A0A087XT34_POEFO Loading...

unspecific monooxygenase

Putative steroid 6-beta-hydroxylase.

AlphaFold DB , UniProt , Accession A0A087XT34, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 498 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
1M46.1Very low72Confident206 Ų206119.5 Ų119.5100%1.01562%0.624SS**  088.80-150.6-179.6111.200104.8F3M1-F3 PolarHBondContact O-N 3.06Å; M1-F3 VanDerWaalsContact O-N 3.16Å
2D50.2Low73.7Confident123 Ų123117.5 Ų117.566%0.65862%0.62SS**  trans-93.886.4-143.6-61.1-12.8000111.2L4 M5D2-L4 PolarHBondContact O-N 3.27Å; D2-M5 HydrophobicContact CB-CG 3.89Å; D2-M5 PolarHBondContact O-N 2.82Å
3F54.6Low75.2Confident160 Ų160116.9 Ų116.970%0.70262%0.617SS**THydrogen-bonded Turntrans-62.8-3.3170.1-98.6-87000113.7M1 W11M1-F3 PolarHBondContact O-N 3.06Å; M1-F3 VanDerWaalsContact O-N 3.16Å; F3-W11 WeakPolarHBondContact O-CZ2 3.41Å
4L57.8Low76.3Confident150 Ų150113.6 Ų113.679%0.78560%0.603SS**THydrogen-bonded Turntrans-96.2-1.5-177.7-77.4160.8000114.5D2 F6D2-L4 PolarHBondContact O-N 3.27Å; L4-F6 VanDerWaalsContact C-N 3.27Å; L4-F6 PolarHBondContact O-N 3.11Å
5M62.9Low77.4Confident160 Ų160109.6 Ų109.679%0.78859%0.593SS**  trans-86.927.6-177-72.5-82.3-90.900114.3D2D2-M5 HydrophobicContact CB-CG 3.89Å; D2-M5 PolarHBondContact O-N 2.82Å
6F75Confident78.5Confident111 Ų111108.7 Ų108.749%0.48759%0.587SS.*  trans-93.1142.5173.1-68.1-64.7000110.9L4 T10 W11L4-F6 VanDerWaalsContact C-N 3.27Å; L4-F6 PolarHBondContact O-N 3.11Å; F6-T10 HydrophobicContact CB-CG2 3.87Å; F6-T10 HydrophobicContact CD1-CG2 3.92Å; F6-T10 HydrophobicContact CG-CG2 3.98Å; F6-W11 HydrophobicContact CB-CZ2 4.47Å; F6-W11 HydrophobicContact CD2-CZ2 4.08Å; F6-W11 PolarHBondContact O-NE1 3.37Å
7S87.5Confident79.2Confident60 Ų60107.1 Ų107.142%0.4258%0.581SS.*  trans-62.7156.3177.962.60000111.5T9 T10 W11S7-T9 PolarHBondContact O-N 2.85Å; S7-T9 VanDerWaalsContact O-N 3.13Å; S7-T9 PolarHBondContact OG-OG1 2.79Å; S7-T10 WeakPolarHBondContact O-CB 3.31Å; S7-T10 PolarHBondContact O-N 2.83Å; S7-T10 PolarHBondContact OG-N 2.65Å; S7-T10 PolarHBondContact OG-OG1 3.39Å; S7-T10 VanDerWaalsContact OG-OG1 3.11Å; S7-W11 PolarHBondContact O-N 3.03Å; S7-W11 VanDerWaalsContact O-N 3.12Å
8A87.9Confident79.7Confident80 Ų80105.2 Ų105.266%0.66157%0.573SS**Hα-helixtrans-55-32.1174.300000112.4T12A8-T12 WeakPolarHBondContact O-CB 3.49Å; A8-T12 PolarHBondContact O-N 3.42Å; A8-T12 PolarHBondContact O-OG1 3.32Å
9T89.3Confident80.3Confident95 Ų95103.4 Ų103.458%0.58357%0.567SS**Hα-helixtrans-63.7-43.8173.450.20000112.3S7 T12 L13S7-T9 PolarHBondContact O-N 2.85Å; S7-T9 VanDerWaalsContact O-N 3.13Å; S7-T9 PolarHBondContact OG-OG1 2.79Å; T9-T12 PolarHBondContact O-N 2.89Å; T9-L13 WeakPolarHBondContact O-CG 3.33Å; T9-L13 PolarHBondContact O-N 2.87Å
10T90.4Very high80.7Confident51 Ų51103.2 Ų103.231%0.31356%0.564SS.*Hα-helixtrans-62.4-46.7176.1-58.90000111.4F6 S7 T12 L13 V14F6-T10 HydrophobicContact CB-CG2 3.87Å; F6-T10 HydrophobicContact CD1-CG2 3.92Å; F6-T10 HydrophobicContact CG-CG2 3.98Å; S7-T10 WeakPolarHBondContact O-CB 3.31Å; S7-T10 PolarHBondContact O-N 2.83Å; S7-T10 PolarHBondContact OG-N 2.65Å; S7-T10 PolarHBondContact OG-OG1 3.39Å; S7-T10 VanDerWaalsContact OG-OG1 3.11Å; T10-T12 VanDerWaalsContact C-N 3.32Å; T10-T12 PolarHBondContact O-N 2.85Å; T10-L13 PolarHBondContact O-N 2.7Å; T10-V14 HydrophobicContact CG2-CG2 4.45Å; T10-V14 VanDerWaalsContact O-CG2 3.3Å; T10-V14 WeakPolarHBondContact O-CG2 3.44Å; T10-V14 PolarHBondContact O-N 3.12Å
11W90.6Very high80.9Confident119 Ų119102 Ų10245%0.45156%0.556SS.*Hα-helixtrans-63.3-36.9177.6-73.4114000112.9F3 F6 S7 V14 A15F3-W11 WeakPolarHBondContact O-CZ2 3.41Å; F6-W11 HydrophobicContact CB-CZ2 4.47Å; F6-W11 HydrophobicContact CD2-CZ2 4.08Å; F6-W11 PolarHBondContact O-NE1 3.37Å; S7-W11 PolarHBondContact O-N 3.03Å; S7-W11 VanDerWaalsContact O-N 3.12Å; W11-V14 PolarHBondContact O-N 2.68Å; W11-A15 WeakPolarHBondContact O-CB 3.41Å; W11-A15 PolarHBondContact O-N 2.9Å
12T92Very high82.7Confident95 Ų9596.3 Ų96.358%0.58353%0.53SS*.Hα-helixtrans-65.3-43.8175.5-56.10000111.5A8 T9 T10 A15 L16A8-T12 WeakPolarHBondContact O-CB 3.49Å; A8-T12 PolarHBondContact O-N 3.42Å; A8-T12 PolarHBondContact O-OG1 3.32Å; T9-T12 PolarHBondContact O-N 2.89Å; T10-T12 VanDerWaalsContact C-N 3.32Å; T10-T12 PolarHBondContact O-N 2.85Å; T12-A15 PolarHBondContact O-N 2.83Å; T12-L16 WeakPolarHBondContact O-CB 3.34Å; T12-L16 PolarHBondContact O-N 3.44Å
13L92.8Very high84.5Confident110 Ų11094.7 Ų94.758%0.57652%0.521SS*.Hα-helixtrans-64.4-42175.7-72.6171.4000111.8T9 T10 L16 V17T9-L13 WeakPolarHBondContact O-CG 3.33Å; T9-L13 PolarHBondContact O-N 2.87Å; T10-L13 PolarHBondContact O-N 2.7Å; L13-L16 PolarHBondContact O-N 3.12Å; L13-V17 WeakPolarHBondContact O-CB 3.5Å; L13-V17 VanDerWaalsContact O-CG2 3.28Å; L13-V17 WeakPolarHBondContact O-CG2 3.33Å; L13-V17 PolarHBondContact O-N 3.28Å
14V91.2Very high85.9Confident70 Ų7089.9 Ų89.942%0.42450%0.498SS..Hα-helixtrans-61.7-47.4175.3170.90000110.7T10 W11 L16 V17 V18T10-V14 HydrophobicContact CG2-CG2 4.45Å; T10-V14 VanDerWaalsContact O-CG2 3.3Å; T10-V14 WeakPolarHBondContact O-CG2 3.44Å; T10-V14 PolarHBondContact O-N 3.12Å; W11-V14 PolarHBondContact O-N 2.68Å; V14-L16 VanDerWaalsContact C-N 3.33Å; V14-L16 PolarHBondContact O-N 3.15Å; V14-V17 PolarHBondContact O-N 3.15Å; V14-V18 HydrophobicContact CG1-CG2 4.35Å; V14-V18 WeakPolarHBondContact O-CB 3.47Å; V14-V18 VanDerWaalsContact O-CG2 3.31Å; V14-V18 WeakPolarHBondContact O-CG2 3.42Å; V14-V18 PolarHBondContact O-N 3.17Å
15A93Very high87Confident54 Ų5482.7 Ų82.745%0.44646%0.461SS..Hα-helixtrans-61.1-41.1177.300000112.1W11 T12 T19W11-A15 WeakPolarHBondContact O-CB 3.41Å; W11-A15 PolarHBondContact O-N 2.9Å; T12-A15 PolarHBondContact O-N 2.83Å; A15-T19 VanDerWaalsContact O-CB 3.29Å; A15-T19 WeakPolarHBondContact O-CB 3.44Å; A15-T19 PolarHBondContact O-N 3.11Å; A15-T19 PolarHBondContact O-OG1 3.16Å
16L94.1Very high88.2Confident95 Ų9578 Ų7850%0.49744%0.438SS..Hα-helixtrans-61.9-48.6174.9179.464.4000111.3T12 L13 V14 T19 L20T12-L16 WeakPolarHBondContact O-CB 3.34Å; T12-L16 PolarHBondContact O-N 3.44Å; L13-L16 PolarHBondContact O-N 3.12Å; V14-L16 VanDerWaalsContact C-N 3.33Å; V14-L16 PolarHBondContact O-N 3.15Å; L16-T19 PolarHBondContact O-N 3.48Å; L16-L20 HydrophobicContact CD1-CD1 4.11Å; L16-L20 HydrophobicContact CD1-CG 4.2Å; L16-L20 HydrophobicContact CG-CD1 4.01Å; L16-L20 HydrophobicContact CG-CG 4.47Å; L16-L20 WeakPolarHBondContact O-CB 3.44Å; L16-L20 VanDerWaalsContact O-CG 3.3Å; L16-L20 WeakPolarHBondContact O-CG 3.38Å; L16-L20 PolarHBondContact O-N 3.24Å
17V90.5Very high88.7Confident81 Ų8181.7 Ų81.749%0.49145%0.449SS..Hα-helixtrans-61.3-46.7178.7169.40000111L13 V14 T19 L20 L21L13-V17 WeakPolarHBondContact O-CB 3.5Å; L13-V17 VanDerWaalsContact O-CG2 3.28Å; L13-V17 WeakPolarHBondContact O-CG2 3.33Å; L13-V17 PolarHBondContact O-N 3.28Å; V14-V17 PolarHBondContact O-N 3.15Å; V17-T19 VanDerWaalsContact C-N 3.33Å; V17-T19 PolarHBondContact O-N 3.05Å; V17-L20 PolarHBondContact O-N 3.24Å; V17-L21 HydrophobicContact CG1-CD1 3.82Å; V17-L21 HydrophobicContact CG1-CG 4.35Å; V17-L21 WeakPolarHBondContact O-CB 3.34Å; V17-L21 VanDerWaalsContact O-CG 3.23Å; V17-L21 WeakPolarHBondContact O-CG 3.23Å; V17-L21 PolarHBondContact O-N 2.81Å
18V88.4Confident88.7Confident73 Ų7380.2 Ų80.244%0.44244%0.438SS..Hα-helixtrans-61.5-43.1177.1171.90000110.9V14 L21 L22V14-V18 HydrophobicContact CG1-CG2 4.35Å; V14-V18 WeakPolarHBondContact O-CB 3.47Å; V14-V18 VanDerWaalsContact O-CG2 3.31Å; V14-V18 WeakPolarHBondContact O-CG2 3.42Å; V14-V18 PolarHBondContact O-N 3.17Å; V18-L21 PolarHBondContact O-N 3.13Å; V18-L22 HydrophobicContact CG1-CD1 4.05Å; V18-L22 HydrophobicContact CG1-CG 4.43Å; V18-L22 WeakPolarHBondContact O-CB 3.43Å; V18-L22 WeakPolarHBondContact O-CG 3.47Å; V18-L22 PolarHBondContact O-N 3.32Å
19T90.8Very high88.7Confident72 Ų7277.7 Ų77.744%0.44241%0.413SS..Hα-helixtrans-63.4-46.5178-58.20000111.4A15 L16 V17 L21 L22 L23A15-T19 VanDerWaalsContact O-CB 3.29Å; A15-T19 WeakPolarHBondContact O-CB 3.44Å; A15-T19 PolarHBondContact O-N 3.11Å; A15-T19 PolarHBondContact O-OG1 3.16Å; L16-T19 PolarHBondContact O-N 3.48Å; V17-T19 VanDerWaalsContact C-N 3.33Å; V17-T19 PolarHBondContact O-N 3.05Å; T19-L21 VanDerWaalsContact C-N 3.34Å; T19-L21 PolarHBondContact O-N 2.77Å; T19-L22 PolarHBondContact O-N 3.38Å; T19-L23 HydrophobicContact CG2-CD1 4.1Å; T19-L23 HydrophobicContact CG2-CG 4.4Å; T19-L23 WeakPolarHBondContact O-CB 3.3Å; T19-L23 VanDerWaalsContact O-CG 3.31Å; T19-L23 WeakPolarHBondContact O-CG 3.44Å; T19-L23 PolarHBondContact O-N 3.2Å
20L89.4Confident88.8Confident98 Ų9880.9 Ų80.951%0.51341%0.414SS..Hα-helixtrans-62.8-40.3176.9-71.9174.4000111.7L16 V17 L23 Y24L16-L20 HydrophobicContact CD1-CD1 4.11Å; L16-L20 HydrophobicContact CD1-CG 4.2Å; L16-L20 HydrophobicContact CG-CD1 4.01Å; L16-L20 HydrophobicContact CG-CG 4.47Å; L16-L20 WeakPolarHBondContact O-CB 3.44Å; L16-L20 VanDerWaalsContact O-CG 3.3Å; L16-L20 WeakPolarHBondContact O-CG 3.38Å; L16-L20 PolarHBondContact O-N 3.24Å; V17-L20 PolarHBondContact O-N 3.24Å; L20-L23 PolarHBondContact O-N 3.29Å; L20-Y24 WeakPolarHBondContact O-CB 3.4Å; L20-Y24 PolarHBondContact O-N 3.5Å
21L83.7Confident89Confident78 Ų7880.8 Ų80.841%0.40841%0.409SS..Hα-helixtrans-63-45.8174.8-75.2171.1000111.5V17 V18 T19 Y24 G25 F45V17-L21 HydrophobicContact CG1-CD1 3.82Å; V17-L21 HydrophobicContact CG1-CG 4.35Å; V17-L21 WeakPolarHBondContact O-CB 3.34Å; V17-L21 VanDerWaalsContact O-CG 3.23Å; V17-L21 WeakPolarHBondContact O-CG 3.23Å; V17-L21 PolarHBondContact O-N 2.81Å; V18-L21 PolarHBondContact O-N 3.13Å; T19-L21 VanDerWaalsContact C-N 3.34Å; T19-L21 PolarHBondContact O-N 2.77Å; L21-Y24 WeakPolarHBondContact O-CB 3.47Å; L21-Y24 PolarHBondContact O-N 3.03Å; L21-G25 PolarHBondContact O-N 3.15Å; L21-F45 HydrophobicContact CB-CZ 4.4Å; L21-F45 WeakPolarHBondContact O-CZ 3.49Å
