HydrophobicContact CD1-CD1 3.87Å; L301-Y336 HydrophobicContact CD1-CD2 3.87Å; L301-Y336 HydrophobicContact CD1-CE1 4.09Å; L301-Y336 HydrophobicContact CD1-CE2 4.1Å; L301-Y336 HydrophobicContact CD1-CG 3.77Å; L301-Y336 HydrophobicContact CD2-CD2 3.93Å; L301-Y336 HydrophobicContact CD2-CE1 4.06Å; L301-Y336 HydrophobicContact CD2-CE2 3.33Å; L301-Y336 VanDerWaalsContact CD2-CZ 3.41Å; L301-Y336 HydrophobicContact CG-CE2 4.37Å; V331-Y336 PolarHBondContact O-N 3.43Å; L334-Y336 HydrophobicContact CB-CD2 3.71Å; L334-Y336 HydrophobicContact CB-CE2 4.09Å; Y336-H382 PolarHBondContact O-CE1 3.25Å
337A88.9Confident87Confident20 Ų2023.2 Ų23.217%0.16512%0.121CC..EExtended strand (participates in β ladder)trans-76.4151.2173.300000111.2M244 V245 G246 G285M244-A337 PolarHBondContact O-N 2.99Å; V245-A337 CarbonylContact C-O 3.5Å; V245-A337 VanDerWaalsContact CA-O 3.31Å; V245-A337 WeakPolarHBondContact CA-O 3.23Å; V245-A337 HydrophobicContact CG2-CB 4.24Å; G246-A337 PolarHBondContact N-O 3.17Å; G285-A337 VanDerWaalsContact O-CA 3.31Å; G285-A337 WeakPolarHBondContact O-CA 3.48Å
338T91.6Very high87.2Confident0 Ų023.5 Ų23.50%012%0.123CC..EExtended strand (participates in β ladder)trans-122.4130.6172.154.50000109.5G247 G285 V287 I290 T328 V331 L332G247-T338 WeakPolarHBondContact O-CA 3.49Å; G285-T338 CarbonylContact C-O 3.51Å; G285-T338 VanDerWaalsContact C-O 3.24Å; G285-T338 PolarHBondContact O-N 3.26Å; V287-T338 WeakPolarHBondContact CA-OG1 3.2Å; V287-T338 WeakPolarHBondContact CG2-O 3.46Å; V287-T338 PolarHBondContact N-O 3.26Å; V287-T338 PolarHBondContact N-OG1 3.42Å; V287-T338 PolarHBondContact O-OG1 2.78Å; I290-T338 HydrophobicContact CD1-CG2 4.25Å; T328-T338 HydrophobicContact CG2-CG2 4Å; V331-T338 HydrophobicContact CB-CG2 4.28Å; V331-T338 HydrophobicContact CG1-CG2 3.85Å; L332-T338 HydrophobicContact CD2-CG2 4.01Å; L332-T338 HydrophobicContact CG-CG2 4.04Å
339K92.3Very high87.1Confident43 Ų4324.6 Ų24.619%0.18713%0.128CC..EExtended strand (participates in β ladder)trans-115.7164.7-176.4-73.8-167.4179.4174.10112.4V238 V245 G247 V248 G249V238-K339 HydrophobicContact CG1-CB 3.96Å; V238-K339 HydrophobicContact CG1-CD 3.92Å; V245-K339 HydrophobicContact CG1-CB 4.19Å; V245-K339 HydrophobicContact CG1-CG 4.14Å; V245-K339 HydrophobicContact CG2-CD 3.81Å; V245-K339 HydrophobicContact CG2-CG 3.98Å; G247-K339 PolarHBondContact O-N 3.11Å; V248-K339 CarbonylContact C-O 3.51Å; V248-K339 VanDerWaalsContact CA-O 3.27Å; V248-K339 WeakPolarHBondContact CA-O 3.17Å; G249-K339 PolarHBondContact N-O 2.94Å
340Y92.9Very high87.1Confident6 Ų624.6 Ų24.62%0.02413%0.128CC..EExtended strand (participates in β ladder)trans-124.8146.2171.3159.1-95.6000109M80 G249 G250 D251 F274 N275 R278 A279 S282 A342M80-Y340 HydrophobicContact CE-CD1 3.77Å; M80-Y340 HydrophobicContact CE-CE1 4.15Å; M80-Y340 WeakPolarHBondContact CE-O 3.49Å; G249-Y340 CarbonylContact O-C 3.6Å; G249-Y340 WeakPolarHBondContact O-CA 3.29Å; G249-Y340 WeakPolarHBondContact O-CD2 3.4Å; G250-Y340 WeakPolarHBondContact O-CE2 3.17Å; D251-Y340 HydrophobicContact CB-CE2 4.24Å; D251-Y340 WeakPolarHBondContact CB-OH 3.28Å; D251-Y340 PolarHBondContact OD1-OH 3.43Å; F274-Y340 HydrophobicContact CB-CE2 3.88Å; F274-Y340 HydrophobicContact CD1-CD2 4.22Å; F274-Y340 AromaticContact CD1-CE2 3.74Å; F274-Y340 HydrophobicContact CD1-CE2 3.74Å; F274-Y340 HydrophobicContact CG-CE2 4.27Å; F274-Y340 VanDerWaalsContact O-CE1 3.25Å; F274-Y340 WeakPolarHBondContact O-CE1 3.43Å; N275-Y340 PolarHBondContact OD1-OH 3.45Å; R278-Y340 HydrophobicContact CB-CD1 4.44Å; R278-Y340 HydrophobicContact CB-CD2 4.34Å; R278-Y340 HydrophobicContact CB-CG 4.12Å; A279-Y340 HydrophobicContact CB-CD1 4.18Å; A279-Y340 HydrophobicContact CB-CE1 4.17Å; S282-Y340 PolarHBondContact OG-N 2.9Å; S282-Y340 PolarHBondContact OG-O 3.29Å; Y340-A342 HydrophobicContact CE1-CB 3.99Å
341T88.9Confident86.8Confident1 Ų123 Ų231%0.00612%0.122CC..EExtended strand (participates in β ladder)trans-129.5123.3173.8-179.90000111M235 V248 G249 R343M235-T341 HydrophobicContact CG-CG2 4.15Å; V248-T341 HydrophobicContact CG2-CG2 3.96Å; G249-T341 PolarHBondContact O-N 2.86Å; T341-R343 PolarHBondContact O-N 3.29Å; T341-R343 PolarHBondContact OG1-N 3.08Å
342A87Confident86.6Confident16 Ų1626.7 Ų26.713%0.13214%0.141CC..EExtended strand (participates in β ladder)trans-75.2-9.3177.300000113.4H77 M80 Y340H77-A342 VanDerWaalsContact CE1-CB 3.49Å; H77-A342 WeakPolarHBondContact CE1-CB 3.39Å; M80-A342 HydrophobicContact SD-CB 4Å; M80-A342 PolarHBondContact SD-N 3.18Å; M80-A342 VanDerWaalsContact SD-N 3.39Å; Y340-A342 HydrophobicContact CE1-CB 3.99Å
343R84.9Confident86.6Confident48 Ų4830.4 Ų30.418%0.18116%0.164CC..EExtended strand (participates in β ladder)trans-81.8-31.9179.8-64.6-163-75.6170.2-11.5112.5M80 S83 E234 T341 K345M80-R343 PolarHBondContact O-NH2 3.4Å; S83-R343 PolarHBondContact O-NH2 3.4Å; S83-R343 VanDerWaalsContact O-NH2 3.12Å; E234-R343 HydrophobicContact CB-CB 4.31Å; E234-R343 HydrophobicContact CG-CB 4.11Å; E234-R343 IonicContact OE1-NH1 3.23Å; E234-R343 IonicContact OE2-CZ 2.63Å; E234-R343 IonicContact OE2-NE 2.94Å; E234-R343 PolarHBondContact OE2-NE 3.04Å; E234-R343 VanDerWaalsContact OE2-NE 3.07Å; E234-R343 IonicContact OE2-NH1 2.79Å; E234-R343 PolarHBondContact OE2-NH1 3.42Å; E234-R343 IonicContact OE2-NH2 2.74Å; E234-R343 PolarHBondContact OE2-NH2 3.45Å; T341-R343 PolarHBondContact O-N 3.29Å; T341-R343 PolarHBondContact OG1-N 3.08Å; R343-K345 PolarHBondContact O-N 3.49Å
344S86.1Confident86.6Confident0 Ų033 Ų330%017%0.172CC..EExtended strand (participates in β ladder)trans-83111.6174.3-168.70000108.6S231 M235 G250 D251 L294S231-S344 VanDerWaalsContact C-OG 3.26Å; S231-S344 WeakPolarHBondContact CA-OG 3.33Å; S231-S344 WeakPolarHBondContact CB-OG 3.17Å; S231-S344 PolarHBondContact O-OG 3.21Å; M235-S344 WeakPolarHBondContact CG-OG 3.16Å; M235-S344 PolarHBondContact SD-OG 3.34Å; M235-S344 VanDerWaalsContact SD-OG 3.39Å; G250-S344 CarbonylContact C-O 3.57Å; G250-S344 WeakPolarHBondContact CA-O 3.41Å; D251-S344 PolarHBondContact N-O 3.42Å; L294-S344 WeakPolarHBondContact CD2-OG 3.43Å
345K89.5Confident86.5Confident93 Ų9331.8 Ų31.840%0.40417%0.166SC..EExtended strand (participates in β ladder)trans-114.2146.7-174.9-64.9171.5-173.2165.40111D228 D251 R343D228-K345 HydrophobicContact CB-CB 4.22Å; D228-K345 WeakPolarHBondContact CB-O 3.43Å; D228-K345 PolarHBondContact N-O 3.19Å; D251-K345 HydrophobicContact CB-CG 4.25Å; D251-K345 WeakPolarHBondContact O-CA 3.48Å; R343-K345 PolarHBondContact O-N 3.49Å
346C88.6Confident86.4Confident2 Ų233.3 Ų33.31%0.01416%0.16CC..EExtended strand (participates in β ladder)trans-138.7160.2165.5680000111.7T225 M226 L227 D251 Q253 L294T225-C346 HydrophobicContact CG2-CB 3.52Å; M226-C346 CarbonylContact O-C 3.44Å; M226-C346 WeakPolarHBondContact O-CA 2.97Å; M226-C346 VanDerWaalsContact O-CB 3.23Å; M226-C346 WeakPolarHBondContact O-CB 3.4Å; L227-C346 HydrophobicContact CD2-CB 3.86Å; D251-C346 PolarHBondContact O-N 2.81Å; Q253-C346 WeakPolarHBondContact CA-O 3.35Å; Q253-C346 WeakPolarHBondContact CB-O 3.4Å; Q253-C346 PolarHBondContact N-O 3.41Å; L294-C346 HydrophobicContact CB-CB 4.25Å; L294-C346 HydrophobicContact CD2-CB 3.86Å
347L87.4Confident86.3Confident38 Ų3830.1 Ų30.120%0.19915%0.147CC..EExtended strand (participates in β ladder)trans-120.1119.6179.4-66.5163.1000109.2T225 M226 Q253 L255T225-L347 CarbonylContact C-O 3.56Å; T225-L347 VanDerWaalsContact CA-O 3.31Å; T225-L347 WeakPolarHBondContact CA-O 3.22Å; M226-L347 HydrophobicContact CB-CB 4.32Å; M226-L347 PolarHBondContact N-O 2.91Å; M226-L347 PolarHBondContact O-N 2.7Å; Q253-L347 HydrophobicContact CB-CD2 3.68Å; Q253-L347 CarbonylContact O-C 3.56Å; Q253-L347 VanDerWaalsContact O-CA 3.29Å; Q253-L347 WeakPolarHBondContact O-CA 3.39Å; L255-L347 HydrophobicContact CB-CB 4.26Å; L255-L347 HydrophobicContact CD1-CB 4.26Å; L255-L347 HydrophobicContact CD1-CD1 4.31Å
348T86.5Confident86.1Confident7 Ų729.1 Ų29.14%0.04314%0.14CC..EExtended strand (participates in β ladder)trans-121.5157.7-178.9-171.50000111.5D224 T225 V252 Q253 I254 L255D224-T348 PolarHBondContact OD2-OG1 2.91Å; T225-T348 PolarHBondContact OG1-OG1 2.96Å; V252-T348 HydrophobicContact CG1-CG2 3.42Å; V252-T348 VanDerWaalsContact CG1-CG2 3.42Å; Q253-T348 PolarHBondContact O-N 3.22Å; I254-T348 WeakPolarHBondContact CA-O 3.5Å; I254-T348 HydrophobicContact CD1-CG2 3.89Å; L255-T348 PolarHBondContact N-O 3.15Å
349E84.8Confident85.6Confident22 Ų2230 Ų3010%0.10314%0.144CC..  trans-83.5140176-171.6-92.7142.200110.6Y107 D224 R356 R478Y107-E349 HydrophobicContact CE2-CG 4.25Å; D224-E349 HydrophobicContact CB-CB 4.43Å; D224-E349 WeakPolarHBondContact OD2-CB 3.08Å; D224-E349 PolarHBondContact OD2-N 3.12Å; E349-R356 IonicContact OE2-NH2 2.78Å; E349-R478 IonicContact OE2-CZ 2.68Å; E349-R478 IonicContact OE2-NH1 2.95Å; E349-R478 PolarHBondContact OE2-NH1 3.14Å
350T84Confident85.2Confident2 Ų229.5 Ų29.51%0.01214%0.143CC..  trans-118.1143.2171.9-171.40000110.8I254 N256 S263 I352I254-T350 HydrophobicContact CD1-CG2 4.35Å; I254-T350 HydrophobicContact CG1-CG2 4.41Å; I254-T350 HydrophobicContact CG2-CG2 3.47Å; I254-T350 VanDerWaalsContact CG2-CG2 3.47Å; N256-T350 PolarHBondContact ND2-O 2.83Å; N256-T350 PolarHBondContact OD1-N 3.31Å; S263-T350 WeakPolarHBondContact OG-CG2 3.42Å; T350-I352 PolarHBondContact O-N 3.33Å
351P80.2Confident84.8Confident2 Ų230.3 Ų30.31%0.01315%0.147CC..  trans-52.5127.9-179.8-27.133.6000113.4R356 W357P351-R356 HydrophobicContact CB-CB 4Å; P351-R356 HydrophobicContact CB-CG 3.8Å; P351-R356 HydrophobicContact CG-CG 4.02Å; P351-W357 HydrophobicContact CB-CB 4.4Å
352I82.3Confident84.6Confident78 Ų7830.8 Ų30.840%0.415%0.149SC..SBendtrans-75.2-29176.658.9174.4000113.2N256 E259 S260 T350N256-I352 WeakPolarHBondContact ND2-CG2 3.5Å; E259-I352 HydrophobicContact CB-CG2 3.96Å; E259-I352 VanDerWaalsContact OE2-CG2 3.32Å; E259-I352 WeakPolarHBondContact OE2-CG2 3.21Å; S260-I352 WeakPolarHBondContact CB-O 3.46Å; S260-I352 PolarHBondContact OG-O 3.3Å; T350-I352 PolarHBondContact O-N 3.33Å
353T83.9Confident84.3Confident78 Ų7833.8 Ų33.848%0.47916%0.157SC..SBendtrans-92.1132-175.2-50.60000111.2L355 R356 W357T353-L355 PolarHBondContact O-N 3.34Å; T353-R356 PolarHBondContact O-N 2.63Å; T353-W357 PolarHBondContact O-N 3.49Å
354Y84.3Confident84.2Confident67 Ų6734.8 Ų34.826%0.26316%0.161SC..Hα-helixtrans-54.7-43.6-178.4177-103000114I262 R356 W357 L358 L452 S456 L488 I491I262-Y354 HydrophobicContact CD1-CD2 3.88Å; I262-Y354 HydrophobicContact CG1-CD2 4.44Å; Y354-R356 PolarHBondContact O-N 3.01Å; Y354-W357 HydrophobicContact CD2-CE3 4.07Å; Y354-W357 HydrophobicContact CD2-CZ3 4.36Å; Y354-W357 HydrophobicContact CE2-CE3 4.03Å; Y354-W357 AromaticContact CE2-CZ3 3.88Å; Y354-W357 HydrophobicContact CE2-CZ3 3.88Å; Y354-W357 WeakPolarHBondContact O-CB 3.33Å; Y354-W357 PolarHBondContact O-N 3.07Å; Y354-L358 HydrophobicContact CE1-CD2 4.34Å; Y354-L358 WeakPolarHBondContact O-CB 3.27Å; Y354-L358 PolarHBondContact O-N 3.46Å; Y354-L452 HydrophobicContact CE2-CD2 4.37Å; Y354-S456 VanDerWaalsContact OH-CB 3.29Å; Y354-S456 WeakPolarHBondContact OH-CB 3.48Å; Y354-S456 PolarHBondContact OH-OG 3.47Å; Y354-L488 HydrophobicContact CE1-CD2 4.46Å; Y354-I491 HydrophobicContact CE1-CD1 4.45Å; Y354-I491 WeakPolarHBondContact OH-CD1 3.39Å
355L81.8Confident84.1Confident41 Ų4135.4 Ų35.422%0.21517%0.165CC..Hα-helixtrans-61.9-44.5179.1-68.8173.3000112.5T353 L358 N359 V483 F485 L488T353-L355 PolarHBondContact O-N 3.34Å; L355-L358 PolarHBondContact O-N 3.41Å; L355-N359 PolarHBondContact O-N 3.31Å; L355-N359 PolarHBondContact O-ND2 3.19Å; L355-V483 HydrophobicContact CD1-CG1 4.16Å; L355-F485 HydrophobicContact CD1-CD1 4.27Å; L355-F485 HydrophobicContact CD1-CE1 3.93Å; L355-L488 HydrophobicContact CD2-CD1 3.69Å; L355-L488 HydrophobicContact CD2-CD2 3.49Å; L355-L488 VanDerWaalsContact CD2-CD2 3.49Å; L355-L488 HydrophobicContact CD2-CG 3.44Å; L355-L488 VanDerWaalsContact CD2-CG 3.44Å
356R80.3Confident83.8Confident68 Ų6832.5 Ų32.526%0.25715%0.152SC..Hα-helixtrans-67.5-40.8179.2-173.1174.5163.9-169.7-12.7110.9E349 P351 T353 Y354 N359 Q360E349-R356 IonicContact OE2-NH2 2.78Å; P351-R356 HydrophobicContact CB-CB 4Å; P351-R356 HydrophobicContact CB-CG 3.8Å; P351-R356 HydrophobicContact CG-CG 4.02Å; T353-R356 PolarHBondContact O-N 2.63Å; Y354-R356 PolarHBondContact O-N 3.01Å; R356-N359 PolarHBondContact O-N 3.21Å; R356-Q360 WeakPolarHBondContact O-CB 3.28Å; R356-Q360 PolarHBondContact O-N 3.5Å
357W86.1Confident83.4Confident0 Ų032.6 Ų32.60%015%0.154CC..Hα-helixtrans-57.8-48.5171.517486.7000111.4I262 S266 P351 T353 Y354 N359 Q360 Q361 Y449 L452 L457I262-W357 HydrophobicContact CG2-CB 3.74Å; I262-W357 HydrophobicContact CG2-CD2 3.99Å; I262-W357 HydrophobicContact CG2-CG 3.51Å; S266-W357 PolarHBondContact OG-NE1 2.96Å; S266-W357 VanDerWaalsContact OG-NE1 3.16Å; P351-W357 HydrophobicContact CB-CB 4.4Å; T353-W357 PolarHBondContact O-N 3.49Å; Y354-W357 HydrophobicContact CD2-CE3 4.07Å; Y354-W357 HydrophobicContact CD2-CZ3 4.36Å; Y354-W357 HydrophobicContact CE2-CE3 4.03Å; Y354-W357 AromaticContact CE2-CZ3 3.88Å; Y354-W357 HydrophobicContact CE2-CZ3 3.88Å; Y354-W357 WeakPolarHBondContact O-CB 3.33Å; Y354-W357 PolarHBondContact O-N 3.07Å; W357-N359 PolarHBondContact O-N 3.01Å; W357-Q360 WeakPolarHBondContact O-CB 3.49Å; W357-Q360 PolarHBondContact O-N 3.45Å; W357-Q360 VanDerWaalsContact O-N 3.16Å; W357-Q361 HydrophobicContact CD2-CG 3.96Å; W357-Q361 HydrophobicContact CE3-CG 4.45Å; W357-Q361 HydrophobicContact CG-CG 4.4Å; W357-Q361 HydrophobicContact CH2-CG 4.37Å; W357-Q361 HydrophobicContact CZ2-CG 3.87Å; W357-Q361 VanDerWaalsContact O-CG 3.3Å; W357-Q361 WeakPolarHBondContact O-CG 3.45Å; W357-Q361 PolarHBondContact O-N 3.2Å; W357-Y449 HydrophobicContact CZ2-CE2 4.48Å; W357-L452 HydrophobicContact CH2-CB 4.31Å; W357-L452 HydrophobicContact CH2-CD1 4.33Å; W357-L452 HydrophobicContact CZ2-CD1 4.44Å; W357-L457 HydrophobicContact CH2-CD1 4.24Å; W357-L457 HydrophobicContact CH2-CD2 3.71Å; W357-L457 HydrophobicContact CH2-CG 3.87Å; W357-L457 HydrophobicContact CZ2-CD1 4.34Å; W357-L457 HydrophobicContact CZ2-CD2 4.04Å; W357-L457 HydrophobicContact CZ2-CG 4.38Å; W357-L457 HydrophobicContact CZ3-CD2 4.43Å
358L84.6Confident83.3Confident0 Ų032.9 Ų32.90%015%0.152CC..Hα-helixtrans-62.2-43-179-178.762.8000112.8Y354 L355 Q360 Q361 T362 A460 G487 L488 I491Y354-L358 HydrophobicContact CE1-CD2 4.34Å; Y354-L358 WeakPolarHBondContact O-CB 3.27Å; Y354-L358 PolarHBondContact O-N 3.46Å; L355-L358 PolarHBondContact O-N 3.41Å; L358-Q360 VanDerWaalsContact C-N 3.32Å; L358-Q360 PolarHBondContact O-N 3.29Å; L358-Q361 PolarHBondContact O-N 2.99Å; L358-T362 WeakPolarHBondContact O-CB 3.2Å; L358-T362 PolarHBondContact O-N 3.29Å; L358-T362 PolarHBondContact O-OG1 2.88Å; L358-A460 HydrophobicContact CD1-CB 4.05Å; L358-G487 WeakPolarHBondContact CD2-O 3.37Å; L358-L488 HydrophobicContact CD2-CD2 4.26Å; L358-I491 HydrophobicContact CD1-CD1 3.82Å; L358-I491 HydrophobicContact CD2-CD1 3.29Å; L358-I491 HydrophobicContact CD2-CG1 4.16Å; L358-I491 HydrophobicContact CG-CD1 4.19Å
359N82.3Confident83.2Confident19 Ų1933.3 Ų33.310%0.10215%0.154CC..Hα-helixtrans-63.6-39.6175.8-70.6-27.4000111.3L355 R356 W357 T362 R363 T475 N484 G487L355-N359 PolarHBondContact O-N 3.31Å; L355-N359 PolarHBondContact O-ND2 3.19Å; R356-N359 PolarHBondContact O-N 3.21Å; W357-N359 PolarHBondContact O-N 3.01Å; N359-T362 PolarHBondContact O-N 2.91Å; N359-R363 PolarHBondContact O-N 3.31Å; N359-T475 HydrophobicContact CB-CG2 4.11Å; N359-N484 PolarHBondContact ND2-O 3.17Å; N359-G487 WeakPolarHBondContact OD1-CA 3.4Å; N359-G487 PolarHBondContact OD1-N 2.94Å
360Q82.9Confident83Confident32 Ų3232.9 Ų32.915%0.1515%0.151CC..Hα-helixtrans-62.4-46.5174.1-173.4-174.458.700111.7R356 W357 L358 T362 R363 W364R356-Q360 WeakPolarHBondContact O-CB 3.28Å; R356-Q360 PolarHBondContact O-N 3.5Å; W357-Q360 WeakPolarHBondContact O-CB 3.49Å; W357-Q360 PolarHBondContact O-N 3.45Å; W357-Q360 VanDerWaalsContact O-N 3.16Å; L358-Q360 VanDerWaalsContact C-N 3.32Å; L358-Q360 PolarHBondContact O-N 3.29Å; Q360-T362 VanDerWaalsContact C-N 3.34Å; Q360-T362 PolarHBondContact O-N 2.63Å; Q360-R363 WeakPolarHBondContact O-CB 3.31Å; Q360-R363 PolarHBondContact O-N 2.98Å; Q360-W364 HydrophobicContact CG-CD2 4.34Å; Q360-W364 HydrophobicContact CG-CH2 4.12Å; Q360-W364 HydrophobicContact CG-CZ2 3.53Å; Q360-W364 PolarHBondContact O-N 2.79Å
361Q85.4Confident83Confident23 Ų2332.9 Ų32.911%0.10715%0.151CC..Hα-helixtrans-64.8-37.5178.2-65.1-59.4-38.400112.7W357 L358 W364 S365 L457W357-Q361 HydrophobicContact CD2-CG 3.96Å; W357-Q361 HydrophobicContact CE3-CG 4.45Å; W357-Q361 HydrophobicContact CG-CG 4.4Å; W357-Q361 HydrophobicContact CH2-CG 4.37Å; W357-Q361 HydrophobicContact CZ2-CG 3.87Å; W357-Q361 VanDerWaalsContact O-CG 3.3Å; W357-Q361 WeakPolarHBondContact O-CG 3.45Å; W357-Q361 PolarHBondContact O-N 3.2Å; L358-Q361 PolarHBondContact O-N 2.99Å; Q361-W364 PolarHBondContact O-N 3.46Å; Q361-S365 WeakPolarHBondContact O-CB 3.48Å; Q361-S365 PolarHBondContact O-N 3.48Å; Q361-S365 PolarHBondContact O-OG 3.29Å; Q361-L457 HydrophobicContact CB-CD2 3.54Å; Q361-L457 HydrophobicContact CG-CD2 3.67Å
362T82.8Confident83.1Confident10 Ų1035.2 Ų35.26%0.06116%0.159CC..Hα-helixtrans-62.5-45.3174.8-56.60000110.3L358 N359 Q360 W364 S365 K366 F463 A464L358-T362 WeakPolarHBondContact O-CB 3.2Å; L358-T362 PolarHBondContact O-N 3.29Å; L358-T362 PolarHBondContact O-OG1 2.88Å; N359-T362 PolarHBondContact O-N 2.91Å; Q360-T362 VanDerWaalsContact C-N 3.34Å; Q360-T362 PolarHBondContact O-N 2.63Å; T362-W364 PolarHBondContact O-N 2.87Å; T362-S365 PolarHBondContact O-N 2.86Å; T362-K366 WeakPolarHBondContact O-CG 3.18Å; T362-K366 PolarHBondContact O-N 3.25Å; T362-F463 HydrophobicContact CG2-CD1 4.01Å; T362-A464 HydrophobicContact CG2-CB 4.35Å
363R80.8Confident83.2Confident79 Ų7935.3 Ų35.330%0.29816%0.16SC..Hα-helixtrans-60.2-44.8175.4-179.1177.263.188.8-5.3112.1F321 N359 Q360 S365 K366 S367F321-R363 HydrophobicContact CD1-CG 4.07Å; F321-R363 HydrophobicContact CE1-CG 4.46Å; F321-R363 HydrophobicContact CG-CG 4.48Å; N359-R363 PolarHBondContact O-N 3.31Å; Q360-R363 WeakPolarHBondContact O-CB 3.31Å; Q360-R363 PolarHBondContact O-N 2.98Å; R363-S365 VanDerWaalsContact C-N 3.3Å; R363-S365 PolarHBondContact O-N 3.18Å; R363-K366 PolarHBondContact O-N 3.24Å; R363-S367 PolarHBondContact O-N 3.4Å; R363-S367 VanDerWaalsContact O-N 3.13Å
364W83.1Confident83Confident70 Ų7033.8 Ų33.827%0.26515%0.146SC..Hα-helixtrans-64.3-36.7177.4-67.9-6.7000112.7Y270 R325 Q360 Q361 T362 Y368Y270-W364 HydrophobicContact CE2-CH2 4.17Å; Y270-W364 HydrophobicContact CE2-CZ3 4.19Å; Y270-W364 AromaticContact CZ-CH2 3.96Å; Y270-W364 WeakPolarHBondContact OH-CH2 3.36Å; R325-W364 PolarHBondContact NH1-O 3.36Å; Q360-W364 HydrophobicContact CG-CD2 4.34Å; Q360-W364 HydrophobicContact CG-CH2 4.12Å; Q360-W364 HydrophobicContact CG-CZ2 3.53Å; Q360-W364 PolarHBondContact O-N 2.79Å; Q361-W364 PolarHBondContact O-N 3.46Å; T362-W364 PolarHBondContact O-N 2.87Å; W364-Y368 VanDerWaalsContact O-CB 3.31Å; W364-Y368 WeakPolarHBondContact O-CB 3.47Å; W364-Y368 PolarHBondContact O-N 2.99Å