22L85.4Confident89.3Confident87 Ų8775.4 Ų75.446%0.45539%0.389SS..Hα-helixtrans-62.7-47.2176.7-73.9173.3000111.5V18 T19 Y24 G25 I26V18-L22 HydrophobicContact CG1-CD1 4.05Å; V18-L22 HydrophobicContact CG1-CG 4.43Å; V18-L22 WeakPolarHBondContact O-CB 3.43Å; V18-L22 WeakPolarHBondContact O-CG 3.47Å; V18-L22 PolarHBondContact O-N 3.32Å; T19-L22 PolarHBondContact O-N 3.38Å; L22-Y24 VanDerWaalsContact C-N 3.3Å; L22-Y24 PolarHBondContact O-N 3.09Å; L22-G25 PolarHBondContact O-N 2.92Å; L22-G25 VanDerWaalsContact O-N 3.11Å; L22-I26 VanDerWaalsContact O-CG1 3.31Å; L22-I26 WeakPolarHBondContact O-CG1 3.32Å; L22-I26 PolarHBondContact O-N 3.02Å; L22-I26 VanDerWaalsContact O-N 3.1Å
23L87.2Confident89.3Confident89 Ų8979.9 Ų79.947%0.46640%0.4SS..Hα-helixtrans-58.2-44.6176-74.9175.4000111.2T19 L20 G25 I26 W27T19-L23 HydrophobicContact CG2-CD1 4.1Å; T19-L23 HydrophobicContact CG2-CG 4.4Å; T19-L23 WeakPolarHBondContact O-CB 3.3Å; T19-L23 VanDerWaalsContact O-CG 3.31Å; T19-L23 WeakPolarHBondContact O-CG 3.44Å; T19-L23 PolarHBondContact O-N 3.2Å; L20-L23 PolarHBondContact O-N 3.29Å; L23-G25 VanDerWaalsContact C-N 3.32Å; L23-G25 PolarHBondContact O-N 3.47Å; L23-I26 HydrophobicContact CD2-CD1 4.47Å; L23-I26 PolarHBondContact O-N 3.4Å; L23-W27 WeakPolarHBondContact O-CB 3.41Å; L23-W27 PolarHBondContact O-N 3.33Å
24Y83.7Confident89.2Confident59 Ų5982.7 Ų82.723%0.23141%0.408CS..Hα-helixtrans-59.6-41.2174.9171.2-96.5000112.3L20 L21 L22 I26 F45 K77 P224L20-Y24 WeakPolarHBondContact O-CB 3.4Å; L20-Y24 PolarHBondContact O-N 3.5Å; L21-Y24 WeakPolarHBondContact O-CB 3.47Å; L21-Y24 PolarHBondContact O-N 3.03Å; L22-Y24 VanDerWaalsContact C-N 3.3Å; L22-Y24 PolarHBondContact O-N 3.09Å; Y24-I26 VanDerWaalsContact C-N 3.34Å; Y24-I26 PolarHBondContact O-N 2.84Å; Y24-F45 HydrophobicContact CD1-CE1 4.07Å; Y24-K77 HydrophobicContact CE1-CD 3.99Å; Y24-K77 HydrophobicContact CE2-CD 4.45Å; Y24-K77 WeakPolarHBondContact OH-CE 3.23Å; Y24-K77 PolarHBondContact OH-NZ 3.28Å; Y24-P224 HydrophobicContact CD1-CG 4.06Å; Y24-P224 HydrophobicContact CD2-CB 4.49Å; Y24-P224 HydrophobicContact CD2-CG 4.4Å; Y24-P224 HydrophobicContact CE1-CB 4.02Å; Y24-P224 HydrophobicContact CE1-CG 3.57Å; Y24-P224 HydrophobicContact CE2-CB 3.68Å; Y24-P224 HydrophobicContact CE2-CG 3.96Å; Y24-P224 HydrophobicContact CG-CG 4.44Å; Y24-P224 VanDerWaalsContact CZ-CB 3.4Å; Y24-P224 WeakPolarHBondContact OH-CA 3.4Å; Y24-P224 VanDerWaalsContact OH-CB 3.28Å; Y24-P224 WeakPolarHBondContact OH-CB 3.44Å
25G81.5Confident89.3Confident0 Ų081.5 Ų81.50%040%0.399CS..Hα-helixtrans-71.5-20.5179.700000115.3L21 L22 L23 H29 F45L21-G25 PolarHBondContact O-N 3.15Å; L22-G25 PolarHBondContact O-N 2.92Å; L22-G25 VanDerWaalsContact O-N 3.11Å; L23-G25 VanDerWaalsContact C-N 3.32Å; L23-G25 PolarHBondContact O-N 3.47Å; G25-H29 PolarHBondContact O-CE1 2.87Å; G25-F45 PolarHBondContact O-N 3.09Å; G25-F45 VanDerWaalsContact O-N 3.11Å
26I87.9Confident89.4Confident61 Ų6182.2 Ų82.231%0.31341%0.411SS..Hα-helixtrans-115.5-18.8-17670.4-173.3000114.3L22 L23 Y24 H29 P44L22-I26 VanDerWaalsContact O-CG1 3.31Å; L22-I26 WeakPolarHBondContact O-CG1 3.32Å; L22-I26 PolarHBondContact O-N 3.02Å; L22-I26 VanDerWaalsContact O-N 3.1Å; L23-I26 HydrophobicContact CD2-CD1 4.47Å; L23-I26 PolarHBondContact O-N 3.4Å; Y24-I26 VanDerWaalsContact C-N 3.34Å; Y24-I26 PolarHBondContact O-N 2.84Å; I26-H29 VanDerWaalsContact O-CB 3.29Å; I26-H29 WeakPolarHBondContact O-CB 3.4Å; I26-H29 PolarHBondContact O-N 2.67Å; I26-P44 HydrophobicContact CG2-CB 3.83Å; I26-P44 HydrophobicContact CG2-CG 3.9Å
27W86Confident89.5Confident188 Ų18878.4 Ų78.471%0.71239%0.392SS*.G310 helixtrans-57.5-42.2-174.4170.259.6000114L23 H29L23-W27 WeakPolarHBondContact O-CB 3.41Å; L23-W27 PolarHBondContact O-N 3.33Å; W27-H29 PolarHBondContact O-N 3.37Å
28P86.3Confident89.8Confident30 Ų3078 Ų7820%0.19539%0.393CS..G310 helixtrans-62.9-23.6177-23.835.7000114R30 F31 Y74 K77P28-R30 PolarHBondContact O-N 3.5Å; P28-F31 WeakPolarHBondContact O-CB 3.33Å; P28-F31 PolarHBondContact O-N 3.33Å; P28-F31 VanDerWaalsContact O-N 3.15Å; P28-Y74 VanDerWaalsContact O-CE1 3.28Å; P28-Y74 WeakPolarHBondContact O-CE1 3.36Å; P28-Y74 PolarHBondContact O-OH 3.41Å; P28-K77 HydrophobicContact CB-CB 4.39Å; P28-K77 HydrophobicContact CG-CB 4.03Å; P28-K77 HydrophobicContact CG-CD 4.35Å; P28-K77 HydrophobicContact CG-CG 4.13Å
29H89.2Confident90.2Very high26 Ų2675.8 Ų75.812%0.1239%0.385CS..G310 helixtrans-72.91.1-172.2-60.5162.8000114.9G25 I26 W27 P42 L43 Y74 G76G25-H29 PolarHBondContact O-CE1 2.87Å; I26-H29 VanDerWaalsContact O-CB 3.29Å; I26-H29 WeakPolarHBondContact O-CB 3.4Å; I26-H29 PolarHBondContact O-N 2.67Å; W27-H29 PolarHBondContact O-N 3.37Å; H29-P42 HydrophobicContact CB-CB 4.39Å; H29-P42 HydrophobicContact CB-CG 3.5Å; H29-P42 VanDerWaalsContact CB-CG 3.5Å; H29-P42 VanDerWaalsContact CG-CG 3.46Å; H29-L43 PolarHBondContact CE1-O 3.34Å; H29-Y74 VanDerWaalsContact C-OH 3.26Å; H29-Y74 VanDerWaalsContact CA-CZ 3.5Å; H29-Y74 HydrophobicContact CB-CE2 4.45Å; H29-Y74 AromaticContact CD2-CD1 3.62Å; H29-Y74 AromaticContact CD2-CG 3.69Å; H29-Y74 PolarHBondContact O-OH 3.43Å; H29-G76 PolarHBondContact NE2-O 3.28Å
30R91.1Very high90.4Very high162 Ų16273.3 Ų73.361%0.61137%0.37SS*.G310 helixtrans-90.5-9173.1-61.5-175.8-178-174.31.3113.2P28 K33 K34P28-R30 PolarHBondContact O-N 3.5Å; R30-K33 PolarHBondContact O-N 3.06Å; R30-K34 WeakPolarHBondContact O-CG 3.09Å; R30-K34 PolarHBondContact O-N 3.46Å; R30-K34 VanDerWaalsContact O-N 3.15Å
31F94.6Very high90.6Very high49 Ų4979.7 Ų79.722%0.21539%0.387CS..Hα-helixtrans-54.4-57.7-174.2177.2-97.6000113.5P28 K33 K34 I35 Y74 P79 P391 T394P28-F31 WeakPolarHBondContact O-CB 3.33Å; P28-F31 PolarHBondContact O-N 3.33Å; P28-F31 VanDerWaalsContact O-N 3.15Å; F31-K33 VanDerWaalsContact C-N 3.33Å; F31-K33 PolarHBondContact O-N 2.91Å; F31-K34 WeakPolarHBondContact O-CB 3.18Å; F31-K34 PolarHBondContact O-N 2.79Å; F31-K34 VanDerWaalsContact O-N 3.08Å; F31-I35 HydrophobicContact CD1-CD1 4.42Å; F31-I35 HydrophobicContact CE1-CD1 3.75Å; F31-I35 HydrophobicContact CZ-CD1 4.06Å; F31-I35 PolarHBondContact O-N 3.49Å; F31-Y74 HydrophobicContact CB-CE1 4.34Å; F31-Y74 WeakPolarHBondContact CB-OH 3.28Å; F31-Y74 PolarHBondContact N-OH 2.95Å; F31-Y74 VanDerWaalsContact N-OH 3.15Å; F31-P79 HydrophobicContact CD1-CB 3.6Å; F31-P79 HydrophobicContact CD1-CG 4.12Å; F31-P79 HydrophobicContact CE1-CB 4.03Å; F31-P79 HydrophobicContact CE1-CG 4.37Å; F31-P79 HydrophobicContact CG-CB 4.2Å; F31-P79 HydrophobicContact CG-CG 4.4Å; F31-P391 HydrophobicContact CE2-CB 4.16Å; F31-P391 HydrophobicContact CE2-CG 3.93Å; F31-P391 HydrophobicContact CZ-CB 4.12Å; F31-P391 HydrophobicContact CZ-CG 3.73Å; F31-T394 HydrophobicContact CE1-CG2 4.22Å; F31-T394 HydrophobicContact CZ-CG2 4.33Å; F31-T394 WeakPolarHBondContact CZ-OG1 3.24Å
32F95.6Very high91Very high7 Ų777.2 Ų77.23%0.03138%0.376CS..Hα-helixtrans-66.1-34.6-177-69.1-63.3000113.2K34 I35 G36 V37 L73 Y74 P79 L80 L81F32-K34 VanDerWaalsContact C-N 3.25Å; F32-K34 PolarHBondContact O-N 2.98Å; F32-I35 HydrophobicContact CD1-CD1 3.93Å; F32-I35 HydrophobicContact CD1-CG1 4.33Å; F32-I35 HydrophobicContact CE1-CD1 4.35Å; F32-I35 CarbonylContact O-C 3.57Å; F32-I35 WeakPolarHBondContact O-CG1 3.44Å; F32-I35 PolarHBondContact O-N 3.27Å; F32-G36 PolarHBondContact O-N 3.09Å; F32-G36 VanDerWaalsContact O-N 3.11Å; F32-V37 CarbonylContact C-O 3.52Å; F32-V37 HydrophobicContact CB-CB 4.14Å; F32-V37 HydrophobicContact CB-CG1 4.45Å; F32-V37 HydrophobicContact CD1-CB 3.9Å; F32-V37 HydrophobicContact CD1-CG1 3.89Å; F32-V37 HydrophobicContact CG-CB 4.43Å; F32-V37 HydrophobicContact CG-CG1 4.41Å; F32-V37 PolarHBondContact O-N 3.15Å; F32-L73 WeakPolarHBondContact CE2-O 3.43Å; F32-Y74 HydrophobicContact CD2-CD2 4.3Å; F32-Y74 HydrophobicContact CD2-CE1 4.07Å; F32-Y74 AromaticContact CD2-CE2 3.52Å; F32-Y74 HydrophobicContact CD2-CE2 3.52Å; F32-Y74 AromaticContact CD2-CZ 3.37Å; F32-Y74 WeakPolarHBondContact CD2-OH 3.47Å; F32-Y74 HydrophobicContact CE2-CD1 4.49Å; F32-Y74 HydrophobicContact CE2-CD2 4.48Å; F32-Y74 HydrophobicContact CE2-CE1 4.05Å; F32-Y74 HydrophobicContact CE2-CE2 4.06Å; F32-Y74 AromaticContact CE2-CZ 3.82Å; F32-Y74 PolarHBondContact N-OH 3.32Å; F32-P79 HydrophobicContact CE2-CB 3.64Å; F32-P79 HydrophobicContact CZ-CB 3.63Å; F32-L80 WeakPolarHBondContact CZ-O 3.36Å; F32-L81 HydrophobicContact CD1-CD1 4.46Å; F32-L81 HydrophobicContact CE1-CB 3.97Å; F32-L81 HydrophobicContact CE1-CD1 3.99Å; F32-L81 HydrophobicContact CZ-CB 4.38Å
33K92.4Very high91.2Very high188 Ų18876.6 Ų76.682%0.81737%0.373SS*.Hα-helixtrans-60.6-35.1173.9-171.9176.4-179.8179.30112.1R30 F31R30-K33 PolarHBondContact O-N 3.06Å; F31-K33 VanDerWaalsContact C-N 3.33Å; F31-K33 PolarHBondContact O-N 2.91Å
34K92.3Very high91.2Very high170 Ų17075.5 Ų75.574%0.73937%0.371SS*.Hα-helixtrans-71-34.2178.1-73.2-179.6177.6-172.60112.9R30 F31 F32 G36R30-K34 WeakPolarHBondContact O-CG 3.09Å; R30-K34 PolarHBondContact O-N 3.46Å; R30-K34 VanDerWaalsContact O-N 3.15Å; F31-K34 WeakPolarHBondContact O-CB 3.18Å; F31-K34 PolarHBondContact O-N 2.79Å; F31-K34 VanDerWaalsContact O-N 3.08Å; F32-K34 VanDerWaalsContact C-N 3.25Å; F32-K34 PolarHBondContact O-N 2.98Å; K34-G36 VanDerWaalsContact C-N 3.35Å
35I93.4Very high91.2Very high45 Ų4575 Ų7523%0.23137%0.37CS..THydrogen-bonded Turntrans-9511.5-179.964166.9000113.1F31 F32 V37 P391F31-I35 HydrophobicContact CD1-CD1 4.42Å; F31-I35 HydrophobicContact CE1-CD1 3.75Å; F31-I35 HydrophobicContact CZ-CD1 4.06Å; F31-I35 PolarHBondContact O-N 3.49Å; F32-I35 HydrophobicContact CD1-CD1 3.93Å; F32-I35 HydrophobicContact CD1-CG1 4.33Å; F32-I35 HydrophobicContact CE1-CD1 4.35Å; F32-I35 CarbonylContact O-C 3.57Å; F32-I35 WeakPolarHBondContact O-CG1 3.44Å; F32-I35 PolarHBondContact O-N 3.27Å; I35-V37 VanDerWaalsContact C-N 3.28Å; I35-V37 HydrophobicContact CD1-CB 4.49Å; I35-V37 HydrophobicContact CD1-CG2 3.93Å; I35-V37 HydrophobicContact CG1-CB 4.27Å; I35-V37 HydrophobicContact CG1-CG2 3.95Å; I35-V37 PolarHBondContact O-N 3.03Å; I35-P391 HydrophobicContact CG2-CG 3.81Å
36G93.8Very high91.3Very high68 Ų6876.2 Ų76.270%0.70138%0.38SS*.THydrogen-bonded Turntrans72.614.5175.800000115.3F32 K34F32-G36 PolarHBondContact O-N 3.09Å; F32-G36 VanDerWaalsContact O-N 3.11Å; K34-G36 VanDerWaalsContact C-N 3.35Å
37V96.5Very high91.4Very high15 Ų1573.4 Ų73.49%0.09137%0.366CS..  trans-92.8130.5179.9174.20000110.3F32 I35 I70 L81 L388F32-V37 CarbonylContact C-O 3.52Å; F32-V37 HydrophobicContact CB-CB 4.14Å; F32-V37 HydrophobicContact CB-CG1 4.45Å; F32-V37 HydrophobicContact CD1-CB 3.9Å; F32-V37 HydrophobicContact CD1-CG1 3.89Å; F32-V37 HydrophobicContact CG-CB 4.43Å; F32-V37 HydrophobicContact CG-CG1 4.41Å; F32-V37 PolarHBondContact O-N 3.15Å; I35-V37 VanDerWaalsContact C-N 3.28Å; I35-V37 HydrophobicContact CD1-CB 4.49Å; I35-V37 HydrophobicContact CD1-CG2 3.93Å; I35-V37 HydrophobicContact CG1-CB 4.27Å; I35-V37 HydrophobicContact CG1-CG2 3.95Å; I35-V37 PolarHBondContact O-N 3.03Å; V37-I70 HydrophobicContact CG1-CG2 4.39Å; V37-L81 HydrophobicContact CG1-CD1 3.88Å; V37-L81 HydrophobicContact CG2-CD1 4.15Å; V37-L388 HydrophobicContact CG2-CD1 3.83Å
38S96.8Very high91.7Very high73 Ų7364.9 Ų64.951%0.5133%0.334SS..  trans-83.1156.6177.2-67.60000112W71 G72S38-W71 CarbonylContact O-C 3.53Å; S38-W71 VanDerWaalsContact O-CA 3.24Å; S38-W71 WeakPolarHBondContact O-CA 3.44Å; S38-G72 PolarHBondContact O-N 2.77Å
39G96.2Very high91.6Very high27 Ų2766.6 Ų66.628%0.27834%0.341SS..  trans-178.2171.2177.700000113.6Y67 G72G39-Y67 PolarHBondContact O-OH 3.33Å; G39-G72 WeakPolarHBondContact CA-O 3.24Å
40P95.4Very high91.4Very high20 Ų2071.3 Ų71.313%0.1337%0.365CS..PPolyproline II helixtrans-63.4140.6175.426-33.9000111.5P42 N48 F59 Y67 G72 L73P40-P42 WeakPolarHBondContact O-CD 3.43Å; P40-N48 PolarHBondContact O-ND2 3.05Å; P40-F59 HydrophobicContact CG-CZ 3.99Å; P40-Y67 WeakPolarHBondContact CA-OH 3.42Å; P40-Y67 HydrophobicContact CB-CE2 4.33Å; P40-Y67 HydrophobicContact CG-CE2 4.48Å; P40-G72 WeakPolarHBondContact CD-O 3.28Å; P40-L73 HydrophobicContact CG-CD2 3.41Å; P40-L73 VanDerWaalsContact CG-CD2 3.41Å
41R93.2Very high91.1Very high231 Ų23164.4 Ų64.487%0.87234%0.344SS*.PPolyproline II helixtrans-61.9121.8179-175.1177.1179175.2-0.5110N48R41-N48 PolarHBondContact O-ND2 2.93Å
42P93.1Very high90.5Very high26 Ų2662.7 Ų62.717%0.16934%0.337CS..PPolyproline II helixtrans-76.6148.7178.529.7-33.4000111.7H29 P40 Y74H29-P42 HydrophobicContact CB-CB 4.39Å; H29-P42 HydrophobicContact CB-CG 3.5Å; H29-P42 VanDerWaalsContact CB-CG 3.5Å; H29-P42 VanDerWaalsContact CG-CG 3.46Å; P40-P42 WeakPolarHBondContact O-CD 3.43Å; P42-Y74 HydrophobicContact CB-CD2 3.77Å; P42-Y74 HydrophobicContact CB-CG 4.24Å; P42-Y74 HydrophobicContact CG-CD2 3.72Å; P42-Y74 HydrophobicContact CG-CE2 4Å; P42-Y74 HydrophobicContact CG-CG 4.5Å
43L89.9Confident89.9Confident75 Ų7567.3 Ų67.339%0.39337%0.37SS..BIsolated β-bridgetrans-86148168.9-63.9175.6000110.4H29 F45 A46 G47 M50H29-L43 PolarHBondContact CE1-O 3.34Å; L43-F45 PolarHBondContact O-N 3.3Å; L43-A46 HydrophobicContact CB-CB 4.45Å; L43-G47 PolarHBondContact N-O 3.16Å; L43-G47 WeakPolarHBondContact O-CA 3.45Å; L43-G47 PolarHBondContact O-N 3.36Å; L43-M50 HydrophobicContact CD1-CB 4.12Å; L43-M50 HydrophobicContact CD1-CE 3.88Å; L43-M50 HydrophobicContact CD1-CG 3.79Å; L43-M50 HydrophobicContact CD1-SD 3.24Å; L43-M50 WeakPolarHBondContact CD1-SD 3.47Å
44P86.4Confident89.4Confident66 Ų6663.8 Ų63.843%0.42936%0.355SS..THydrogen-bonded Turntrans-52.3134.8174.6-2534000111.7I26 A46I26-P44 HydrophobicContact CG2-CB 3.83Å; I26-P44 HydrophobicContact CG2-CG 3.9Å; P44-A46 PolarHBondContact O-N 2.79Å
45F82.9Confident89Confident47 Ų4756.1 Ų56.121%0.20632%0.324CS..THydrogen-bonded Turntrans63.7-45.1-176.7-53.7-89000116.4L21 Y24 G25 L43 G76L21-F45 HydrophobicContact CB-CZ 4.4Å; L21-F45 WeakPolarHBondContact O-CZ 3.49Å; Y24-F45 HydrophobicContact CD1-CE1 4.07Å; G25-F45 PolarHBondContact O-N 3.09Å; G25-F45 VanDerWaalsContact O-N 3.11Å; L43-F45 PolarHBondContact O-N 3.3Å; F45-G76 CarbonylContact O-C 3.36Å; F45-G76 WeakPolarHBondContact O-CA 3.5Å
46A84.5Confident88.7Confident27 Ų2754.8 Ų54.822%0.22332%0.317CS..THydrogen-bonded Turntrans-81.5-19.3-17500000113.3L43 P44 N48 L49 G76L43-A46 HydrophobicContact CB-CB 4.45Å; P44-A46 PolarHBondContact O-N 2.79Å; A46-N48 PolarHBondContact O-N 3.44Å; A46-L49 WeakPolarHBondContact O-CB 3.32Å; A46-L49 WeakPolarHBondContact O-CD1 3.44Å; A46-L49 WeakPolarHBondContact O-CG 3.24Å; A46-L49 PolarHBondContact O-N 3.5Å; A46-G76 PolarHBondContact O-N 3.14Å
47G90Very high88.5Confident1 Ų153.7 Ų53.71%0.0130%0.295CS..BIsolated β-bridgetrans62-127.2-174.400000110.6L43 Y74L43-G47 PolarHBondContact N-O 3.16Å; L43-G47 WeakPolarHBondContact O-CA 3.45Å; L43-G47 PolarHBondContact O-N 3.36Å; G47-Y74 CarbonylContact C-O 3.6Å; G47-Y74 WeakPolarHBondContact CA-O 3.41Å
48N91.4Very high88.2Confident9 Ų956.3 Ų56.35%0.04831%0.311CS..THydrogen-bonded Turntrans-101.611.1178.2-55.9108.3000113.4P40 R41 A46 M50 G51 F59 L73 Y74P40-N48 PolarHBondContact O-ND2 3.05Å; R41-N48 PolarHBondContact O-ND2 2.93Å; A46-N48 PolarHBondContact O-N 3.44Å; N48-M50 PolarHBondContact O-N 3.3Å; N48-M50 VanDerWaalsContact O-N 3.14Å; N48-G51 WeakPolarHBondContact O-CA 3.47Å; N48-G51 PolarHBondContact O-N 3.05Å; N48-F59 HydrophobicContact CB-CZ 4.1Å; N48-L73 HydrophobicContact CB-CD2 4.49Å; N48-Y74 PolarHBondContact N-O 2.9Å; N48-Y74 PolarHBondContact OD1-N 3.02Å
49L85.8Confident88Confident66 Ų6653.5 Ų53.535%0.34629%0.29SS..G310 helixtrans-56.8-32.3-177.4-68.9174.2000113.5A46 G51 F52 E75A46-L49 WeakPolarHBondContact O-CB 3.32Å; A46-L49 WeakPolarHBondContact O-CD1 3.44Å; A46-L49 WeakPolarHBondContact O-CG 3.24Å; A46-L49 PolarHBondContact O-N 3.5Å; L49-G51 PolarHBondContact O-N 3.11Å; L49-F52 HydrophobicContact CD2-CD2 3.89Å; L49-F52 HydrophobicContact CD2-CE2 3.7Å; L49-F52 WeakPolarHBondContact O-CB 3.29Å; L49-F52 PolarHBondContact O-N 3.08Å; L49-F52 VanDerWaalsContact O-N 3.11Å; L49-E75 HydrophobicContact CD2-CB 4.4Å; L49-E75 HydrophobicContact CD2-CG 4.36Å
50M84.4Confident87.9Confident125 Ų12552.2 Ų52.262%0.61628%0.276SS*.G310 helixtrans-63.9-25.3175.3-70.4-163.7-174.200113L43 N48 F52 S53L43-M50 HydrophobicContact CD1-CB 4.12Å; L43-M50 HydrophobicContact CD1-CE 3.88Å; L43-M50 HydrophobicContact CD1-CG 3.79Å; L43-M50 HydrophobicContact CD1-SD 3.24Å; L43-M50 WeakPolarHBondContact CD1-SD 3.47Å; N48-M50 PolarHBondContact O-N 3.3Å; N48-M50 VanDerWaalsContact O-N 3.14Å; M50-F52 PolarHBondContact O-N 2.84Å; M50-S53 VanDerWaalsContact O-CB 3.31Å; M50-S53 WeakPolarHBondContact O-CB 3.37Å; M50-S53 PolarHBondContact O-N 3.48Å; M50-S53 VanDerWaalsContact O-N 3.17Å; M50-S53 PolarHBondContact O-OG 3.2Å
51G84.1Confident87.8Confident17 Ų1756.7 Ų56.718%0.17529%0.291CS..G310 helixtrans-61.5-31.317400000112.7N48 L49 S53 K54N48-G51 WeakPolarHBondContact O-CA 3.47Å; N48-G51 PolarHBondContact O-N 3.05Å; L49-G51 PolarHBondContact O-N 3.11Å; G51-S53 PolarHBondContact O-N 3.39Å; G51-K54 PolarHBondContact O-N 3.17Å
52F82Confident87.9Confident14 Ų1449.8 Ų49.86%0.06127%0.268CS..G310 helixtrans-70.5-10.3178.2-56.1-30.7000113.7L49 M50 K54 G55 L56 F59 E75 W481L49-F52 HydrophobicContact CD2-CD2 3.89Å; L49-F52 HydrophobicContact CD2-CE2 3.7Å; L49-F52 WeakPolarHBondContact O-CB 3.29Å; L49-F52 PolarHBondContact O-N 3.08Å; L49-F52 VanDerWaalsContact O-N 3.11Å; M50-F52 PolarHBondContact O-N 2.84Å; F52-K54 PolarHBondContact O-N 3.34Å; F52-G55 WeakPolarHBondContact O-CA 3.49Å; F52-G55 PolarHBondContact O-N 2.94Å; F52-L56 HydrophobicContact CD1-CD1 4.1Å; F52-L56 HydrophobicContact CE1-CD1 4.04Å; F52-L56 HydrophobicContact CZ-CD1 4.41Å; F52-F59 HydrophobicContact CD1-CB 4.41Å; F52-F59 AromaticContact CD1-CD1 3.56Å; F52-F59 HydrophobicContact CD1-CD1 3.56Å; F52-F59 HydrophobicContact CD1-CE1 4.07Å; F52-F59 HydrophobicContact CD1-CG 4.13Å; F52-F59 AromaticContact CE1-CD1 3.43Å; F52-F59 HydrophobicContact CE1-CD1 3.43Å; F52-F59 VanDerWaalsContact CE1-CD1 3.43Å; F52-F59 AromaticContact CE1-CE1 3.66Å; F52-F59 HydrophobicContact CE1-CE1 3.66Å; F52-F59 HydrophobicContact CE1-CG 4.42Å; F52-E75 HydrophobicContact CE2-CG 4.41Å; F52-W481 HydrophobicContact CB-CB 4.04Å; F52-W481 VanDerWaalsContact O-CB 3.3Å; F52-W481 WeakPolarHBondContact O-CB 3.3Å
53S82.4Confident88.1Confident104 Ų10448.8 Ų48.873%0.72726%0.262SS*.G310 helixtrans-60.6-24171.463.80000113.1M50 G51 G55M50-S53 VanDerWaalsContact O-CB 3.31Å; M50-S53 WeakPolarHBondContact O-CB 3.37Å; M50-S53 PolarHBondContact O-N 3.48Å; M50-S53 VanDerWaalsContact O-N 3.17Å; M50-S53 PolarHBondContact O-OG 3.2Å; G51-S53 PolarHBondContact O-N 3.39Å; S53-G55 PolarHBondContact O-N 2.75Å
54K82.2Confident88.4Confident114 Ų11446.6 Ų46.650%0.49625%0.25SC..G310 helixtrans-79-1172.4-59.6-177.9175.4-171.40113.9G51 F52 T58 E62G51-K54 PolarHBondContact O-N 3.17Å; F52-K54 PolarHBondContact O-N 3.34Å; K54-T58 WeakPolarHBondContact O-CB 3.37Å; K54-T58 PolarHBondContact O-OG1 3.25Å; K54-E62 IonicContact NZ-OE1 2.73Å; K54-E62 PolarHBondContact NZ-OE1 2.83Å; K54-E62 IonicContact NZ-OE2 3.63Å; K54-E62 PolarHBondContact NZ-OE2 3.5Å
55G84.8Confident88.8Confident8 Ų847.8 Ų47.88%0.08227%0.265CS..  trans90.4146.1-167.200000112.5F52 S53 L57 F59F52-G55 WeakPolarHBondContact O-CA 3.49Å; F52-G55 PolarHBondContact O-N 2.94Å; S53-G55 PolarHBondContact O-N 2.75Å; G55-L57 VanDerWaalsContact C-N 3.33Å; G55-L57 PolarHBondContact O-N 3.02Å; G55-F59 WeakPolarHBondContact O-CB 3.44Å; G55-F59 PolarHBondContact O-N 3.03Å
56L87.3Confident89.5Confident17 Ų1752.8 Ų52.89%0.08929%0.287CS..Hα-helixtrans-57.2-45.3-177.1-16975.1000112.2F52 D60 P373 F483F52-L56 HydrophobicContact CD1-CD1 4.1Å; F52-L56 HydrophobicContact CE1-CD1 4.04Å; F52-L56 HydrophobicContact CZ-CD1 4.41Å; L56-D60 PolarHBondContact O-N 2.95Å; L56-D60 VanDerWaalsContact O-N 3.11Å; L56-P373 HydrophobicContact CD2-CB 4.32Å; L56-P373 HydrophobicContact CD2-CG 3.87Å; L56-F483 HydrophobicContact CD2-CB 4.17Å
57L89.3Confident90.1Very high45 Ų4554.3 Ų54.324%0.23629%0.287CS..Hα-helixtrans-70-45.9-172.6-46.6177.2000112.1G55 F59 D60 R61 P373 H401 F479 F483G55-L57 VanDerWaalsContact C-N 3.33Å; G55-L57 PolarHBondContact O-N 3.02Å; L57-F59 VanDerWaalsContact C-N 3.31Å; L57-F59 PolarHBondContact O-N 3.2Å; L57-D60 PolarHBondContact O-N 3.22Å; L57-R61 WeakPolarHBondContact O-CB 3.19Å; L57-R61 PolarHBondContact O-N 2.94Å; L57-P373 HydrophobicContact CD2-CB 4.31Å; L57-H401 WeakPolarHBondContact CA-NE2 3.48Å; L57-H401 HydrophobicContact CD2-CB 3.85Å; L57-H401 WeakPolarHBondContact CD2-CD2 3.38Å; L57-F479 HydrophobicContact CD1-CD2 3.88Å; L57-F479 HydrophobicContact CD1-CE2 4.49Å; L57-F483 HydrophobicContact CD1-CD2 4.14Å; L57-F483 HydrophobicContact CD1-CE2 3.71Å; L57-F483 HydrophobicContact CD2-CD2 3.59Å; L57-F483 HydrophobicContact CD2-CE2 3.44Å; L57-F483 VanDerWaalsContact CD2-CE2 3.44Å; L57-F483 HydrophobicContact CG-CD2 3.99Å; L57-F483 HydrophobicContact CG-CE2 3.95Å