365S85Confident82.8Confident12 Ų1230.7 Ų30.78%0.08413%0.134CC..Hα-helixtrans-66.2-41.2176-60.10000111.6Q361 T362 R363 Y368 F369Q361-S365 WeakPolarHBondContact O-CB 3.48Å; Q361-S365 PolarHBondContact O-N 3.48Å; Q361-S365 PolarHBondContact O-OG 3.29Å; T362-S365 PolarHBondContact O-N 2.86Å; R363-S365 VanDerWaalsContact C-N 3.3Å; R363-S365 PolarHBondContact O-N 3.18Å; S365-Y368 WeakPolarHBondContact O-CB 3.14Å; S365-Y368 PolarHBondContact O-N 2.85Å; S365-Y368 VanDerWaalsContact O-N 3.15Å; S365-F369 WeakPolarHBondContact O-CD2 3.48Å; S365-F369 PolarHBondContact O-N 2.75Å
366K82.8Confident82.7Confident32 Ų3231.3 Ų31.314%0.13914%0.142CC..Hα-helixtrans-58.5-51.8174.2-70.6-175.2-178.8-158.10111.7T362 R363 Y368 F369 R370 A464 T467T362-K366 WeakPolarHBondContact O-CG 3.18Å; T362-K366 PolarHBondContact O-N 3.25Å; R363-K366 PolarHBondContact O-N 3.24Å; K366-Y368 PolarHBondContact O-N 2.97Å; K366-F369 PolarHBondContact O-N 3.27Å; K366-R370 PolarHBondContact O-N 2.66Å; K366-A464 HydrophobicContact CB-CB 4.37Å; K366-A464 HydrophobicContact CG-CB 3.52Å; K366-T467 WeakPolarHBondContact CE-OG1 3.31Å; K366-T467 PolarHBondContact NZ-O 3.21Å; K366-T467 PolarHBondContact NZ-OG1 3.48Å
367S79.6Confident82.6Confident5 Ų532.9 Ų32.94%0.03515%0.153CC..Hα-helixtrans-60-36.8176.3164.80000111.3G322 R325 R363 E371G322-S367 WeakPolarHBondContact CA-OG 3.44Å; R325-S367 VanDerWaalsContact NH1-C 3.3Å; R325-S367 PolarHBondContact NH1-OG 2.92Å; R363-S367 PolarHBondContact O-N 3.4Å; R363-S367 VanDerWaalsContact O-N 3.13Å; S367-E371 VanDerWaalsContact O-CB 3.25Å; S367-E371 WeakPolarHBondContact O-CB 3.22Å; S367-E371 VanDerWaalsContact O-CG 3.28Å; S367-E371 WeakPolarHBondContact O-CG 3.19Å; S367-E371 PolarHBondContact O-N 2.72Å
368Y85.4Confident82.2Confident44 Ų4436 Ų3617%0.17317%0.165CC..Hα-helixtrans-63.5-52.7-178.4173.5-97.2000111W364 S365 K366 R370 E371 W372 T393W364-Y368 VanDerWaalsContact O-CB 3.31Å; W364-Y368 WeakPolarHBondContact O-CB 3.47Å; W364-Y368 PolarHBondContact O-N 2.99Å; S365-Y368 WeakPolarHBondContact O-CB 3.14Å; S365-Y368 PolarHBondContact O-N 2.85Å; S365-Y368 VanDerWaalsContact O-N 3.15Å; K366-Y368 PolarHBondContact O-N 2.97Å; Y368-R370 VanDerWaalsContact C-N 3.35Å; Y368-R370 PolarHBondContact O-N 3.08Å; Y368-E371 PolarHBondContact O-N 3.14Å; Y368-W372 WeakPolarHBondContact O-CB 3.25Å; Y368-W372 PolarHBondContact O-N 2.76Å; Y368-T393 PolarHBondContact OH-OG1 2.97Å
369F83.9Confident82Confident16 Ų1637 Ų377%0.0717%0.169CC..Hα-helixtrans-64.9-38.1-178.7-73.4-68.4000112.8S365 K366 W372 L373 K461 I465 I468S365-F369 WeakPolarHBondContact O-CD2 3.48Å; S365-F369 PolarHBondContact O-N 2.75Å; K366-F369 PolarHBondContact O-N 3.27Å; F369-W372 PolarHBondContact O-N 2.98Å; F369-L373 WeakPolarHBondContact O-CG 3.47Å; F369-L373 PolarHBondContact O-N 3.42Å; F369-L373 VanDerWaalsContact O-N 3.08Å; F369-K461 HydrophobicContact CE2-CB 4.05Å; F369-K461 HydrophobicContact CE2-CG 4.26Å; F369-K461 HydrophobicContact CZ-CB 4.43Å; F369-I465 HydrophobicContact CB-CG1 4.41Å; F369-I465 HydrophobicContact CD1-CD1 4.24Å; F369-I465 HydrophobicContact CD1-CG1 4.12Å; F369-I465 HydrophobicContact CD2-CD1 4.02Å; F369-I465 HydrophobicContact CD2-CG1 3.45Å; F369-I465 VanDerWaalsContact CD2-CG1 3.45Å; F369-I465 HydrophobicContact CE1-CD1 3.9Å; F369-I465 HydrophobicContact CE1-CG1 4.25Å; F369-I465 HydrophobicContact CE2-CD1 3.66Å; F369-I465 HydrophobicContact CE2-CG1 3.6Å; F369-I465 HydrophobicContact CG-CD1 4.31Å; F369-I465 HydrophobicContact CG-CG1 3.74Å; F369-I465 HydrophobicContact CZ-CD1 3.59Å; F369-I465 HydrophobicContact CZ-CG1 4Å; F369-I468 HydrophobicContact CB-CD1 4.33Å
370R81.6Confident81.7Confident13 Ų1337.4 Ų37.45%0.04917%0.171CC..Hα-helixtrans-62.4-51.5176.2-170.7-168.967-150.2-4.8111.6F314 F321 K366 Y368 W372 L373 Y374 I468F314-R370 HydrophobicContact CD1-CG 4.27Å; F314-R370 HydrophobicContact CD2-CG 3.64Å; F314-R370 HydrophobicContact CE1-CG 4.4Å; F314-R370 HydrophobicContact CE2-CG 3.78Å; F314-R370 HydrophobicContact CG-CG 3.9Å; F314-R370 HydrophobicContact CZ-CG 4.16Å; F321-R370 VanDerWaalsContact O-CZ 3.26Å; F321-R370 PolarHBondContact O-NH1 3.12Å; F321-R370 PolarHBondContact O-NH2 2.87Å; K366-R370 PolarHBondContact O-N 2.66Å; Y368-R370 VanDerWaalsContact C-N 3.35Å; Y368-R370 PolarHBondContact O-N 3.08Å; R370-W372 VanDerWaalsContact C-N 3.28Å; R370-W372 PolarHBondContact O-N 3.45Å; R370-L373 WeakPolarHBondContact O-CB 3.11Å; R370-L373 PolarHBondContact O-N 3.16Å; R370-Y374 PolarHBondContact O-N 3.17Å; R370-Y374 VanDerWaalsContact O-N 3.08Å; R370-I468 HydrophobicContact CB-CD1 4.01Å; R370-I468 HydrophobicContact CB-CG1 4.4Å
371E83Confident81.5Confident1 Ų139.9 Ų39.91%0.00518%0.181CC..Hα-helixtrans-70.6-26.9-179.7-70.3-48.5134.500112.1Q312 R325 H326 N329 S367 Y368 Y374 N375Q312-E371 PolarHBondContact NE2-OE1 2.89Å; R325-E371 HydrophobicContact CB-CB 4.48Å; R325-E371 HydrophobicContact CB-CG 4.01Å; R325-E371 HydrophobicContact CG-CB 3.67Å; R325-E371 HydrophobicContact CG-CG 3.75Å; H326-E371 WeakPolarHBondContact CA-OE2 3.11Å; H326-E371 IonicContact CG-OE1 3.8Å; H326-E371 IonicContact CG-OE2 2.66Å; H326-E371 IonicContact ND1-OE1 2.68Å; H326-E371 IonicContact ND1-OE2 2.87Å; H326-E371 PolarHBondContact ND1-OE2 3.25Å; N329-E371 WeakPolarHBondContact ND2-CB 3.49Å; N329-E371 PolarHBondContact ND2-O 3.44Å; N329-E371 PolarHBondContact ND2-OE2 3.25Å; S367-E371 VanDerWaalsContact O-CB 3.25Å; S367-E371 WeakPolarHBondContact O-CB 3.22Å; S367-E371 VanDerWaalsContact O-CG 3.28Å; S367-E371 WeakPolarHBondContact O-CG 3.19Å; S367-E371 PolarHBondContact O-N 2.72Å; Y368-E371 PolarHBondContact O-N 3.14Å; E371-Y374 PolarHBondContact O-N 3.26Å; E371-N375 WeakPolarHBondContact O-CB 3.46Å; E371-N375 PolarHBondContact O-N 3.32Å
372W84Confident81.4Confident51 Ų5140.1 Ų40.119%0.19318%0.182CC..Hα-helixtrans-63-44.9171.1175.689.6000111.3Y368 F369 R370 Y374 N375 S376 A390 F395Y368-W372 WeakPolarHBondContact O-CB 3.25Å; Y368-W372 PolarHBondContact O-N 2.76Å; F369-W372 PolarHBondContact O-N 2.98Å; R370-W372 VanDerWaalsContact C-N 3.28Å; R370-W372 PolarHBondContact O-N 3.45Å; W372-Y374 VanDerWaalsContact C-N 3.34Å; W372-Y374 PolarHBondContact O-N 2.8Å; W372-N375 PolarHBondContact O-N 2.89Å; W372-S376 PolarHBondContact O-N 3.48Å; W372-A390 PolarHBondContact NE1-O 3.43Å; W372-F395 HydrophobicContact CH2-CE2 4.11Å; W372-F395 HydrophobicContact CH2-CZ 4.33Å; W372-F395 HydrophobicContact CZ2-CE2 4.02Å
373L82.8Confident81.5Confident80 Ų8044.3 Ų44.342%0.41920%0.201SC..Hα-helixtrans-60.9-44.2172.5-69.9171.4000111.2F314 F369 R370 S376F314-L373 HydrophobicContact CZ-CD1 4.28Å; F369-L373 WeakPolarHBondContact O-CG 3.47Å; F369-L373 PolarHBondContact O-N 3.42Å; F369-L373 VanDerWaalsContact O-N 3.08Å; R370-L373 WeakPolarHBondContact O-CB 3.11Å; R370-L373 PolarHBondContact O-N 3.16Å; L373-S376 WeakPolarHBondContact O-CB 3.33Å; L373-S376 PolarHBondContact O-N 3.14Å; L373-S376 PolarHBondContact O-OG 2.88Å
374Y80.1Confident81.8Confident46 Ų4644.3 Ų44.318%0.1821%0.206CC..Hα-helixtrans-64-44.7179.4-170.3-93.9000112.3N329 R330 R370 E371 W372 S376 M377 W378N329-Y374 HydrophobicContact CB-CD1 4.21Å; R330-Y374 PolarHBondContact NE-OH 3.34Å; R330-Y374 PolarHBondContact NH1-OH 2.93Å; R370-Y374 PolarHBondContact O-N 3.17Å; R370-Y374 VanDerWaalsContact O-N 3.08Å; E371-Y374 PolarHBondContact O-N 3.26Å; W372-Y374 VanDerWaalsContact C-N 3.34Å; W372-Y374 PolarHBondContact O-N 2.8Å; Y374-S376 PolarHBondContact O-N 2.93Å; Y374-M377 HydrophobicContact CD2-CE 3.33Å; Y374-M377 HydrophobicContact CE2-CE 3.56Å; Y374-M377 HydrophobicContact CG-CE 3.88Å; Y374-M377 WeakPolarHBondContact O-CE 3.44Å; Y374-M377 PolarHBondContact O-N 3.01Å; Y374-W378 AromaticContact CE1-NE1 3.62Å; Y374-W378 AromaticContact CZ-NE1 3.93Å
375N80.9Confident81.9Confident3 Ų341.9 Ų41.92%0.01620%0.197CC..Hα-helixtrans-65.7-28.5-179.6-162.823000112.4E371 W372 M377 W378 F379 M386E371-N375 WeakPolarHBondContact O-CB 3.46Å; E371-N375 PolarHBondContact O-N 3.32Å; W372-N375 PolarHBondContact O-N 2.89Å; N375-M377 PolarHBondContact O-N 3.43Å; N375-M377 VanDerWaalsContact O-N 3.12Å; N375-W378 PolarHBondContact O-N 3.33Å; N375-F379 HydrophobicContact CB-CE1 4.2Å; N375-F379 VanDerWaalsContact O-CD1 3.25Å; N375-F379 WeakPolarHBondContact O-CD1 3.11Å; N375-F379 WeakPolarHBondContact O-CE1 3.36Å; N375-M386 WeakPolarHBondContact ND2-CE 3.47Å; N375-M386 WeakPolarHBondContact OD1-CE 3.32Å
376S78.8Confident82Confident53 Ų5341.3 Ų41.337%0.37119%0.193SC..Hα-helixtrans-58.5-25.6177.778.40000114.1W372 L373 Y374 W378 F379W372-S376 PolarHBondContact O-N 3.48Å; L373-S376 WeakPolarHBondContact O-CB 3.33Å; L373-S376 PolarHBondContact O-N 3.14Å; L373-S376 PolarHBondContact O-OG 2.88Å; Y374-S376 PolarHBondContact O-N 2.93Å; S376-W378 PolarHBondContact O-N 3.45Å; S376-F379 VanDerWaalsContact CA-CZ 3.49Å
377M78.7Confident82.2Confident102 Ų10240 Ų4050%0.50219%0.188SC..THydrogen-bonded Turntrans-67.9-20.3175.8-64.2-173.9-81.100113.3Y374 N375 H380Y374-M377 HydrophobicContact CD2-CE 3.33Å; Y374-M377 HydrophobicContact CE2-CE 3.56Å; Y374-M377 HydrophobicContact CG-CE 3.88Å; Y374-M377 WeakPolarHBondContact O-CE 3.44Å; Y374-M377 PolarHBondContact O-N 3.01Å; N375-M377 PolarHBondContact O-N 3.43Å; N375-M377 VanDerWaalsContact O-N 3.12Å; M377-H380 PolarHBondContact O-CE1 2.88Å; M377-H380 PolarHBondContact O-ND1 2.93Å
378W78.4Confident82.6Confident64 Ų6441.3 Ų41.324%0.24219%0.192CC..THydrogen-bonded Turntrans-117.54.1-168.6-50.5111.3000114.3Y374 N375 S376 H380 K381Y374-W378 AromaticContact CE1-NE1 3.62Å; Y374-W378 AromaticContact CZ-NE1 3.93Å; N375-W378 PolarHBondContact O-N 3.33Å; S376-W378 PolarHBondContact O-N 3.45Å; W378-H380 PolarHBondContact O-N 3.25Å; W378-H380 VanDerWaalsContact O-N 3.08Å; W378-K381 HydrophobicContact CE3-CD 4.19Å; W378-K381 WeakPolarHBondContact O-CB 3.38Å; W378-K381 PolarHBondContact O-N 3.28Å
379F79.8Confident82.7Confident22 Ų2239.5 Ų39.510%0.09619%0.185CC..G310 helixtrans-54.3-31.7-179.6-70.5-15.7000113.8N375 S376 K381 H382 M386 T387 A390N375-F379 HydrophobicContact CB-CE1 4.2Å; N375-F379 VanDerWaalsContact O-CD1 3.25Å; N375-F379 WeakPolarHBondContact O-CD1 3.11Å; N375-F379 WeakPolarHBondContact O-CE1 3.36Å; S376-F379 VanDerWaalsContact CA-CZ 3.49Å; F379-K381 PolarHBondContact O-N 3.45Å; F379-H382 PolarHBondContact O-N 3.48Å; F379-M386 HydrophobicContact CD1-CE 4.01Å; F379-M386 HydrophobicContact CD1-CG 4.13Å; F379-M386 HydrophobicContact CD1-SD 4.24Å; F379-M386 HydrophobicContact CE1-CE 4.17Å; F379-M386 HydrophobicContact CE1-CG 4.32Å; F379-T387 HydrophobicContact CD2-CG2 4.01Å; F379-A390 HydrophobicContact CE1-CB 4.15Å; F379-A390 HydrophobicContact CE2-CB 3.98Å; F379-A390 HydrophobicContact CZ-CB 3.43Å; F379-A390 VanDerWaalsContact CZ-CB 3.43Å
380H75.8Confident82.8Confident27 Ų2738.7 Ų38.713%0.12518%0.182CC..G310 helixtrans-65.4-17.5178.567.4-87.3000115.2R20 I21 T24 M377 W378R20-H380 HydrophobicContact CB-CB 4.29Å; I21-H380 HydrophobicContact CB-CB 4.31Å; I21-H380 HydrophobicContact CG1-CB 3.71Å; T24-H380 HydrophobicContact CG2-CB 4.4Å; T24-H380 WeakPolarHBondContact OG1-CB 3.31Å; M377-H380 PolarHBondContact O-CE1 2.88Å; M377-H380 PolarHBondContact O-ND1 2.93Å; W378-H380 PolarHBondContact O-N 3.25Å; W378-H380 VanDerWaalsContact O-N 3.08Å
381K78.1Confident83.1Confident84 Ų8438.7 Ų38.737%0.36518%0.183SC..G310 helixtrans-85-14.6178.3-61.9-170.7177.2-179.20112.6S333 W378 F379S333-K381 WeakPolarHBondContact O-CD 3.46Å; S333-K381 PolarHBondContact O-NZ 3.4Å; W378-K381 HydrophobicContact CE3-CD 4.19Å; W378-K381 WeakPolarHBondContact O-CB 3.38Å; W378-K381 PolarHBondContact O-N 3.28Å; F379-K381 PolarHBondContact O-N 3.45Å
382H84.5Confident83.2Confident29 Ų2939.3 Ų39.313%0.13419%0.186CC..SBendtrans-122.1175.4-169.4-69.2-67.2000112.4L332 Y336 F379 M386L332-H382 VanDerWaalsContact CD2-CE1 3.46Å; L332-H382 WeakPolarHBondContact CD2-CE1 3.47Å; L332-H382 PolarHBondContact O-NE2 3.37Å; Y336-H382 PolarHBondContact O-CE1 3.25Å; F379-H382 PolarHBondContact O-N 3.48Å; H382-M386 HydrophobicContact CB-SD 3.42Å; H382-M386 WeakPolarHBondContact CB-SD 3.29Å
383H84.9Confident83.2Confident97 Ų9739 Ų3945%0.44919%0.19SC..  trans-63145.5178.4-169.3-95.3000112.1F284 W385 M386F284-H383 HydrophobicContact CB-CB 4.29Å; F284-H383 AromaticContact CD1-CE1 3.38Å; F284-H383 WeakPolarHBondContact CD1-CE1 3.49Å; F284-H383 AromaticContact CD1-CG 3.73Å; F284-H383 AromaticContact CD1-ND1 3.2Å; F284-H383 WeakPolarHBondContact CD1-ND1 3.25Å; F284-H383 AromaticContact CD1-NE2 3.96Å; F284-H383 AromaticContact CE1-CE1 3.33Å; F284-H383 WeakPolarHBondContact CE1-CE1 3.38Å; F284-H383 AromaticContact CE1-ND1 3.63Å; F284-H383 AromaticContact CE1-NE2 4Å; F284-H383 AromaticContact CG-ND1 3.83Å; H383-W385 VanDerWaalsContact ND1-CB 3.32Å; H383-W385 WeakPolarHBondContact ND1-CB 3.47Å; H383-W385 PolarHBondContact ND1-N 3.13Å; H383-W385 VanDerWaalsContact ND1-N 3.17Å; H383-W385 PolarHBondContact O-N 3.42Å; H383-M386 VanDerWaalsContact O-CB 3.27Å; H383-M386 WeakPolarHBondContact O-CB 3.45Å; H383-M386 PolarHBondContact O-N 3.47Å
384L86.4Confident83.3Confident79 Ų7935.3 Ų35.341%0.41417%0.171SC..Hα-helixtrans-57.5-24.4-178-69.6174.3000114.1T24 F27 M386 T387 Y388T24-L384 HydrophobicContact CG2-CD2 3.81Å; F27-L384 HydrophobicContact CD1-CD2 4.03Å; F27-L384 HydrophobicContact CE1-CB 4.31Å; F27-L384 HydrophobicContact CG-CD2 4.33Å; L384-M386 PolarHBondContact O-N 3.32Å; L384-T387 PolarHBondContact O-N 2.98Å; L384-Y388 PolarHBondContact O-N 2.86Å
385W86.3Confident83.6Confident20 Ų2036 Ų368%0.07618%0.175CC..Hα-helixtrans-54.8-37.6173.8-178.3-99.8000112.1I68 Q69 C280 F284 H383 T387 Y388 E389I68-W385 HydrophobicContact CB-CH2 4.37Å; I68-W385 HydrophobicContact CB-CZ3 4.5Å; I68-W385 HydrophobicContact CG2-CH2 3.66Å; I68-W385 HydrophobicContact CG2-CZ3 3.5Å; Q69-W385 HydrophobicContact CB-CH2 4.48Å; Q69-W385 HydrophobicContact CB-CZ2 4.34Å; Q69-W385 HydrophobicContact CG-CZ2 4.48Å; C280-W385 VanDerWaalsContact SG-CE2 3.59Å; C280-W385 WeakPolarHBondContact SG-CZ2 3.11Å; F284-W385 HydrophobicContact CB-CB 4.33Å; F284-W385 HydrophobicContact CD1-CB 4.14Å; F284-W385 HydrophobicContact CD2-CB 3.65Å; F284-W385 AromaticContact CD2-CD1 3.33Å; F284-W385 AromaticContact CD2-CD2 3.89Å; F284-W385 HydrophobicContact CD2-CD2 3.89Å; F284-W385 AromaticContact CD2-CG 3.3Å; F284-W385 HydrophobicContact CD2-CG 3.3Å; F284-W385 AromaticContact CD2-NE1 3.89Å; F284-W385 HydrophobicContact CE1-CB 4.35Å; F284-W385 HydrophobicContact CE2-CB 3.89Å; F284-W385 AromaticContact CE2-CD1 3.82Å; F284-W385 AromaticContact CE2-CD2 3.54Å; F284-W385 HydrophobicContact CE2-CD2 3.54Å; F284-W385 AromaticContact CE2-CE2 3.98Å; F284-W385 HydrophobicContact CE2-CE3 4.03Å; F284-W385 AromaticContact CE2-CG 3.44Å; F284-W385 HydrophobicContact CE2-CG 3.44Å; F284-W385 VanDerWaalsContact CE2-CG 3.44Å; F284-W385 HydrophobicContact CG-CB 3.77Å; F284-W385 AromaticContact CG-CG 3.95Å; F284-W385 HydrophobicContact CG-CG 3.95Å; F284-W385 HydrophobicContact CZ-CB 4.23Å; F284-W385 HydrophobicContact CZ-CD2 4.25Å; F284-W385 HydrophobicContact CZ-CE3 4.37Å; F284-W385 HydrophobicContact CZ-CG 4.19Å; H383-W385 VanDerWaalsContact ND1-CB 3.32Å; H383-W385 WeakPolarHBondContact ND1-CB 3.47Å; H383-W385 PolarHBondContact ND1-N 3.13Å; H383-W385 VanDerWaalsContact ND1-N 3.17Å; H383-W385 PolarHBondContact O-N 3.42Å; W385-T387 PolarHBondContact O-N 3.34Å; W385-Y388 HydrophobicContact CD2-CD1 4.25Å; W385-Y388 AromaticContact CE3-CD1 3.71Å; W385-Y388 HydrophobicContact CE3-CD1 3.71Å; W385-Y388 HydrophobicContact CE3-CE1 4.13Å; W385-Y388 HydrophobicContact CH2-CD1 4.02Å; W385-Y388 AromaticContact CH2-CE1 3.69Å; W385-Y388 HydrophobicContact CH2-CE1 3.69Å; W385-Y388 HydrophobicContact CZ2-CE1 4.44Å; W385-Y388 AromaticContact CZ3-CD1 3.58Å; W385-Y388 HydrophobicContact CZ3-CD1 3.58Å; W385-Y388 AromaticContact CZ3-CE1 3.5Å; W385-Y388 HydrophobicContact CZ3-CE1 3.5Å; W385-Y388 VanDerWaalsContact CZ3-CE1 3.5Å; W385-Y388 PolarHBondContact O-N 3.38Å; W385-E389 WeakPolarHBondContact O-CB 3.44Å; W385-E389 PolarHBondContact O-N 3.26Å
386M86.5Confident83.8Confident0 Ų038.4 Ų38.40%019%0.185CC..Hα-helixtrans-61.2-46.1178.8-172.9178.5179.500111.6C286 L332 N375 F379 H382 H383 L384 A390C286-M386 HydrophobicContact CB-CB 4.04Å; C286-M386 HydrophobicContact CB-CG 4.19Å; C286-M386 HydrophobicContact CB-SD 4.03Å; L332-M386 HydrophobicContact CD1-CE 3.96Å; N375-M386 WeakPolarHBondContact ND2-CE 3.47Å; N375-M386 WeakPolarHBondContact OD1-CE 3.32Å; F379-M386 HydrophobicContact CD1-CE 4.01Å; F379-M386 HydrophobicContact CD1-CG 4.13Å; F379-M386 HydrophobicContact CD1-SD 4.24Å; F379-M386 HydrophobicContact CE1-CE 4.17Å; F379-M386 HydrophobicContact CE1-CG 4.32Å; H382-M386 HydrophobicContact CB-SD 3.42Å; H382-M386 WeakPolarHBondContact CB-SD 3.29Å; H383-M386 VanDerWaalsContact O-CB 3.27Å; H383-M386 WeakPolarHBondContact O-CB 3.45Å; H383-M386 PolarHBondContact O-N 3.47Å; L384-M386 PolarHBondContact O-N 3.32Å; M386-A390 WeakPolarHBondContact O-CB 3.47Å; M386-A390 PolarHBondContact O-N 3.28Å
387T86.5Confident84.2Confident4 Ų436 Ų363%0.02517%0.168CC..Hα-helixtrans-64.2-45.8175.4-490000111.2F27 F379 L384 W385 A390 V391F27-T387 HydrophobicContact CD1-CG2 4.25Å; F379-T387 HydrophobicContact CD2-CG2 4.01Å; L384-T387 PolarHBondContact O-N 2.98Å; W385-T387 PolarHBondContact O-N 3.34Å; T387-A390 PolarHBondContact O-N 2.98Å; T387-V391 WeakPolarHBondContact O-CG2 3.46Å; T387-V391 PolarHBondContact O-N 2.99Å
388Y89Confident84.6Confident32 Ų3234.9 Ų34.913%0.12516%0.161CC..Hα-helixtrans-59.2-52.6178.9166.9-97.8000111.6L31 H65 L384 W385 A390 V391 I392L31-Y388 HydrophobicContact CD1-CD2 4.07Å; L31-Y388 HydrophobicContact CD1-CE2 4.26Å; L31-Y388 HydrophobicContact CD2-CD2 3.49Å; L31-Y388 VanDerWaalsContact CD2-CD2 3.49Å; L31-Y388 HydrophobicContact CD2-CE2 4.27Å; L31-Y388 HydrophobicContact CD2-CG 4.27Å; L31-Y388 HydrophobicContact CG-CD2 4.43Å; H65-Y388 WeakPolarHBondContact CB-OH 3.34Å; H65-Y388 AromaticContact CE1-CE1 3.81Å; H65-Y388 AromaticContact ND1-CE1 3.21Å; H65-Y388 WeakPolarHBondContact ND1-CE1 3.48Å; H65-Y388 AromaticContact ND1-CZ 3.47Å; H65-Y388 PolarHBondContact ND1-OH 2.92Å; L384-Y388 PolarHBondContact O-N 2.86Å; W385-Y388 HydrophobicContact CD2-CD1 4.25Å; W385-Y388 AromaticContact CE3-CD1 3.71Å; W385-Y388 HydrophobicContact CE3-CD1 3.71Å; W385-Y388 HydrophobicContact CE3-CE1 4.13Å; W385-Y388 HydrophobicContact CH2-CD1 4.02Å; W385-Y388 AromaticContact CH2-CE1 3.69Å; W385-Y388 HydrophobicContact CH2-CE1 3.69Å; W385-Y388 HydrophobicContact CZ2-CE1 4.44Å; W385-Y388 AromaticContact CZ3-CD1 3.58Å; W385-Y388 HydrophobicContact CZ3-CD1 3.58Å; W385-Y388 AromaticContact CZ3-CE1 3.5Å; W385-Y388 HydrophobicContact CZ3-CE1 3.5Å; W385-Y388 VanDerWaalsContact CZ3-CE1 3.5Å; W385-Y388 PolarHBondContact O-N 3.38Å; Y388-A390 VanDerWaalsContact C-N 3.32Å; Y388-A390 PolarHBondContact O-N 3.45Å; Y388-V391 PolarHBondContact O-N 3.11Å; Y388-I392 HydrophobicContact CD2-CG1 4.2Å; Y388-I392 HydrophobicContact CE1-CG1 4.18Å; Y388-I392 HydrophobicContact CE2-CD1 4.06Å; Y388-I392 HydrophobicContact CE2-CG1 3.76Å; Y388-I392 WeakPolarHBondContact O-CG1 3.43Å; Y388-I392 PolarHBondContact O-N 2.68Å