58T90.2Very high90.5Very high71 Ų7155.9 Ų55.944%0.43630%0.303SS..Hα-helixtrans-61-45.1178.3-48.80000110.3K54 R61 E62K54-T58 WeakPolarHBondContact O-CB 3.37Å; K54-T58 PolarHBondContact O-OG1 3.25Å; T58-R61 PolarHBondContact O-N 2.9Å; T58-E62 WeakPolarHBondContact O-CG 3.31Å; T58-E62 PolarHBondContact O-N 2.97Å
59F92.5Very high90.7Very high14 Ų1457.2 Ų57.26%0.06131%0.31CS..Hα-helixtrans-64.3-43.1-179-180-106.9000112.6P40 N48 F52 G55 L57 E62 C63 L73P40-F59 HydrophobicContact CG-CZ 3.99Å; N48-F59 HydrophobicContact CB-CZ 4.1Å; F52-F59 HydrophobicContact CD1-CB 4.41Å; F52-F59 AromaticContact CD1-CD1 3.56Å; F52-F59 HydrophobicContact CD1-CD1 3.56Å; F52-F59 HydrophobicContact CD1-CE1 4.07Å; F52-F59 HydrophobicContact CD1-CG 4.13Å; F52-F59 AromaticContact CE1-CD1 3.43Å; F52-F59 HydrophobicContact CE1-CD1 3.43Å; F52-F59 VanDerWaalsContact CE1-CD1 3.43Å; F52-F59 AromaticContact CE1-CE1 3.66Å; F52-F59 HydrophobicContact CE1-CE1 3.66Å; F52-F59 HydrophobicContact CE1-CG 4.42Å; G55-F59 WeakPolarHBondContact O-CB 3.44Å; G55-F59 PolarHBondContact O-N 3.03Å; L57-F59 VanDerWaalsContact C-N 3.31Å; L57-F59 PolarHBondContact O-N 3.2Å; F59-E62 PolarHBondContact O-N 3.46Å; F59-C63 PolarHBondContact O-N 3.43Å; F59-C63 PolarHBondContact O-SG 2.89Å; F59-L73 HydrophobicContact CE1-CD1 4.05Å; F59-L73 HydrophobicContact CE1-CD2 3.72Å; F59-L73 HydrophobicContact CZ-CD2 3.92Å
60D93.9Very high91.3Very high0 Ų056.5 Ų56.50%031%0.306CS..Hα-helixtrans-64.3-41.6176.1-80.5-7.9000111.7L56 L57 C63 Q64 W71 R374 H401 L402L56-D60 PolarHBondContact O-N 2.95Å; L56-D60 VanDerWaalsContact O-N 3.11Å; L57-D60 PolarHBondContact O-N 3.22Å; D60-C63 PolarHBondContact O-N 3.12Å; D60-Q64 PolarHBondContact O-N 3.44Å; D60-W71 HydrophobicContact CB-CZ2 4.4Å; D60-R374 IonicContact OD1-CZ 3.05Å; D60-R374 IonicContact OD1-NE 3.25Å; D60-R374 IonicContact OD1-NH2 2.88Å; D60-R374 PolarHBondContact OD1-NH2 3.46Å; D60-R374 IonicContact OD2-CZ 2.71Å; D60-R374 IonicContact OD2-NE 3.2Å; D60-R374 PolarHBondContact OD2-NE 3.44Å; D60-R374 IonicContact OD2-NH2 3.83Å; D60-R374 PolarHBondContact OD2-NH2 3Å; D60-H401 IonicContact OD2-CE1 3.9Å; D60-H401 PolarHBondContact OD2-CE1 3.4Å; D60-H401 VanDerWaalsContact OD2-CE1 3.25Å; D60-L402 HydrophobicContact CB-CD1 3.77Å; D60-L402 HydrophobicContact CB-CD2 4.39Å; D60-L402 HydrophobicContact CB-CG 4.14Å
61R94.1Very high92Very high113 Ų11350.6 Ų50.643%0.42628%0.277SS..Hα-helixtrans-62.5-44.7177.5-171.3175.6-73.3-152.50.5111.7L57 T58 C63 Q64 A65 L402 E414L57-R61 WeakPolarHBondContact O-CB 3.19Å; L57-R61 PolarHBondContact O-N 2.94Å; T58-R61 PolarHBondContact O-N 2.9Å; R61-C63 VanDerWaalsContact C-N 3.3Å; R61-C63 PolarHBondContact O-N 3.31Å; R61-Q64 PolarHBondContact O-N 3.34Å; R61-A65 WeakPolarHBondContact O-CB 3.23Å; R61-A65 PolarHBondContact O-N 2.9Å; R61-L402 HydrophobicContact CB-CD2 3.71Å; R61-L402 HydrophobicContact CG-CD2 4.3Å; R61-E414 IonicContact CZ-OE1 3.86Å; R61-E414 IonicContact NH1-OE1 3.89Å; R61-E414 PolarHBondContact NH1-OE1 3.21Å; R61-E414 VanDerWaalsContact NH1-OE1 3.12Å; R61-E414 IonicContact NH2-OE1 2.75Å; R61-E414 PolarHBondContact NH2-OE1 3.26Å
62E95.1Very high92.6Very high87 Ų8749.9 Ų49.941%0.40727%0.27SS..Hα-helixtrans-60.2-40.6174.7-74.9-179179.600111.7K54 T58 F59 K66K54-E62 IonicContact NZ-OE1 2.73Å; K54-E62 PolarHBondContact NZ-OE1 2.83Å; K54-E62 IonicContact NZ-OE2 3.63Å; K54-E62 PolarHBondContact NZ-OE2 3.5Å; T58-E62 WeakPolarHBondContact O-CG 3.31Å; T58-E62 PolarHBondContact O-N 2.97Å; F59-E62 PolarHBondContact O-N 3.46Å; E62-K66 WeakPolarHBondContact O-CB 3.48Å; E62-K66 PolarHBondContact O-N 3.19Å
63C96.6Very high93.2Very high4 Ų449.2 Ų49.23%0.02727%0.267CS..Hα-helixtrans-67-48.6177.9-700000111.8F59 D60 R61 A65 K66 Y67 W71F59-C63 PolarHBondContact O-N 3.43Å; F59-C63 PolarHBondContact O-SG 2.89Å; D60-C63 PolarHBondContact O-N 3.12Å; R61-C63 VanDerWaalsContact C-N 3.3Å; R61-C63 PolarHBondContact O-N 3.31Å; C63-A65 VanDerWaalsContact C-N 3.33Å; C63-A65 PolarHBondContact O-N 2.96Å; C63-K66 PolarHBondContact O-N 2.88Å; C63-K66 VanDerWaalsContact O-N 3.16Å; C63-Y67 HydrophobicContact CB-CD2 4.21Å; C63-Y67 WeakPolarHBondContact O-CB 3.39Å; C63-Y67 VanDerWaalsContact O-CD2 3.23Å; C63-Y67 WeakPolarHBondContact O-CD2 3.34Å; C63-Y67 PolarHBondContact O-N 3.44Å; C63-W71 HydrophobicContact CB-CD2 4.23Å; C63-W71 HydrophobicContact CB-CG 4.17Å; C63-W71 HydrophobicContact CB-CZ2 4.33Å
64Q96.3Very high93.7Very high30 Ų3044.7 Ų44.714%0.1423%0.234CC..Hα-helixtrans-59.8-44.9178.6-171.2-169.525.200111.1D60 R61 K66 G68 D69 W71 L402D60-Q64 PolarHBondContact O-N 3.44Å; R61-Q64 PolarHBondContact O-N 3.34Å; Q64-K66 PolarHBondContact O-N 3.29Å; Q64-G68 WeakPolarHBondContact CA-O 3.48Å; Q64-G68 CarbonylContact O-C 3.55Å; Q64-G68 VanDerWaalsContact O-CA 3.28Å; Q64-G68 WeakPolarHBondContact O-CA 3.43Å; Q64-G68 PolarHBondContact O-N 3.04Å; Q64-D69 PolarHBondContact NE2-OD1 3.01Å; Q64-W71 HydrophobicContact CB-CH2 4.06Å; Q64-W71 HydrophobicContact CB-CZ3 3.98Å; Q64-W71 HydrophobicContact CG-CZ3 4.13Å; Q64-L402 HydrophobicContact CB-CD1 3.97Å
65A96.2Very high93.9Very high91 Ų9141 Ų4175%0.75222%0.218SC*.Hα-helixtrans-61.2-3217900000113R61 C63R61-A65 WeakPolarHBondContact O-CB 3.23Å; R61-A65 PolarHBondContact O-N 2.9Å; C63-A65 VanDerWaalsContact C-N 3.33Å; C63-A65 PolarHBondContact O-N 2.96Å
66K97.4Very high94Very high152 Ų15240.6 Ų40.666%0.66121%0.214SC*.Hα-helixtrans-90.7-35.5-177.2-175.3172.2179-177.90114E62 C63 Q64E62-K66 WeakPolarHBondContact O-CB 3.48Å; E62-K66 PolarHBondContact O-N 3.19Å; C63-K66 PolarHBondContact O-N 2.88Å; C63-K66 VanDerWaalsContact O-N 3.16Å; Q64-K66 PolarHBondContact O-N 3.29Å
67Y97.2Very high93.8Very high58 Ų5842.3 Ų42.323%0.22722%0.221CC..Hα-helixtrans-113.4-6.7-169.4-58-65.1000113.4G39 P40 C63 W71G39-Y67 PolarHBondContact O-OH 3.33Å; P40-Y67 WeakPolarHBondContact CA-OH 3.42Å; P40-Y67 HydrophobicContact CB-CE2 4.33Å; P40-Y67 HydrophobicContact CG-CE2 4.48Å; C63-Y67 HydrophobicContact CB-CD2 4.21Å; C63-Y67 WeakPolarHBondContact O-CB 3.39Å; C63-Y67 VanDerWaalsContact O-CD2 3.23Å; C63-Y67 WeakPolarHBondContact O-CD2 3.34Å; C63-Y67 PolarHBondContact O-N 3.44Å; Y67-W71 HydrophobicContact CD2-CB 4.37Å; Y67-W71 HydrophobicContact CG-CB 4.29Å
68G96.7Very high93.6Very high34 Ų3443.7 Ų43.735%0.35123%0.232SC..  trans84.3-163.4-175.400000112.5Q64 I70Q64-G68 WeakPolarHBondContact CA-O 3.48Å; Q64-G68 CarbonylContact O-C 3.55Å; Q64-G68 VanDerWaalsContact O-CA 3.28Å; Q64-G68 WeakPolarHBondContact O-CA 3.43Å; Q64-G68 PolarHBondContact O-N 3.04Å; G68-I70 PolarHBondContact O-N 2.85Å
69D97.2Very high93.8Very high37 Ų3741.8 Ų41.820%0.19822%0.22CC..SBendtrans-75.6-5.6-174.4-69.8-40.2000114.5Q64 V83 A84 D85 R408Q64-D69 PolarHBondContact NE2-OD1 3.01Å; D69-V83 CarbonylContact O-C 3.58Å; D69-V83 WeakPolarHBondContact O-CA 3.05Å; D69-A84 HydrophobicContact CB-CB 4.09Å; D69-A84 PolarHBondContact O-N 2.84Å; D69-D85 HydrophobicContact CB-CB 4.37Å; D69-R408 IonicContact OD1-CZ 3.81Å; D69-R408 IonicContact OD1-NH1 2.98Å; D69-R408 IonicContact OD1-NH2 3.2Å; D69-R408 PolarHBondContact OD1-NH2 2.92Å; D69-R408 IonicContact OD2-CZ 3.66Å; D69-R408 IonicContact OD2-NH1 2.65Å; D69-R408 PolarHBondContact OD2-NH1 3.26Å; D69-R408 IonicContact OD2-NH2 2.66Å; D69-R408 PolarHBondContact OD2-NH2 3.4Å
70I98Very high93.9Very high52 Ų5241.1 Ų41.127%0.26722%0.217SC..EExtended strand (participates in β ladder)trans-130.6118.2178.8-56163.3000108.2V37 G68 L81 M82 I88 L388V37-I70 HydrophobicContact CG1-CG2 4.39Å; G68-I70 PolarHBondContact O-N 2.85Å; I70-L81 HydrophobicContact CG2-CD1 3.88Å; I70-M82 WeakPolarHBondContact CA-O 3.24Å; I70-I88 HydrophobicContact CD1-CD1 3.63Å; I70-I88 HydrophobicContact CG1-CD1 4.29Å; I70-L388 HydrophobicContact CD1-CD2 4.18Å; I70-L388 HydrophobicContact CG2-CD1 4.22Å; I70-L388 HydrophobicContact CG2-CD2 4.04Å
71W98.1Very high94.1Very high0 Ų041.1 Ų41.10%022%0.217CC..EExtended strand (participates in β ladder)trans-146.2153.5176.771.597.8000112.8S38 D60 C63 Q64 Y67 M82 A84 P399 L402S38-W71 CarbonylContact O-C 3.53Å; S38-W71 VanDerWaalsContact O-CA 3.24Å; S38-W71 WeakPolarHBondContact O-CA 3.44Å; D60-W71 HydrophobicContact CB-CZ2 4.4Å; C63-W71 HydrophobicContact CB-CD2 4.23Å; C63-W71 HydrophobicContact CB-CG 4.17Å; C63-W71 HydrophobicContact CB-CZ2 4.33Å; Q64-W71 HydrophobicContact CB-CH2 4.06Å; Q64-W71 HydrophobicContact CB-CZ3 3.98Å; Q64-W71 HydrophobicContact CG-CZ3 4.13Å; Y67-W71 HydrophobicContact CD2-CB 4.37Å; Y67-W71 HydrophobicContact CG-CB 4.29Å; W71-M82 HydrophobicContact CD2-CB 3.47Å; W71-M82 VanDerWaalsContact CD2-CB 3.47Å; W71-M82 HydrophobicContact CD2-CG 4.25Å; W71-M82 HydrophobicContact CE3-CB 3.87Å; W71-M82 HydrophobicContact CG-CB 4.02Å; W71-M82 HydrophobicContact CH2-CB 3.89Å; W71-M82 HydrophobicContact CZ2-CB 3.44Å; W71-M82 VanDerWaalsContact CZ2-CB 3.44Å; W71-M82 HydrophobicContact CZ2-CE 4.07Å; W71-M82 HydrophobicContact CZ2-CG 3.79Å; W71-M82 HydrophobicContact CZ3-CB 4.07Å; W71-M82 PolarHBondContact N-O 3.44Å; W71-M82 VanDerWaalsContact N-O 3.1Å; W71-M82 PolarHBondContact O-N 3.4Å; W71-A84 HydrophobicContact CZ3-CB 4.27Å; W71-P399 HydrophobicContact CH2-CB 4.4Å; W71-P399 HydrophobicContact CH2-CG 3.82Å; W71-L402 HydrophobicContact CH2-CD1 3.88Å; W71-L402 HydrophobicContact CZ2-CD1 4.47Å
72G97.3Very high94.3Very high2 Ų235.7 Ų35.72%0.02120%0.197CC..EExtended strand (participates in β ladder)trans-98.6132.5178.800000112.2S38 G39 P40S38-G72 PolarHBondContact O-N 2.77Å; G39-G72 WeakPolarHBondContact CA-O 3.24Å; P40-G72 WeakPolarHBondContact CD-O 3.28Å
73L95.4Very high94.4Very high1 Ų131.6 Ų31.61%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-122.2156.5172.1-62.1-179000110.6F32 P40 N48 F59 L80 M82F32-L73 WeakPolarHBondContact CE2-O 3.43Å; P40-L73 HydrophobicContact CG-CD2 3.41Å; P40-L73 VanDerWaalsContact CG-CD2 3.41Å; N48-L73 HydrophobicContact CB-CD2 4.49Å; F59-L73 HydrophobicContact CE1-CD1 4.05Å; F59-L73 HydrophobicContact CE1-CD2 3.72Å; F59-L73 HydrophobicContact CZ-CD2 3.92Å; L73-L80 HydrophobicContact CB-CB 4.27Å; L73-L80 HydrophobicContact CD1-CD2 4.4Å; L73-L80 PolarHBondContact N-O 3.2Å; L73-L80 PolarHBondContact O-N 3.18Å; L73-M82 HydrophobicContact CD1-CG 3.64Å; L73-M82 HydrophobicContact CD1-SD 4.3Å; L73-M82 HydrophobicContact CG-CG 4Å
74Y92.3Very high94.5Very high8 Ų831.4 Ų31.43%0.03118%0.176CC..EExtended strand (participates in β ladder)trans-120117.1171.7-67.4-83.1000110.1P28 H29 F31 F32 P42 G47 N48 G76 T78 P79P28-Y74 VanDerWaalsContact O-CE1 3.28Å; P28-Y74 WeakPolarHBondContact O-CE1 3.36Å; P28-Y74 PolarHBondContact O-OH 3.41Å; H29-Y74 VanDerWaalsContact C-OH 3.26Å; H29-Y74 VanDerWaalsContact CA-CZ 3.5Å; H29-Y74 HydrophobicContact CB-CE2 4.45Å; H29-Y74 AromaticContact CD2-CD1 3.62Å; H29-Y74 AromaticContact CD2-CG 3.69Å; H29-Y74 PolarHBondContact O-OH 3.43Å; F31-Y74 HydrophobicContact CB-CE1 4.34Å; F31-Y74 WeakPolarHBondContact CB-OH 3.28Å; F31-Y74 PolarHBondContact N-OH 2.95Å; F31-Y74 VanDerWaalsContact N-OH 3.15Å; F32-Y74 HydrophobicContact CD2-CD2 4.3Å; F32-Y74 HydrophobicContact CD2-CE1 4.07Å; F32-Y74 AromaticContact CD2-CE2 3.52Å; F32-Y74 HydrophobicContact CD2-CE2 3.52Å; F32-Y74 AromaticContact CD2-CZ 3.37Å; F32-Y74 WeakPolarHBondContact CD2-OH 3.47Å; F32-Y74 HydrophobicContact CE2-CD1 4.49Å; F32-Y74 HydrophobicContact CE2-CD2 4.48Å; F32-Y74 HydrophobicContact CE2-CE1 4.05Å; F32-Y74 HydrophobicContact CE2-CE2 4.06Å; F32-Y74 AromaticContact CE2-CZ 3.82Å; F32-Y74 PolarHBondContact N-OH 3.32Å; P42-Y74 HydrophobicContact CB-CD2 3.77Å; P42-Y74 HydrophobicContact CB-CG 4.24Å; P42-Y74 HydrophobicContact CG-CD2 3.72Å; P42-Y74 HydrophobicContact CG-CE2 4Å; P42-Y74 HydrophobicContact CG-CG 4.5Å; G47-Y74 CarbonylContact C-O 3.6Å; G47-Y74 WeakPolarHBondContact CA-O 3.41Å; N48-Y74 PolarHBondContact N-O 2.9Å; N48-Y74 PolarHBondContact OD1-N 3.02Å; Y74-G76 PolarHBondContact O-N 3.19Å; Y74-T78 WeakPolarHBondContact CA-O 3.44Å; Y74-P79 HydrophobicContact CD1-CB 4.28Å; Y74-P79 HydrophobicContact CE1-CB 3.97Å
75E86.4Confident94.5Very high36 Ų3632.2 Ų32.217%0.16818%0.182CC..EExtended strand (participates in β ladder)trans-91.293.4167.3-69.9-174.3179.200108.4L49 F52 K77 T78 L80 R105 R374L49-E75 HydrophobicContact CD2-CB 4.4Å; L49-E75 HydrophobicContact CD2-CG 4.36Å; F52-E75 HydrophobicContact CE2-CG 4.41Å; E75-K77 PolarHBondContact O-N 3.21Å; E75-T78 PolarHBondContact N-O 3.45Å; E75-T78 PolarHBondContact O-N 3.34Å; E75-L80 HydrophobicContact CG-CD2 4.47Å; E75-R105 IonicContact OE1-NH2 3.78Å; E75-R105 IonicContact OE2-CZ 2.7Å; E75-R105 IonicContact OE2-NH1 2.72Å; E75-R105 PolarHBondContact OE2-NH1 3.38Å; E75-R105 IonicContact OE2-NH2 3.56Å; E75-R105 PolarHBondContact OE2-NH2 2.97Å; E75-R374 IonicContact OE1-NH1 3.15Å
76G85.7Confident94.5Very high0 Ų028.4 Ų28.40%015%0.149CC..THydrogen-bonded Turntrans62.2-102.9-165.600000111.6H29 F45 A46 Y74H29-G76 PolarHBondContact NE2-O 3.28Å; F45-G76 CarbonylContact O-C 3.36Å; F45-G76 WeakPolarHBondContact O-CA 3.5Å; A46-G76 PolarHBondContact O-N 3.14Å; Y74-G76 PolarHBondContact O-N 3.19Å
77K83.5Confident94.5Very high54 Ų5425.3 Ų25.324%0.23514%0.137CC..THydrogen-bonded Turntrans-104.1-11.8176.7-66.1-179-66.7129.50113.6Y24 P28 E75 P79 A221Y24-K77 HydrophobicContact CE1-CD 3.99Å; Y24-K77 HydrophobicContact CE2-CD 4.45Å; Y24-K77 WeakPolarHBondContact OH-CE 3.23Å; Y24-K77 PolarHBondContact OH-NZ 3.28Å; P28-K77 HydrophobicContact CB-CB 4.39Å; P28-K77 HydrophobicContact CG-CB 4.03Å; P28-K77 HydrophobicContact CG-CD 4.35Å; P28-K77 HydrophobicContact CG-CG 4.13Å; E75-K77 PolarHBondContact O-N 3.21Å; K77-P79 WeakPolarHBondContact O-CD 3.3Å; K77-A221 WeakPolarHBondContact CE-O 3.04Å
78T86.7Confident94.5Very high74 Ų7422.7 Ų22.745%0.45413%0.127SC..EExtended strand (participates in β ladder)trans-81.1118-175.8-57.10000109.4Y74 E75Y74-T78 WeakPolarHBondContact CA-O 3.44Å; E75-T78 PolarHBondContact N-O 3.45Å; E75-T78 PolarHBondContact O-N 3.34Å
79P92.8Very high94.6Very high30 Ų3021.1 Ų21.120%0.19511%0.111CC..EExtended strand (participates in β ladder)trans-70132171.629.2-32.4000110.1F31 F32 Y74 K77F31-P79 HydrophobicContact CD1-CB 3.6Å; F31-P79 HydrophobicContact CD1-CG 4.12Å; F31-P79 HydrophobicContact CE1-CB 4.03Å; F31-P79 HydrophobicContact CE1-CG 4.37Å; F31-P79 HydrophobicContact CG-CB 4.2Å; F31-P79 HydrophobicContact CG-CG 4.4Å; F32-P79 HydrophobicContact CE2-CB 3.64Å; F32-P79 HydrophobicContact CZ-CB 3.63Å; Y74-P79 HydrophobicContact CD1-CB 4.28Å; Y74-P79 HydrophobicContact CE1-CB 3.97Å; K77-P79 WeakPolarHBondContact O-CD 3.3Å
80L95.4Very high94.7Very high0 Ų022.2 Ų22.20%011%0.114CC..EExtended strand (participates in β ladder)trans-123.5110.4175.817363.9000108.8F32 L73 E75 M82 L395F32-L80 WeakPolarHBondContact CZ-O 3.36Å; L73-L80 HydrophobicContact CB-CB 4.27Å; L73-L80 HydrophobicContact CD1-CD2 4.4Å; L73-L80 PolarHBondContact N-O 3.2Å; L73-L80 PolarHBondContact O-N 3.18Å; E75-L80 HydrophobicContact CG-CD2 4.47Å; L80-M82 HydrophobicContact CD1-SD 4.16Å; L80-M82 HydrophobicContact CD2-SD 3.68Å; L80-M82 HydrophobicContact CG-CG 4.37Å; L80-M82 HydrophobicContact CG-SD 3.74Å; L80-L395 CarbonylContact C-O 3.59Å; L80-L395 WeakPolarHBondContact CA-O 3.43Å; L80-L395 HydrophobicContact CD1-CB 4.37Å; L80-L395 HydrophobicContact CD1-CD2 3.87Å; L80-L395 HydrophobicContact CD1-CG 3.8Å
81L97.9Very high94.7Very high0 Ų020.1 Ų20.10%010%0.104CC..EExtended strand (participates in β ladder)trans-84.7112.3174.9-18063.1000108.7F32 V37 I70 V83 L388 I390 T394 L395 V396 G397F32-L81 HydrophobicContact CD1-CD1 4.46Å; F32-L81 HydrophobicContact CE1-CB 3.97Å; F32-L81 HydrophobicContact CE1-CD1 3.99Å; F32-L81 HydrophobicContact CZ-CB 4.38Å; V37-L81 HydrophobicContact CG1-CD1 3.88Å; V37-L81 HydrophobicContact CG2-CD1 4.15Å; I70-L81 HydrophobicContact CG2-CD1 3.88Å; L81-V83 HydrophobicContact CD2-CG2 4.47Å; L81-V83 HydrophobicContact CG-CG2 4.14Å; L81-L388 HydrophobicContact CD2-CD2 4.11Å; L81-I390 HydrophobicContact CD2-CD1 4.15Å; L81-I390 HydrophobicContact CD2-CG1 3.92Å; L81-I390 HydrophobicContact CD2-CG2 4.21Å; L81-T394 HydrophobicContact CB-CG2 3.89Å; L81-T394 HydrophobicContact CD2-CG2 4.37Å; L81-L395 PolarHBondContact N-O 3.37Å; L81-V396 HydrophobicContact CB-CG2 4.43Å; L81-V396 HydrophobicContact CD2-CG2 4.29Å; L81-V396 CarbonylContact O-C 3.57Å; L81-V396 VanDerWaalsContact O-CA 3.24Å; L81-V396 WeakPolarHBondContact O-CA 3.47Å; L81-V396 WeakPolarHBondContact O-CG1 3.31Å; L81-G397 PolarHBondContact O-N 2.86Å
82M98.2Very high94.7Very high0 Ų020.1 Ų20.10%010%0.104CC..EExtended strand (participates in β ladder)trans-88.2134176-63.8-60-66.300110.3I70 W71 L73 L80 G397 P399I70-M82 WeakPolarHBondContact CA-O 3.24Å; W71-M82 HydrophobicContact CD2-CB 3.47Å; W71-M82 VanDerWaalsContact CD2-CB 3.47Å; W71-M82 HydrophobicContact CD2-CG 4.25Å; W71-M82 HydrophobicContact CE3-CB 3.87Å; W71-M82 HydrophobicContact CG-CB 4.02Å; W71-M82 HydrophobicContact CH2-CB 3.89Å; W71-M82 HydrophobicContact CZ2-CB 3.44Å; W71-M82 VanDerWaalsContact CZ2-CB 3.44Å; W71-M82 HydrophobicContact CZ2-CE 4.07Å; W71-M82 HydrophobicContact CZ2-CG 3.79Å; W71-M82 HydrophobicContact CZ3-CB 4.07Å; W71-M82 PolarHBondContact N-O 3.44Å; W71-M82 VanDerWaalsContact N-O 3.1Å; W71-M82 PolarHBondContact O-N 3.4Å; L73-M82 HydrophobicContact CD1-CG 3.64Å; L73-M82 HydrophobicContact CD1-SD 4.3Å; L73-M82 HydrophobicContact CG-CG 4Å; L80-M82 HydrophobicContact CD1-SD 4.16Å; L80-M82 HydrophobicContact CD2-SD 3.68Å; L80-M82 HydrophobicContact CG-CG 4.37Å; L80-M82 HydrophobicContact CG-SD 3.74Å; M82-G397 CarbonylContact C-O 3.51Å; M82-G397 WeakPolarHBondContact CA-O 3.43Å; M82-P399 HydrophobicContact CE-CB 3.82Å; M82-P399 HydrophobicContact CE-CG 4.21Å
83V98.1Very high94.7Very high0 Ų020 Ų200%010%0.103CC..EExtended strand (participates in β ladder)trans-133.4119.6-177.4-179.70000110.1D69 L81 I88 I89 V396 G397 P399D69-V83 CarbonylContact O-C 3.58Å; D69-V83 WeakPolarHBondContact O-CA 3.05Å; L81-V83 HydrophobicContact CD2-CG2 4.47Å; L81-V83 HydrophobicContact CG-CG2 4.14Å; V83-I88 HydrophobicContact CG1-CB 3.73Å; V83-I88 HydrophobicContact CG1-CG2 3.57Å; V83-I88 HydrophobicContact CG2-CG2 4.44Å; V83-I89 HydrophobicContact CG1-CG1 4.15Å; V83-V396 HydrophobicContact CB-CG1 4.3Å; V83-V396 HydrophobicContact CG2-CG1 3.69Å; V83-G397 PolarHBondContact N-O 2.72Å; V83-P399 WeakPolarHBondContact O-CD 3.36Å
84A97.8Very high94.8Very high0 Ų022.8 Ų22.80%012%0.12CC..  trans-114.32.8174.600000113.1D69 W71 P86 P399 L403D69-A84 HydrophobicContact CB-CB 4.09Å; D69-A84 PolarHBondContact O-N 2.84Å; W71-A84 HydrophobicContact CZ3-CB 4.27Å; A84-P86 WeakPolarHBondContact O-CD 3.33Å; A84-P399 HydrophobicContact CB-CG 4.03Å; A84-L403 HydrophobicContact CB-CD2 4.2Å; A84-L403 VanDerWaalsContact O-CD2 3.31Å; A84-L403 WeakPolarHBondContact O-CD2 3.27Å
85D97.3Very high95Very high47 Ų4728.4 Ų28.425%0.25115%0.145SC..  trans-78122.4174.8179-83.9000111.2D69 E87 I88 I89D69-D85 HydrophobicContact CB-CB 4.37Å; D85-E87 VanDerWaalsContact C-N 3.33Å; D85-E87 PolarHBondContact O-N 2.98Å; D85-E87 WeakPolarHBondContact OD1-CA 3.36Å; D85-E87 WeakPolarHBondContact OD1-CB 3.43Å; D85-E87 PolarHBondContact OD1-N 2.88Å; D85-I88 HydrophobicContact CB-CB 4.28Å; D85-I88 HydrophobicContact CB-CD1 4.07Å; D85-I88 HydrophobicContact CB-CG1 4.14Å; D85-I88 PolarHBondContact O-N 3.41Å; D85-I88 PolarHBondContact OD1-N 3.42Å; D85-I89 WeakPolarHBondContact O-CB 3.21Å; D85-I89 WeakPolarHBondContact O-CD1 3.45Å; D85-I89 WeakPolarHBondContact O-CG1 3.35Å; D85-I89 PolarHBondContact O-N 3.2Å
86P96.3Very high95.6Very high11 Ų1129.6 Ų29.67%0.07115%0.15CC..Hα-helixtrans-58.5-35-177.4-29.136.4000115.7A84 I89 K90 Y409A84-P86 WeakPolarHBondContact O-CD 3.33Å; P86-I89 PolarHBondContact O-N 3.26Å; P86-K90 VanDerWaalsContact O-CB 3.28Å; P86-K90 WeakPolarHBondContact O-CB 3.17Å; P86-K90 PolarHBondContact O-N 3.35Å; P86-Y409 WeakPolarHBondContact CD-OH 3.11Å; P86-Y409 HydrophobicContact CG-CE1 4.21Å; P86-Y409 HydrophobicContact CG-CE2 4.29Å; P86-Y409 WeakPolarHBondContact CG-OH 3.3Å