389E86.6Confident84.9Confident6 Ų633 Ų333%0.02815%0.154CC..Hα-helixtrans-62.8-40.7179.8-171.8-174.1-158.200111.1Q281 W385 V391 I392 T393Q281-E389 WeakPolarHBondContact CG-OE2 3.33Å; Q281-E389 PolarHBondContact NE2-OE1 3.24Å; Q281-E389 PolarHBondContact NE2-OE2 3.16Å; W385-E389 WeakPolarHBondContact O-CB 3.44Å; W385-E389 PolarHBondContact O-N 3.26Å; E389-V391 VanDerWaalsContact C-N 3.33Å; E389-V391 PolarHBondContact O-N 3.33Å; E389-I392 PolarHBondContact O-N 3.18Å; E389-T393 HydrophobicContact CG-CG2 3.91Å; E389-T393 WeakPolarHBondContact O-CB 3.23Å; E389-T393 WeakPolarHBondContact O-CG2 3.31Å; E389-T393 PolarHBondContact O-N 2.88Å; E389-T393 PolarHBondContact O-OG1 3.41Å
390A86.7Confident85.2Confident0 Ų032.8 Ų32.80%016%0.155CC..Hα-helixtrans-61.3-39.7176.900000112.5W372 F379 M386 T387 Y388 G394W372-A390 PolarHBondContact NE1-O 3.43Å; F379-A390 HydrophobicContact CE1-CB 4.15Å; F379-A390 HydrophobicContact CE2-CB 3.98Å; F379-A390 HydrophobicContact CZ-CB 3.43Å; F379-A390 VanDerWaalsContact CZ-CB 3.43Å; M386-A390 WeakPolarHBondContact O-CB 3.47Å; M386-A390 PolarHBondContact O-N 3.28Å; T387-A390 PolarHBondContact O-N 2.98Å; Y388-A390 VanDerWaalsContact C-N 3.32Å; Y388-A390 PolarHBondContact O-N 3.45Å; A390-G394 WeakPolarHBondContact O-CA 3.41Å; A390-G394 PolarHBondContact O-N 3.22Å
391V86.6Confident85.7Confident13 Ų1332.5 Ų32.58%0.07915%0.154CC..Hα-helixtrans-68.4-50.4175.4171.60000110.5L31 L32 T387 Y388 E389 F395L31-V391 HydrophobicContact CD2-CB 3.94Å; L31-V391 HydrophobicContact CD2-CG1 3.95Å; L31-V391 HydrophobicContact CD2-CG2 4.42Å; L31-V391 HydrophobicContact CG-CG1 4.27Å; L32-V391 HydrophobicContact CB-CG1 4.03Å; L32-V391 HydrophobicContact CD1-CG1 4.22Å; T387-V391 WeakPolarHBondContact O-CG2 3.46Å; T387-V391 PolarHBondContact O-N 2.99Å; Y388-V391 PolarHBondContact O-N 3.11Å; E389-V391 VanDerWaalsContact C-N 3.33Å; E389-V391 PolarHBondContact O-N 3.33Å; V391-F395 HydrophobicContact CG1-CD2 4.21Å; V391-F395 WeakPolarHBondContact O-CB 3.27Å; V391-F395 WeakPolarHBondContact O-CD2 3.36Å; V391-F395 PolarHBondContact O-N 3.23Å
392I85.6Confident86Confident14 Ų1430.5 Ų30.57%0.07215%0.153CC..Hα-helixtrans-59-56.3-179.5-64.1-65.7000110.7I35 Y388 E389 G394 F396I35-I392 HydrophobicContact CD1-CD1 3.4Å; I35-I392 VanDerWaalsContact CD1-CD1 3.4Å; Y388-I392 HydrophobicContact CD2-CG1 4.2Å; Y388-I392 HydrophobicContact CE1-CG1 4.18Å; Y388-I392 HydrophobicContact CE2-CD1 4.06Å; Y388-I392 HydrophobicContact CE2-CG1 3.76Å; Y388-I392 WeakPolarHBondContact O-CG1 3.43Å; Y388-I392 PolarHBondContact O-N 2.68Å; E389-I392 PolarHBondContact O-N 3.18Å; I392-G394 PolarHBondContact O-N 3.18Å; I392-F396 WeakPolarHBondContact O-CB 3.32Å; I392-F396 PolarHBondContact O-N 3.46Å
393T84Confident86Confident44 Ų4430.4 Ų30.427%0.2716%0.155SC..Hα-helixtrans-71-30.2-174.7590000113.2Y368 E389 P397Y368-T393 PolarHBondContact OH-OG1 2.97Å; E389-T393 HydrophobicContact CG-CG2 3.91Å; E389-T393 WeakPolarHBondContact O-CB 3.23Å; E389-T393 WeakPolarHBondContact O-CG2 3.31Å; E389-T393 PolarHBondContact O-N 2.88Å; E389-T393 PolarHBondContact O-OG1 3.41Å; T393-P397 WeakPolarHBondContact O-CD 3.36Å
394G85.1Confident86Confident2 Ų226 Ų262%0.02113%0.134CC..Hα-helixtrans-70.1-45.7176.700000112.6A390 I392 F398A390-G394 WeakPolarHBondContact O-CA 3.41Å; A390-G394 PolarHBondContact O-N 3.22Å; I392-G394 PolarHBondContact O-N 3.18Å; G394-F398 WeakPolarHBondContact O-CD2 3.22Å; G394-F398 VanDerWaalsContact O-CE2 3.29Å; G394-F398 WeakPolarHBondContact O-CE2 3.44Å
395F85.8Confident85.9Confident62 Ų6225.1 Ų25.127%0.27213%0.13SC..Hα-helixtrans-93-22.5-174-71.4-85.4000114.4L32 W372 V391 P397 F398 F399L32-F395 HydrophobicContact CD1-CB 4.16Å; L32-F395 HydrophobicContact CD1-CD1 3.78Å; L32-F395 HydrophobicContact CD1-CD2 3.6Å; L32-F395 HydrophobicContact CD1-CE1 4.01Å; L32-F395 HydrophobicContact CD1-CE2 3.84Å; L32-F395 HydrophobicContact CD1-CG 3.56Å; L32-F395 HydrophobicContact CD1-CZ 4.04Å; L32-F395 HydrophobicContact CD2-CD2 4.39Å; L32-F395 HydrophobicContact CD2-CE1 3.99Å; L32-F395 HydrophobicContact CD2-CE2 3.76Å; L32-F395 HydrophobicContact CD2-CZ 3.53Å; L32-F395 HydrophobicContact CG-CE2 4.41Å; L32-F395 HydrophobicContact CG-CZ 4.45Å; W372-F395 HydrophobicContact CH2-CE2 4.11Å; W372-F395 HydrophobicContact CH2-CZ 4.33Å; W372-F395 HydrophobicContact CZ2-CE2 4.02Å; V391-F395 HydrophobicContact CG1-CD2 4.21Å; V391-F395 WeakPolarHBondContact O-CB 3.27Å; V391-F395 WeakPolarHBondContact O-CD2 3.36Å; V391-F395 PolarHBondContact O-N 3.23Å; F395-P397 VanDerWaalsContact C-CD 3.45Å; F395-F398 WeakPolarHBondContact O-CB 3.16Å; F395-F398 PolarHBondContact O-N 3.33Å; F395-F399 HydrophobicContact CB-CD2 4.24Å; F395-F399 HydrophobicContact CB-CE2 3.8Å; F395-F399 VanDerWaalsContact O-CD2 3.28Å; F395-F399 WeakPolarHBondContact O-CD2 3.46Å; F395-F399 PolarHBondContact O-N 3.47Å
396F85.2Confident85.8Confident52 Ų5228.9 Ų28.923%0.22815%0.148CC..Hα-helixtrans-50.1-44.2178.9175.5-101.3000115Y58 L62 I392 F398 F399 L400 Y453Y58-F396 WeakPolarHBondContact OH-CD2 3.49Å; L62-F396 HydrophobicContact CD1-CD2 4.24Å; L62-F396 HydrophobicContact CD1-CE2 3.61Å; L62-F396 HydrophobicContact CD2-CD2 3.64Å; L62-F396 HydrophobicContact CD2-CE2 3.66Å; L62-F396 HydrophobicContact CG-CE2 4.29Å; I392-F396 WeakPolarHBondContact O-CB 3.32Å; I392-F396 PolarHBondContact O-N 3.46Å; F396-F398 VanDerWaalsContact C-N 3.27Å; F396-F398 PolarHBondContact O-N 3.15Å; F396-F399 PolarHBondContact O-N 2.96Å; F396-L400 HydrophobicContact CD1-CD1 3.96Å; F396-L400 HydrophobicContact CD1-CG 4.46Å; F396-L400 HydrophobicContact CD2-CG 4.49Å; F396-L400 HydrophobicContact CE1-CD1 3.25Å; F396-L400 HydrophobicContact CE1-CG 4.04Å; F396-L400 HydrophobicContact CE2-CD1 4.06Å; F396-L400 HydrophobicContact CE2-CD2 4.31Å; F396-L400 HydrophobicContact CE2-CG 4.02Å; F396-L400 HydrophobicContact CZ-CD1 3.32Å; F396-L400 HydrophobicContact CZ-CD2 4.19Å; F396-L400 HydrophobicContact CZ-CG 3.8Å; F396-L400 PolarHBondContact O-N 3.17Å; F396-L400 VanDerWaalsContact O-N 3.08Å; F396-Y453 HydrophobicContact CE1-CE1 4.27Å
397P87.4Confident85.5Confident2 Ų230.7 Ų30.71%0.01316%0.158CC..Hα-helixtrans-59.2-35.7177.4-24.135000113.6T393 F395 I401 L458 K461T393-P397 WeakPolarHBondContact O-CD 3.36Å; F395-P397 VanDerWaalsContact C-CD 3.45Å; P397-I401 WeakPolarHBondContact O-CB 3.38Å; P397-I401 WeakPolarHBondContact O-CD1 3.21Å; P397-I401 VanDerWaalsContact O-CG1 3.25Å; P397-I401 WeakPolarHBondContact O-CG1 3.39Å; P397-I401 PolarHBondContact O-N 3.29Å; P397-L458 HydrophobicContact CB-CD2 3.92Å; P397-K461 HydrophobicContact CB-CD 4.22Å; P397-K461 HydrophobicContact CG-CD 4.01Å
398F87.8Confident85.2Confident80 Ų8031.7 Ų31.735%0.35116%0.162SC..Hα-helixtrans-71.2-43.8-178.9-60.2-88000111.4G394 F395 F396 L400 I401 A402 M462 I465G394-F398 WeakPolarHBondContact O-CD2 3.22Å; G394-F398 VanDerWaalsContact O-CE2 3.29Å; G394-F398 WeakPolarHBondContact O-CE2 3.44Å; F395-F398 WeakPolarHBondContact O-CB 3.16Å; F395-F398 PolarHBondContact O-N 3.33Å; F396-F398 VanDerWaalsContact C-N 3.27Å; F396-F398 PolarHBondContact O-N 3.15Å; F398-L400 VanDerWaalsContact C-N 3.35Å; F398-L400 PolarHBondContact O-N 3.04Å; F398-I401 PolarHBondContact O-N 3.07Å; F398-A402 WeakPolarHBondContact O-CB 3.29Å; F398-A402 PolarHBondContact O-N 2.99Å; F398-M462 HydrophobicContact CD1-CE 3.95Å; F398-M462 HydrophobicContact CD1-SD 4.02Å; F398-M462 HydrophobicContact CE1-CE 3.72Å; F398-M462 HydrophobicContact CE1-SD 3.87Å; F398-I465 HydrophobicContact CE1-CD1 4.01Å; F398-I465 HydrophobicContact CE2-CD1 4.42Å; F398-I465 HydrophobicContact CZ-CD1 3.51Å
399F85.2Confident84.7Confident23 Ų2333.5 Ų33.510%0.10117%0.17CC..Hα-helixtrans-60.4-44.7175.1-70-63.8000111.6I35 Y39 Y58 F395 F396 I401 A402 T403I35-F399 HydrophobicContact CG2-CE2 3.93Å; I35-F399 HydrophobicContact CG2-CZ 4.11Å; Y39-F399 AromaticContact CD1-CD1 3.74Å; Y39-F399 HydrophobicContact CD1-CD1 3.74Å; Y39-F399 AromaticContact CD1-CE1 3.93Å; Y39-F399 HydrophobicContact CD1-CE1 3.93Å; Y39-F399 HydrophobicContact CD2-CB 4.48Å; Y39-F399 AromaticContact CD2-CD1 3.75Å; Y39-F399 HydrophobicContact CD2-CD1 3.75Å; Y39-F399 HydrophobicContact CD2-CE1 4.43Å; Y39-F399 HydrophobicContact CD2-CG 4.43Å; Y39-F399 HydrophobicContact CE1-CD1 4.09Å; Y39-F399 HydrophobicContact CE2-CB 4.34Å; Y39-F399 HydrophobicContact CE2-CD1 4.09Å; Y39-F399 AromaticContact CG-CD1 3.57Å; Y39-F399 HydrophobicContact CG-CD1 3.57Å; Y39-F399 AromaticContact CG-CE1 3.83Å; Y39-F399 HydrophobicContact CG-CE1 3.83Å; Y58-F399 HydrophobicContact CE1-CB 4.46Å; Y58-F399 HydrophobicContact CE2-CB 4.37Å; Y58-F399 HydrophobicContact CE2-CD2 4.08Å; Y58-F399 HydrophobicContact CE2-CG 4.22Å; Y58-F399 WeakPolarHBondContact OH-CB 3.21Å; F395-F399 HydrophobicContact CB-CD2 4.24Å; F395-F399 HydrophobicContact CB-CE2 3.8Å; F395-F399 VanDerWaalsContact O-CD2 3.28Å; F395-F399 WeakPolarHBondContact O-CD2 3.46Å; F395-F399 PolarHBondContact O-N 3.47Å; F396-F399 PolarHBondContact O-N 2.96Å; F399-I401 PolarHBondContact O-N 3.41Å; F399-A402 PolarHBondContact O-N 3.06Å; F399-T403 WeakPolarHBondContact O-CB 3.37Å; F399-T403 PolarHBondContact O-N 2.99Å; F399-T403 PolarHBondContact O-OG1 2.65Å
400L84.3Confident84.1Confident19 Ų1940.1 Ų40.110%0.09920%0.201CC..Hα-helixtrans-61.8-42.1176.7-78.5-174.4000112.9F396 F398 T403 A404 Y453 M454 L458F396-L400 HydrophobicContact CD1-CD1 3.96Å; F396-L400 HydrophobicContact CD1-CG 4.46Å; F396-L400 HydrophobicContact CD2-CG 4.49Å; F396-L400 HydrophobicContact CE1-CD1 3.25Å; F396-L400 HydrophobicContact CE1-CG 4.04Å; F396-L400 HydrophobicContact CE2-CD1 4.06Å; F396-L400 HydrophobicContact CE2-CD2 4.31Å; F396-L400 HydrophobicContact CE2-CG 4.02Å; F396-L400 HydrophobicContact CZ-CD1 3.32Å; F396-L400 HydrophobicContact CZ-CD2 4.19Å; F396-L400 HydrophobicContact CZ-CG 3.8Å; F396-L400 PolarHBondContact O-N 3.17Å; F396-L400 VanDerWaalsContact O-N 3.08Å; F398-L400 VanDerWaalsContact C-N 3.35Å; F398-L400 PolarHBondContact O-N 3.04Å; L400-T403 PolarHBondContact O-N 3.02Å; L400-A404 WeakPolarHBondContact O-CB 3.41Å; L400-A404 PolarHBondContact O-N 2.89Å; L400-Y453 HydrophobicContact CD1-CE1 3.96Å; L400-M454 HydrophobicContact CD1-SD 4.22Å; L400-L458 HydrophobicContact CB-CD1 4.27Å; L400-L458 HydrophobicContact CD1-CD1 4.46Å; L400-L458 HydrophobicContact CD1-CD2 4.49Å
401I86.8Confident83.2Confident20 Ų2040.5 Ų40.510%0.10321%0.205CC..Hα-helixtrans-65.5-46.1178.1-73.9169.2000110.6P397 F398 F399 T403 A404 I405 L458 M462 W494P397-I401 WeakPolarHBondContact O-CB 3.38Å; P397-I401 WeakPolarHBondContact O-CD1 3.21Å; P397-I401 VanDerWaalsContact O-CG1 3.25Å; P397-I401 WeakPolarHBondContact O-CG1 3.39Å; P397-I401 PolarHBondContact O-N 3.29Å; F398-I401 PolarHBondContact O-N 3.07Å; F399-I401 PolarHBondContact O-N 3.41Å; I401-T403 VanDerWaalsContact C-N 3.33Å; I401-T403 PolarHBondContact O-N 3.08Å; I401-A404 PolarHBondContact O-N 2.99Å; I401-I405 HydrophobicContact CG2-CD1 3.8Å; I401-I405 WeakPolarHBondContact O-CG1 3.19Å; I401-I405 PolarHBondContact O-N 3.24Å; I401-L458 HydrophobicContact CD1-CB 4.34Å; I401-L458 HydrophobicContact CD1-CD2 4.48Å; I401-L458 HydrophobicContact CG1-CB 4.33Å; I401-L458 HydrophobicContact CG1-CD1 4.25Å; I401-L458 HydrophobicContact CG1-CD2 4.39Å; I401-M462 HydrophobicContact CD1-CG 3.28Å; I401-M462 HydrophobicContact CD1-SD 3.6Å; I401-M462 VanDerWaalsContact CD1-SD 3.6Å; I401-W494 HydrophobicContact CB-CH2 4.43Å; I401-W494 HydrophobicContact CG1-CH2 4.07Å; I401-W494 HydrophobicContact CG1-CZ3 4.23Å; I401-W494 HydrophobicContact CG2-CH2 4.29Å; I401-W494 HydrophobicContact CG2-CZ3 3.95Å
402A85.5Confident82.8Confident43 Ų4346.2 Ų46.236%0.35523%0.225SC..Hα-helixtrans-60-44.5176.900000111.2F398 F399 I405 Q406F398-A402 WeakPolarHBondContact O-CB 3.29Å; F398-A402 PolarHBondContact O-N 2.99Å; F399-A402 PolarHBondContact O-N 3.06Å; A402-I405 PolarHBondContact O-N 2.97Å; A402-Q406 WeakPolarHBondContact O-CB 3.28Å; A402-Q406 PolarHBondContact O-N 3.26Å
403T83.4Confident82.4Confident27 Ų2747.5 Ų47.517%0.16623%0.232CC..Hα-helixtrans-61.6-46.7176.1-58.60000111.1Y39 F399 L400 I401 Q406 L407 F419Y39-T403 VanDerWaalsContact CE2-OG1 3.26Å; Y39-T403 WeakPolarHBondContact CE2-OG1 3.46Å; Y39-T403 PolarHBondContact OH-N 3.47Å; Y39-T403 PolarHBondContact OH-OG1 3.19Å; F399-T403 WeakPolarHBondContact O-CB 3.37Å; F399-T403 PolarHBondContact O-N 2.99Å; F399-T403 PolarHBondContact O-OG1 2.65Å; L400-T403 PolarHBondContact O-N 3.02Å; I401-T403 VanDerWaalsContact C-N 3.33Å; I401-T403 PolarHBondContact O-N 3.08Å; T403-Q406 PolarHBondContact O-N 3.08Å; T403-L407 HydrophobicContact CG2-CD1 3.79Å; T403-L407 HydrophobicContact CG2-CG 4.22Å; T403-L407 WeakPolarHBondContact O-CB 3.4Å; T403-L407 VanDerWaalsContact O-CG 3.24Å; T403-L407 WeakPolarHBondContact O-CG 3.34Å; T403-L407 PolarHBondContact O-N 3.37Å; T403-F419 HydrophobicContact CG2-CD2 4.16Å; T403-F419 HydrophobicContact CG2-CE2 3.93Å
404A84.6Confident82.1Confident3 Ų346.7 Ų46.73%0.02522%0.224CC..Hα-helixtrans-60.7-48.6179.500000111.3L400 I401 L407 F408 F419 W494L400-A404 WeakPolarHBondContact O-CB 3.41Å; L400-A404 PolarHBondContact O-N 2.89Å; I401-A404 PolarHBondContact O-N 2.99Å; A404-L407 PolarHBondContact O-N 3.23Å; A404-F408 WeakPolarHBondContact O-CB 3.38Å; A404-F408 WeakPolarHBondContact O-CD2 3.31Å; A404-F408 PolarHBondContact O-N 2.98Å; A404-F419 HydrophobicContact CB-CE1 4.47Å; A404-F419 HydrophobicContact CB-CZ 4.49Å; A404-W494 HydrophobicContact CB-CH2 3.99Å; A404-W494 HydrophobicContact CB-CZ2 4.32Å
405I85.6Confident81.8Confident62 Ų6249.1 Ų49.132%0.31824%0.236SC..Hα-helixtrans-63.8-45.4178.3-65.2170.5000110.6I401 A402 L407 F408 F409 W494 I497I401-I405 HydrophobicContact CG2-CD1 3.8Å; I401-I405 WeakPolarHBondContact O-CG1 3.19Å; I401-I405 PolarHBondContact O-N 3.24Å; A402-I405 PolarHBondContact O-N 2.97Å; I405-L407 VanDerWaalsContact C-N 3.34Å; I405-L407 PolarHBondContact O-N 2.96Å; I405-F408 PolarHBondContact O-N 3.38Å; I405-F409 HydrophobicContact CG2-CD2 3.98Å; I405-F409 HydrophobicContact CG2-CE2 4.29Å; I405-F409 WeakPolarHBondContact O-CD2 3.3Å; I405-F409 PolarHBondContact O-N 3.47Å; I405-F409 VanDerWaalsContact O-N 3.08Å; I405-W494 HydrophobicContact CD1-CZ3 4.38Å; I405-W494 HydrophobicContact CG1-CZ3 4.31Å; I405-I497 HydrophobicContact CG1-CG2 4.49Å
406Q82.8Confident81.4Confident98 Ų9846.6 Ų46.646%0.45823%0.226SC..Hα-helixtrans-59.4-45179.4-173.1179.60.400111.8A402 T403 F408 F409 Q410A402-Q406 WeakPolarHBondContact O-CB 3.28Å; A402-Q406 PolarHBondContact O-N 3.26Å; T403-Q406 PolarHBondContact O-N 3.08Å; Q406-F408 PolarHBondContact O-N 2.91Å; Q406-F409 PolarHBondContact O-N 2.92Å; Q406-Q410 WeakPolarHBondContact O-CA 3.44Å; Q406-Q410 WeakPolarHBondContact O-CB 3.22Å; Q406-Q410 PolarHBondContact O-N 3.26Å
407L80.3Confident81.3Confident39 Ų3945.3 Ų45.320%0.20422%0.221CC..Hα-helixtrans-67.4-35.9179.4-70.7178.6000112.8T403 A404 I405 G411 N415 F419T403-L407 HydrophobicContact CG2-CD1 3.79Å; T403-L407 HydrophobicContact CG2-CG 4.22Å; T403-L407 WeakPolarHBondContact O-CB 3.4Å; T403-L407 VanDerWaalsContact O-CG 3.24Å; T403-L407 WeakPolarHBondContact O-CG 3.34Å; T403-L407 PolarHBondContact O-N 3.37Å; A404-L407 PolarHBondContact O-N 3.23Å; I405-L407 VanDerWaalsContact C-N 3.34Å; I405-L407 PolarHBondContact O-N 2.96Å; L407-G411 WeakPolarHBondContact O-CA 3.43Å; L407-G411 PolarHBondContact O-N 3.25Å; L407-N415 HydrophobicContact CD2-CB 4.02Å; L407-F419 HydrophobicContact CD1-CB 3.56Å; L407-F419 HydrophobicContact CD1-CD1 4.45Å; L407-F419 HydrophobicContact CD1-CD2 3.74Å; L407-F419 HydrophobicContact CD1-CG 3.67Å
408F80.8Confident80.9Confident25 Ų2546 Ų4611%0.1123%0.225CC..Hα-helixtrans-76.6-19.1179-87.1-107.4000113.9A404 I405 Q406 I416 L498 G501 L502 T505A404-F408 WeakPolarHBondContact O-CB 3.38Å; A404-F408 WeakPolarHBondContact O-CD2 3.31Å; A404-F408 PolarHBondContact O-N 2.98Å; I405-F408 PolarHBondContact O-N 3.38Å; Q406-F408 PolarHBondContact O-N 2.91Å; F408-I416 HydrophobicContact CD1-CD1 4.23Å; F408-I416 HydrophobicContact CD2-CD1 4.46Å; F408-I416 HydrophobicContact CD2-CG1 4.28Å; F408-I416 HydrophobicContact CD2-CG2 4.32Å; F408-I416 HydrophobicContact CE1-CG2 4.22Å; F408-I416 HydrophobicContact CE2-CG1 4.49Å; F408-I416 HydrophobicContact CE2-CG2 3.7Å; F408-I416 HydrophobicContact CG-CD1 4.23Å; F408-I416 HydrophobicContact CZ-CG2 3.65Å; F408-L498 HydrophobicContact CB-CD2 4.33Å; F408-L498 HydrophobicContact CD1-CB 4.12Å; F408-L498 HydrophobicContact CD1-CD2 3.98Å; F408-L498 VanDerWaalsContact CD1-O 3.24Å; F408-L498 WeakPolarHBondContact CD1-O 3.48Å; F408-L498 HydrophobicContact CD2-CD2 3.89Å; F408-L498 HydrophobicContact CE1-CB 4.01Å; F408-L498 HydrophobicContact CE1-CD2 4.18Å; F408-L498 HydrophobicContact CE2-CD2 4.07Å; F408-L498 HydrophobicContact CG-CD2 3.8Å; F408-L498 HydrophobicContact CZ-CD2 4.21Å; F408-G501 CarbonylContact O-C 3.54Å; F408-G501 VanDerWaalsContact O-CA 3.25Å; F408-G501 WeakPolarHBondContact O-CA 3.18Å; F408-L502 HydrophobicContact CD1-CB 4.26Å; F408-L502 HydrophobicContact CE1-CB 4.36Å; F408-T505 PolarHBondContact O-OG1 3.28Å
409F78.9Confident80.6Confident70 Ų7043.3 Ų43.331%0.30721%0.213SC..Hα-helixtrans-109.6-26.7179.5-78.8-95.9000113.9I405 Q406 I497 I500 Y504I405-F409 HydrophobicContact CG2-CD2 3.98Å; I405-F409 HydrophobicContact CG2-CE2 4.29Å; I405-F409 WeakPolarHBondContact O-CD2 3.3Å; I405-F409 PolarHBondContact O-N 3.47Å; I405-F409 VanDerWaalsContact O-N 3.08Å; Q406-F409 PolarHBondContact O-N 2.92Å; F409-I497 HydrophobicContact CE2-CG2 3.92Å; F409-I497 HydrophobicContact CZ-CG2 4.33Å; F409-I500 HydrophobicContact CE1-CG2 4.36Å; F409-I500 HydrophobicContact CZ-CG2 4.35Å; F409-Y504 VanDerWaalsContact O-CE1 3.28Å; F409-Y504 WeakPolarHBondContact O-CE1 3.49Å
410Q73.6Confident80.5Confident145 Ų14545 Ų4568%0.67822%0.222SC*.Hα-helixtrans-118.8-14-177-58.6177.5-7.700113Q406Q406-Q410 WeakPolarHBondContact O-CA 3.44Å; Q406-Q410 WeakPolarHBondContact O-CB 3.22Å; Q406-Q410 PolarHBondContact O-N 3.26Å
411G68.4Low80.4Confident7 Ų745.6 Ų45.67%0.07223%0.226CC..SBendtrans-83.6165.6-178.100000113.7L407 T505L407-G411 WeakPolarHBondContact O-CA 3.43Å; L407-G411 PolarHBondContact O-N 3.25Å; G411-T505 WeakPolarHBondContact O-CG2 3.13Å
412R76.6Confident80.2Confident133 Ų13348.1 Ų48.150%0.50224%0.238SC..  trans-81.8159.2165.4-66.1-176.4-175.2164.45.2110W414 N415 I416 E518R412-W414 PolarHBondContact O-N 3.41Å; R412-W414 VanDerWaalsContact O-N 3.15Å; R412-N415 PolarHBondContact N-ND2 3.48Å; R412-N415 WeakPolarHBondContact O-CB 3.4Å; R412-N415 PolarHBondContact O-N 3.09Å; R412-I416 PolarHBondContact O-N 3.18Å; R412-E518 IonicContact CZ-OE1 3.88Å; R412-E518 IonicContact NH1-OE1 3.2Å; R412-E518 PolarHBondContact NH1-OE1 2.61Å