87E96.7Very high96.1Very high87 Ų8729.6 Ų29.641%0.40715%0.15SC..Hα-helixtrans-75.6-38.2-177.4-73.4-58128.300111.1D85 K90 A91 N386D85-E87 VanDerWaalsContact C-N 3.33Å; D85-E87 PolarHBondContact O-N 2.98Å; D85-E87 WeakPolarHBondContact OD1-CA 3.36Å; D85-E87 WeakPolarHBondContact OD1-CB 3.43Å; D85-E87 PolarHBondContact OD1-N 2.88Å; E87-K90 WeakPolarHBondContact O-CB 3.31Å; E87-K90 PolarHBondContact O-N 2.92Å; E87-A91 PolarHBondContact O-N 3.18Å; E87-N386 WeakPolarHBondContact CB-ND2 3.38Å
88I97.8Very high96.7Very high4 Ų433 Ų332%0.02116%0.162CC..Hα-helixtrans-66.9-41.8171.4-57.1178.2000110I70 V83 D85 K90 A91 I92 I385 N386 L388I70-I88 HydrophobicContact CD1-CD1 3.63Å; I70-I88 HydrophobicContact CG1-CD1 4.29Å; V83-I88 HydrophobicContact CG1-CB 3.73Å; V83-I88 HydrophobicContact CG1-CG2 3.57Å; V83-I88 HydrophobicContact CG2-CG2 4.44Å; D85-I88 HydrophobicContact CB-CB 4.28Å; D85-I88 HydrophobicContact CB-CD1 4.07Å; D85-I88 HydrophobicContact CB-CG1 4.14Å; D85-I88 PolarHBondContact O-N 3.41Å; D85-I88 PolarHBondContact OD1-N 3.42Å; I88-K90 VanDerWaalsContact C-N 3.33Å; I88-K90 PolarHBondContact O-N 2.88Å; I88-A91 WeakPolarHBondContact O-CB 3.29Å; I88-A91 PolarHBondContact O-N 3.43Å; I88-A91 VanDerWaalsContact O-N 3.16Å; I88-I92 HydrophobicContact CG2-CD1 3.78Å; I88-I92 HydrophobicContact CG2-CG1 4.34Å; I88-I92 WeakPolarHBondContact O-CG1 3.41Å; I88-I92 PolarHBondContact O-N 3.38Å; I88-I385 HydrophobicContact CB-CG2 4.36Å; I88-I385 HydrophobicContact CG1-CG2 4.22Å; I88-I385 HydrophobicContact CG2-CG2 4.05Å; I88-N386 HydrophobicContact CD1-CB 4.44Å; I88-N386 HydrophobicContact CG1-CB 4.07Å; I88-L388 HydrophobicContact CD1-CD2 4.21Å
89I98.4Very high97.1Very high0 Ų033.2 Ų33.20%016%0.164CC..Hα-helixtrans-57.9-46.1174.9-72.9163.4000110.9V83 D85 P86 A91 I92 L93 I398 L403 Y432 M435V83-I89 HydrophobicContact CG1-CG1 4.15Å; D85-I89 WeakPolarHBondContact O-CB 3.21Å; D85-I89 WeakPolarHBondContact O-CD1 3.45Å; D85-I89 WeakPolarHBondContact O-CG1 3.35Å; D85-I89 PolarHBondContact O-N 3.2Å; P86-I89 PolarHBondContact O-N 3.26Å; I89-A91 VanDerWaalsContact C-N 3.33Å; I89-A91 PolarHBondContact O-N 3.43Å; I89-I92 PolarHBondContact O-N 2.76Å; I89-L93 HydrophobicContact CG2-CD1 3.82Å; I89-L93 HydrophobicContact CG2-CG 4.29Å; I89-L93 WeakPolarHBondContact O-CB 3.45Å; I89-L93 PolarHBondContact O-N 2.9Å; I89-I398 HydrophobicContact CD1-CG2 3.82Å; I89-I398 HydrophobicContact CG1-CD1 4.32Å; I89-I398 HydrophobicContact CG1-CG1 4.25Å; I89-I398 HydrophobicContact CG1-CG2 3.98Å; I89-I398 HydrophobicContact CG2-CD1 4.29Å; I89-L403 HydrophobicContact CD1-CD1 3.53Å; I89-L403 HydrophobicContact CD1-CD2 4.39Å; I89-Y432 HydrophobicContact CG2-CD1 4.12Å; I89-M435 HydrophobicContact CD1-CE 4.28Å; I89-M435 HydrophobicContact CG2-CE 3.99Å
90K97.9Very high97.3Very high60 Ų6031.8 Ų31.826%0.26116%0.155SC..Hα-helixtrans-59.1-43.4175.3173.4175.1-167.6178.50112P86 E87 I88 V94 K95 Y432P86-K90 VanDerWaalsContact O-CB 3.28Å; P86-K90 WeakPolarHBondContact O-CB 3.17Å; P86-K90 PolarHBondContact O-N 3.35Å; E87-K90 WeakPolarHBondContact O-CB 3.31Å; E87-K90 PolarHBondContact O-N 2.92Å; I88-K90 VanDerWaalsContact C-N 3.33Å; I88-K90 PolarHBondContact O-N 2.88Å; K90-V94 WeakPolarHBondContact O-CB 3.48Å; K90-V94 PolarHBondContact O-N 3.43Å; K90-V94 VanDerWaalsContact O-N 3.09Å; K90-K95 HydrophobicContact CG-CG 4.5Å; K90-K95 PolarHBondContact O-N 3.42Å; K90-Y432 HydrophobicContact CB-CD1 3.86Å; K90-Y432 HydrophobicContact CB-CD2 4.16Å; K90-Y432 HydrophobicContact CB-CE1 3.57Å; K90-Y432 HydrophobicContact CB-CE2 3.89Å; K90-Y432 HydrophobicContact CB-CG 4.15Å; K90-Y432 HydrophobicContact CD-CD2 4.41Å; K90-Y432 HydrophobicContact CD-CE1 4.45Å; K90-Y432 HydrophobicContact CD-CE2 3.6Å; K90-Y432 WeakPolarHBondContact CE-OH 3.36Å; K90-Y432 HydrophobicContact CG-CE1 3.82Å; K90-Y432 HydrophobicContact CG-CE2 3.9Å; K90-Y432 VanDerWaalsContact CG-CZ 3.42Å; K90-Y432 WeakPolarHBondContact CG-OH 3.36Å
91A97.9Very high97.4Very high8 Ų831.8 Ų31.87%0.06616%0.155CC..Iπ-helixtrans-60.9-48.7176.100000111.1E87 I88 I89 K95 E96 I385E87-A91 PolarHBondContact O-N 3.18Å; I88-A91 WeakPolarHBondContact O-CB 3.29Å; I88-A91 PolarHBondContact O-N 3.43Å; I88-A91 VanDerWaalsContact O-N 3.16Å; I89-A91 VanDerWaalsContact C-N 3.33Å; I89-A91 PolarHBondContact O-N 3.43Å; A91-K95 PolarHBondContact O-N 3.5Å; A91-E96 WeakPolarHBondContact O-CB 3.49Å; A91-E96 PolarHBondContact O-N 3.09Å; A91-I385 HydrophobicContact CB-CD1 4.16Å; A91-I385 HydrophobicContact CB-CG2 3.55Å
92I98Very high97.3Very high0 Ų031.8 Ų31.80%016%0.155CC..Iπ-helixtrans-68.4-48.6-176.5-68.6174.1000112.7I88 I89 F101 R377 I385 I390 V396I88-I92 HydrophobicContact CG2-CD1 3.78Å; I88-I92 HydrophobicContact CG2-CG1 4.34Å; I88-I92 WeakPolarHBondContact O-CG1 3.41Å; I88-I92 PolarHBondContact O-N 3.38Å; I89-I92 PolarHBondContact O-N 2.76Å; I92-F101 HydrophobicContact CB-CD2 4.35Å; I92-F101 HydrophobicContact CB-CG 4.34Å; I92-F101 HydrophobicContact CG1-CD1 4.42Å; I92-F101 HydrophobicContact CG1-CD2 4.23Å; I92-F101 HydrophobicContact CG1-CE1 4.17Å; I92-F101 HydrophobicContact CG1-CE2 4.01Å; I92-F101 HydrophobicContact CG1-CG 4.44Å; I92-F101 HydrophobicContact CG1-CZ 3.97Å; I92-F101 HydrophobicContact CG2-CB 4.07Å; I92-F101 HydrophobicContact CG2-CD1 3.86Å; I92-F101 HydrophobicContact CG2-CD2 4.31Å; I92-F101 HydrophobicContact CG2-CE1 4.39Å; I92-F101 HydrophobicContact CG2-CG 3.81Å; I92-F101 WeakPolarHBondContact O-CB 3.39Å; I92-R377 HydrophobicContact CG2-CB 4.1Å; I92-R377 HydrophobicContact CG2-CG 4.03Å; I92-I385 HydrophobicContact CG1-CD1 4.09Å; I92-I390 HydrophobicContact CD1-CD1 4.23Å; I92-V396 HydrophobicContact CD1-CB 4.43Å; I92-V396 HydrophobicContact CD1-CG1 3.68Å
93L98.1Very high97.2Very high0 Ų032.3 Ų32.30%016%0.158CC..Iπ-helixtrans-81.1-23.9-172.7-65.8-173.9000113.3I89 L375 R377 I398 M435 L439 G440I89-L93 HydrophobicContact CG2-CD1 3.82Å; I89-L93 HydrophobicContact CG2-CG 4.29Å; I89-L93 WeakPolarHBondContact O-CB 3.45Å; I89-L93 PolarHBondContact O-N 2.9Å; L93-L375 HydrophobicContact CD1-CD1 4.11Å; L93-R377 HydrophobicContact CD2-CG 4.08Å; L93-I398 HydrophobicContact CD1-CD1 3.69Å; L93-I398 HydrophobicContact CD2-CD1 3.65Å; L93-I398 HydrophobicContact CG-CD1 3.61Å; L93-M435 HydrophobicContact CD1-SD 4.13Å; L93-L439 HydrophobicContact CB-CB 4.45Å; L93-L439 HydrophobicContact CD1-CB 4.02Å; L93-L439 HydrophobicContact CD1-CD1 4.48Å; L93-G440 WeakPolarHBondContact O-CA 3.46Å
94V97.7Very high97Very high60 Ų6036.2 Ų36.236%0.36417%0.172SC..Iπ-helixtrans-125.6-67-171.8-1740000112.3K90 E96 F97 Y432K90-V94 WeakPolarHBondContact O-CB 3.48Å; K90-V94 PolarHBondContact O-N 3.43Å; K90-V94 VanDerWaalsContact O-N 3.09Å; V94-E96 PolarHBondContact O-N 2.98Å; V94-F97 WeakPolarHBondContact O-CB 3.38Å; V94-Y432 HydrophobicContact CG2-CE1 4.15Å
95K97.4Very high96.5Very high125 Ų12539.6 Ų39.654%0.54319%0.185SC..Iπ-helixtrans-63.7-48.2-167.9-61-179.7175.2172.90112.2K90 A91K90-K95 HydrophobicContact CG-CG 4.5Å; K90-K95 PolarHBondContact O-N 3.42Å; A91-K95 PolarHBondContact O-N 3.5Å
96E97.4Very high95.2Very high62 Ų6241.7 Ų41.729%0.2920%0.195SC..THydrogen-bonded Turntrans-104.219.1-173.4-57.3-58.6155.300112.6A91 V94 T99 A100 F101 M383A91-E96 WeakPolarHBondContact O-CB 3.49Å; A91-E96 PolarHBondContact O-N 3.09Å; V94-E96 PolarHBondContact O-N 2.98Å; E96-T99 VanDerWaalsContact C-OG1 3.27Å; E96-T99 WeakPolarHBondContact CA-OG1 3.5Å; E96-T99 WeakPolarHBondContact CB-OG1 3.43Å; E96-T99 PolarHBondContact O-OG1 3.21Å; E96-T99 PolarHBondContact OE2-OG1 3.41Å; E96-A100 PolarHBondContact O-N 3.1Å; E96-F101 HydrophobicContact CB-CD2 3.94Å; E96-F101 HydrophobicContact CB-CE2 4.16Å; E96-F101 PolarHBondContact O-N 2.99Å; E96-F101 VanDerWaalsContact O-N 3.1Å; E96-M383 HydrophobicContact CB-CE 3.56Å; E96-M383 HydrophobicContact CG-CE 3.36Å; E96-M383 WeakPolarHBondContact OE2-CE 3.43Å
97F97.3Very high93.6Very high0 Ų045.6 Ų45.60%021%0.214CC..THydrogen-bonded Turntrans-63.4-48.7-175.1173.6-93.2000112V94 F101 T102 W126 P441 R442V94-F97 WeakPolarHBondContact O-CB 3.38Å; F97-F101 VanDerWaalsContact CD2-O 3.31Å; F97-F101 WeakPolarHBondContact CD2-O 3.43Å; F97-F101 WeakPolarHBondContact CE2-O 3.35Å; F97-F101 CarbonylContact O-C 3.49Å; F97-F101 PolarHBondContact O-N 2.65Å; F97-T102 HydrophobicContact CE1-CG2 4.07Å; F97-T102 HydrophobicContact CZ-CG2 3.93Å; F97-T102 VanDerWaalsContact O-CA 3.27Å; F97-T102 WeakPolarHBondContact O-CA 3.27Å; F97-T102 PolarHBondContact O-N 2.79Å; F97-T102 PolarHBondContact O-OG1 3.06Å; F97-W126 HydrophobicContact CE1-CE3 4.42Å; F97-W126 AromaticContact CE1-CH2 3.51Å; F97-W126 HydrophobicContact CE1-CH2 3.51Å; F97-W126 AromaticContact CE1-CZ3 3.45Å; F97-W126 HydrophobicContact CE1-CZ3 3.45Å; F97-W126 VanDerWaalsContact CE1-CZ3 3.45Å; F97-W126 HydrophobicContact CZ-CE3 4.29Å; F97-W126 AromaticContact CZ-CH2 3.5Å; F97-W126 HydrophobicContact CZ-CH2 3.5Å; F97-W126 VanDerWaalsContact CZ-CH2 3.5Å; F97-W126 HydrophobicContact CZ-CZ2 4.1Å; F97-W126 AromaticContact CZ-CZ3 3.62Å; F97-W126 HydrophobicContact CZ-CZ3 3.62Å; F97-P441 HydrophobicContact CD1-CB 3.71Å; F97-P441 HydrophobicContact CD1-CG 3.55Å; F97-P441 HydrophobicContact CE1-CB 3.62Å; F97-P441 HydrophobicContact CE1-CG 4.02Å; F97-P441 HydrophobicContact CG-CB 4.41Å; F97-P441 HydrophobicContact CG-CG 4.03Å; F97-P441 HydrophobicContact CZ-CB 4.24Å; F97-R442 HydrophobicContact CE2-CB 3.47Å; F97-R442 VanDerWaalsContact CE2-CB 3.47Å; F97-R442 HydrophobicContact CE2-CG 4.43Å; F97-R442 HydrophobicContact CZ-CB 3.53Å; F97-R442 HydrophobicContact CZ-CG 4.37Å
98Y95.9Very high91.5Very high124 Ų12443.6 Ų43.649%0.48621%0.206SC..THydrogen-bonded Turntrans-77.4-27.1-178.2-68.2-63.8000112.9T102 W126 K127 P441Y98-T102 PolarHBondContact O-OG1 3.43Å; Y98-W126 HydrophobicContact CE1-CZ3 4.09Å; Y98-K127 VanDerWaalsContact CD1-CE 3.4Å; Y98-K127 HydrophobicContact CE1-CD 4.46Å; Y98-K127 HydrophobicContact CE1-CG 4.41Å; Y98-P441 HydrophobicContact CE1-CB 4.47Å; Y98-P441 HydrophobicContact CE2-CB 4.48Å; Y98-P441 HydrophobicContact CE2-CG 3.9Å; Y98-P441 WeakPolarHBondContact OH-CB 3.45Å