413L78.1Confident80.1Confident42 Ų4247.6 Ų47.622%0.2223%0.231CC..Hα-helixtrans-50.8-38.1171.9-80.6165.8000112.9N415 I416 L417 L502 T505 I506 Q509 L522L413-N415 VanDerWaalsContact C-N 3.33Å; L413-N415 PolarHBondContact O-N 3.31Å; L413-I416 PolarHBondContact O-N 3.46Å; L413-L417 PolarHBondContact O-N 3.31Å; L413-L502 HydrophobicContact CD2-CD1 3.96Å; L413-T505 HydrophobicContact CG-CG2 4.36Å; L413-I506 HydrophobicContact CD1-CG1 4.29Å; L413-I506 HydrophobicContact CD2-CG1 4.02Å; L413-I506 HydrophobicContact CG-CG1 4.49Å; L413-Q509 VanDerWaalsContact CB-OE1 3.31Å; L413-Q509 VanDerWaalsContact CD1-OE1 3.27Å; L413-L522 HydrophobicContact CB-CD1 3.69Å
414W78.8Confident80.1Confident27 Ų2746.8 Ų46.810%0.10223%0.225CC..Hα-helixtrans-59.2-41.2173.7173-113.1000112.9Y52 R412 I416 L417 L418 V521Y52-W414 AromaticContact CD1-CD1 3.95Å; Y52-W414 AromaticContact CD1-NE1 3.88Å; Y52-W414 PolarHBondContact O-NE1 3.35Å; R412-W414 PolarHBondContact O-N 3.41Å; R412-W414 VanDerWaalsContact O-N 3.15Å; W414-I416 VanDerWaalsContact C-N 3.3Å; W414-I416 PolarHBondContact O-N 3.05Å; W414-L417 HydrophobicContact CE3-CB 4.47Å; W414-L417 HydrophobicContact CE3-CD2 4.03Å; W414-L417 HydrophobicContact CE3-CG 4.5Å; W414-L417 HydrophobicContact CZ3-CD2 3.98Å; W414-L417 HydrophobicContact CZ3-CG 4.4Å; W414-L417 PolarHBondContact O-N 2.87Å; W414-L418 HydrophobicContact CZ2-CB 4.29Å; W414-L418 HydrophobicContact CZ2-CD1 3.93Å; W414-L418 VanDerWaalsContact O-CB 3.22Å; W414-L418 WeakPolarHBondContact O-CB 3.24Å; W414-L418 PolarHBondContact O-N 3.13Å; W414-V521 HydrophobicContact CD2-CG1 3.69Å; W414-V521 HydrophobicContact CE3-CG1 3.6Å; W414-V521 HydrophobicContact CH2-CG1 3.35Å; W414-V521 HydrophobicContact CZ2-CG1 3.43Å; W414-V521 VanDerWaalsContact CZ2-CG1 3.43Å; W414-V521 HydrophobicContact CZ3-CG1 3.44Å; W414-V521 VanDerWaalsContact CZ3-CG1 3.44Å; W414-V521 VanDerWaalsContact CZ3-O 3.28Å; W414-V521 WeakPolarHBondContact CZ3-O 3.23Å
415N77.2Confident80.1Confident52 Ų5249 Ų4928%0.27824%0.243SC..Hα-helixtrans-67.3-35.3-178.3-59.5-13.4000111.5L407 R412 L413 F419L407-N415 HydrophobicContact CD2-CB 4.02Å; R412-N415 PolarHBondContact N-ND2 3.48Å; R412-N415 WeakPolarHBondContact O-CB 3.4Å; R412-N415 PolarHBondContact O-N 3.09Å; L413-N415 VanDerWaalsContact C-N 3.33Å; L413-N415 PolarHBondContact O-N 3.31Å; N415-F419 VanDerWaalsContact O-CB 3.28Å; N415-F419 WeakPolarHBondContact O-CB 3.34Å; N415-F419 PolarHBondContact O-N 2.68Å
416I78.9Confident80Confident10 Ų1048.8 Ų48.85%0.05125%0.245CC..Hα-helixtrans-64.7-48.2174-60.8173000109.7F408 R412 L413 W414 F419 L420 L502 T505F408-I416 HydrophobicContact CD1-CD1 4.23Å; F408-I416 HydrophobicContact CD2-CD1 4.46Å; F408-I416 HydrophobicContact CD2-CG1 4.28Å; F408-I416 HydrophobicContact CD2-CG2 4.32Å; F408-I416 HydrophobicContact CE1-CG2 4.22Å; F408-I416 HydrophobicContact CE2-CG1 4.49Å; F408-I416 HydrophobicContact CE2-CG2 3.7Å; F408-I416 HydrophobicContact CG-CD1 4.23Å; F408-I416 HydrophobicContact CZ-CG2 3.65Å; R412-I416 PolarHBondContact O-N 3.18Å; L413-I416 PolarHBondContact O-N 3.46Å; W414-I416 VanDerWaalsContact C-N 3.3Å; W414-I416 PolarHBondContact O-N 3.05Å; I416-F419 PolarHBondContact O-N 3.45Å; I416-L420 WeakPolarHBondContact O-CG 3.33Å; I416-L420 PolarHBondContact O-N 2.93Å; I416-L502 HydrophobicContact CD1-CD1 4.21Å; I416-T505 HydrophobicContact CD1-CG2 4.42Å
417L81.4Confident80Confident24 Ų2444.8 Ų44.813%0.12623%0.228CC..Hα-helixtrans-63.6-44.3178.7-179.360.6000112.1L413 W414 F419 L420 L421 L522 A526 Y529L413-L417 PolarHBondContact O-N 3.31Å; W414-L417 HydrophobicContact CE3-CB 4.47Å; W414-L417 HydrophobicContact CE3-CD2 4.03Å; W414-L417 HydrophobicContact CE3-CG 4.5Å; W414-L417 HydrophobicContact CZ3-CD2 3.98Å; W414-L417 HydrophobicContact CZ3-CG 4.4Å; W414-L417 PolarHBondContact O-N 2.87Å; L417-F419 VanDerWaalsContact C-N 3.33Å; L417-F419 PolarHBondContact O-N 2.66Å; L417-L420 PolarHBondContact O-N 2.76Å; L417-L421 HydrophobicContact CG-CD1 4.16Å; L417-L421 WeakPolarHBondContact O-CB 3.26Å; L417-L421 WeakPolarHBondContact O-CG 3.44Å; L417-L421 PolarHBondContact O-N 2.74Å; L417-L522 HydrophobicContact CD2-CG 4.42Å; L417-A526 HydrophobicContact CD2-CB 4.42Å; L417-Y529 HydrophobicContact CD1-CG 4.42Å
418L80.2Confident80.3Confident18 Ų1845.8 Ų45.89%0.09423%0.234CC..Hα-helixtrans-59.7-43.2175.4179.968.1000111.2Y52 L53 W414 L421 I422Y52-L418 VanDerWaalsContact O-CD2 3.29Å; Y52-L418 WeakPolarHBondContact O-CD2 3.42Å; L53-L418 HydrophobicContact CD1-CD1 4.27Å; L53-L418 HydrophobicContact CG-CD1 4.46Å; W414-L418 HydrophobicContact CZ2-CB 4.29Å; W414-L418 HydrophobicContact CZ2-CD1 3.93Å; W414-L418 VanDerWaalsContact O-CB 3.22Å; W414-L418 WeakPolarHBondContact O-CB 3.24Å; W414-L418 PolarHBondContact O-N 3.13Å; L418-L421 PolarHBondContact O-N 2.84Å; L418-I422 HydrophobicContact CD1-CD1 4.16Å; L418-I422 HydrophobicContact CD1-CG1 4.36Å; L418-I422 HydrophobicContact CD2-CD1 4.41Å; L418-I422 HydrophobicContact CG-CD1 3.85Å; L418-I422 HydrophobicContact CG-CG1 4.42Å; L418-I422 WeakPolarHBondContact O-CB 3.38Å; L418-I422 VanDerWaalsContact O-CG1 3.27Å; L418-I422 WeakPolarHBondContact O-CG1 3.17Å; L418-I422 PolarHBondContact O-N 3.47Å
419F81.1Confident80.4Confident23 Ų2350.3 Ų50.310%0.10126%0.258CS..Hα-helixtrans-60.4-46175.7172-102.4000112T403 A404 L407 N415 I416 L417 L421 I422 V423 M454T403-F419 HydrophobicContact CG2-CD2 4.16Å; T403-F419 HydrophobicContact CG2-CE2 3.93Å; A404-F419 HydrophobicContact CB-CE1 4.47Å; A404-F419 HydrophobicContact CB-CZ 4.49Å; L407-F419 HydrophobicContact CD1-CB 3.56Å; L407-F419 HydrophobicContact CD1-CD1 4.45Å; L407-F419 HydrophobicContact CD1-CD2 3.74Å; L407-F419 HydrophobicContact CD1-CG 3.67Å; N415-F419 VanDerWaalsContact O-CB 3.28Å; N415-F419 WeakPolarHBondContact O-CB 3.34Å; N415-F419 PolarHBondContact O-N 2.68Å; I416-F419 PolarHBondContact O-N 3.45Å; L417-F419 VanDerWaalsContact C-N 3.33Å; L417-F419 PolarHBondContact O-N 2.66Å; F419-L421 VanDerWaalsContact C-N 3.34Å; F419-L421 PolarHBondContact O-N 2.78Å; F419-I422 PolarHBondContact O-N 3.25Å; F419-V423 HydrophobicContact CD2-CG2 4.36Å; F419-V423 HydrophobicContact CE1-CG2 4.18Å; F419-V423 HydrophobicContact CE2-CG2 3.97Å; F419-V423 HydrophobicContact CZ-CG2 3.88Å; F419-V423 WeakPolarHBondContact O-CG2 3.25Å; F419-V423 PolarHBondContact O-N 3.02Å; F419-M454 HydrophobicContact CE1-CE 3.84Å; F419-M454 HydrophobicContact CZ-CE 3.7Å
420L83Confident80.5Confident58 Ų5849.5 Ų49.530%0.30425%0.254SS..Hα-helixtrans-61.6-42.1175.8-66.8176.1000111.8I416 L417 V423 Q424 Y529I416-L420 WeakPolarHBondContact O-CG 3.33Å; I416-L420 PolarHBondContact O-N 2.93Å; L417-L420 PolarHBondContact O-N 2.76Å; L420-V423 PolarHBondContact O-N 3.49Å; L420-Q424 WeakPolarHBondContact O-CB 3.47Å; L420-Q424 VanDerWaalsContact O-CG 3.31Å; L420-Q424 WeakPolarHBondContact O-CG 3.43Å; L420-Q424 PolarHBondContact O-N 3.02Å; L420-Y529 HydrophobicContact CB-CD2 4.45Å; L420-Y529 HydrophobicContact CB-CE2 3.79Å; L420-Y529 HydrophobicContact CD1-CE2 4.49Å
421L83Confident80.9Confident32 Ų3242.6 Ų42.617%0.16822%0.222CC..Hα-helixtrans-63.2-42.2175.6-73.8169.5000112.1L417 L418 F419 Q424 A425 V528 Y529L417-L421 HydrophobicContact CG-CD1 4.16Å; L417-L421 WeakPolarHBondContact O-CB 3.26Å; L417-L421 WeakPolarHBondContact O-CG 3.44Å; L417-L421 PolarHBondContact O-N 2.74Å; L418-L421 PolarHBondContact O-N 2.84Å; F419-L421 VanDerWaalsContact C-N 3.34Å; F419-L421 PolarHBondContact O-N 2.78Å; L421-Q424 PolarHBondContact O-N 3.29Å; L421-A425 VanDerWaalsContact O-CB 3.29Å; L421-A425 WeakPolarHBondContact O-CB 3.47Å; L421-A425 PolarHBondContact O-N 2.84Å; L421-V528 HydrophobicContact CD2-CG1 4.08Å; L421-Y529 HydrophobicContact CD2-CD2 4.02Å; L421-Y529 HydrophobicContact CG-CD2 4.45Å
422I82.3Confident81.6Confident72 Ų7244.8 Ų44.837%0.36924%0.236SC..Hα-helixtrans-65-47177.4-71.4168.4000110.7L418 F419 Q424 A425 V426L418-I422 HydrophobicContact CD1-CD1 4.16Å; L418-I422 HydrophobicContact CD1-CG1 4.36Å; L418-I422 HydrophobicContact CD2-CD1 4.41Å; L418-I422 HydrophobicContact CG-CD1 3.85Å; L418-I422 HydrophobicContact CG-CG1 4.42Å; L418-I422 WeakPolarHBondContact O-CB 3.38Å; L418-I422 VanDerWaalsContact O-CG1 3.27Å; L418-I422 WeakPolarHBondContact O-CG1 3.17Å; L418-I422 PolarHBondContact O-N 3.47Å; F419-I422 PolarHBondContact O-N 3.25Å; I422-Q424 PolarHBondContact O-N 3Å; I422-A425 PolarHBondContact O-N 2.91Å; I422-V426 HydrophobicContact CG2-CG2 4.38Å; I422-V426 WeakPolarHBondContact O-CG2 3.28Å; I422-V426 PolarHBondContact O-N 3.4Å
423V82.8Confident81.7Confident33 Ų3342 Ų4220%0.223%0.228CC..Hα-helixtrans-57.3-43177.4169.50000110.3F419 L420 A427 M454F419-V423 HydrophobicContact CD2-CG2 4.36Å; F419-V423 HydrophobicContact CE1-CG2 4.18Å; F419-V423 HydrophobicContact CE2-CG2 3.97Å; F419-V423 HydrophobicContact CZ-CG2 3.88Å; F419-V423 WeakPolarHBondContact O-CG2 3.25Å; F419-V423 PolarHBondContact O-N 3.02Å; L420-V423 PolarHBondContact O-N 3.49Å; V423-A427 WeakPolarHBondContact O-CB 3.12Å; V423-A427 PolarHBondContact O-N 2.68Å; V423-M454 HydrophobicContact CG1-CG 4.12Å
424Q84.1Confident81.8Confident10 Ų1040 Ų405%0.04722%0.218CC..Hα-helixtrans-68-42.9176.1-73.8-177.1-7.300113.1L420 L421 I422 V426 A427 L428 Y529 Y532L420-Q424 WeakPolarHBondContact O-CB 3.47Å; L420-Q424 VanDerWaalsContact O-CG 3.31Å; L420-Q424 WeakPolarHBondContact O-CG 3.43Å; L420-Q424 PolarHBondContact O-N 3.02Å; L421-Q424 PolarHBondContact O-N 3.29Å; I422-Q424 PolarHBondContact O-N 3Å; Q424-V426 PolarHBondContact O-N 3.31Å; Q424-A427 CarbonylContact O-C 3.34Å; Q424-A427 WeakPolarHBondContact O-CB 3.4Å; Q424-A427 PolarHBondContact O-N 2.82Å; Q424-L428 WeakPolarHBondContact O-CB 3.01Å; Q424-L428 PolarHBondContact O-N 3.17Å; Q424-Y529 HydrophobicContact CG-CE2 4.38Å; Q424-Y529 VanDerWaalsContact NE2-CZ 3.3Å; Q424-Y529 PolarHBondContact NE2-OH 2.87Å; Q424-Y529 VanDerWaalsContact OE1-CD2 3.24Å; Q424-Y529 VanDerWaalsContact OE1-CE2 3.3Å; Q424-Y532 VanDerWaalsContact CD-CE1 3.45Å; Q424-Y532 HydrophobicContact CG-CE1 4.1Å
425A84.1Confident81.9Confident48 Ų4839.8 Ų39.840%0.39722%0.22SC..Hα-helixtrans-60.5-46.3178.200000111L421 I422 A427 L428 I429L421-A425 VanDerWaalsContact O-CB 3.29Å; L421-A425 WeakPolarHBondContact O-CB 3.47Å; L421-A425 PolarHBondContact O-N 2.84Å; I422-A425 PolarHBondContact O-N 2.91Å; A425-A427 VanDerWaalsContact C-N 3.32Å; A425-A427 PolarHBondContact O-N 3.34Å; A425-L428 PolarHBondContact O-N 3.39Å; A425-I429 VanDerWaalsContact O-CG1 3.26Å; A425-I429 WeakPolarHBondContact O-CG1 3.47Å; A425-I429 PolarHBondContact O-N 2.92Å
426V82.8Confident82Confident58 Ų5842.3 Ų42.335%0.35224%0.241SC..Hα-helixtrans-61-42.5174.7173.30000110.9L66 I422 Q424 L428 I429 K430L66-V426 HydrophobicContact CD1-CG1 4.22Å; I422-V426 HydrophobicContact CG2-CG2 4.38Å; I422-V426 WeakPolarHBondContact O-CG2 3.28Å; I422-V426 PolarHBondContact O-N 3.4Å; Q424-V426 PolarHBondContact O-N 3.31Å; V426-L428 VanDerWaalsContact C-N 3.32Å; V426-L428 PolarHBondContact O-N 2.86Å; V426-I429 PolarHBondContact O-N 3.25Å; V426-K430 WeakPolarHBondContact O-CB 3.36Å; V426-K430 PolarHBondContact O-N 2.9Å
427A84.2Confident81.7Confident14 Ų1444.1 Ų44.112%0.11625%0.25CS..Hα-helixtrans-64.3-37177.100000112.5V423 Q424 A425 S431V423-A427 WeakPolarHBondContact O-CB 3.12Å; V423-A427 PolarHBondContact O-N 2.68Å; Q424-A427 CarbonylContact O-C 3.34Å; Q424-A427 WeakPolarHBondContact O-CB 3.4Å; Q424-A427 PolarHBondContact O-N 2.82Å; A425-A427 VanDerWaalsContact C-N 3.32Å; A425-A427 PolarHBondContact O-N 3.34Å; A427-S431 VanDerWaalsContact O-CB 3.28Å; A427-S431 WeakPolarHBondContact O-CB 3.48Å; A427-S431 PolarHBondContact O-N 3.01Å; A427-S431 PolarHBondContact O-OG 3.44Å
428L85.6Confident81.5Confident61 Ų6147.7 Ų47.732%0.31926%0.262SS..Hα-helixtrans-72-38.5177.4-169.768000112Q424 A425 V426 S431 S432 V444 Y532Q424-L428 WeakPolarHBondContact O-CB 3.01Å; Q424-L428 PolarHBondContact O-N 3.17Å; A425-L428 PolarHBondContact O-N 3.39Å; V426-L428 VanDerWaalsContact C-N 3.32Å; V426-L428 PolarHBondContact O-N 2.86Å; L428-S431 WeakPolarHBondContact CA-OG 3.48Å; L428-S431 PolarHBondContact O-N 3.44Å; L428-S431 PolarHBondContact O-OG 3.03Å; L428-S432 VanDerWaalsContact O-CB 3.27Å; L428-S432 WeakPolarHBondContact O-CB 3.48Å; L428-S432 PolarHBondContact O-N 3.37Å; L428-S432 PolarHBondContact O-OG 3.35Å; L428-V444 HydrophobicContact CD1-CG1 4.28Å; L428-Y532 HydrophobicContact CD1-CE2 4.45Å
429I84Confident81.2Confident120 Ų12050.2 Ų50.262%0.61529%0.292SS*.Hα-helixtrans-61.4-48.7172.5-68.9163.9000109.3A425 V426 S431 S432 F433A425-I429 VanDerWaalsContact O-CG1 3.26Å; A425-I429 WeakPolarHBondContact O-CG1 3.47Å; A425-I429 PolarHBondContact O-N 2.92Å; V426-I429 PolarHBondContact O-N 3.25Å; I429-S431 VanDerWaalsContact C-N 3.33Å; I429-S431 PolarHBondContact O-N 3.14Å; I429-S432 PolarHBondContact O-N 2.76Å; I429-F433 WeakPolarHBondContact O-CB 3.47Å; I429-F433 PolarHBondContact O-N 3.14Å
430K80.9Confident81Confident52 Ų5252.1 Ų52.123%0.22630%0.304CS..Hα-helixtrans-61.3-41.1177.4-173.1173.5178.6172.70111.6L66 M272 E277 V426 A434L66-K430 HydrophobicContact CD2-CD 4.17Å; M272-K430 HydrophobicContact CE-CD 4.35Å; M272-K430 HydrophobicContact CE-CG 3.72Å; E277-K430 IonicContact OE1-NZ 3.97Å; V426-K430 WeakPolarHBondContact O-CB 3.36Å; V426-K430 PolarHBondContact O-N 2.9Å; K430-A434 WeakPolarHBondContact O-CB 3.29Å; K430-A434 PolarHBondContact O-N 2.73Å
431S82.4Confident80.8Confident0 Ų054.4 Ų54.40%032%0.315CS..Hα-helixtrans-71.4-35.8179.877.20000112.9A427 L428 I429 A434 S435 M443 V444A427-S431 VanDerWaalsContact O-CB 3.28Å; A427-S431 WeakPolarHBondContact O-CB 3.48Å; A427-S431 PolarHBondContact O-N 3.01Å; A427-S431 PolarHBondContact O-OG 3.44Å; L428-S431 WeakPolarHBondContact CA-OG 3.48Å; L428-S431 PolarHBondContact O-N 3.44Å; L428-S431 PolarHBondContact O-OG 3.03Å; I429-S431 VanDerWaalsContact C-N 3.33Å; I429-S431 PolarHBondContact O-N 3.14Å; S431-A434 WeakPolarHBondContact O-CB 3.46Å; S431-A434 PolarHBondContact O-N 3.49Å; S431-S435 WeakPolarHBondContact O-CB 3.49Å; S431-S435 PolarHBondContact O-N 3.16Å; S431-M443 WeakPolarHBondContact CB-O 3.35Å; S431-V444 WeakPolarHBondContact CB-O 3.22Å; S431-V444 PolarHBondContact OG-O 3.34Å
432S82.5Confident80.6Confident54 Ų5454.2 Ų54.238%0.37832%0.315SS..Hα-helixtrans-66.7-45.4175.4-59.20000110.9L428 I429 A434 S435 C436L428-S432 VanDerWaalsContact O-CB 3.27Å; L428-S432 WeakPolarHBondContact O-CB 3.48Å; L428-S432 PolarHBondContact O-N 3.37Å; L428-S432 PolarHBondContact O-OG 3.35Å; I429-S432 PolarHBondContact O-N 2.76Å; S432-A434 VanDerWaalsContact C-N 3.33Å; S432-A434 PolarHBondContact O-N 2.75Å; S432-S435 WeakPolarHBondContact O-CB 3.21Å; S432-S435 PolarHBondContact O-N 3.2Å; S432-S435 VanDerWaalsContact O-N 3.16Å; S432-C436 PolarHBondContact O-N 3.28Å; S432-C436 PolarHBondContact O-SG 3.3Å; S432-C436 VanDerWaalsContact O-SG 3.34Å
433F79.4Confident80.6Confident75 Ų7550.8 Ų50.833%0.32930%0.297SS..Hα-helixtrans-59.1-44.5173.9-179.1-95.2000111.9S70 L74 I429 S435 C436 L437S70-F433 VanDerWaalsContact CB-CZ 3.5Å; S70-F433 WeakPolarHBondContact OG-CE1 3.47Å; L74-F433 HydrophobicContact CD1-CZ 3.98Å; I429-F433 WeakPolarHBondContact O-CB 3.47Å; I429-F433 PolarHBondContact O-N 3.14Å; F433-S435 VanDerWaalsContact C-N 3.32Å; F433-S435 PolarHBondContact O-N 3.41Å; F433-C436 PolarHBondContact O-N 3.23Å; F433-L437 HydrophobicContact CE1-CD2 4.47Å; F433-L437 PolarHBondContact O-N 3.33Å
434A78.3Confident80.5Confident0 Ų050.6 Ų50.60%030%0.296CS..Hα-helixtrans-59.3-41.7174.500000113W271 M272 K430 S431 S432 L437 R438 M443W271-A434 HydrophobicContact CZ3-CB 4.02Å; M272-A434 HydrophobicContact CE-CB 3.31Å; M272-A434 HydrophobicContact SD-CB 3.43Å; M272-A434 WeakPolarHBondContact SD-CB 3.45Å; K430-A434 WeakPolarHBondContact O-CB 3.29Å; K430-A434 PolarHBondContact O-N 2.73Å; S431-A434 WeakPolarHBondContact O-CB 3.46Å; S431-A434 PolarHBondContact O-N 3.49Å; S432-A434 VanDerWaalsContact C-N 3.33Å; S432-A434 PolarHBondContact O-N 2.75Å; A434-L437 PolarHBondContact O-N 2.95Å; A434-R438 WeakPolarHBondContact O-CB 3.45Å; A434-R438 PolarHBondContact O-N 3.38Å; A434-M443 HydrophobicContact CB-CB 3.94Å; A434-M443 HydrophobicContact CB-CG 4.12Å; A434-M443 HydrophobicContact CB-SD 4.02Å
435S80.9Confident80.5Confident21 Ų2150.2 Ų50.215%0.14729%0.294CS..Hα-helixtrans-62.4-44.1177.6-175.80000111.3S431 S432 F433 R438 G439 N440 I441S431-S435 WeakPolarHBondContact O-CB 3.49Å; S431-S435 PolarHBondContact O-N 3.16Å; S432-S435 WeakPolarHBondContact O-CB 3.21Å; S432-S435 PolarHBondContact O-N 3.2Å; S432-S435 VanDerWaalsContact O-N 3.16Å; F433-S435 VanDerWaalsContact C-N 3.32Å; F433-S435 PolarHBondContact O-N 3.41Å; S435-R438 PolarHBondContact O-N 3.3Å; S435-G439 WeakPolarHBondContact O-CA 3.42Å; S435-G439 PolarHBondContact O-N 3.31Å; S435-N440 PolarHBondContact O-N 2.73Å; S435-N440 VanDerWaalsContact O-N 3.16Å; S435-N440 PolarHBondContact OG-O 2.9Å; S435-I441 WeakPolarHBondContact OG-CA 3.47Å
436C79.8Confident80.4Confident106 Ų10648.7 Ų48.772%0.71628%0.279SS*.Hα-helixtrans-62.5-44.6174.4-65.70000111.8S432 F433 G439S432-C436 PolarHBondContact O-N 3.28Å; S432-C436 PolarHBondContact O-SG 3.3Å; S432-C436 VanDerWaalsContact O-SG 3.34Å; F433-C436 PolarHBondContact O-N 3.23Å; C436-G439 PolarHBondContact O-N 2.78Å
437L73.6Confident80.6Confident48 Ų4846 Ų4625%0.25126%0.263SS..Hα-helixtrans-64.9-41.4179.9-179.759.4000112.5L74 W271 I276 F433 A434L74-L437 HydrophobicContact CD2-CD1 3.3Å; L74-L437 HydrophobicContact CG-CD1 4.17Å; W271-L437 HydrophobicContact CH2-CB 4.2Å; W271-L437 HydrophobicContact CH2-CD2 3.91Å; W271-L437 HydrophobicContact CH2-CG 3.98Å; I276-L437 HydrophobicContact CD1-CD2 4.42Å; I276-L437 HydrophobicContact CG1-CD2 4.24Å; F433-L437 HydrophobicContact CE1-CD2 4.47Å; F433-L437 PolarHBondContact O-N 3.33Å; A434-L437 PolarHBondContact O-N 2.95Å
438R76.7Confident80.6Confident99 Ų9945.5 Ų45.537%0.37426%0.258SS..Hα-helixtrans-80.3-21.8179.8-164.7173.2-174.6-1698113W271 A434 S435 N440 M443W271-R438 HydrophobicContact CH2-CB 3.8Å; W271-R438 HydrophobicContact CH2-CG 4.43Å; W271-R438 HydrophobicContact CZ2-CB 3.62Å; W271-R438 HydrophobicContact CZ2-CG 3.79Å; A434-R438 WeakPolarHBondContact O-CB 3.45Å; A434-R438 PolarHBondContact O-N 3.38Å; S435-R438 PolarHBondContact O-N 3.3Å; R438-N440 VanDerWaalsContact C-N 3.27Å; R438-N440 HydrophobicContact CB-CB 4.45Å; R438-N440 HydrophobicContact CG-CB 4.07Å; R438-M443 HydrophobicContact CB-CG 4.07Å
439G73.6Confident80.5Confident71 Ų7143.4 Ų43.473%0.73225%0.246SC*.THydrogen-bonded Turntrans66.427.1-167.700000113.1S435 C436S435-G439 WeakPolarHBondContact O-CA 3.42Å; S435-G439 PolarHBondContact O-N 3.31Å; C436-G439 PolarHBondContact O-N 2.78Å
440N77.6Confident80.6Confident63 Ų6338.5 Ų38.534%0.33722%0.222SC..  trans-142.8121.2-174.6-170.2-20.9000112.8S435 R438 V442 M443S435-N440 PolarHBondContact O-N 2.73Å; S435-N440 VanDerWaalsContact O-N 3.16Å; S435-N440 PolarHBondContact OG-O 2.9Å; R438-N440 VanDerWaalsContact C-N 3.27Å; R438-N440 HydrophobicContact CB-CB 4.45Å; R438-N440 HydrophobicContact CG-CB 4.07Å; N440-V442 PolarHBondContact O-N 2.71Å; N440-V442 VanDerWaalsContact O-N 3.09Å; N440-V442 WeakPolarHBondContact OD1-CB 2.98Å; N440-V442 WeakPolarHBondContact OD1-CG2 3.32Å; N440-V442 PolarHBondContact OD1-N 2.66Å; N440-M443 PolarHBondContact O-N 3.47Å
441I77.4Confident80.7Confident106 Ų10638.3 Ų38.354%0.54423%0.225SC..G310 helixtrans-61.4-19.1-178.2-154.6161.8000114.1S435 M443 V444 L543S435-I441 WeakPolarHBondContact OG-CA 3.47Å; I441-M443 PolarHBondContact O-N 3.02Å; I441-V444 HydrophobicContact CG1-CG2 4Å; I441-V444 WeakPolarHBondContact O-CB 3.25Å; I441-V444 WeakPolarHBondContact O-CG2 3.31Å; I441-V444 PolarHBondContact O-N 2.92Å; I441-L543 HydrophobicContact CG2-CD1 4.47Å
442V79Confident80.8Confident27 Ų2739.4 Ų39.416%0.16423%0.231CC..G310 helixtrans-56.3-25.4175.3172.90000111.9F264 N440 V444 F445F264-V442 HydrophobicContact CE2-CG1 3.74Å; F264-V442 HydrophobicContact CZ-CG1 3.75Å; N440-V442 PolarHBondContact O-N 2.71Å; N440-V442 VanDerWaalsContact O-N 3.09Å; N440-V442 WeakPolarHBondContact OD1-CB 2.98Å; N440-V442 WeakPolarHBondContact OD1-CG2 3.32Å; N440-V442 PolarHBondContact OD1-N 2.66Å; V442-V444 PolarHBondContact O-N 2.94Å; V442-F445 WeakPolarHBondContact O-CD2 3.49Å; V442-F445 PolarHBondContact O-N 2.95Å
443M82.6Confident81Confident0 Ų038.7 Ų38.70%022%0.22CC..G310 helixtrans-66.6-21.6176.5-78.2-70.4136.400114V268 W271 M272 S431 A434 R438 N440 I441 F445 M446V268-M443 HydrophobicContact CB-CE 4.49Å; V268-M443 HydrophobicContact CG1-CE 3.95Å; V268-M443 HydrophobicContact CG1-SD 3.82Å; W271-M443 HydrophobicContact CB-CE 3.55Å; W271-M443 HydrophobicContact CD2-CE 3.54Å; W271-M443 HydrophobicContact CD2-SD 3.96Å; W271-M443 HydrophobicContact CE3-CE 3.63Å; W271-M443 HydrophobicContact CE3-CG 4.47Å; W271-M443 HydrophobicContact CE3-SD 3.39Å; W271-M443 HydrophobicContact CG-CE 3.5Å; W271-M443 VanDerWaalsContact CG-CE 3.5Å; W271-M443 HydrophobicContact CG-SD 4.47Å; W271-M443 HydrophobicContact CZ3-SD 3.91Å; M272-M443 HydrophobicContact SD-SD 4.42Å; S431-M443 WeakPolarHBondContact CB-O 3.35Å; A434-M443 HydrophobicContact CB-CB 3.94Å; A434-M443 HydrophobicContact CB-CG 4.12Å; A434-M443 HydrophobicContact CB-SD 4.02Å; R438-M443 HydrophobicContact CB-CG 4.07Å; N440-M443 PolarHBondContact O-N 3.47Å; I441-M443 PolarHBondContact O-N 3.02Å; M443-F445 PolarHBondContact O-N 3.2Å; M443-M446 WeakPolarHBondContact O-CB 3.49Å; M443-M446 PolarHBondContact O-N 3.24Å
444V82Confident81.3Confident29 Ų2936.6 Ų36.618%0.17621%0.212CC..G310 helixtrans-58.1-34.5178.4175.50000111.2L428 S431 I441 V442 M446 S447 L536L428-V444 HydrophobicContact CD1-CG1 4.28Å; S431-V444 WeakPolarHBondContact CB-O 3.22Å; S431-V444 PolarHBondContact OG-O 3.34Å; I441-V444 HydrophobicContact CG1-CG2 4Å; I441-V444 WeakPolarHBondContact O-CB 3.25Å; I441-V444 WeakPolarHBondContact O-CG2 3.31Å; I441-V444 PolarHBondContact O-N 2.92Å; V442-V444 PolarHBondContact O-N 2.94Å; V444-M446 PolarHBondContact O-N 3.17Å; V444-S447 WeakPolarHBondContact O-CB 3.41Å; V444-S447 PolarHBondContact O-N 3.28Å; V444-S447 PolarHBondContact O-OG 3.3Å; V444-L536 HydrophobicContact CG1-CD2 3.97Å
445F83.3Confident81.6Confident3 Ų337.6 Ų37.61%0.01322%0.219CC..G310 helixtrans-63.9-9.1177-63.7-67.1000114.5F264 V442 M443 S447 F448 L539 Y540 L543 I544F264-F445 HydrophobicContact CE1-CB 3.59Å; F264-F445 AromaticContact CE1-CD2 3.82Å; F264-F445 HydrophobicContact CE1-CD2 3.82Å; F264-F445 AromaticContact CE1-CG 3.73Å; F264-F445 HydrophobicContact CE1-CG 3.73Å; F264-F445 HydrophobicContact CZ-CB 4.06Å; F264-F445 AromaticContact CZ-CD2 3.6Å; F264-F445 HydrophobicContact CZ-CD2 3.6Å; F264-F445 HydrophobicContact CZ-CE2 4.34Å; F264-F445 HydrophobicContact CZ-CG 4.02Å; V442-F445 WeakPolarHBondContact O-CD2 3.49Å; V442-F445 PolarHBondContact O-N 2.95Å; M443-F445 PolarHBondContact O-N 3.2Å; F445-S447 PolarHBondContact O-N 2.84Å; F445-S447 VanDerWaalsContact O-N 3.15Å; F445-F448 HydrophobicContact CB-CD2 4.5Å; F445-F448 AromaticContact CD1-CD2 3.93Å; F445-F448 HydrophobicContact CD1-CD2 3.93Å; F445-F448 AromaticContact CD1-CE2 3.79Å; F445-F448 HydrophobicContact CD1-CE2 3.79Å; F445-F448 HydrophobicContact CE1-CE2 4.29Å; F445-F448 WeakPolarHBondContact O-CB 3.49Å; F445-F448 PolarHBondContact O-N 3.5Å; F445-F448 VanDerWaalsContact O-N 3.08Å; F445-L539 HydrophobicContact CE1-CB 4.17Å; F445-L539 HydrophobicContact CZ-CB 4.12Å; F445-Y540 HydrophobicContact CD1-CD2 4.32Å; F445-Y540 HydrophobicContact CE1-CD2 4.24Å; F445-Y540 HydrophobicContact CE1-CG 4.46Å; F445-L543 HydrophobicContact CE2-CD1 4.21Å; F445-L543 HydrophobicContact CZ-CB 4.45Å; F445-L543 HydrophobicContact CZ-CD1 4.1Å; F445-I544 HydrophobicContact CE2-CD1 4.48Å; F445-I544 HydrophobicContact CE2-CG1 4.24Å; F445-I544 HydrophobicContact CZ-CG1 4.48Å
446M83Confident81.9Confident16 Ų1636.6 Ų36.68%0.07921%0.212CC..Hα-helixtrans-57.1-25.6168.8-171.454.8-150.300111.8V268 R269 M272 M443 V444 F448 Y449V268-M446 HydrophobicContact CB-SD 4.46Å; V268-M446 HydrophobicContact CG1-CB 3.58Å; V268-M446 HydrophobicContact CG1-CG 4.16Å; V268-M446 HydrophobicContact CG1-SD 3.82Å; R269-M446 HydrophobicContact CB-SD 4.43Å; M272-M446 HydrophobicContact CG-CG 4.28Å; M272-M446 HydrophobicContact CG-SD 4.33Å; M443-M446 WeakPolarHBondContact O-CB 3.49Å; M443-M446 PolarHBondContact O-N 3.24Å; V444-M446 PolarHBondContact O-N 3.17Å; M446-F448 PolarHBondContact O-N 3.4Å; M446-Y449 VanDerWaalsContact CE-CB 3.49Å; M446-Y449 HydrophobicContact CE-CD1 3.24Å; M446-Y449 HydrophobicContact CE-CD2 4.48Å; M446-Y449 HydrophobicContact CE-CE1 4.05Å; M446-Y449 HydrophobicContact CE-CG 3.49Å; M446-Y449 VanDerWaalsContact CE-CG 3.49Å; M446-Y449 VanDerWaalsContact O-CB 3.31Å; M446-Y449 WeakPolarHBondContact O-CB 3Å; M446-Y449 PolarHBondContact O-N 2.91Å; M446-Y449 HydrophobicContact SD-CG 4.21Å
447S85Confident82.2Confident0 Ų031.8 Ų31.80%018%0.179CC..Hα-helixtrans-60.7-32.8176.472.60000112.6V444 F445 Y449 S450 Y532 L536V444-S447 WeakPolarHBondContact O-CB 3.41Å; V444-S447 PolarHBondContact O-N 3.28Å; V444-S447 PolarHBondContact O-OG 3.3Å; F445-S447 PolarHBondContact O-N 2.84Å; F445-S447 VanDerWaalsContact O-N 3.15Å; S447-Y449 VanDerWaalsContact C-N 3.3Å; S447-Y449 PolarHBondContact O-N 3.42Å; S447-S450 WeakPolarHBondContact O-CB 3.4Å; S447-S450 PolarHBondContact O-N 3.25Å; S447-S450 PolarHBondContact O-OG 3.04Å; S447-Y532 WeakPolarHBondContact CB-OH 3.19Å; S447-Y532 PolarHBondContact OG-OH 3.46Å; S447-L536 VanDerWaalsContact OG-CD1 3.29Å; S447-L536 WeakPolarHBondContact OG-CD1 3.32Å
448F84.3Confident82.9Confident4 Ų429.5 Ų29.52%0.01817%0.167CC..Hα-helixtrans-66.8-28.1173.2-71.5-34.6000113.8W261 L265 F445 M446 S450 V451 W533 L536 L537W261-F448 AromaticContact CH2-CD2 3.85Å; W261-F448 HydrophobicContact CH2-CD2 3.85Å; W261-F448 AromaticContact CH2-CE2 3.42Å; W261-F448 HydrophobicContact CH2-CE2 3.42Å; W261-F448 VanDerWaalsContact CH2-CE2 3.42Å; W261-F448 AromaticContact CH2-CZ 3.92Å; W261-F448 HydrophobicContact CH2-CZ 3.92Å; W261-F448 HydrophobicContact CZ2-CB 4.44Å; W261-F448 AromaticContact CZ2-CD2 3.38Å; W261-F448 HydrophobicContact CZ2-CD2 3.38Å; W261-F448 AromaticContact CZ2-CE2 3.49Å; W261-F448 HydrophobicContact CZ2-CE2 3.49Å; W261-F448 VanDerWaalsContact CZ2-CE2 3.49Å; W261-F448 AromaticContact CZ2-CG 3.95Å; W261-F448 HydrophobicContact CZ2-CG 3.95Å; W261-F448 HydrophobicContact CZ2-CZ 4.13Å; L265-F448 HydrophobicContact CD1-CB 4.12Å; L265-F448 HydrophobicContact CD2-CB 3.82Å; F445-F448 HydrophobicContact CB-CD2 4.5Å; F445-F448 AromaticContact CD1-CD2 3.93Å; F445-F448 HydrophobicContact CD1-CD2 3.93Å; F445-F448 AromaticContact CD1-CE2 3.79Å; F445-F448 HydrophobicContact CD1-CE2 3.79Å; F445-F448 HydrophobicContact CE1-CE2 4.29Å; F445-F448 WeakPolarHBondContact O-CB 3.49Å; F445-F448 PolarHBondContact O-N 3.5Å; F445-F448 VanDerWaalsContact O-N 3.08Å; M446-F448 PolarHBondContact O-N 3.4Å; F448-S450 PolarHBondContact O-N 3.35Å; F448-V451 WeakPolarHBondContact O-CB 3.48Å; F448-V451 PolarHBondContact O-N 2.84Å; F448-V451 VanDerWaalsContact O-N 3.17Å; F448-W533 HydrophobicContact CD1-CE3 4.16Å; F448-W533 HydrophobicContact CD1-CH2 4.18Å; F448-W533 AromaticContact CD1-CZ3 3.54Å; F448-W533 HydrophobicContact CD1-CZ3 3.54Å; F448-W533 AromaticContact CE1-CE3 3.58Å; F448-W533 HydrophobicContact CE1-CE3 3.58Å; F448-W533 HydrophobicContact CE1-CH2 4.41Å; F448-W533 AromaticContact CE1-CZ3 3.4Å; F448-W533 HydrophobicContact CE1-CZ3 3.4Å; F448-W533 VanDerWaalsContact CE1-CZ3 3.4Å; F448-W533 HydrophobicContact CZ-CZ3 4.44Å; F448-L536 HydrophobicContact CD1-CB 4.49Å; F448-L536 HydrophobicContact CD1-CD1 4.12Å; F448-L536 HydrophobicContact CE1-CB 3.45Å; F448-L536 VanDerWaalsContact CE1-CB 3.45Å; F448-L536 HydrophobicContact CE1-CD1 3.73Å; F448-L536 HydrophobicContact CE1-CG 4.28Å; F448-L536 HydrophobicContact CE2-CB 4.02Å; F448-L536 HydrophobicContact CZ-CB 3.2Å; F448-L536 HydrophobicContact CZ-CD1 4.23Å; F448-L536 HydrophobicContact CZ-CG 4.34Å; F448-L537 HydrophobicContact CZ-CD2 4.33Å; F448-L537 HydrophobicContact CZ-CG 4.3Å
449Y85Confident83.4Confident18 Ų1825.1 Ų25.17%0.07115%0.152CC..Hα-helixtrans-65.9-26.3177.1-176.4-86.8000111.9R269 W357 M446 S447 V451 L452 Y453 L457R269-Y449 HydrophobicContact CB-CD2 3.85Å; R269-Y449 HydrophobicContact CB-CE2 3.62Å; R269-Y449 HydrophobicContact CB-CG 4.39Å; R269-Y449 HydrophobicContact CG-CD2 4.3Å; R269-Y449 HydrophobicContact CG-CE1 4.06Å; R269-Y449 HydrophobicContact CG-CE2 3.63Å; R269-Y449 VanDerWaalsContact CG-CZ 3.47Å; R269-Y449 WeakPolarHBondContact CG-OH 3.36Å; W357-Y449 HydrophobicContact CZ2-CE2 4.48Å; M446-Y449 VanDerWaalsContact CE-CB 3.49Å; M446-Y449 HydrophobicContact CE-CD1 3.24Å; M446-Y449 HydrophobicContact CE-CD2 4.48Å; M446-Y449 HydrophobicContact CE-CE1 4.05Å; M446-Y449 HydrophobicContact CE-CG 3.49Å; M446-Y449 VanDerWaalsContact CE-CG 3.49Å; M446-Y449 VanDerWaalsContact O-CB 3.31Å; M446-Y449 WeakPolarHBondContact O-CB 3Å; M446-Y449 PolarHBondContact O-N 2.91Å; M446-Y449 HydrophobicContact SD-CG 4.21Å; S447-Y449 VanDerWaalsContact C-N 3.3Å; S447-Y449 PolarHBondContact O-N 3.42Å; Y449-V451 PolarHBondContact O-N 2.94Å; Y449-L452 PolarHBondContact O-N 3.49Å; Y449-Y453 HydrophobicContact CE1-CD2 4.27Å; Y449-Y453 WeakPolarHBondContact O-CB 3.45Å; Y449-Y453 PolarHBondContact O-N 3.34Å; Y449-L457 HydrophobicContact CE1-CD1 4.03Å; Y449-L457 HydrophobicContact CE2-CD1 4.26Å; Y449-L457 WeakPolarHBondContact OH-CD1 3.42Å
450S84.4Confident84Confident16 Ų1621.8 Ų21.811%0.11212%0.117CC..Hα-helixtrans-56.3-35.917469.90000112.1S447 F448 Y453 M454S447-S450 WeakPolarHBondContact O-CB 3.4Å; S447-S450 PolarHBondContact O-N 3.25Å; S447-S450 PolarHBondContact O-OG 3.04Å; F448-S450 PolarHBondContact O-N 3.35Å; S450-Y453 WeakPolarHBondContact O-CB 3.33Å; S450-Y453 PolarHBondContact O-N 2.87Å; S450-M454 WeakPolarHBondContact O-CG 3.29Å; S450-M454 PolarHBondContact O-N 3.39Å
451V83.8Confident84.5Confident48 Ų4820.5 Ų20.529%0.29111%0.108SC..Hα-helixtrans-71.4-47.2180173.60000109.9F448 Y449 Y453 M454 S455 W533F448-V451 WeakPolarHBondContact O-CB 3.48Å; F448-V451 PolarHBondContact O-N 2.84Å; F448-V451 VanDerWaalsContact O-N 3.17Å; Y449-V451 PolarHBondContact O-N 2.94Å; V451-Y453 PolarHBondContact O-N 2.89Å; V451-M454 PolarHBondContact O-N 3.01Å; V451-S455 WeakPolarHBondContact O-CB 3.39Å; V451-S455 PolarHBondContact O-N 2.99Å; V451-S455 PolarHBondContact O-OG 2.67Å; V451-W533 HydrophobicContact CB-CH2 4.09Å; V451-W533 HydrophobicContact CB-CZ2 4.44Å; V451-W533 HydrophobicContact CG1-CH2 4.09Å; V451-W533 HydrophobicContact CG1-CZ2 4.39Å; V451-W533 HydrophobicContact CG2-CH2 3.48Å; V451-W533 VanDerWaalsContact CG2-CH2 3.48Å; V451-W533 HydrophobicContact CG2-CZ2 3.47Å; V451-W533 VanDerWaalsContact CG2-CZ2 3.47Å
452L85.4Confident85.1Confident23 Ų2318.7 Ų18.712%0.1210%0.098CC..Hα-helixtrans-58-35.8172.2-72.7-174.1000112.4I262 L265 Y354 W357 Y449 S455 S456 L457I262-L452 HydrophobicContact CD1-CD1 4.18Å; I262-L452 HydrophobicContact CD1-CD2 4.46Å; L265-L452 HydrophobicContact CB-CD1 4.27Å; L265-L452 HydrophobicContact CD1-CD1 3.41Å; L265-L452 VanDerWaalsContact CD1-CD1 3.41Å; L265-L452 HydrophobicContact CD1-CG 4.06Å; L265-L452 HydrophobicContact CG-CD1 4.5Å; Y354-L452 HydrophobicContact CE2-CD2 4.37Å; W357-L452 HydrophobicContact CH2-CB 4.31Å; W357-L452 HydrophobicContact CH2-CD1 4.33Å; W357-L452 HydrophobicContact CZ2-CD1 4.44Å; Y449-L452 PolarHBondContact O-N 3.49Å; L452-S455 WeakPolarHBondContact CA-OG 3.21Å; L452-S456 WeakPolarHBondContact O-CA 3.03Å; L452-S456 VanDerWaalsContact O-CB 3.27Å; L452-S456 WeakPolarHBondContact O-CB 3.45Å; L452-S456 PolarHBondContact O-N 2.8Å; L452-L457 PolarHBondContact O-N 3.36Å; L452-L457 VanDerWaalsContact O-N 3.17Å
453Y86.3Confident85.4Confident40 Ų4019.6 Ų19.616%0.15710%0.1CC..Iπ-helixtrans-64.4-48.7176.8-173.4-90.9000111.4F396 L400 Y449 S450 V451 L457 L458 K461F396-Y453 HydrophobicContact CE1-CE1 4.27Å; L400-Y453 HydrophobicContact CD1-CE1 3.96Å; Y449-Y453 HydrophobicContact CE1-CD2 4.27Å; Y449-Y453 WeakPolarHBondContact O-CB 3.45Å; Y449-Y453 PolarHBondContact O-N 3.34Å; S450-Y453 WeakPolarHBondContact O-CB 3.33Å; S450-Y453 PolarHBondContact O-N 2.87Å; V451-Y453 PolarHBondContact O-N 2.89Å; Y453-L457 HydrophobicContact CD2-CB 4.03Å; Y453-L457 HydrophobicContact CD2-CD1 3.78Å; Y453-L457 HydrophobicContact CE2-CB 4.48Å; Y453-L457 HydrophobicContact CG-CD1 4.48Å; Y453-L457 PolarHBondContact O-N 2.87Å; Y453-L458 HydrophobicContact CD1-CD2 4.36Å; Y453-L458 HydrophobicContact CD1-CG 4.11Å; Y453-L458 HydrophobicContact CE1-CD1 4.44Å; Y453-L458 HydrophobicContact CE1-CD2 3.57Å; Y453-L458 HydrophobicContact CE1-CG 3.83Å; Y453-L458 PolarHBondContact O-N 3.02Å; Y453-K461 PolarHBondContact OH-NZ 2.79Å
454M85.4Confident85.4Confident30 Ų3019.6 Ų19.615%0.14810%0.1CC..Iπ-helixtrans-70.6-37.6-179.5-67.4-56.2-63.500113.5L400 F419 V423 S450 V451 L458 W494L400-M454 HydrophobicContact CD1-SD 4.22Å; F419-M454 HydrophobicContact CE1-CE 3.84Å; F419-M454 HydrophobicContact CZ-CE 3.7Å; V423-M454 HydrophobicContact CG1-CG 4.12Å; S450-M454 WeakPolarHBondContact O-CG 3.29Å; S450-M454 PolarHBondContact O-N 3.39Å; V451-M454 PolarHBondContact O-N 3.01Å; M454-L458 HydrophobicContact CE-CD1 3.67Å; M454-L458 HydrophobicContact SD-CD1 3.52Å; M454-L458 VanDerWaalsContact SD-CD1 3.52Å; M454-W494 PolarHBondContact O-NE1 2.98Å; M454-W494 VanDerWaalsContact O-NE1 3.11Å
455S85.3Confident85.6Confident21 Ų2120.8 Ų20.815%0.14711%0.105CC..Iπ-helixtrans-81.4-37.1-177.161.10000113.4V451 L452 P459V451-S455 WeakPolarHBondContact O-CB 3.39Å; V451-S455 PolarHBondContact O-N 2.99Å; V451-S455 PolarHBondContact O-OG 2.67Å; L452-S455 WeakPolarHBondContact CA-OG 3.21Å; S455-P459 WeakPolarHBondContact O-CG 3.45Å
456S86Confident85.6Confident1 Ų124.7 Ų24.71%0.00714%0.138CC..Iπ-helixtrans-122.9-47.6-161.8-43.90000112.2Y354 L452 P459 A460Y354-S456 VanDerWaalsContact OH-CB 3.29Å; Y354-S456 WeakPolarHBondContact OH-CB 3.48Å; Y354-S456 PolarHBondContact OH-OG 3.47Å; L452-S456 WeakPolarHBondContact O-CA 3.03Å; L452-S456 VanDerWaalsContact O-CB 3.27Å; L452-S456 WeakPolarHBondContact O-CB 3.45Å; L452-S456 PolarHBondContact O-N 2.8Å; S456-P459 WeakPolarHBondContact O-CG 3.32Å; S456-A460 WeakPolarHBondContact O-CB 3.31Å; S456-A460 PolarHBondContact O-N 3.17Å
457L86.4Confident85.4Confident5 Ų524.9 Ų24.93%0.02614%0.14CC..Iπ-helixtrans-77.1-38.8-173.8-63.2173000113.2W357 Q361 Y449 L452 Y453 A460 K461W357-L457 HydrophobicContact CH2-CD1 4.24Å; W357-L457 HydrophobicContact CH2-CD2 3.71Å; W357-L457 HydrophobicContact CH2-CG 3.87Å; W357-L457 HydrophobicContact CZ2-CD1 4.34Å; W357-L457 HydrophobicContact CZ2-CD2 4.04Å; W357-L457 HydrophobicContact CZ2-CG 4.38Å; W357-L457 HydrophobicContact CZ3-CD2 4.43Å; Q361-L457 HydrophobicContact CB-CD2 3.54Å; Q361-L457 HydrophobicContact CG-CD2 3.67Å; Y449-L457 HydrophobicContact CE1-CD1 4.03Å; Y449-L457 HydrophobicContact CE2-CD1 4.26Å; Y449-L457 WeakPolarHBondContact OH-CD1 3.42Å; L452-L457 PolarHBondContact O-N 3.36Å; L452-L457 VanDerWaalsContact O-N 3.17Å; Y453-L457 HydrophobicContact CD2-CB 4.03Å; Y453-L457 HydrophobicContact CD2-CD1 3.78Å; Y453-L457 HydrophobicContact CE2-CB 4.48Å; Y453-L457 HydrophobicContact CG-CD1 4.48Å; Y453-L457 PolarHBondContact O-N 2.87Å; L457-A460 PolarHBondContact O-N 2.85Å; L457-K461 WeakPolarHBondContact O-CB 3.3Å; L457-K461 VanDerWaalsContact O-CG 3.31Å; L457-K461 WeakPolarHBondContact O-CG 3.27Å; L457-K461 PolarHBondContact O-N 2.76Å
458L87.8Confident85Confident0 Ų026.8 Ų26.80%015%0.15CC..Hα-helixtrans-56.3-55.6175.4-78.4-176.1000112.6P397 L400 I401 Y453 M454 A460 K461 M462P397-L458 HydrophobicContact CB-CD2 3.92Å; L400-L458 HydrophobicContact CB-CD1 4.27Å; L400-L458 HydrophobicContact CD1-CD1 4.46Å; L400-L458 HydrophobicContact CD1-CD2 4.49Å; I401-L458 HydrophobicContact CD1-CB 4.34Å; I401-L458 HydrophobicContact CD1-CD2 4.48Å; I401-L458 HydrophobicContact CG1-CB 4.33Å; I401-L458 HydrophobicContact CG1-CD1 4.25Å; I401-L458 HydrophobicContact CG1-CD2 4.39Å; Y453-L458 HydrophobicContact CD1-CD2 4.36Å; Y453-L458 HydrophobicContact CD1-CG 4.11Å; Y453-L458 HydrophobicContact CE1-CD1 4.44Å; Y453-L458 HydrophobicContact CE1-CD2 3.57Å; Y453-L458 HydrophobicContact CE1-CG 3.83Å; Y453-L458 PolarHBondContact O-N 3.02Å; M454-L458 HydrophobicContact CE-CD1 3.67Å; M454-L458 HydrophobicContact SD-CD1 3.52Å; M454-L458 VanDerWaalsContact SD-CD1 3.52Å; L458-A460 VanDerWaalsContact C-N 3.32Å; L458-A460 PolarHBondContact O-N 2.83Å; L458-K461 WeakPolarHBondContact O-CB 3.43Å; L458-K461 PolarHBondContact O-N 3.27Å; L458-M462 PolarHBondContact O-N 3.23Å
459P87.6Confident84.2Confident7 Ų730.2 Ų30.25%0.04517%0.168CC..Hα-helixtrans-66-34.7177.925.1-34.1000112.6S455 S456 K461 M462 F463 P490 I491 W494S455-P459 WeakPolarHBondContact O-CG 3.45Å; S456-P459 WeakPolarHBondContact O-CG 3.32Å; P459-K461 VanDerWaalsContact C-N 3.3Å; P459-K461 PolarHBondContact O-N 3.07Å; P459-M462 PolarHBondContact O-N 3.03Å; P459-F463 WeakPolarHBondContact O-CB 3.49Å; P459-F463 PolarHBondContact O-N 3.49Å; P459-P490 HydrophobicContact CB-CB 4.22Å; P459-P490 WeakPolarHBondContact CB-O 3.25Å; P459-I491 HydrophobicContact CG-CG1 4.26Å; P459-W494 HydrophobicContact CB-CB 3.7Å; P459-W494 HydrophobicContact CB-CD2 4.39Å; P459-W494 HydrophobicContact CB-CG 3.93Å; P459-W494 HydrophobicContact CG-CB 3.96Å; P459-W494 HydrophobicContact CG-CD2 4.48Å; P459-W494 HydrophobicContact CG-CG 3.86Å
460A86.3Confident83.4Confident0 Ų036.6 Ų36.60%020%0.196CC..Hα-helixtrans-61.6-3617400000112.8L358 S456 L457 L458 A464L358-A460 HydrophobicContact CD1-CB 4.05Å; S456-A460 WeakPolarHBondContact O-CB 3.31Å; S456-A460 PolarHBondContact O-N 3.17Å; L457-A460 PolarHBondContact O-N 2.85Å; L458-A460 VanDerWaalsContact C-N 3.32Å; L458-A460 PolarHBondContact O-N 2.83Å; A460-A464 VanDerWaalsContact O-CB 3.24Å; A460-A464 WeakPolarHBondContact O-CB 3.31Å; A460-A464 PolarHBondContact O-N 3.05Å
461K88.6Confident82Confident37 Ų3738.9 Ų38.916%0.16121%0.212CC..Hα-helixtrans-65-43.7174.6-78.5177.5178.2-169.70112F369 P397 Y453 L457 L458 P459 F463 A464 I465F369-K461 HydrophobicContact CE2-CB 4.05Å; F369-K461 HydrophobicContact CE2-CG 4.26Å; F369-K461 HydrophobicContact CZ-CB 4.43Å; P397-K461 HydrophobicContact CB-CD 4.22Å; P397-K461 HydrophobicContact CG-CD 4.01Å; Y453-K461 PolarHBondContact OH-NZ 2.79Å; L457-K461 WeakPolarHBondContact O-CB 3.3Å; L457-K461 VanDerWaalsContact O-CG 3.31Å; L457-K461 WeakPolarHBondContact O-CG 3.27Å; L457-K461 PolarHBondContact O-N 2.76Å; L458-K461 WeakPolarHBondContact O-CB 3.43Å; L458-K461 PolarHBondContact O-N 3.27Å; P459-K461 VanDerWaalsContact C-N 3.3Å; P459-K461 PolarHBondContact O-N 3.07Å; K461-F463 VanDerWaalsContact C-N 3.35Å; K461-A464 WeakPolarHBondContact O-CB 3.36Å; K461-A464 PolarHBondContact O-N 3.08Å; K461-I465 WeakPolarHBondContact O-CG1 3.39Å; K461-I465 PolarHBondContact O-N 3.21Å