99T95.3Very high89.2Confident79 Ų7945.5 Ų45.549%0.48523%0.227SC..THydrogen-bonded Turntrans-78.9-51.1-17851.60000111.3E96E96-T99 VanDerWaalsContact C-OG1 3.27Å; E96-T99 WeakPolarHBondContact CA-OG1 3.5Å; E96-T99 WeakPolarHBondContact CB-OG1 3.43Å; E96-T99 PolarHBondContact O-OG1 3.21Å; E96-T99 PolarHBondContact OE2-OG1 3.41Å
100A96.4Very high86.9Confident0 Ų051.6 Ų51.60%026%0.26CS..THydrogen-bonded Turntrans-129.5-26.9-169.300000115.2E96 C379 K380 M383E96-A100 PolarHBondContact O-N 3.1Å; A100-C379 CarbonylContact O-C 3.21Å; A100-C379 WeakPolarHBondContact O-CA 3.33Å; A100-K380 PolarHBondContact O-N 3.42Å; A100-M383 HydrophobicContact CB-CE 3.92Å; A100-M383 HydrophobicContact CB-CG 3.62Å; A100-M383 HydrophobicContact CB-SD 3.77Å
101F97.4Very high84.8Confident0 Ų052.3 Ų52.30%028%0.284CS..  trans-120.139.3-168.3-61.1-79.7000114I92 E96 F97 R377 C379 M383 I385 I390 V396I92-F101 HydrophobicContact CB-CD2 4.35Å; I92-F101 HydrophobicContact CB-CG 4.34Å; I92-F101 HydrophobicContact CG1-CD1 4.42Å; I92-F101 HydrophobicContact CG1-CD2 4.23Å; I92-F101 HydrophobicContact CG1-CE1 4.17Å; I92-F101 HydrophobicContact CG1-CE2 4.01Å; I92-F101 HydrophobicContact CG1-CG 4.44Å; I92-F101 HydrophobicContact CG1-CZ 3.97Å; I92-F101 HydrophobicContact CG2-CB 4.07Å; I92-F101 HydrophobicContact CG2-CD1 3.86Å; I92-F101 HydrophobicContact CG2-CD2 4.31Å; I92-F101 HydrophobicContact CG2-CE1 4.39Å; I92-F101 HydrophobicContact CG2-CG 3.81Å; I92-F101 WeakPolarHBondContact O-CB 3.39Å; E96-F101 HydrophobicContact CB-CD2 3.94Å; E96-F101 HydrophobicContact CB-CE2 4.16Å; E96-F101 PolarHBondContact O-N 2.99Å; E96-F101 VanDerWaalsContact O-N 3.1Å; F97-F101 VanDerWaalsContact CD2-O 3.31Å; F97-F101 WeakPolarHBondContact CD2-O 3.43Å; F97-F101 WeakPolarHBondContact CE2-O 3.35Å; F97-F101 CarbonylContact O-C 3.49Å; F97-F101 PolarHBondContact O-N 2.65Å; F101-R377 HydrophobicContact CB-CB 3.98Å; F101-R377 HydrophobicContact CB-CG 4.21Å; F101-R377 HydrophobicContact CD1-CB 4.07Å; F101-R377 HydrophobicContact CG-CB 4.48Å; F101-R377 WeakPolarHBondContact O-CD 3.48Å; F101-C379 HydrophobicContact CD1-CB 4.22Å; F101-C379 HydrophobicContact CE1-CB 3.61Å; F101-C379 HydrophobicContact CZ-CB 4.25Å; F101-M383 HydrophobicContact CE2-CE 4.27Å; F101-I385 HydrophobicContact CE2-CD1 3.72Å; F101-I385 HydrophobicContact CZ-CD1 3.95Å; F101-I390 HydrophobicContact CE1-CG2 4.45Å; F101-I390 HydrophobicContact CZ-CD1 4.06Å; F101-V396 HydrophobicContact CE1-CG2 4.04Å
102T96.9Very high83.1Confident1 Ų152.6 Ų52.61%0.00629%0.287CS..  trans-71.9-35.2-174.4-46.40000112F97 Y98 W126 K380 R442F97-T102 HydrophobicContact CE1-CG2 4.07Å; F97-T102 HydrophobicContact CZ-CG2 3.93Å; F97-T102 VanDerWaalsContact O-CA 3.27Å; F97-T102 WeakPolarHBondContact O-CA 3.27Å; F97-T102 PolarHBondContact O-N 2.79Å; F97-T102 PolarHBondContact O-OG1 3.06Å; Y98-T102 PolarHBondContact O-OG1 3.43Å; T102-W126 HydrophobicContact CG2-CE3 3.83Å; T102-W126 HydrophobicContact CG2-CZ3 4.18Å; T102-K380 WeakPolarHBondContact OG1-CE 3.38Å; T102-K380 PolarHBondContact OG1-NZ 3.47Å; T102-R442 WeakPolarHBondContact O-CD 3.37Å; T102-R442 PolarHBondContact O-NH1 3.2Å
103N95.8Very high81.5Confident11 Ų1153.8 Ų53.86%0.05930%0.295CS..BIsolated β-bridgetrans-101.5155.5-165.3-62.6-28.2000112.9K122 D123 R377 T378 R442N103-K122 HydrophobicContact CB-CG 4.39Å; N103-K122 VanDerWaalsContact OD1-CA 3.23Å; N103-K122 WeakPolarHBondContact OD1-CA 3.42Å; N103-K122 WeakPolarHBondContact OD1-CB 3.45Å; N103-D123 VanDerWaalsContact ND2-CG 3.33Å; N103-D123 PolarHBondContact ND2-OD1 2.93Å; N103-D123 PolarHBondContact ND2-OD2 3.32Å; N103-D123 PolarHBondContact OD1-N 3.26Å; N103-R377 CarbonylContact O-C 3.59Å; N103-R377 VanDerWaalsContact O-CA 3.23Å; N103-R377 WeakPolarHBondContact O-CA 3.47Å; N103-T378 PolarHBondContact O-N 3.35Å; N103-R442 PolarHBondContact OD1-NH1 2.97Å
104R92.9Very high80.3Confident82 Ų8254.6 Ų54.631%0.30930%0.299SS..  trans-96.4-180168.4-62.6-174.1-179.4173.6-0109.9T378 R442R104-T378 PolarHBondContact O-OG1 2.91Å; R104-R442 PolarHBondContact NH2-O 2.65Å
105R86.9Confident79.4Confident70 Ų7053.1 Ų53.126%0.26429%0.289SS..  trans-60.2153.5172.167.9166.248.1-162.8-5.4111.4E75 I107 E376 L395E75-R105 IonicContact OE1-NH2 3.78Å; E75-R105 IonicContact OE2-CZ 2.7Å; E75-R105 IonicContact OE2-NH1 2.72Å; E75-R105 PolarHBondContact OE2-NH1 3.38Å; E75-R105 IonicContact OE2-NH2 3.56Å; E75-R105 PolarHBondContact OE2-NH2 2.97Å; R105-I107 HydrophobicContact CG-CD1 4.02Å; R105-I107 HydrophobicContact CG-CG1 3.55Å; R105-I107 PolarHBondContact O-N 3.21Å; R105-E376 WeakPolarHBondContact CD-OE2 3.37Å; R105-E376 WeakPolarHBondContact CG-OE2 3.28Å; R105-E376 IonicContact CZ-OE1 2.87Å; R105-E376 IonicContact CZ-OE2 2.74Å; R105-E376 IonicContact NE-OE1 3.07Å; R105-E376 PolarHBondContact NE-OE1 2.95Å; R105-E376 IonicContact NE-OE2 3.25Å; R105-E376 PolarHBondContact NE-OE2 3.09Å; R105-E376 IonicContact NH2-OE1 2.71Å; R105-E376 PolarHBondContact NH2-OE1 3.11Å; R105-E376 IonicContact NH2-OE2 2.78Å; R105-L395 HydrophobicContact CB-CD1 3.83Å; R105-L395 HydrophobicContact CB-CD2 4.04Å
106I71.5Confident79Confident92 Ų9248 Ų4847%0.47227%0.268SS..  trans-89.8104.6172.2-56166.3000107.2I108I106-I108 WeakPolarHBondContact CG2-O 3.44Å
107I62Low78.6Confident92 Ų9245.1 Ų45.147%0.47225%0.254SS..  trans-89.8-45.7-179-57.5-174.8000110.6R105 F217R105-I107 HydrophobicContact CG-CD1 4.02Å; R105-I107 HydrophobicContact CG-CG1 3.55Å; R105-I107 PolarHBondContact O-N 3.21Å; I107-F217 HydrophobicContact CG2-CE1 3.76Å; I107-F217 HydrophobicContact CG2-CZ 3.45Å; I107-F217 VanDerWaalsContact CG2-CZ 3.45Å; I107-F217 VanDerWaalsContact O-CE1 3.23Å; I107-F217 WeakPolarHBondContact O-CE1 3.47Å
108I53.1Low78.4Confident46 Ų4645.5 Ų45.524%0.23626%0.257CS..SBendtrans-106.3130.2-176.2-55.2175.4000106.5I106 M114 D115 F237I106-I108 WeakPolarHBondContact CG2-O 3.44Å; I108-M114 HydrophobicContact CD1-CB 4.14Å; I108-D115 WeakPolarHBondContact CG2-OD1 3.31Å; I108-F237 HydrophobicContact CG2-CD2 4.39Å
109G49Very low78.1Confident44 Ų4442.9 Ų42.945%0.45425%0.254SS..  trans-77.8157-177.500000111.6G111G109-G111 PolarHBondContact O-N 3.18Å; G109-G111 VanDerWaalsContact O-N 3.16Å
110D50.4Low77.8Confident128 Ų12841.1 Ų41.168%0.68425%0.247SC*.THydrogen-bonded Turntrans-51113.8-175.4-44.2-39.4000112.9
111G52.6Low77.6Confident75 Ų7541.4 Ų41.477%0.77325%0.249SC*.THydrogen-bonded Turntrans124.810.1173.900000116.6G109 D115G109-G111 PolarHBondContact O-N 3.18Å; G109-G111 VanDerWaalsContact O-N 3.16Å; G111-D115 WeakPolarHBondContact CA-OD2 3.49Å; G111-D115 PolarHBondContact N-OD2 2.76Å
112G62.6Low77.3Confident13 Ų1345.3 Ų45.313%0.13427%0.266CS..  trans-89.7156.6177.500000113.8M114 D115G112-M114 PolarHBondContact O-N 2.91Å; G112-D115 VanDerWaalsContact N-CG 3.32Å; G112-D115 PolarHBondContact N-OD2 2.73Å; G112-D115 VanDerWaalsContact O-CB 3.3Å; G112-D115 WeakPolarHBondContact O-CB 3.3Å; G112-D115 VanDerWaalsContact O-CG 3.22Å; G112-D115 PolarHBondContact O-N 3.12Å; G112-D115 VanDerWaalsContact O-N 3.1Å
113P63.9Low77.1Confident26 Ų2647.3 Ų47.317%0.16928%0.277CS..G310 helixtrans-58.8-34.618020.2-30.9000112.7D115 V243 Y247 S299P113-D115 VanDerWaalsContact C-N 3.3Å; P113-D115 PolarHBondContact O-N 2.98Å; P113-V243 HydrophobicContact CB-CB 4.47Å; P113-V243 HydrophobicContact CB-CG1 3.34Å; P113-V243 HydrophobicContact CG-CB 3.9Å; P113-V243 HydrophobicContact CG-CG1 3.23Å; P113-V243 HydrophobicContact CG-CG2 4Å; P113-Y247 HydrophobicContact CB-CE1 3.86Å; P113-Y247 HydrophobicContact CB-CE2 4.38Å; P113-Y247 PolarHBondContact O-OH 2.94Å; P113-S299 PolarHBondContact O-OG 3.45Å; P113-S299 VanDerWaalsContact O-OG 3.07Å
114M73.5Confident77.1Confident16 Ų1650.4 Ų50.48%0.07929%0.291CS..G310 helixtrans-85.66.8-179.2-68.6-70-68.400114.5I108 G112 D116 A117 M238 L302 T303I108-M114 HydrophobicContact CD1-CB 4.14Å; G112-M114 PolarHBondContact O-N 2.91Å; M114-D116 PolarHBondContact O-N 2.73Å; M114-A117 HydrophobicContact CE-CB 3.98Å; M114-A117 WeakPolarHBondContact O-CB 3.44Å; M114-A117 PolarHBondContact O-N 2.71Å; M114-A117 VanDerWaalsContact O-N 3.16Å; M114-M238 HydrophobicContact CG-CE 4.18Å; M114-M238 HydrophobicContact CG-SD 4.11Å; M114-L302 HydrophobicContact CG-CD2 4.27Å; M114-L302 HydrophobicContact SD-CB 4Å; M114-L302 HydrophobicContact SD-CD2 3.62Å; M114-L302 HydrophobicContact SD-CG 3.71Å; M114-T303 HydrophobicContact CE-CG2 4.49Å; M114-T303 WeakPolarHBondContact CE-OG1 3.47Å
115D79.5Confident77.1Confident29 Ų2949.6 Ų49.616%0.15529%0.288CS..G310 helixtrans-68.2-28-176.6-730.8000112.8I108 G111 G112 P113 A117 V121I108-D115 WeakPolarHBondContact CG2-OD1 3.31Å; G111-D115 WeakPolarHBondContact CA-OD2 3.49Å; G111-D115 PolarHBondContact N-OD2 2.76Å; G112-D115 VanDerWaalsContact N-CG 3.32Å; G112-D115 PolarHBondContact N-OD2 2.73Å; G112-D115 VanDerWaalsContact O-CB 3.3Å; G112-D115 WeakPolarHBondContact O-CB 3.3Å; G112-D115 VanDerWaalsContact O-CG 3.22Å; G112-D115 PolarHBondContact O-N 3.12Å; G112-D115 VanDerWaalsContact O-N 3.1Å; P113-D115 VanDerWaalsContact C-N 3.3Å; P113-D115 PolarHBondContact O-N 2.98Å; D115-A117 VanDerWaalsContact C-N 3.31Å; D115-V121 VanDerWaalsContact O-CG1 3.31Å; D115-V121 WeakPolarHBondContact O-CG1 3.43Å
116D87.7Confident77.5Confident19 Ų1946.5 Ų46.510%0.10228%0.276CS..G310 helixtrans-87.7-3.6179.1-74.32.3000112.4M114 V121 R125 I129 H295 E296 S299 Q300M114-D116 PolarHBondContact O-N 2.73Å; D116-V121 WeakPolarHBondContact O-CG1 3.25Å; D116-R125 IonicContact OD1-CZ 3.94Å; D116-R125 IonicContact OD1-NH1 3.62Å; D116-R125 PolarHBondContact OD1-NH1 3.44Å; D116-R125 IonicContact OD1-NH2 2.52Å; D116-R125 PolarHBondContact OD1-NH2 2.94Å; D116-R125 IonicContact OD2-CZ 3.62Å; D116-R125 IonicContact OD2-NH2 2.78Å; D116-R125 PolarHBondContact OD2-NH2 3.29Å; D116-I129 WeakPolarHBondContact O-CD1 3.48Å; D116-H295 IonicContact OD2-CE1 3.38Å; D116-H295 IonicContact OD2-CG 2.68Å; D116-H295 IonicContact OD2-ND1 2.81Å; D116-H295 PolarHBondContact OD2-ND1 2.88Å; D116-E296 HydrophobicContact CB-CG 4Å; D116-S299 WeakPolarHBondContact CB-OG 3.31Å; D116-Q300 PolarHBondContact O-NE2 2.89Å