462M88.9Confident80.5Confident67 Ų6739.3 Ų39.333%0.3323%0.227SC..Hα-helixtrans-64.2-42.7177.3-63.1-51.2-65.300111.8F398 I401 L458 P459 A464 I465 A466F398-M462 HydrophobicContact CD1-CE 3.95Å; F398-M462 HydrophobicContact CD1-SD 4.02Å; F398-M462 HydrophobicContact CE1-CE 3.72Å; F398-M462 HydrophobicContact CE1-SD 3.87Å; I401-M462 HydrophobicContact CD1-CG 3.28Å; I401-M462 HydrophobicContact CD1-SD 3.6Å; I401-M462 VanDerWaalsContact CD1-SD 3.6Å; L458-M462 PolarHBondContact O-N 3.23Å; P459-M462 PolarHBondContact O-N 3.03Å; M462-A464 VanDerWaalsContact C-N 3.31Å; M462-A464 PolarHBondContact O-N 3.42Å; M462-I465 PolarHBondContact O-N 2.95Å; M462-I465 HydrophobicContact SD-CD1 4.3Å; M462-A466 PolarHBondContact O-N 2.61Å
463F85.6Confident78.7Confident47 Ų4744.2 Ų44.221%0.20624%0.243CC..Hα-helixtrans-64.1-37.8174.6-174.2-105.1000112.7T362 P459 K461 I465 A466 T467 I486 P490T362-F463 HydrophobicContact CG2-CD1 4.01Å; P459-F463 WeakPolarHBondContact O-CB 3.49Å; P459-F463 PolarHBondContact O-N 3.49Å; K461-F463 VanDerWaalsContact C-N 3.35Å; F463-I465 VanDerWaalsContact C-N 3.34Å; F463-A466 PolarHBondContact O-N 3.1Å; F463-T467 HydrophobicContact CD2-CG2 4.25Å; F463-T467 HydrophobicContact CE1-CG2 4.13Å; F463-T467 HydrophobicContact CE2-CG2 3.79Å; F463-T467 HydrophobicContact CZ-CG2 3.73Å; F463-T467 WeakPolarHBondContact O-CB 3.26Å; F463-T467 PolarHBondContact O-N 3.35Å; F463-T467 PolarHBondContact O-OG1 3.49Å; F463-I486 HydrophobicContact CE1-CG2 3.76Å; F463-I486 HydrophobicContact CZ-CG2 3.63Å; F463-P490 HydrophobicContact CB-CB 3.61Å; F463-P490 HydrophobicContact CB-CG 3.73Å; F463-P490 HydrophobicContact CD1-CG 4.16Å; F463-P490 HydrophobicContact CD2-CB 4.2Å; F463-P490 HydrophobicContact CD2-CG 4.23Å; F463-P490 HydrophobicContact CG-CB 3.99Å; F463-P490 HydrophobicContact CG-CG 3.77Å
464A83.4Confident76.8Confident0 Ų043.5 Ų43.50%025%0.248CC..Hα-helixtrans-61.3-42.4175.100000111.8T362 K366 A460 K461 M462 T467 I468T362-A464 HydrophobicContact CG2-CB 4.35Å; K366-A464 HydrophobicContact CB-CB 4.37Å; K366-A464 HydrophobicContact CG-CB 3.52Å; A460-A464 VanDerWaalsContact O-CB 3.24Å; A460-A464 WeakPolarHBondContact O-CB 3.31Å; A460-A464 PolarHBondContact O-N 3.05Å; K461-A464 WeakPolarHBondContact O-CB 3.36Å; K461-A464 PolarHBondContact O-N 3.08Å; M462-A464 VanDerWaalsContact C-N 3.31Å; M462-A464 PolarHBondContact O-N 3.42Å; A464-T467 CarbonylContact O-C 3.58Å; A464-T467 PolarHBondContact O-N 2.79Å; A464-I468 WeakPolarHBondContact O-CA 3.41Å; A464-I468 PolarHBondContact O-N 3.26Å; A464-I468 VanDerWaalsContact O-N 3.07Å
465I85.3Confident75.1Confident54 Ų5443.5 Ų43.528%0.27725%0.25SS..Hα-helixtrans-62.9-48.8174.6-65.6158.1000110.5F369 F398 K461 M462 F463 T467 I468F369-I465 HydrophobicContact CB-CG1 4.41Å; F369-I465 HydrophobicContact CD1-CD1 4.24Å; F369-I465 HydrophobicContact CD1-CG1 4.12Å; F369-I465 HydrophobicContact CD2-CD1 4.02Å; F369-I465 HydrophobicContact CD2-CG1 3.45Å; F369-I465 VanDerWaalsContact CD2-CG1 3.45Å; F369-I465 HydrophobicContact CE1-CD1 3.9Å; F369-I465 HydrophobicContact CE1-CG1 4.25Å; F369-I465 HydrophobicContact CE2-CD1 3.66Å; F369-I465 HydrophobicContact CE2-CG1 3.6Å; F369-I465 HydrophobicContact CG-CD1 4.31Å; F369-I465 HydrophobicContact CG-CG1 3.74Å; F369-I465 HydrophobicContact CZ-CD1 3.59Å; F369-I465 HydrophobicContact CZ-CG1 4Å; F398-I465 HydrophobicContact CE1-CD1 4.01Å; F398-I465 HydrophobicContact CE2-CD1 4.42Å; F398-I465 HydrophobicContact CZ-CD1 3.51Å; K461-I465 WeakPolarHBondContact O-CG1 3.39Å; K461-I465 PolarHBondContact O-N 3.21Å; M462-I465 PolarHBondContact O-N 2.95Å; M462-I465 HydrophobicContact SD-CD1 4.3Å; F463-I465 VanDerWaalsContact C-N 3.34Å; I465-T467 PolarHBondContact O-N 3.36Å; I465-I468 WeakPolarHBondContact O-CB 3.5Å; I465-I468 WeakPolarHBondContact O-CG2 3.01Å; I465-I468 PolarHBondContact O-N 3.24Å
466A83.6Confident73.3Confident85 Ų8544.1 Ų44.170%0.70226%0.255SS*.Hα-helixtrans-63.4-26.9-179.300000113.4M462 F463M462-A466 PolarHBondContact O-N 2.61Å; F463-A466 PolarHBondContact O-N 3.1Å
467T79.7Confident71.5Confident20 Ų2044.6 Ų44.612%0.12326%0.26CS..THydrogen-bonded Turntrans-114.826.2-177.163.20000113.3K366 F463 A464 I465 N469 K470K366-T467 WeakPolarHBondContact CE-OG1 3.31Å; K366-T467 PolarHBondContact NZ-O 3.21Å; K366-T467 PolarHBondContact NZ-OG1 3.48Å; F463-T467 HydrophobicContact CD2-CG2 4.25Å; F463-T467 HydrophobicContact CE1-CG2 4.13Å; F463-T467 HydrophobicContact CE2-CG2 3.79Å; F463-T467 HydrophobicContact CZ-CG2 3.73Å; F463-T467 WeakPolarHBondContact O-CB 3.26Å; F463-T467 PolarHBondContact O-N 3.35Å; F463-T467 PolarHBondContact O-OG1 3.49Å; A464-T467 CarbonylContact O-C 3.58Å; A464-T467 PolarHBondContact O-N 2.79Å; I465-T467 PolarHBondContact O-N 3.36Å; T467-N469 PolarHBondContact O-N 3.13Å; T467-K470 PolarHBondContact O-N 2.9Å
468I76.3Confident69.9Low39 Ų3947.5 Ų47.520%0.227%0.27CS..THydrogen-bonded Turntrans-60.4-29.5-176.7-162.2167.6000112.8F314 F369 R370 A464 I465F314-I468 HydrophobicContact CE1-CD1 4.24Å; F314-I468 HydrophobicContact CE1-CG1 4.24Å; F314-I468 HydrophobicContact CE1-CG2 4.25Å; F314-I468 HydrophobicContact CZ-CD1 4.32Å; F369-I468 HydrophobicContact CB-CD1 4.33Å; R370-I468 HydrophobicContact CB-CD1 4.01Å; R370-I468 HydrophobicContact CB-CG1 4.4Å; A464-I468 WeakPolarHBondContact O-CA 3.41Å; A464-I468 PolarHBondContact O-N 3.26Å; A464-I468 VanDerWaalsContact O-N 3.07Å; I465-I468 WeakPolarHBondContact O-CB 3.5Å; I465-I468 WeakPolarHBondContact O-CG2 3.01Å; I465-I468 PolarHBondContact O-N 3.24Å
469N67.9Low67.7Low77 Ų7752.8 Ų52.841%0.41229%0.293SS..THydrogen-bonded Turntrans-83.3-7.2-178.7-71.2-9.3000114.8M315 T467 S471M315-N469 PolarHBondContact SD-ND2 2.79Å; M315-N469 PolarHBondContact SD-OD1 3.11Å; T467-N469 PolarHBondContact O-N 3.13Å; N469-S471 PolarHBondContact O-N 3.38Å
470K67.4Low65.8Low152 Ų15256 Ų5666%0.66131%0.313SS*.  trans-84.4117.2178.2-71.9-168.3175.2-174.70110.4T467T467-K470 PolarHBondContact O-N 2.9Å
471S56Low64.2Low64 Ų6462.2 Ų62.245%0.44835%0.345SS..  trans-88.8-5.4-177.453.90000115.4S320 F321 N469S320-S471 PolarHBondContact OG-O 3.49Å; F321-S471 VanDerWaalsContact CZ-O 3.29Å; F321-S471 WeakPolarHBondContact CZ-O 3.13Å; N469-S471 PolarHBondContact O-N 3.38Å
472G52.4Low62.6Low57 Ų5765.1 Ų65.159%0.58837%0.365SS*.SBendtrans-67.7132.3-176.600000113.9F321 G474F321-G472 WeakPolarHBondContact CZ-O 3.37Å; G472-G474 PolarHBondContact O-N 3.48Å; G472-G474 VanDerWaalsContact O-N 3.14Å
473W46.6Very low61.2Low125 Ų12565.9 Ų65.947%0.47337%0.373SS..  trans-56.8112.7176.5-104.154.2000110.9Y101 T475Y101-W473 HydrophobicContact CD1-CH2 4.42Å; W473-T475 VanDerWaalsContact C-N 3.34Å
474G47.2Very low60.4Low25 Ų2565.5 Ų65.526%0.25837%0.374SS..SBendtrans-85.5-0.4-17900000115G472 N484G472-G474 PolarHBondContact O-N 3.48Å; G472-G474 VanDerWaalsContact O-N 3.14Å; G474-N484 PolarHBondContact O-ND2 3Å
475T49.3Very low60Low31 Ų3171.4 Ų71.419%0.1940%0.4CS..SBendtrans-136.7129179.750.40000108.6N359 W473N359-T475 HydrophobicContact CB-CG2 4.11Å; W473-T475 VanDerWaalsContact C-N 3.34Å
476S47.5Very low59.4Low34 Ų3473.4 Ų73.424%0.23841%0.41CS..  trans-72.8167.117460.10000112.5T480 V482S476-T480 WeakPolarHBondContact CB-O 3.3Å; S476-T480 PolarHBondContact OG-O 3.49Å; S476-V482 PolarHBondContact OG-N 3.09Å
477G47.7Very low58.8Low11 Ų1169.4 Ų69.411%0.11338%0.377CS..  trans-55.6155.9170.600000111.8K479 T480G477-K479 PolarHBondContact O-N 3.22Å; G477-T480 CarbonylContact O-C 3.5Å; G477-T480 PolarHBondContact O-N 3.3Å
478R53Low58.9Low66 Ų6670.9 Ų70.925%0.24938%0.384CS..THydrogen-bonded Turntrans-70-24.6-174.6-57.9-166.4-164.4-159.416.5112.5E103 D224 E349E103-R478 WeakPolarHBondContact OE2-CD 3.37Å; E103-R478 IonicContact OE2-CZ 3.98Å; E103-R478 IonicContact OE2-NE 3.36Å; E103-R478 PolarHBondContact OE2-NE 2.79Å; D224-R478 VanDerWaalsContact CG-CZ 3.47Å; D224-R478 VanDerWaalsContact CG-NH1 3.26Å; D224-R478 IonicContact OD1-CZ 3.16Å; D224-R478 IonicContact OD1-NH2 2.73Å; D224-R478 PolarHBondContact OD1-NH2 3.28Å; D224-R478 IonicContact OD2-CZ 3.9Å; D224-R478 IonicContact OD2-NH1 3.02Å; D224-R478 PolarHBondContact OD2-NH1 3.49Å; D224-R478 IonicContact OD2-NH2 3.85Å; D224-R478 PolarHBondContact OD2-NH2 3.43Å; E349-R478 IonicContact OE2-CZ 2.68Å; E349-R478 IonicContact OE2-NH1 2.95Å; E349-R478 PolarHBondContact OE2-NH1 3.14Å
479K42Very low59.3Low110 Ų11072.3 Ų72.348%0.47839%0.394SS..THydrogen-bonded Turntrans-70.8-30.7173.9-165.1177179.2-174.30113.5Q102 D135 G477Q102-K479 HydrophobicContact CB-CB 4.16Å; Q102-K479 PolarHBondContact O-N 3.21Å; D135-K479 PolarHBondContact O-NZ 2.89Å; G477-K479 PolarHBondContact O-N 3.22Å
480T46.6Very low60.1Low76 Ų7669.2 Ų69.247%0.46638%0.378SS..SBendtrans-124.5103.6-179.351.40000110.5S476 G477 V482S476-T480 WeakPolarHBondContact CB-O 3.3Å; S476-T480 PolarHBondContact OG-O 3.49Å; G477-T480 CarbonylContact O-C 3.5Å; G477-T480 PolarHBondContact O-N 3.3Å; T480-V482 PolarHBondContact O-N 2.68Å
481I54Low61Low129 Ų12962.6 Ų62.666%0.66235%0.35SS*.  trans-81102.8-178.7-57.6174000109.6
482V54.6Low62.5Low98 Ų9863.2 Ų63.259%0.59435%0.351SS*.  trans-93.4121.9170.4-173.60000108.3S476 T480 N484S476-V482 PolarHBondContact OG-N 3.09Å; T480-V482 PolarHBondContact O-N 2.68Å; V482-N484 PolarHBondContact O-N 2.88Å
483V60Low64.3Low83 Ų8365 Ų6550%0.50335%0.346SS..  trans-78.6110.2179.5-169.70000108.9L355 F485L355-V483 HydrophobicContact CD1-CG1 4.16Å; V483-F485 HydrophobicContact CB-CE2 4.09Å; V483-F485 HydrophobicContact CB-CZ 4.34Å; V483-F485 HydrophobicContact CG1-CD1 4.39Å; V483-F485 HydrophobicContact CG1-CD2 4.07Å; V483-F485 HydrophobicContact CG1-CE1 3.84Å; V483-F485 HydrophobicContact CG1-CE2 3.46Å; V483-F485 VanDerWaalsContact CG1-CE2 3.46Å; V483-F485 HydrophobicContact CG1-CZ 3.35Å
484N67.8Low66.4Low40 Ų4059.8 Ų59.821%0.21433%0.327CS..  trans-103.9112.6175.5-173.4-2.3000110.6N359 G474 V482 I486N359-N484 PolarHBondContact ND2-O 3.17Å; G474-N484 PolarHBondContact O-ND2 3Å; V482-N484 PolarHBondContact O-N 2.88Å; N484-I486 VanDerWaalsContact OD1-CB 3.26Å; N484-I486 WeakPolarHBondContact OD1-CB 3.44Å; N484-I486 WeakPolarHBondContact OD1-CD1 3.38Å; N484-I486 WeakPolarHBondContact OD1-CG1 3.47Å; N484-I486 PolarHBondContact OD1-N 2.98Å
485F75.1Confident68.4Low124 Ų12463.5 Ų63.554%0.54434%0.336SS..  trans-88.3-3.6-179-66-78.2000113.9L355 V483 G487 L488L355-F485 HydrophobicContact CD1-CD1 4.27Å; L355-F485 HydrophobicContact CD1-CE1 3.93Å; V483-F485 HydrophobicContact CB-CE2 4.09Å; V483-F485 HydrophobicContact CB-CZ 4.34Å; V483-F485 HydrophobicContact CG1-CD1 4.39Å; V483-F485 HydrophobicContact CG1-CD2 4.07Å; V483-F485 HydrophobicContact CG1-CE1 3.84Å; V483-F485 HydrophobicContact CG1-CE2 3.46Å; V483-F485 VanDerWaalsContact CG1-CE2 3.46Å; V483-F485 HydrophobicContact CG1-CZ 3.35Å; F485-G487 PolarHBondContact O-N 3.35Å; F485-G487 VanDerWaalsContact O-N 3.14Å; F485-L488 HydrophobicContact CD1-CD1 3.85Å; F485-L488 WeakPolarHBondContact O-CB 3.17Å; F485-L488 PolarHBondContact O-N 3.27Å
486I73Confident70.4Confident95 Ų9565.7 Ų65.749%0.48735%0.349SS..THydrogen-bonded Turntrans-56.5-35.2-178.8-67.7168.7000111.4F463 N484 L488 V489 P490F463-I486 HydrophobicContact CE1-CG2 3.76Å; F463-I486 HydrophobicContact CZ-CG2 3.63Å; N484-I486 VanDerWaalsContact OD1-CB 3.26Å; N484-I486 WeakPolarHBondContact OD1-CB 3.44Å; N484-I486 WeakPolarHBondContact OD1-CD1 3.38Å; N484-I486 WeakPolarHBondContact OD1-CG1 3.47Å; N484-I486 PolarHBondContact OD1-N 2.98Å; I486-L488 PolarHBondContact O-N 3.14Å; I486-V489 PolarHBondContact O-N 2.93Å; I486-P490 WeakPolarHBondContact O-CD 3.23Å
487G70.9Confident72.3Confident2 Ų266.9 Ų66.92%0.02135%0.352CS..THydrogen-bonded Turntrans-62-24.4176.400000114.6L358 N359 F485 P490L358-G487 WeakPolarHBondContact CD2-O 3.37Å; N359-G487 WeakPolarHBondContact OD1-CA 3.4Å; N359-G487 PolarHBondContact OD1-N 2.94Å; F485-G487 PolarHBondContact O-N 3.35Å; F485-G487 VanDerWaalsContact O-N 3.14Å; G487-P490 VanDerWaalsContact O-CD 3.32Å; G487-P490 WeakPolarHBondContact O-CD 3.24Å; G487-P490 WeakPolarHBondContact O-CG 3.26Å
488L81.8Confident74.2Confident51 Ų5167.4 Ų67.427%0.26735%0.352SS..Hα-helixtrans-76.9-28.1178.7-71.3-176.8000113.5Y354 L355 L358 F485 I486 I491 T492Y354-L488 HydrophobicContact CE1-CD2 4.46Å; L355-L488 HydrophobicContact CD2-CD1 3.69Å; L355-L488 HydrophobicContact CD2-CD2 3.49Å; L355-L488 VanDerWaalsContact CD2-CD2 3.49Å; L355-L488 HydrophobicContact CD2-CG 3.44Å; L355-L488 VanDerWaalsContact CD2-CG 3.44Å; L358-L488 HydrophobicContact CD2-CD2 4.26Å; F485-L488 HydrophobicContact CD1-CD1 3.85Å; F485-L488 WeakPolarHBondContact O-CB 3.17Å; F485-L488 PolarHBondContact O-N 3.27Å; I486-L488 PolarHBondContact O-N 3.14Å; L488-I491 WeakPolarHBondContact O-CA 3.28Å; L488-I491 WeakPolarHBondContact O-CB 3.31Å; L488-I491 PolarHBondContact O-N 3.44Å; L488-T492 PolarHBondContact O-N 2.94Å; L488-T492 PolarHBondContact O-OG1 2.91Å
489V83.6Confident76Confident69 Ų6970.5 Ų70.542%0.41837%0.368SS..Hα-helixtrans-51.7-50.3-178.1177.80000113I486 I491 T492 I493I486-V489 PolarHBondContact O-N 2.93Å; V489-I491 VanDerWaalsContact C-N 3.26Å; V489-I491 PolarHBondContact O-N 3.38Å; V489-T492 PolarHBondContact O-N 3.36Å; V489-T492 PolarHBondContact O-OG1 3.07Å; V489-I493 HydrophobicContact CG1-CD1 3.92Å; V489-I493 WeakPolarHBondContact O-CG1 3.36Å; V489-I493 PolarHBondContact O-N 3.2Å; V489-I493 VanDerWaalsContact O-N 3.11Å
490P84.8Confident78.2Confident11 Ų1169.7 Ų69.77%0.07137%0.368CS..Hα-helixtrans-67.7-27.9178.827.5-37.5000113.5P459 F463 I486 G487 W494P459-P490 HydrophobicContact CB-CB 4.22Å; P459-P490 WeakPolarHBondContact CB-O 3.25Å; F463-P490 HydrophobicContact CB-CB 3.61Å; F463-P490 HydrophobicContact CB-CG 3.73Å; F463-P490 HydrophobicContact CD1-CG 4.16Å; F463-P490 HydrophobicContact CD2-CB 4.2Å; F463-P490 HydrophobicContact CD2-CG 4.23Å; F463-P490 HydrophobicContact CG-CB 3.99Å; F463-P490 HydrophobicContact CG-CG 3.77Å; I486-P490 WeakPolarHBondContact O-CD 3.23Å; G487-P490 VanDerWaalsContact O-CD 3.32Å; G487-P490 WeakPolarHBondContact O-CD 3.24Å; G487-P490 WeakPolarHBondContact O-CG 3.26Å; P490-W494 WeakPolarHBondContact O-CB 3.29Å; P490-W494 PolarHBondContact O-N 3.04Å
491I87.5Confident80Confident13 Ų1366 Ų667%0.06735%0.346CS..Hα-helixtrans-70.6-45176.5-63.4-168.6000110.5Y354 L358 P459 L488 V489 I493 W494 F495Y354-I491 HydrophobicContact CE1-CD1 4.45Å; Y354-I491 WeakPolarHBondContact OH-CD1 3.39Å; L358-I491 HydrophobicContact CD1-CD1 3.82Å; L358-I491 HydrophobicContact CD2-CD1 3.29Å; L358-I491 HydrophobicContact CD2-CG1 4.16Å; L358-I491 HydrophobicContact CG-CD1 4.19Å; P459-I491 HydrophobicContact CG-CG1 4.26Å; L488-I491 WeakPolarHBondContact O-CA 3.28Å; L488-I491 WeakPolarHBondContact O-CB 3.31Å; L488-I491 PolarHBondContact O-N 3.44Å; V489-I491 VanDerWaalsContact C-N 3.26Å; V489-I491 PolarHBondContact O-N 3.38Å; I491-I493 VanDerWaalsContact C-N 3.33Å; I491-I493 PolarHBondContact O-N 3.2Å; I491-W494 WeakPolarHBondContact O-CB 3.49Å; I491-W494 PolarHBondContact O-N 2.67Å; I491-F495 HydrophobicContact CG2-CD2 3.5Å; I491-F495 HydrophobicContact CG2-CE2 3.53Å; I491-F495 VanDerWaalsContact O-CD2 3.28Å; I491-F495 WeakPolarHBondContact O-CD2 3.35Å; I491-F495 PolarHBondContact O-N 3.28Å
492T88.1Confident81.5Confident78 Ų7862.5 Ų62.548%0.47933%0.327SS..Hα-helixtrans-63.7-41.7178.955.80000111L488 V489 T496L488-T492 PolarHBondContact O-N 2.94Å; L488-T492 PolarHBondContact O-OG1 2.91Å; V489-T492 PolarHBondContact O-N 3.36Å; V489-T492 PolarHBondContact O-OG1 3.07Å; T492-T496 WeakPolarHBondContact O-CB 3.34Å; T492-T496 PolarHBondContact O-N 3.04Å; T492-T496 PolarHBondContact O-OG1 2.99Å
493I88.8Confident83Confident93 Ų9361.5 Ų61.548%0.47732%0.318SS..Hα-helixtrans-60.5-47.5174.4-67168.1000110.5V489 I491 T496 I497V489-I493 HydrophobicContact CG1-CD1 3.92Å; V489-I493 WeakPolarHBondContact O-CG1 3.36Å; V489-I493 PolarHBondContact O-N 3.2Å; V489-I493 VanDerWaalsContact O-N 3.11Å; I491-I493 VanDerWaalsContact C-N 3.33Å; I491-I493 PolarHBondContact O-N 3.2Å; I493-T496 PolarHBondContact O-N 3.45Å; I493-I497 HydrophobicContact CG2-CD1 3.79Å; I493-I497 HydrophobicContact CG2-CG1 4.47Å; I493-I497 WeakPolarHBondContact O-CG1 3.42Å; I493-I497 PolarHBondContact O-N 2.91Å
494W91Very high84.2Confident17 Ų1763.2 Ų63.26%0.06432%0.316CS..Hα-helixtrans-58.1-50.7179.3178.4-113.9000112.8I401 A404 I405 M454 P459 P490 I491 T496 I497 L498I401-W494 HydrophobicContact CB-CH2 4.43Å; I401-W494 HydrophobicContact CG1-CH2 4.07Å; I401-W494 HydrophobicContact CG1-CZ3 4.23Å; I401-W494 HydrophobicContact CG2-CH2 4.29Å; I401-W494 HydrophobicContact CG2-CZ3 3.95Å; A404-W494 HydrophobicContact CB-CH2 3.99Å; A404-W494 HydrophobicContact CB-CZ2 4.32Å; I405-W494 HydrophobicContact CD1-CZ3 4.38Å; I405-W494 HydrophobicContact CG1-CZ3 4.31Å; M454-W494 PolarHBondContact O-NE1 2.98Å; M454-W494 VanDerWaalsContact O-NE1 3.11Å; P459-W494 HydrophobicContact CB-CB 3.7Å; P459-W494 HydrophobicContact CB-CD2 4.39Å; P459-W494 HydrophobicContact CB-CG 3.93Å; P459-W494 HydrophobicContact CG-CB 3.96Å; P459-W494 HydrophobicContact CG-CD2 4.48Å; P459-W494 HydrophobicContact CG-CG 3.86Å; P490-W494 WeakPolarHBondContact O-CB 3.29Å; P490-W494 PolarHBondContact O-N 3.04Å; I491-W494 WeakPolarHBondContact O-CB 3.49Å; I491-W494 PolarHBondContact O-N 2.67Å; W494-T496 VanDerWaalsContact C-N 3.31Å; W494-T496 PolarHBondContact O-N 3.43Å; W494-I497 PolarHBondContact O-N 3.18Å; W494-L498 HydrophobicContact CD2-CD1 4.23Å; W494-L498 HydrophobicContact CD2-CG 4.47Å; W494-L498 HydrophobicContact CG-CD1 4.48Å; W494-L498 HydrophobicContact CZ2-CD1 3.9Å; W494-L498 HydrophobicContact CZ2-CD2 4.39Å; W494-L498 HydrophobicContact CZ2-CG 4.43Å; W494-L498 WeakPolarHBondContact O-CG 3.24Å; W494-L498 PolarHBondContact O-N 3.03Å
495F89.7Confident84.9Confident102 Ų10261.3 Ų61.345%0.44731%0.306SS..Hα-helixtrans-66.2-34.3177.9-81.4-70.4000112.6I491 L498 F499I491-F495 HydrophobicContact CG2-CD2 3.5Å; I491-F495 HydrophobicContact CG2-CE2 3.53Å; I491-F495 VanDerWaalsContact O-CD2 3.28Å; I491-F495 WeakPolarHBondContact O-CD2 3.35Å; I491-F495 PolarHBondContact O-N 3.28Å; F495-L498 PolarHBondContact O-N 3.31Å; F495-F499 WeakPolarHBondContact O-CB 3.43Å; F495-F499 PolarHBondContact O-N 2.96Å
496T90.1Very high85.2Confident77 Ų7758.8 Ų58.847%0.47230%0.298SS..Hα-helixtrans-62.4-46.2174.9-57.90000111T492 I493 W494 F499 I500T492-T496 WeakPolarHBondContact O-CB 3.34Å; T492-T496 PolarHBondContact O-N 3.04Å; T492-T496 PolarHBondContact O-OG1 2.99Å; I493-T496 PolarHBondContact O-N 3.45Å; W494-T496 VanDerWaalsContact C-N 3.31Å; W494-T496 PolarHBondContact O-N 3.43Å; T496-F499 PolarHBondContact O-N 3.27Å; T496-I500 HydrophobicContact CG2-CD1 3.79Å; T496-I500 HydrophobicContact CG2-CG1 4.47Å; T496-I500 WeakPolarHBondContact O-CB 3.44Å; T496-I500 VanDerWaalsContact O-CG1 3.25Å; T496-I500 WeakPolarHBondContact O-CG1 3.22Å; T496-I500 PolarHBondContact O-N 3.37Å
497I88.9Confident85.6Confident60 Ų6057.7 Ų57.731%0.30830%0.295SS..Hα-helixtrans-61.3-47.8178-69.1167.6000110.8I405 F409 I493 W494 F499 I500 G501I405-I497 HydrophobicContact CG1-CG2 4.49Å; F409-I497 HydrophobicContact CE2-CG2 3.92Å; F409-I497 HydrophobicContact CZ-CG2 4.33Å; I493-I497 HydrophobicContact CG2-CD1 3.79Å; I493-I497 HydrophobicContact CG2-CG1 4.47Å; I493-I497 WeakPolarHBondContact O-CG1 3.42Å; I493-I497 PolarHBondContact O-N 2.91Å; W494-I497 PolarHBondContact O-N 3.18Å; I497-F499 VanDerWaalsContact C-N 3.34Å; I497-F499 PolarHBondContact O-N 3.11Å; I497-I500 PolarHBondContact O-N 2.93Å; I497-G501 PolarHBondContact O-N 3Å
498L87.8Confident86Confident21 Ų2162 Ų6211%0.1132%0.315CS..Hα-helixtrans-65.8-37.3179.3-66.8-179.3000112.2F408 W494 F495 G501 L502F408-L498 HydrophobicContact CB-CD2 4.33Å; F408-L498 HydrophobicContact CD1-CB 4.12Å; F408-L498 HydrophobicContact CD1-CD2 3.98Å; F408-L498 VanDerWaalsContact CD1-O 3.24Å; F408-L498 WeakPolarHBondContact CD1-O 3.48Å; F408-L498 HydrophobicContact CD2-CD2 3.89Å; F408-L498 HydrophobicContact CE1-CB 4.01Å; F408-L498 HydrophobicContact CE1-CD2 4.18Å; F408-L498 HydrophobicContact CE2-CD2 4.07Å; F408-L498 HydrophobicContact CG-CD2 3.8Å; F408-L498 HydrophobicContact CZ-CD2 4.21Å; W494-L498 HydrophobicContact CD2-CD1 4.23Å; W494-L498 HydrophobicContact CD2-CG 4.47Å; W494-L498 HydrophobicContact CG-CD1 4.48Å; W494-L498 HydrophobicContact CZ2-CD1 3.9Å; W494-L498 HydrophobicContact CZ2-CD2 4.39Å; W494-L498 HydrophobicContact CZ2-CG 4.43Å; W494-L498 WeakPolarHBondContact O-CG 3.24Å; W494-L498 PolarHBondContact O-N 3.03Å; F495-L498 PolarHBondContact O-N 3.31Å; L498-G501 PolarHBondContact O-N 3.13Å; L498-L502 WeakPolarHBondContact O-CB 3.43Å; L498-L502 PolarHBondContact O-N 3.03Å
499F89Confident85.6Confident131 Ų13160.9 Ų60.958%0.57531%0.308SS*.Hα-helixtrans-68.1-42.7178.4-173.3-107.4000111.9F495 T496 I497 G501 L502 I503F495-F499 WeakPolarHBondContact O-CB 3.43Å; F495-F499 PolarHBondContact O-N 2.96Å; T496-F499 PolarHBondContact O-N 3.27Å; I497-F499 VanDerWaalsContact C-N 3.34Å; I497-F499 PolarHBondContact O-N 3.11Å; F499-G501 VanDerWaalsContact C-N 3.35Å; F499-L502 PolarHBondContact O-N 3.25Å; F499-I503 HydrophobicContact CD1-CD1 3.72Å; F499-I503 HydrophobicContact CE1-CD1 3.28Å; F499-I503 HydrophobicContact CE1-CG1 4.31Å; F499-I503 HydrophobicContact CE2-CD1 4.44Å; F499-I503 HydrophobicContact CG-CD1 4.47Å; F499-I503 HydrophobicContact CZ-CD1 3.7Å; F499-I503 HydrophobicContact CZ-CG1 4.38Å; F499-I503 WeakPolarHBondContact O-CG1 3.3Å; F499-I503 PolarHBondContact O-N 2.97Å
500I89.1Confident85.1Confident93 Ų9362.9 Ų62.948%0.47732%0.321SS..Hα-helixtrans-61.3-45173.3-68.8167.3000110.5F409 T496 I497 I503 Y504F409-I500 HydrophobicContact CE1-CG2 4.36Å; F409-I500 HydrophobicContact CZ-CG2 4.35Å; T496-I500 HydrophobicContact CG2-CD1 3.79Å; T496-I500 HydrophobicContact CG2-CG1 4.47Å; T496-I500 WeakPolarHBondContact O-CB 3.44Å; T496-I500 VanDerWaalsContact O-CG1 3.25Å; T496-I500 WeakPolarHBondContact O-CG1 3.22Å; T496-I500 PolarHBondContact O-N 3.37Å; I497-I500 PolarHBondContact O-N 2.93Å; I500-I503 PolarHBondContact O-N 3.34Å; I500-Y504 WeakPolarHBondContact O-CB 3.49Å; I500-Y504 PolarHBondContact O-N 3Å
501G84.4Confident84.5Confident0 Ų070.3 Ų70.30%035%0.352CS..Hα-helixtrans-59-47.4175.300000112F408 I497 L498 F499 I503 Y504 T505F408-G501 CarbonylContact O-C 3.54Å; F408-G501 VanDerWaalsContact O-CA 3.25Å; F408-G501 WeakPolarHBondContact O-CA 3.18Å; I497-G501 PolarHBondContact O-N 3Å; L498-G501 PolarHBondContact O-N 3.13Å; F499-G501 VanDerWaalsContact C-N 3.35Å; G501-I503 PolarHBondContact O-N 3.25Å; G501-Y504 WeakPolarHBondContact O-CB 3.48Å; G501-Y504 PolarHBondContact O-N 2.86Å; G501-Y504 VanDerWaalsContact O-N 3.12Å; G501-T505 PolarHBondContact O-N 3.05Å; G501-T505 PolarHBondContact O-OG1 2.61Å
502L85.5Confident83.4Confident54 Ų5477.4 Ų77.428%0.28338%0.383SS..Hα-helixtrans-58.7-46.7177.7-17667.8000112F408 L413 I416 L498 F499 Y504 T505 I506F408-L502 HydrophobicContact CD1-CB 4.26Å; F408-L502 HydrophobicContact CE1-CB 4.36Å; L413-L502 HydrophobicContact CD2-CD1 3.96Å; I416-L502 HydrophobicContact CD1-CD1 4.21Å; L498-L502 WeakPolarHBondContact O-CB 3.43Å; L498-L502 PolarHBondContact O-N 3.03Å; F499-L502 PolarHBondContact O-N 3.25Å; L502-Y504 VanDerWaalsContact C-N 3.33Å; L502-Y504 PolarHBondContact O-N 2.86Å; L502-T505 PolarHBondContact O-N 3.39Å; L502-I506 HydrophobicContact CD1-CD1 4.25Å; L502-I506 HydrophobicContact CG-CD1 3.91Å; L502-I506 WeakPolarHBondContact O-CB 3.47Å; L502-I506 WeakPolarHBondContact O-CG1 3.23Å; L502-I506 PolarHBondContact O-N 2.57Å
503I85.4Confident82.1Confident78 Ų7879.8 Ų79.840%0.440%0.399SS..Hα-helixtrans-60.6-45.1175.5-70.5172000110.4F499 I500 G501 T505 I506 V507F499-I503 HydrophobicContact CD1-CD1 3.72Å; F499-I503 HydrophobicContact CE1-CD1 3.28Å; F499-I503 HydrophobicContact CE1-CG1 4.31Å; F499-I503 HydrophobicContact CE2-CD1 4.44Å; F499-I503 HydrophobicContact CG-CD1 4.47Å; F499-I503 HydrophobicContact CZ-CD1 3.7Å; F499-I503 HydrophobicContact CZ-CG1 4.38Å; F499-I503 WeakPolarHBondContact O-CG1 3.3Å; F499-I503 PolarHBondContact O-N 2.97Å; I500-I503 PolarHBondContact O-N 3.34Å; G501-I503 PolarHBondContact O-N 3.25Å; I503-T505 PolarHBondContact O-N 3.29Å; I503-I506 PolarHBondContact O-N 3.19Å; I503-V507 HydrophobicContact CG2-CG2 4.15Å; I503-V507 WeakPolarHBondContact O-CB 3.41Å; I503-V507 VanDerWaalsContact O-CG2 3.27Å; I503-V507 WeakPolarHBondContact O-CG2 3.45Å; I503-V507 PolarHBondContact O-N 2.93Å
504Y85.2Confident80.8Confident118 Ų11880.1 Ų80.146%0.46340%0.397SS..Hα-helixtrans-58.5-48.9178.9178-92.9000111.6F409 I500 G501 L502 I506 V507 Q508F409-Y504 VanDerWaalsContact O-CE1 3.28Å; F409-Y504 WeakPolarHBondContact O-CE1 3.49Å; I500-Y504 WeakPolarHBondContact O-CB 3.49Å; I500-Y504 PolarHBondContact O-N 3Å; G501-Y504 WeakPolarHBondContact O-CB 3.48Å; G501-Y504 PolarHBondContact O-N 2.86Å; G501-Y504 VanDerWaalsContact O-N 3.12Å; L502-Y504 VanDerWaalsContact C-N 3.33Å; L502-Y504 PolarHBondContact O-N 2.86Å; Y504-I506 PolarHBondContact O-N 2.85Å; Y504-V507 PolarHBondContact O-N 2.99Å; Y504-Q508 WeakPolarHBondContact O-CB 3.44Å; Y504-Q508 PolarHBondContact O-N 2.8Å
505T82.6Confident79.7Confident0 Ų082.3 Ų82.30%041%0.414CS..Hα-helixtrans-61.7-43.7177-66.80000111.7F408 G411 L413 I416 G501 L502 I503 Q508 Q509F408-T505 PolarHBondContact O-OG1 3.28Å; G411-T505 WeakPolarHBondContact O-CG2 3.13Å; L413-T505 HydrophobicContact CG-CG2 4.36Å; I416-T505 HydrophobicContact CD1-CG2 4.42Å; G501-T505 PolarHBondContact O-N 3.05Å; G501-T505 PolarHBondContact O-OG1 2.61Å; L502-T505 PolarHBondContact O-N 3.39Å; I503-T505 PolarHBondContact O-N 3.29Å; T505-Q508 PolarHBondContact O-N 2.83Å; T505-Q509 WeakPolarHBondContact O-CB 3.3Å; T505-Q509 WeakPolarHBondContact O-CG 3.29Å; T505-Q509 PolarHBondContact O-N 2.88Å
506I82.3Confident78.7Confident71 Ų7185.2 Ų85.236%0.36443%0.429SS..Hα-helixtrans-60-50.9176.5-70.3166.8000110L413 L502 I503 Y504 Q508 Q509 T510L413-I506 HydrophobicContact CD1-CG1 4.29Å; L413-I506 HydrophobicContact CD2-CG1 4.02Å; L413-I506 HydrophobicContact CG-CG1 4.49Å; L502-I506 HydrophobicContact CD1-CD1 4.25Å; L502-I506 HydrophobicContact CG-CD1 3.91Å; L502-I506 WeakPolarHBondContact O-CB 3.47Å; L502-I506 WeakPolarHBondContact O-CG1 3.23Å; L502-I506 PolarHBondContact O-N 2.57Å; I503-I506 PolarHBondContact O-N 3.19Å; Y504-I506 PolarHBondContact O-N 2.85Å; I506-Q508 VanDerWaalsContact C-N 3.31Å; I506-Q508 PolarHBondContact O-N 2.92Å; I506-Q509 PolarHBondContact O-N 3.42Å; I506-Q509 VanDerWaalsContact O-N 3.14Å; I506-T510 PolarHBondContact O-N 3.16Å; I506-T510 PolarHBondContact O-OG1 2.96Å
507V82.1Confident77.7Confident72 Ų7284 Ų8444%0.43642%0.424SS..Hα-helixtrans-61.3-39.81801700000111.6I503 Y504 Q509 K511I503-V507 HydrophobicContact CG2-CG2 4.15Å; I503-V507 WeakPolarHBondContact O-CB 3.41Å; I503-V507 VanDerWaalsContact O-CG2 3.27Å; I503-V507 WeakPolarHBondContact O-CG2 3.45Å; I503-V507 PolarHBondContact O-N 2.93Å; Y504-V507 PolarHBondContact O-N 2.99Å; V507-Q509 VanDerWaalsContact C-N 3.34Å; V507-K511 WeakPolarHBondContact O-CG 3.27Å
508Q77.7Confident76.9Confident92 Ų9282.1 Ų82.143%0.4341%0.414SS..Hα-helixtrans-68.5-34.9178-165.2-179.430.700111.8Y504 T505 I506Y504-Q508 WeakPolarHBondContact O-CB 3.44Å; Y504-Q508 PolarHBondContact O-N 2.8Å; T505-Q508 PolarHBondContact O-N 2.83Å; I506-Q508 VanDerWaalsContact C-N 3.31Å; I506-Q508 PolarHBondContact O-N 2.92Å
509Q74.5Confident76.2Confident28 Ų2885.8 Ų85.813%0.13143%0.43CS..Hα-helixtrans-77.5-35.7176.9-75.6-171.9-64.400112.9L413 T505 I506 V507 K511 K512L413-Q509 VanDerWaalsContact CB-OE1 3.31Å; L413-Q509 VanDerWaalsContact CD1-OE1 3.27Å; T505-Q509 WeakPolarHBondContact O-CB 3.3Å; T505-Q509 WeakPolarHBondContact O-CG 3.29Å; T505-Q509 PolarHBondContact O-N 2.88Å; I506-Q509 PolarHBondContact O-N 3.42Å; I506-Q509 VanDerWaalsContact O-N 3.14Å; V507-Q509 VanDerWaalsContact C-N 3.34Å; Q509-K511 PolarHBondContact O-N 3.4Å; Q509-K511 VanDerWaalsContact O-N 3.07Å; Q509-K512 CarbonylContact O-C 3.59Å; Q509-K512 PolarHBondContact O-N 3.31Å
510T72.2Confident75.7Confident112 Ų11284.6 Ų84.669%0.68743%0.429SS*.Hα-helixtrans-60.1-23173.8-50.20000112.3I506 K512I506-T510 PolarHBondContact O-N 3.16Å; I506-T510 PolarHBondContact O-OG1 2.96Å; T510-K512 VanDerWaalsContact C-N 3.31Å; T510-K512 PolarHBondContact O-N 2.94Å
511K72.5Confident75.2Confident166 Ų16682 Ų8272%0.72242%0.417SS*.THydrogen-bonded Turntrans-77.1-9.7175.1-68.4176.8-178.7-1760114.2V507 Q509V507-K511 WeakPolarHBondContact O-CG 3.27Å; Q509-K511 PolarHBondContact O-N 3.4Å; Q509-K511 VanDerWaalsContact O-N 3.07Å
512K65.3Low75Confident163 Ų16384.4 Ų84.471%0.70943%0.43SS*.SBendtrans-131.1122.5178.4-69.8-175.2177.5-178.30109.8Q509 T510Q509-K512 CarbonylContact O-C 3.59Å; Q509-K512 PolarHBondContact O-N 3.31Å; T510-K512 VanDerWaalsContact C-N 3.31Å; T510-K512 PolarHBondContact O-N 2.94Å
513P59.5Low74.9Confident127 Ų12786.3 Ų86.383%0.82544%0.439SS*.PPolyproline II helixtrans-60.1143.5-177.423-31.5000112.2
514F61Low74.8Confident100 Ų10086.6 Ų86.644%0.43944%0.444SS..PPolyproline II helixtrans-64.3131.4176.9-77.7-86000110.8
515P69.2Low74.6Confident64 Ų6481.2 Ų81.242%0.41643%0.425SS..PPolyproline II helixtrans-66132156.7-10.826.1000108.5S517 E518 E519P515-S517 PolarHBondContact O-N 3.21Å; P515-E518 HydrophobicContact CB-CG 4.17Å; P515-E518 HydrophobicContact CG-CG 3.91Å; P515-E518 PolarHBondContact O-N 2.95Å; P515-E519 PolarHBondContact O-N 2.86Å
516Q68.7Low74.7Confident162 Ų16283.3 Ų83.376%0.75744%0.442SS*.Hα-helixtrans-53.1-30.3-178.6-74.6178.4-21.200113.4I520Q516-I520 WeakPolarHBondContact O-CG1 3.38Å; Q516-I520 PolarHBondContact O-N 3.25Å
517S69.7Low75Confident53 Ų5384.3 Ų84.337%0.37145%0.451SS..Hα-helixtrans-67.8-33.9176.460.10000113.6Y52 P515 V521Y52-S517 PolarHBondContact OH-OG 2.96Å; P515-S517 PolarHBondContact O-N 3.21Å; S517-V521 VanDerWaalsContact O-CG2 3.26Å; S517-V521 WeakPolarHBondContact O-CG2 3.25Å; S517-V521 PolarHBondContact O-N 2.83Å
518E71Confident75.1Confident20 Ų2084.4 Ų84.49%0.09345%0.452CS..Hα-helixtrans-72.6-36.6178.2-61.6-157.5146.700111.8Y52 R412 P515 V521 L522Y52-E518 HydrophobicContact CE1-CG 3.94Å; Y52-E518 WeakPolarHBondContact OH-CG 3.39Å; R412-E518 IonicContact CZ-OE1 3.88Å; R412-E518 IonicContact NH1-OE1 3.2Å; R412-E518 PolarHBondContact NH1-OE1 2.61Å; P515-E518 HydrophobicContact CB-CG 4.17Å; P515-E518 HydrophobicContact CG-CG 3.91Å; P515-E518 PolarHBondContact O-N 2.95Å; E518-V521 PolarHBondContact O-N 2.95Å; E518-L522 VanDerWaalsContact O-CB 3.26Å; E518-L522 WeakPolarHBondContact O-CB 3.02Å; E518-L522 PolarHBondContact O-N 3.41Å
519E74.4Confident75.5Confident97 Ų9782.7 Ų82.745%0.45344%0.442SS..Hα-helixtrans-64.1-45178.7-170.7174.8-17400111.1P515 V521 L522 I523P515-E519 PolarHBondContact O-N 2.86Å; E519-V521 PolarHBondContact O-N 3.1Å; E519-L522 PolarHBondContact O-N 2.85Å; E519-I523 HydrophobicContact CG-CD1 4.08Å; E519-I523 VanDerWaalsContact O-CG1 3.29Å; E519-I523 WeakPolarHBondContact O-CG1 3.36Å; E519-I523 PolarHBondContact O-N 3.49Å
520I77.1Confident76Confident107 Ų10783.7 Ų83.755%0.54946%0.455SS..Hα-helixtrans-59.9-47.8176-65.6166.5000110.7Q516 L522 I523 V524Q516-I520 WeakPolarHBondContact O-CG1 3.38Å; Q516-I520 PolarHBondContact O-N 3.25Å; I520-L522 VanDerWaalsContact C-N 3.31Å; I520-L522 PolarHBondContact O-N 2.98Å; I520-I523 PolarHBondContact O-N 2.52Å; I520-V524 HydrophobicContact CG2-CG2 4.39Å; I520-V524 WeakPolarHBondContact O-CB 3.39Å; I520-V524 VanDerWaalsContact O-CG2 3.27Å; I520-V524 WeakPolarHBondContact O-CG2 3.46Å; I520-V524 PolarHBondContact O-N 3.2Å
521V79.4Confident76.6Confident39 Ų3980.7 Ų80.724%0.23644%0.439CS..Hα-helixtrans-64.8-37.5-178.9173.40000111.2W414 S517 E518 E519 G525W414-V521 HydrophobicContact CD2-CG1 3.69Å; W414-V521 HydrophobicContact CE3-CG1 3.6Å; W414-V521 HydrophobicContact CH2-CG1 3.35Å; W414-V521 HydrophobicContact CZ2-CG1 3.43Å; W414-V521 VanDerWaalsContact CZ2-CG1 3.43Å; W414-V521 HydrophobicContact CZ3-CG1 3.44Å; W414-V521 VanDerWaalsContact CZ3-CG1 3.44Å; W414-V521 VanDerWaalsContact CZ3-O 3.28Å; W414-V521 WeakPolarHBondContact CZ3-O 3.23Å; S517-V521 VanDerWaalsContact O-CG2 3.26Å; S517-V521 WeakPolarHBondContact O-CG2 3.25Å; S517-V521 PolarHBondContact O-N 2.83Å; E518-V521 PolarHBondContact O-N 2.95Å; E519-V521 PolarHBondContact O-N 3.1Å; V521-G525 PolarHBondContact O-N 2.83Å
522L80.5Confident77.3Confident50 Ų5074.3 Ų74.326%0.26241%0.41SS..Hα-helixtrans-67.3-43.3176.5-170.9137.4000112.2L413 L417 E518 E519 I520 A526L413-L522 HydrophobicContact CB-CD1 3.69Å; L417-L522 HydrophobicContact CD2-CG 4.42Å; E518-L522 VanDerWaalsContact O-CB 3.26Å; E518-L522 WeakPolarHBondContact O-CB 3.02Å; E518-L522 PolarHBondContact O-N 3.41Å; E519-L522 PolarHBondContact O-N 2.85Å; I520-L522 VanDerWaalsContact C-N 3.31Å; I520-L522 PolarHBondContact O-N 2.98Å; L522-A526 VanDerWaalsContact O-CB 3.25Å; L522-A526 WeakPolarHBondContact O-CB 3.02Å; L522-A526 PolarHBondContact O-N 3.17Å
523I81.9Confident78.2Confident93 Ų9369.3 Ų69.348%0.47739%0.387SS..Hα-helixtrans-62.6-49.3175.3-68166.2000110.2E519 I520 G525 A526 V527E519-I523 HydrophobicContact CG-CD1 4.08Å; E519-I523 VanDerWaalsContact O-CG1 3.29Å; E519-I523 WeakPolarHBondContact O-CG1 3.36Å; E519-I523 PolarHBondContact O-N 3.49Å; I520-I523 PolarHBondContact O-N 2.52Å; I523-G525 PolarHBondContact O-N 3.06Å; I523-A526 PolarHBondContact O-N 3.47Å; I523-V527 HydrophobicContact CG2-CG2 4.45Å; I523-V527 VanDerWaalsContact O-CG2 3.32Å; I523-V527 WeakPolarHBondContact O-CG2 2.99Å; I523-V527 PolarHBondContact O-N 3.22Å
524V84.3Confident79.5Confident85 Ų8567.6 Ų67.652%0.51537%0.374SS..Hα-helixtrans-60.1-47.6179.31720000110.7I520 A526 V527 V528I520-V524 HydrophobicContact CG2-CG2 4.39Å; I520-V524 WeakPolarHBondContact O-CB 3.39Å; I520-V524 VanDerWaalsContact O-CG2 3.27Å; I520-V524 WeakPolarHBondContact O-CG2 3.46Å; I520-V524 PolarHBondContact O-N 3.2Å; V524-A526 VanDerWaalsContact C-N 3.31Å; V524-A526 PolarHBondContact O-N 3.02Å; V524-V527 PolarHBondContact O-N 3.01Å; V524-V528 HydrophobicContact CG1-CG2 4.48Å; V524-V528 WeakPolarHBondContact O-CG2 3.2Å; V524-V528 PolarHBondContact O-N 3.25Å
525G81.1Confident80.6Confident5 Ų567.4 Ų67.45%0.05238%0.376CS..Hα-helixtrans-61.1-38.8177.200000113V521 I523 V528 Y529V521-G525 PolarHBondContact O-N 2.83Å; I523-G525 PolarHBondContact O-N 3.06Å; G525-V528 PolarHBondContact O-N 2.66Å; G525-Y529 WeakPolarHBondContact O-CB 3.44Å; G525-Y529 PolarHBondContact O-N 2.86Å
526A84.4Confident81.1Confident44 Ų4464.7 Ų64.736%0.36436%0.358SS..Hα-helixtrans-68.2-39.8178.500000111.3L417 L522 I523 V524 Y529 A530L417-A526 HydrophobicContact CD2-CB 4.42Å; L522-A526 VanDerWaalsContact O-CB 3.25Å; L522-A526 WeakPolarHBondContact O-CB 3.02Å; L522-A526 PolarHBondContact O-N 3.17Å; I523-A526 PolarHBondContact O-N 3.47Å; V524-A526 VanDerWaalsContact C-N 3.31Å; V524-A526 PolarHBondContact O-N 3.02Å; A526-Y529 PolarHBondContact O-N 3.31Å; A526-A530 VanDerWaalsContact O-CB 3.26Å; A526-A530 WeakPolarHBondContact O-CB 3.13Å; A526-A530 PolarHBondContact O-N 3.44Å
527V87.6Confident81.8Confident91 Ų9160.8 Ų60.855%0.55234%0.342SS*.Hα-helixtrans-64.9-42.7174.2172.20000111I523 V524 A530 S531I523-V527 HydrophobicContact CG2-CG2 4.45Å; I523-V527 VanDerWaalsContact O-CG2 3.32Å; I523-V527 WeakPolarHBondContact O-CG2 2.99Å; I523-V527 PolarHBondContact O-N 3.22Å; V524-V527 PolarHBondContact O-N 3.01Å; V527-A530 PolarHBondContact O-N 3.25Å; V527-S531 VanDerWaalsContact O-CB 3.26Å; V527-S531 WeakPolarHBondContact O-CB 3.42Å; V527-S531 PolarHBondContact O-N 2.91Å; V527-S531 PolarHBondContact O-OG 3.41Å
528V85.9Confident82.4Confident75 Ų7561.8 Ų61.846%0.45535%0.346SS..Hα-helixtrans-61.6-45.8175.2171.40000110.7L421 V524 G525 S531 Y532L421-V528 HydrophobicContact CD2-CG1 4.08Å; V524-V528 HydrophobicContact CG1-CG2 4.48Å; V524-V528 WeakPolarHBondContact O-CG2 3.2Å; V524-V528 PolarHBondContact O-N 3.25Å; G525-V528 PolarHBondContact O-N 2.66Å; V528-S531 WeakPolarHBondContact CA-OG 3.45Å; V528-S531 PolarHBondContact O-OG 3.45Å; V528-Y532 WeakPolarHBondContact O-CB 3.39Å; V528-Y532 PolarHBondContact O-N 2.69Å
529Y84.8Confident82.9Confident56 Ų5664.2 Ų64.222%0.2236%0.359CS..Hα-helixtrans-62.6-46.3177.4-170.7-99.1000112L417 L420 L421 Q424 G525 A526 Y532 W533L417-Y529 HydrophobicContact CD1-CG 4.42Å; L420-Y529 HydrophobicContact CB-CD2 4.45Å; L420-Y529 HydrophobicContact CB-CE2 3.79Å; L420-Y529 HydrophobicContact CD1-CE2 4.49Å; L421-Y529 HydrophobicContact CD2-CD2 4.02Å; L421-Y529 HydrophobicContact CG-CD2 4.45Å; Q424-Y529 HydrophobicContact CG-CE2 4.38Å; Q424-Y529 VanDerWaalsContact NE2-CZ 3.3Å; Q424-Y529 PolarHBondContact NE2-OH 2.87Å; Q424-Y529 VanDerWaalsContact OE1-CD2 3.24Å; Q424-Y529 VanDerWaalsContact OE1-CE2 3.3Å; G525-Y529 WeakPolarHBondContact O-CB 3.44Å; G525-Y529 PolarHBondContact O-N 2.86Å; A526-Y529 PolarHBondContact O-N 3.31Å; Y529-Y532 WeakPolarHBondContact O-CB 3.39Å; Y529-Y532 PolarHBondContact O-N 3.47Å; Y529-W533 AromaticContact CD1-CD1 3.71Å; Y529-W533 AromaticContact CD1-NE1 3.8Å; Y529-W533 AromaticContact CE1-CD1 3.49Å; Y529-W533 VanDerWaalsContact CE1-CD1 3.49Å; Y529-W533 AromaticContact CE1-NE1 3.12Å; Y529-W533 AromaticContact CE2-NE1 3.83Å; Y529-W533 AromaticContact CZ-CD1 3.92Å; Y529-W533 AromaticContact CZ-NE1 3.12Å; Y529-W533 PolarHBondContact O-N 3.22Å; Y529-W533 PolarHBondContact OH-NE1 2.83Å
530A85.6Confident83.1Confident49 Ų4960.5 Ų60.541%0.40534%0.341SS..Hα-helixtrans-65.6-44.7179.300000112.1A526 V527 Y532 W533 V534A526-A530 VanDerWaalsContact O-CB 3.26Å; A526-A530 WeakPolarHBondContact O-CB 3.13Å; A526-A530 PolarHBondContact O-N 3.44Å; V527-A530 PolarHBondContact O-N 3.25Å; A530-Y532 VanDerWaalsContact C-N 3.34Å; A530-Y532 PolarHBondContact O-N 2.76Å; A530-W533 PolarHBondContact O-N 3.07Å; A530-W533 VanDerWaalsContact O-N 3.16Å; A530-V534 WeakPolarHBondContact O-CG2 2.96Å; A530-V534 PolarHBondContact O-N 3.34Å
531S85.8Confident83.2Confident49 Ų4957.5 Ų57.534%0.34333%0.333SS..Hα-helixtrans-61.9-40.8177.860.10000111.9V527 V528 W533 V534 I535V527-S531 VanDerWaalsContact O-CB 3.26Å; V527-S531 WeakPolarHBondContact O-CB 3.42Å; V527-S531 PolarHBondContact O-N 2.91Å; V527-S531 PolarHBondContact O-OG 3.41Å; V528-S531 WeakPolarHBondContact CA-OG 3.45Å; V528-S531 PolarHBondContact O-OG 3.45Å; S531-W533 VanDerWaalsContact C-N 3.33Å; S531-W533 PolarHBondContact O-N 2.89Å; S531-V534 PolarHBondContact O-N 3.13Å; S531-I535 WeakPolarHBondContact O-CB 3.31Å; S531-I535 WeakPolarHBondContact O-CD1 3.35Å; S531-I535 WeakPolarHBondContact O-CG1 3.18Å; S531-I535 PolarHBondContact O-N 3.22Å
532Y85.4Confident83Confident31 Ų3159.5 Ų59.512%0.12235%0.345CS..Hα-helixtrans-54.8-47.3172.2165.8-91.8000112.1Q424 L428 S447 V528 Y529 A530 I535 L536Q424-Y532 VanDerWaalsContact CD-CE1 3.45Å; Q424-Y532 HydrophobicContact CG-CE1 4.1Å; L428-Y532 HydrophobicContact CD1-CE2 4.45Å; S447-Y532 WeakPolarHBondContact CB-OH 3.19Å; S447-Y532 PolarHBondContact OG-OH 3.46Å; V528-Y532 WeakPolarHBondContact O-CB 3.39Å; V528-Y532 PolarHBondContact O-N 2.69Å; Y529-Y532 WeakPolarHBondContact O-CB 3.39Å; Y529-Y532 PolarHBondContact O-N 3.47Å; A530-Y532 VanDerWaalsContact C-N 3.34Å; A530-Y532 PolarHBondContact O-N 2.76Å; Y532-I535 PolarHBondContact O-N 3.18Å; Y532-L536 HydrophobicContact CD1-CD1 4.21Å; Y532-L536 HydrophobicContact CD2-CD1 3.93Å; Y532-L536 HydrophobicContact CD2-CG 4.49Å; Y532-L536 HydrophobicContact CE1-CD1 3.6Å; Y532-L536 HydrophobicContact CE2-CD1 3.28Å; Y532-L536 HydrophobicContact CE2-CG 4.22Å; Y532-L536 HydrophobicContact CG-CD1 4.36Å; Y532-L536 PolarHBondContact O-N 3.07Å; Y532-L536 WeakPolarHBondContact OH-CD1 3.3Å
533W84.6Confident82.6Confident58 Ų5860 Ų6022%0.2235%0.347CS..Hα-helixtrans-64.4-44.5177.6-80.2110.8000112.5F448 V451 Y529 A530 S531 L536 L537F448-W533 HydrophobicContact CD1-CE3 4.16Å; F448-W533 HydrophobicContact CD1-CH2 4.18Å; F448-W533 AromaticContact CD1-CZ3 3.54Å; F448-W533 HydrophobicContact CD1-CZ3 3.54Å; F448-W533 AromaticContact CE1-CE3 3.58Å; F448-W533 HydrophobicContact CE1-CE3 3.58Å; F448-W533 HydrophobicContact CE1-CH2 4.41Å; F448-W533 AromaticContact CE1-CZ3 3.4Å; F448-W533 HydrophobicContact CE1-CZ3 3.4Å; F448-W533 VanDerWaalsContact CE1-CZ3 3.4Å; F448-W533 HydrophobicContact CZ-CZ3 4.44Å; V451-W533 HydrophobicContact CB-CH2 4.09Å; V451-W533 HydrophobicContact CB-CZ2 4.44Å; V451-W533 HydrophobicContact CG1-CH2 4.09Å; V451-W533 HydrophobicContact CG1-CZ2 4.39Å; V451-W533 HydrophobicContact CG2-CH2 3.48Å; V451-W533 VanDerWaalsContact CG2-CH2 3.48Å; V451-W533 HydrophobicContact CG2-CZ2 3.47Å; V451-W533 VanDerWaalsContact CG2-CZ2 3.47Å; Y529-W533 AromaticContact CD1-CD1 3.71Å; Y529-W533 AromaticContact CD1-NE1 3.8Å; Y529-W533 AromaticContact CE1-CD1 3.49Å; Y529-W533 VanDerWaalsContact CE1-CD1 3.49Å; Y529-W533 AromaticContact CE1-NE1 3.12Å; Y529-W533 AromaticContact CE2-NE1 3.83Å; Y529-W533 AromaticContact CZ-CD1 3.92Å; Y529-W533 AromaticContact CZ-NE1 3.12Å; Y529-W533 PolarHBondContact O-N 3.22Å; Y529-W533 PolarHBondContact OH-NE1 2.83Å; A530-W533 PolarHBondContact O-N 3.07Å; A530-W533 VanDerWaalsContact O-N 3.16Å; S531-W533 VanDerWaalsContact C-N 3.33Å; S531-W533 PolarHBondContact O-N 2.89Å; W533-L536 PolarHBondContact O-N 3.5Å; W533-L537 HydrophobicContact CE3-CD1 4.49Å; W533-L537 WeakPolarHBondContact O-CB 2.86Å; W533-L537 WeakPolarHBondContact O-CD1 3.1Å; W533-L537 VanDerWaalsContact O-CG 3.22Å; W533-L537 WeakPolarHBondContact O-CG 3.4Å; W533-L537 PolarHBondContact O-N 3.02Å
534V86.4Confident81.9Confident91 Ų9156.1 Ų56.155%0.55233%0.327SS*.Hα-helixtrans-61.1-46.5177.91730000110.6A530 S531 T538A530-V534 WeakPolarHBondContact O-CG2 2.96Å; A530-V534 PolarHBondContact O-N 3.34Å; S531-V534 PolarHBondContact O-N 3.13Å; V534-T538 HydrophobicContact CG1-CG2 4.38Å; V534-T538 WeakPolarHBondContact O-CB 3.25Å; V534-T538 WeakPolarHBondContact O-CG2 3.43Å; V534-T538 PolarHBondContact O-N 2.81Å; V534-T538 PolarHBondContact O-OG1 2.96Å
535I84.7Confident81Confident96 Ų9656.4 Ų56.449%0.49233%0.326SS..Hα-helixtrans-62.2-47.7179.2-68.7164.9000110.7S531 Y532 T538 L539S531-I535 WeakPolarHBondContact O-CB 3.31Å; S531-I535 WeakPolarHBondContact O-CD1 3.35Å; S531-I535 WeakPolarHBondContact O-CG1 3.18Å; S531-I535 PolarHBondContact O-N 3.22Å; Y532-I535 PolarHBondContact O-N 3.18Å; I535-T538 WeakPolarHBondContact CA-OG1 3.36Å; I535-T538 PolarHBondContact O-OG1 2.81Å; I535-L539 HydrophobicContact CG2-CD1 3.92Å; I535-L539 HydrophobicContact CG2-CG 4.49Å; I535-L539 WeakPolarHBondContact O-CB 3.39Å; I535-L539 VanDerWaalsContact O-CG 3.24Å; I535-L539 WeakPolarHBondContact O-CG 3.28Å; I535-L539 PolarHBondContact O-N 3.11Å
536L80.5Confident79.9Confident7 Ų763.7 Ų63.74%0.03736%0.356CS..Hα-helixtrans-72.4-35.2-178-71.5176.8000113.2V444 S447 F448 Y532 W533 L539 Y540V444-L536 HydrophobicContact CG1-CD2 3.97Å; S447-L536 VanDerWaalsContact OG-CD1 3.29Å; S447-L536 WeakPolarHBondContact OG-CD1 3.32Å; F448-L536 HydrophobicContact CD1-CB 4.49Å; F448-L536 HydrophobicContact CD1-CD1 4.12Å; F448-L536 HydrophobicContact CE1-CB 3.45Å; F448-L536 VanDerWaalsContact CE1-CB 3.45Å; F448-L536 HydrophobicContact CE1-CD1 3.73Å; F448-L536 HydrophobicContact CE1-CG 4.28Å; F448-L536 HydrophobicContact CE2-CB 4.02Å; F448-L536 HydrophobicContact CZ-CB 3.2Å; F448-L536 HydrophobicContact CZ-CD1 4.23Å; F448-L536 HydrophobicContact CZ-CG 4.34Å; Y532-L536 HydrophobicContact CD1-CD1 4.21Å; Y532-L536 HydrophobicContact CD2-CD1 3.93Å; Y532-L536 HydrophobicContact CD2-CG 4.49Å; Y532-L536 HydrophobicContact CE1-CD1 3.6Å; Y532-L536 HydrophobicContact CE2-CD1 3.28Å; Y532-L536 HydrophobicContact CE2-CG 4.22Å; Y532-L536 HydrophobicContact CG-CD1 4.36Å; Y532-L536 PolarHBondContact O-N 3.07Å; Y532-L536 WeakPolarHBondContact OH-CD1 3.3Å; W533-L536 PolarHBondContact O-N 3.5Å; L536-L539 HydrophobicContact CD2-CD1 4.34Å; L536-L539 PolarHBondContact O-N 3.18Å; L536-Y540 WeakPolarHBondContact O-CB 3.36Å; L536-Y540 PolarHBondContact O-N 3.12Å
537L83.3Confident78.4Confident80 Ų8064.7 Ų64.742%0.41936%0.36SS..Hα-helixtrans-67.5-40.3176.1-75.7166.7000111.1W261 F448 W533 Y540 A541W261-L537 HydrophobicContact CH2-CD2 3.62Å; W261-L537 HydrophobicContact CZ3-CD2 3.99Å; F448-L537 HydrophobicContact CZ-CD2 4.33Å; F448-L537 HydrophobicContact CZ-CG 4.3Å; W533-L537 HydrophobicContact CE3-CD1 4.49Å; W533-L537 WeakPolarHBondContact O-CB 2.86Å; W533-L537 WeakPolarHBondContact O-CD1 3.1Å; W533-L537 VanDerWaalsContact O-CG 3.22Å; W533-L537 WeakPolarHBondContact O-CG 3.4Å; W533-L537 PolarHBondContact O-N 3.02Å; L537-Y540 PolarHBondContact O-N 3.32Å; L537-A541 WeakPolarHBondContact O-CB 3.29Å; L537-A541 PolarHBondContact O-N 3.28Å
538T82.7Confident76.8Confident74 Ų7460.6 Ų60.645%0.45434%0.336SS..Hα-helixtrans-65.1-44.6173.8520000111.1V534 I535 Y540 A541 V542V534-T538 HydrophobicContact CG1-CG2 4.38Å; V534-T538 WeakPolarHBondContact O-CB 3.25Å; V534-T538 WeakPolarHBondContact O-CG2 3.43Å; V534-T538 PolarHBondContact O-N 2.81Å; V534-T538 PolarHBondContact O-OG1 2.96Å; I535-T538 WeakPolarHBondContact CA-OG1 3.36Å; I535-T538 PolarHBondContact O-OG1 2.81Å; T538-Y540 VanDerWaalsContact C-N 3.31Å; T538-Y540 PolarHBondContact O-N 3.18Å; T538-A541 PolarHBondContact O-N 2.93Å; T538-V542 WeakPolarHBondContact O-CB 3.4Å; T538-V542 VanDerWaalsContact O-CG2 3.28Å; T538-V542 WeakPolarHBondContact O-CG2 3.41Å; T538-V542 PolarHBondContact O-N 3.4Å
539L80.8Confident75.2Confident71 Ų7164.8 Ų64.837%0.37235%0.348SS..Hα-helixtrans-58.6-41.2173-75.7171.5000112.1F445 I535 L536 V542 L543F445-L539 HydrophobicContact CE1-CB 4.17Å; F445-L539 HydrophobicContact CZ-CB 4.12Å; I535-L539 HydrophobicContact CG2-CD1 3.92Å; I535-L539 HydrophobicContact CG2-CG 4.49Å; I535-L539 WeakPolarHBondContact O-CB 3.39Å; I535-L539 VanDerWaalsContact O-CG 3.24Å; I535-L539 WeakPolarHBondContact O-CG 3.28Å; I535-L539 PolarHBondContact O-N 3.11Å; L536-L539 HydrophobicContact CD2-CD1 4.34Å; L536-L539 PolarHBondContact O-N 3.18Å; L539-V542 PolarHBondContact O-N 2.64Å; L539-L543 HydrophobicContact CB-CD1 4.5Å; L539-L543 HydrophobicContact CD2-CD1 4.24Å; L539-L543 WeakPolarHBondContact O-CB 3.41Å; L539-L543 WeakPolarHBondContact O-CG 3.4Å; L539-L543 PolarHBondContact O-N 2.99Å
540Y78Confident73.4Confident19 Ų1971.9 Ų71.98%0.07538%0.375CS..Hα-helixtrans-63.6-48176.2179.6-88.7000111.4W261 F264 F445 L536 L537 T538 V542 I544 N545W261-Y540 HydrophobicContact CD2-CE1 4.21Å; W261-Y540 HydrophobicContact CD2-CE2 4.05Å; W261-Y540 AromaticContact CD2-CZ 3.83Å; W261-Y540 AromaticContact CE3-CD1 3.61Å; W261-Y540 HydrophobicContact CE3-CD1 3.61Å; W261-Y540 HydrophobicContact CE3-CD2 4.14Å; W261-Y540 AromaticContact CE3-CE1 3.2Å; W261-Y540 HydrophobicContact CE3-CE1 3.2Å; W261-Y540 AromaticContact CE3-CE2 3.76Å; W261-Y540 HydrophobicContact CE3-CE2 3.76Å; W261-Y540 HydrophobicContact CE3-CG 4.06Å; W261-Y540 AromaticContact CE3-CZ 3.26Å; W261-Y540 HydrophobicContact CH2-CD1 4.03Å; W261-Y540 HydrophobicContact CH2-CD2 4.08Å; W261-Y540 HydrophobicContact CH2-CE1 4.44Å; W261-Y540 HydrophobicContact CH2-CE2 4.46Å; W261-Y540 AromaticContact CH2-CG 3.83Å; W261-Y540 HydrophobicContact CH2-CG 3.83Å; W261-Y540 AromaticContact CZ3-CD1 3.18Å; W261-Y540 HydrophobicContact CZ3-CD1 3.18Å; W261-Y540 AromaticContact CZ3-CD2 3.87Å; W261-Y540 HydrophobicContact CZ3-CD2 3.87Å; W261-Y540 AromaticContact CZ3-CE1 3.35Å; W261-Y540 HydrophobicContact CZ3-CE1 3.35Å; W261-Y540 AromaticContact CZ3-CE2 3.99Å; W261-Y540 HydrophobicContact CZ3-CE2 3.99Å; W261-Y540 AromaticContact CZ3-CG 3.46Å; W261-Y540 HydrophobicContact CZ3-CG 3.46Å; W261-Y540 VanDerWaalsContact CZ3-CG 3.46Å; W261-Y540 AromaticContact CZ3-CZ 3.75Å; F264-Y540 HydrophobicContact CD1-CD2 4.32Å; F264-Y540 AromaticContact CD1-CE2 3.7Å; F264-Y540 HydrophobicContact CD1-CE2 3.7Å; F264-Y540 HydrophobicContact CE1-CD2 4.22Å; F264-Y540 HydrophobicContact CE1-CE2 4.04Å; F264-Y540 HydrophobicContact CG-CE2 4.34Å; F445-Y540 HydrophobicContact CD1-CD2 4.32Å; F445-Y540 HydrophobicContact CE1-CD2 4.24Å; F445-Y540 HydrophobicContact CE1-CG 4.46Å; L536-Y540 WeakPolarHBondContact O-CB 3.36Å; L536-Y540 PolarHBondContact O-N 3.12Å; L537-Y540 PolarHBondContact O-N 3.32Å; T538-Y540 VanDerWaalsContact C-N 3.31Å; T538-Y540 PolarHBondContact O-N 3.18Å; Y540-V542 VanDerWaalsContact C-N 3.31Å; Y540-V542 PolarHBondContact O-N 3.22Å; Y540-I544 HydrophobicContact CD2-CB 4.09Å; Y540-I544 HydrophobicContact CD2-CG1 3.82Å; Y540-I544 HydrophobicContact CE2-CB 3.95Å; Y540-I544 HydrophobicContact CE2-CG1 3.93Å; Y540-I544 HydrophobicContact CE2-CG2 3.91Å; Y540-I544 HydrophobicContact CG-CB 4.45Å; Y540-I544 HydrophobicContact CG-CG1 4.47Å; Y540-I544 WeakPolarHBondContact O-CA 3.2Å; Y540-I544 VanDerWaalsContact O-CB 3.28Å; Y540-I544 WeakPolarHBondContact O-CB 3.38Å; Y540-I544 PolarHBondContact O-N 3.48Å; Y540-N545 PolarHBondContact O-N 3.36Å
541A78.6Confident71.6Confident44 Ų4475 Ų7536%0.36438%0.379SS..Iπ-helixtrans-62-39.4178.800000112.1L537 T538 N545L537-A541 WeakPolarHBondContact O-CB 3.29Å; L537-A541 PolarHBondContact O-N 3.28Å; T538-A541 PolarHBondContact O-N 2.93Å; A541-N545 WeakPolarHBondContact O-CB 3.24Å; A541-N545 PolarHBondContact O-N 3.27Å
542V77Confident69.9Low81 Ų8177.2 Ų77.249%0.49138%0.383SS..Iπ-helixtrans-75.1-49.1-180174.20000111.6T538 L539 Y540 K546T538-V542 WeakPolarHBondContact O-CB 3.4Å; T538-V542 VanDerWaalsContact O-CG2 3.28Å; T538-V542 WeakPolarHBondContact O-CG2 3.41Å; T538-V542 PolarHBondContact O-N 3.4Å; L539-V542 PolarHBondContact O-N 2.64Å; Y540-V542 VanDerWaalsContact C-N 3.31Å; Y540-V542 PolarHBondContact O-N 3.22Å; V542-K546 WeakPolarHBondContact O-CB 3.19Å
543L70.4Confident67.7Low61 Ų6182.5 Ų82.532%0.31941%0.409SS..Iπ-helixtrans-82.6-35.6-172.6-66171.6000113.2I441 F445 L539 C547I441-L543 HydrophobicContact CG2-CD1 4.47Å; F445-L543 HydrophobicContact CE2-CD1 4.21Å; F445-L543 HydrophobicContact CZ-CB 4.45Å; F445-L543 HydrophobicContact CZ-CD1 4.1Å; L539-L543 HydrophobicContact CB-CD1 4.5Å; L539-L543 HydrophobicContact CD2-CD1 4.24Å; L539-L543 WeakPolarHBondContact O-CB 3.41Å; L539-L543 WeakPolarHBondContact O-CG 3.4Å; L539-L543 PolarHBondContact O-N 2.99Å; L543-C547 VanDerWaalsContact O-CB 3.24Å; L543-C547 WeakPolarHBondContact O-CB 3.28Å
544I67.5Low65.4Low11 Ų1183.2 Ų83.26%0.05642%0.419CS..Iπ-helixtrans-98.1-47.7-174.2-57.6-65000111.1Y258 F264 F445 Y540 G548Y258-I544 HydrophobicContact CD1-CG2 4.23Å; Y258-I544 HydrophobicContact CE1-CD1 4.2Å; F264-I544 HydrophobicContact CD2-CD1 3.99Å; F264-I544 HydrophobicContact CE1-CD1 4.26Å; F264-I544 HydrophobicContact CE1-CG1 4.27Å; F264-I544 HydrophobicContact CE2-CD1 3.31Å; F264-I544 HydrophobicContact CE2-CG1 4.15Å; F264-I544 HydrophobicContact CZ-CD1 3.46Å; F264-I544 VanDerWaalsContact CZ-CD1 3.46Å; F264-I544 HydrophobicContact CZ-CG1 3.94Å; F445-I544 HydrophobicContact CE2-CD1 4.48Å; F445-I544 HydrophobicContact CE2-CG1 4.24Å; F445-I544 HydrophobicContact CZ-CG1 4.48Å; Y540-I544 HydrophobicContact CD2-CB 4.09Å; Y540-I544 HydrophobicContact CD2-CG1 3.82Å; Y540-I544 HydrophobicContact CE2-CB 3.95Å; Y540-I544 HydrophobicContact CE2-CG1 3.93Å; Y540-I544 HydrophobicContact CE2-CG2 3.91Å; Y540-I544 HydrophobicContact CG-CB 4.45Å; Y540-I544 HydrophobicContact CG-CG1 4.47Å; Y540-I544 WeakPolarHBondContact O-CA 3.2Å; Y540-I544 VanDerWaalsContact O-CB 3.28Å; Y540-I544 WeakPolarHBondContact O-CB 3.38Å; Y540-I544 PolarHBondContact O-N 3.48Å; I544-G548 WeakPolarHBondContact O-CA 3.44Å; I544-G548 PolarHBondContact O-N 2.91Å
545N66.4Low63.3Low91 Ų9181.6 Ų81.649%0.48741%0.405SS..Iπ-helixtrans-73.5-32.8-177.4-72.6-15000113.3Y540 A541Y540-N545 PolarHBondContact O-N 3.36Å; A541-N545 WeakPolarHBondContact O-CB 3.24Å; A541-N545 PolarHBondContact O-N 3.27Å
546K58.6Low61.1Low158 Ų15881.3 Ų81.369%0.68740%0.399SS*.Iπ-helixtrans-84.2-47175.5-69-175.4171.3-178.20113.3V542V542-K546 WeakPolarHBondContact O-CB 3.19Å
547C52.3Low58.7Low66 Ų6685.2 Ų85.245%0.44642%0.42SS..Hα-helixtrans-83.3-26-178.9-57.40000113.6L543 K549 R550 K551L543-C547 VanDerWaalsContact O-CB 3.24Å; L543-C547 WeakPolarHBondContact O-CB 3.28Å; C547-K549 VanDerWaalsContact C-N 3.34Å; C547-R550 PolarHBondContact O-N 2.96Å; C547-K551 PolarHBondContact O-N 3.34Å
548G53.8Low56.4Low5 Ų587 Ų875%0.05243%0.427CS..Hα-helixtrans-66.2-33.7176.500000112.6I544 K551 K552I544-G548 WeakPolarHBondContact O-CA 3.44Å; I544-G548 PolarHBondContact O-N 2.91Å; G548-K551 PolarHBondContact O-N 2.49Å; G548-K552 WeakPolarHBondContact O-CB 3.39Å; G548-K552 PolarHBondContact O-N 3.42Å
549K51Low54.4Low163 Ų16385 Ų8571%0.70942%0.415SS*.Hα-helixtrans-62.9-46.5172.9-79.3-174.6175.4-174.40112.3C547 K551 K552C547-K549 VanDerWaalsContact C-N 3.34Å; K549-K551 PolarHBondContact O-N 2.74Å; K549-K552 WeakPolarHBondContact O-CB 3.47Å; K549-K552 PolarHBondContact O-N 2.96Å
550R47.8Very low52.3Low204 Ų20487 Ų8777%0.7743%0.425SS*.Hα-helixtrans-62.9-39.6175.2-95.7-178.9174.9174.6-1.8113.2C547 T554C547-R550 PolarHBondContact O-N 2.96Å; R550-T554 PolarHBondContact O-OG1 3.5Å
551K48.7Very low49.9Very low116 Ų11692.7 Ų92.750%0.50446%0.457SS..Hα-helixtrans-79.3-15.5178.4-76.1-175.3175.9-178.80114Y258 C547 G548 K549 E553 H555Y258-K551 HydrophobicContact CE2-CB 4.16Å; C547-K551 PolarHBondContact O-N 3.34Å; G548-K551 PolarHBondContact O-N 2.49Å; K549-K551 PolarHBondContact O-N 2.74Å; K551-E553 VanDerWaalsContact C-N 3.26Å; K551-H555 WeakPolarHBondContact O-CB 3.46Å; K551-H555 PolarHBondContact O-N 3.17Å
552K49.3Very low47.8Very low95 Ų9597.5 Ų97.541%0.41348%0.482SS..Hα-helixtrans-66.1-33.1175.3-143.4176.3-179.4-175.90110.9G548 K549 Y556G548-K552 WeakPolarHBondContact O-CB 3.39Å; G548-K552 PolarHBondContact O-N 3.42Å; K549-K552 WeakPolarHBondContact O-CB 3.47Å; K549-K552 PolarHBondContact O-N 2.96Å; K552-Y556 WeakPolarHBondContact O-CD2 3.42Å
553E40.1Very low46.3Very low142 Ų14298.3 Ų98.366%0.66448%0.481SS*.Hα-helixtrans-76.6-54.7173.3-71.3167.3169.900110.5K551 H555 Y556 D557K551-E553 VanDerWaalsContact C-N 3.26Å; E553-H555 VanDerWaalsContact C-N 3.34Å; E553-H555 PolarHBondContact O-N 3.03Å; E553-Y556 PolarHBondContact O-N 2.9Å; E553-D557 PolarHBondContact O-N 3.33Å
554T36.3Very low45Very low72 Ų72100.3 Ų100.344%0.44249%0.49SS..Hα-helixtrans-66.6-26.8-174.2-0.10000115.3R550 M558R550-T554 PolarHBondContact O-OG1 3.5Å; T554-M558 WeakPolarHBondContact O-CB 3.41Å; T554-M558 PolarHBondContact O-N 3.33Å
555H41.8Very low43.8Very low57 Ų57105.2 Ų105.226%0.26451%0.514SS..Hα-helixtrans-85.8-22.8-178.3-153.9-22.8000112.9K257 K551 E553 V559K257-H555 WeakPolarHBondContact CE-CD2 3.41Å; K257-H555 WeakPolarHBondContact CE-NE2 3.45Å; K257-H555 PolarHBondContact NZ-CD2 3.32Å; K257-H555 PolarHBondContact NZ-NE2 3.27Å; K551-H555 WeakPolarHBondContact O-CB 3.46Å; K551-H555 PolarHBondContact O-N 3.17Å; E553-H555 VanDerWaalsContact C-N 3.34Å; E553-H555 PolarHBondContact O-N 3.03Å; H555-V559 WeakPolarHBondContact O-CG2 3.45Å
556Y38Very low42.5Very low90 Ų90106.1 Ų106.135%0.35352%0.515SS..Hα-helixtrans-73.4-38.1167.5-87.2-104.1000110.1E259 K552 E553 L560E259-Y556 PolarHBondContact OE1-OH 3.37Å; K552-Y556 WeakPolarHBondContact O-CD2 3.42Å; E553-Y556 PolarHBondContact O-N 2.9Å; Y556-L560 WeakPolarHBondContact O-CG 3.47Å; Y556-L560 PolarHBondContact O-N 3.48Å
557D31.1Very low41.5Very low89 Ų89102.8 Ų102.848%0.47651%0.505SS..Hα-helixtrans-70.4-47.3177.9-64.3-23.2000112.5E553 V559 L560 D561E553-D557 PolarHBondContact O-N 3.33Å; D557-V559 PolarHBondContact O-N 2.96Å; D557-V559 VanDerWaalsContact O-N 3.11Å; D557-L560 PolarHBondContact O-N 3.25Å; D557-L560 VanDerWaalsContact O-N 3.08Å; D557-D561 WeakPolarHBondContact O-CB 3.41Å; D557-D561 PolarHBondContact O-N 3.27Å
558M34.6Very low40.7Very low117 Ų117105.3 Ų105.358%0.57651%0.509SS*.Hα-helixtrans-62.8-20.1177.4-88.8-171-70.100115.1T554T554-M558 WeakPolarHBondContact O-CB 3.41Å; T554-M558 PolarHBondContact O-N 3.33Å
559V40.8Very low39.8Very low33 Ų33112.4 Ų112.420%0.254%0.541CS..Hα-helixtrans-88-21.1178.9172.30000111.4M226 H555 D557M226-V559 HydrophobicContact CE-CG1 4.1Å; M226-V559 HydrophobicContact SD-CG1 3.71Å; H555-V559 WeakPolarHBondContact O-CG2 3.45Å; D557-V559 PolarHBondContact O-N 2.96Å; D557-V559 VanDerWaalsContact O-N 3.11Å
560L36.3Very low38.9Very low112 Ų112108.5 Ų108.559%0.58653%0.528SS*.Hα-helixtrans-88.7-28.9173.3-68.4169.1000112Y556 D557Y556-L560 WeakPolarHBondContact O-CG 3.47Å; Y556-L560 PolarHBondContact O-N 3.48Å; D557-L560 PolarHBondContact O-N 3.25Å; D557-L560 VanDerWaalsContact O-N 3.08Å
561D27.2Very low38.2Very low139 Ų139100.6 Ų100.674%0.74351%0.508SS*.  trans-97.719.5-174.2-76.6-21.3000116.6D557D557-D561 WeakPolarHBondContact O-CB 3.41Å; D557-D561 PolarHBondContact O-N 3.27Å
562V34Very low37.2Very low145 Ų14599.2 Ų99.288%0.87951%0.509SS*.  trans-122.80171.2-173.70000112.7R117R117-V562 VanDerWaalsContact CZ-O 3.24Å; R117-V562 PolarHBondContact NH1-O 2.56Å

Retrieved 562 of 562 residues in 481.8 ms (Link to these results)

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