117A89.1Confident78.7Confident0 Ų045 Ų450%027%0.266CS..SBendtrans-59.8141.1175.300000111.5M114 D115 T119 A120 V121 T303M114-A117 HydrophobicContact CE-CB 3.98Å; M114-A117 WeakPolarHBondContact O-CB 3.44Å; M114-A117 PolarHBondContact O-N 2.71Å; M114-A117 VanDerWaalsContact O-N 3.16Å; D115-A117 VanDerWaalsContact C-N 3.31Å; A117-T119 PolarHBondContact O-N 3.37Å; A117-A120 HydrophobicContact CB-CB 4.47Å; A117-A120 PolarHBondContact O-N 3.47Å; A117-V121 WeakPolarHBondContact O-CG2 3.3Å; A117-V121 PolarHBondContact O-N 3.32Å; A117-T303 HydrophobicContact CB-CG2 4.47Å; A117-T303 WeakPolarHBondContact CB-OG1 3.28Å
118V93Very high80.3Confident9 Ų940.8 Ų40.86%0.05524%0.244CC..THydrogen-bonded Turntrans-54.6-24.5175.369.40000113.1W126 I129 R130 I133 Q300 R442V118-W126 VanDerWaalsContact O-CD1 3.26Å; V118-I129 HydrophobicContact CB-CG2 3.86Å; V118-I129 HydrophobicContact CG2-CG2 4.09Å; V118-R130 HydrophobicContact CG2-CB 4.18Å; V118-I133 HydrophobicContact CB-CD1 3.91Å; V118-I133 HydrophobicContact CG1-CD1 3.77Å; V118-I133 HydrophobicContact CG2-CD1 3.92Å; V118-Q300 VanDerWaalsContact CB-OE1 3.28Å; V118-R442 PolarHBondContact O-NH2 3.01Å
119T90.5Very high82.3Confident68 Ų6838.6 Ų38.642%0.41723%0.233SC..THydrogen-bonded Turntrans-73.8-25175.749.40000113.4A117 T303A117-T119 PolarHBondContact O-N 3.37Å; T119-T303 HydrophobicContact CG2-CG2 4.11Å
120A89.1Confident84.6Confident43 Ų4338.2 Ų38.236%0.35522%0.218SC..THydrogen-bonded Turntrans-106.9-40.7-173.600000113.8A117A117-A120 HydrophobicContact CB-CB 4.47Å; A117-A120 PolarHBondContact O-N 3.47Å
121V91.4Very high86.7Confident6 Ų633.9 Ų33.94%0.03620%0.2CC..  trans-59.6158.9-175.4-67.50000113.5D115 D116 A117 R125 W126 I129 R442D115-V121 VanDerWaalsContact O-CG1 3.31Å; D115-V121 WeakPolarHBondContact O-CG1 3.43Å; D116-V121 WeakPolarHBondContact O-CG1 3.25Å; A117-V121 WeakPolarHBondContact O-CG2 3.3Å; A117-V121 PolarHBondContact O-N 3.32Å; V121-R125 HydrophobicContact CB-CG 4.23Å; V121-R125 HydrophobicContact CG1-CG 4.25Å; V121-W126 HydrophobicContact CG2-CB 3.84Å; V121-I129 HydrophobicContact CG1-CD1 4.02Å; V121-I129 HydrophobicContact CG2-CD1 4.02Å; V121-R442 PolarHBondContact O-NH1 3.01Å; V121-R442 PolarHBondContact O-NH2 2.95Å
122K91.9Very high88.7Confident81 Ų8130.4 Ų30.435%0.35216%0.164SC..  trans-116.9156.3-171.5-62.7175.7-166.7154.20112.4N103 E124 R125 W126N103-K122 HydrophobicContact CB-CG 4.39Å; N103-K122 VanDerWaalsContact OD1-CA 3.23Å; N103-K122 WeakPolarHBondContact OD1-CA 3.42Å; N103-K122 WeakPolarHBondContact OD1-CB 3.45Å; K122-E124 PolarHBondContact O-N 2.7Å; K122-R125 WeakPolarHBondContact O-CB 3.44Å; K122-R125 PolarHBondContact O-N 2.87Å; K122-W126 PolarHBondContact O-N 2.9Å
123D93.7Very high90.2Very high44 Ų4429.8 Ų29.824%0.23516%0.157CC..Hα-helixtrans50.4-127.9162.5-58.1-58000114.7N103 R125 W126 K127 K380N103-D123 VanDerWaalsContact ND2-CG 3.33Å; N103-D123 PolarHBondContact ND2-OD1 2.93Å; N103-D123 PolarHBondContact ND2-OD2 3.32Å; N103-D123 PolarHBondContact OD1-N 3.26Å; D123-R125 VanDerWaalsContact C-N 3.29Å; D123-R125 PolarHBondContact O-N 3.25Å; D123-W126 WeakPolarHBondContact O-CB 3.46Å; D123-W126 PolarHBondContact O-N 2.75Å; D123-K127 PolarHBondContact O-N 3.09Å; D123-K380 WeakPolarHBondContact OD1-CD 3.45Å; D123-K380 WeakPolarHBondContact OD1-CE 3.41Å; D123-K380 IonicContact OD1-NZ 2.92Å; D123-K380 PolarHBondContact OD1-NZ 3.17Å
124E94.6Very high91.6Very high75 Ų7530.7 Ų30.735%0.3516%0.164SC..Hα-helixtrans-63.5-34.9-176.8-61.2-49.2123.900112.2K122 W126 K127 R128 Q287K122-E124 PolarHBondContact O-N 2.7Å; E124-W126 PolarHBondContact O-N 3.49Å; E124-K127 WeakPolarHBondContact O-CB 3.26Å; E124-K127 PolarHBondContact O-N 3.05Å; E124-K127 WeakPolarHBondContact OE1-CE 3.32Å; E124-K127 IonicContact OE1-NZ 3.81Å; E124-K127 PolarHBondContact OE1-NZ 3.35Å; E124-K127 WeakPolarHBondContact OE2-CD 3.33Å; E124-K127 IonicContact OE2-NZ 2.59Å; E124-K127 PolarHBondContact OE2-NZ 3.26Å; E124-R128 PolarHBondContact O-N 3.44Å; E124-Q287 HydrophobicContact CB-CB 4.32Å; E124-Q287 HydrophobicContact CB-CG 3.95Å
125R93.8Very high92.5Very high65 Ų6532.3 Ų32.325%0.24518%0.176CC..Hα-helixtrans-62.5-44.1174.3-168.3178-171.4-165.93.8111.3D116 V121 K122 D123 K127 R128 I129 E296D116-R125 IonicContact OD1-CZ 3.94Å; D116-R125 IonicContact OD1-NH1 3.62Å; D116-R125 PolarHBondContact OD1-NH1 3.44Å; D116-R125 IonicContact OD1-NH2 2.52Å; D116-R125 PolarHBondContact OD1-NH2 2.94Å; D116-R125 IonicContact OD2-CZ 3.62Å; D116-R125 IonicContact OD2-NH2 2.78Å; D116-R125 PolarHBondContact OD2-NH2 3.29Å; V121-R125 HydrophobicContact CB-CG 4.23Å; V121-R125 HydrophobicContact CG1-CG 4.25Å; K122-R125 WeakPolarHBondContact O-CB 3.44Å; K122-R125 PolarHBondContact O-N 2.87Å; D123-R125 VanDerWaalsContact C-N 3.29Å; D123-R125 PolarHBondContact O-N 3.25Å; R125-K127 PolarHBondContact O-N 2.9Å; R125-R128 PolarHBondContact O-N 2.88Å; R125-I129 HydrophobicContact CG-CD1 4.17Å; R125-I129 WeakPolarHBondContact O-CG1 3.41Å; R125-I129 PolarHBondContact O-N 3.48Å; R125-E296 IonicContact CZ-OE1 2.66Å; R125-E296 VanDerWaalsContact CZ-OE1 3.25Å; R125-E296 IonicContact NE-OE1 3.94Å; R125-E296 PolarHBondContact NE-OE1 3.18Å; R125-E296 IonicContact NH2-OE1 3.49Å; R125-E296 PolarHBondContact NH2-OE1 2.9Å
126W95.4Very high93Very high5 Ų531 Ų312%0.01917%0.169CC..Hα-helixtrans-60.4-44.4172.8170.375.4000112.1F97 Y98 T102 V118 V121 K122 D123 E124 I129 R130 P441 R442F97-W126 HydrophobicContact CE1-CE3 4.42Å; F97-W126 AromaticContact CE1-CH2 3.51Å; F97-W126 HydrophobicContact CE1-CH2 3.51Å; F97-W126 AromaticContact CE1-CZ3 3.45Å; F97-W126 HydrophobicContact CE1-CZ3 3.45Å; F97-W126 VanDerWaalsContact CE1-CZ3 3.45Å; F97-W126 HydrophobicContact CZ-CE3 4.29Å; F97-W126 AromaticContact CZ-CH2 3.5Å; F97-W126 HydrophobicContact CZ-CH2 3.5Å; F97-W126 VanDerWaalsContact CZ-CH2 3.5Å; F97-W126 HydrophobicContact CZ-CZ2 4.1Å; F97-W126 AromaticContact CZ-CZ3 3.62Å; F97-W126 HydrophobicContact CZ-CZ3 3.62Å; Y98-W126 HydrophobicContact CE1-CZ3 4.09Å; T102-W126 HydrophobicContact CG2-CE3 3.83Å; T102-W126 HydrophobicContact CG2-CZ3 4.18Å; V118-W126 VanDerWaalsContact O-CD1 3.26Å; V121-W126 HydrophobicContact CG2-CB 3.84Å; K122-W126 PolarHBondContact O-N 2.9Å; D123-W126 WeakPolarHBondContact O-CB 3.46Å; D123-W126 PolarHBondContact O-N 2.75Å; E124-W126 PolarHBondContact O-N 3.49Å; W126-I129 PolarHBondContact O-N 3.49Å; W126-R130 HydrophobicContact CZ2-CB 4.18Å; W126-R130 HydrophobicContact CZ2-CG 3.93Å; W126-R130 WeakPolarHBondContact O-CB 3.23Å; W126-R130 PolarHBondContact O-N 3.15Å; W126-P441 HydrophobicContact CH2-CB 3.95Å; W126-P441 WeakPolarHBondContact CZ2-O 3.27Å; W126-R442 VanDerWaalsContact CD1-NH2 3.34Å; W126-R442 HydrophobicContact CH2-CB 4.17Å; W126-R442 HydrophobicContact CZ2-CB 3.59Å; W126-R442 HydrophobicContact CZ2-CG 3.64Å
127K95.8Very high93.2Very high60 Ų6030.9 Ų30.926%0.26117%0.168SC..Hα-helixtrans-59.7-47.8178.5-71.3174.6-178.3169.40111.2Y98 D123 E124 R125 R130 A131Y98-K127 VanDerWaalsContact CD1-CE 3.4Å; Y98-K127 HydrophobicContact CE1-CD 4.46Å; Y98-K127 HydrophobicContact CE1-CG 4.41Å; D123-K127 PolarHBondContact O-N 3.09Å; E124-K127 WeakPolarHBondContact O-CB 3.26Å; E124-K127 PolarHBondContact O-N 3.05Å; E124-K127 WeakPolarHBondContact OE1-CE 3.32Å; E124-K127 IonicContact OE1-NZ 3.81Å; E124-K127 PolarHBondContact OE1-NZ 3.35Å; E124-K127 WeakPolarHBondContact OE2-CD 3.33Å; E124-K127 IonicContact OE2-NZ 2.59Å; E124-K127 PolarHBondContact OE2-NZ 3.26Å; R125-K127 PolarHBondContact O-N 2.9Å; K127-R130 PolarHBondContact O-N 3.42Å; K127-A131 WeakPolarHBondContact O-CB 3.4Å; K127-A131 PolarHBondContact O-N 2.93Å
128R95.8Very high93.3Very high4 Ų434 Ų342%0.01519%0.187CC..Hα-helixtrans-58.6-54.7177.4-179.3-172.770.3-170-3.9111.6E124 R125 R130 A131 T132 I281 Q287 P288 G291 E296E124-R128 PolarHBondContact O-N 3.44Å; R125-R128 PolarHBondContact O-N 2.88Å; R128-R130 VanDerWaalsContact C-N 3.34Å; R128-R130 PolarHBondContact O-N 2.87Å; R128-A131 PolarHBondContact O-N 3.34Å; R128-T132 WeakPolarHBondContact O-CB 3.34Å; R128-T132 PolarHBondContact O-N 3.17Å; R128-T132 PolarHBondContact O-OG1 3.28Å; R128-I281 VanDerWaalsContact NH1-CD1 3.26Å; R128-I281 VanDerWaalsContact NH1-CG1 3.34Å; R128-Q287 VanDerWaalsContact NH2-OE1 3.17Å; R128-P288 VanDerWaalsContact CD-O 3.26Å; R128-P288 WeakPolarHBondContact CD-O 3.43Å; R128-P288 VanDerWaalsContact CG-O 3.24Å; R128-P288 WeakPolarHBondContact CG-O 3.36Å; R128-G291 WeakPolarHBondContact CD-O 3.24Å; R128-G291 PolarHBondContact NE-O 3.45Å; R128-E296 IonicContact CZ-OE1 3.93Å; R128-E296 IonicContact CZ-OE2 3.63Å; R128-E296 IonicContact NH2-OE1 2.69Å; R128-E296 PolarHBondContact NH2-OE1 3.37Å; R128-E296 IonicContact NH2-OE2 2.82Å; R128-E296 PolarHBondContact NH2-OE2 3.4Å
129I95.7Very high93.2Very high0 Ų036.5 Ų36.50%020%0.204CC..Hα-helixtrans-60.9-47.2-177.9-66.3-177.1000109.5D116 V118 V121 R125 W126 A131 T132 I133 L292 E296 Q300D116-I129 WeakPolarHBondContact O-CD1 3.48Å; V118-I129 HydrophobicContact CB-CG2 3.86Å; V118-I129 HydrophobicContact CG2-CG2 4.09Å; V121-I129 HydrophobicContact CG1-CD1 4.02Å; V121-I129 HydrophobicContact CG2-CD1 4.02Å; R125-I129 HydrophobicContact CG-CD1 4.17Å; R125-I129 WeakPolarHBondContact O-CG1 3.41Å; R125-I129 PolarHBondContact O-N 3.48Å; W126-I129 PolarHBondContact O-N 3.49Å; I129-A131 PolarHBondContact O-N 2.64Å; I129-T132 PolarHBondContact O-N 3.22Å; I129-T132 VanDerWaalsContact O-N 3.1Å; I129-I133 WeakPolarHBondContact O-CG1 3.32Å; I129-I133 PolarHBondContact O-N 3.43Å; I129-L292 HydrophobicContact CB-CD2 4.13Å; I129-L292 HydrophobicContact CG1-CD2 3.78Å; I129-L292 HydrophobicContact CG2-CD2 3.93Å; I129-E296 HydrophobicContact CD1-CG 4.1Å; I129-Q300 HydrophobicContact CG2-CG 4.14Å
130R96.5Very high93.2Very high36 Ų3635.4 Ų35.414%0.13621%0.207CC..Hα-helixtrans-60-43.3178.5-178.259.2-177.5-125.7-4.7112V118 W126 K127 R128 T132 S134 N443 V445V118-R130 HydrophobicContact CG2-CB 4.18Å; W126-R130 HydrophobicContact CZ2-CB 4.18Å; W126-R130 HydrophobicContact CZ2-CG 3.93Å; W126-R130 WeakPolarHBondContact O-CB 3.23Å; W126-R130 PolarHBondContact O-N 3.15Å; K127-R130 PolarHBondContact O-N 3.42Å; R128-R130 VanDerWaalsContact C-N 3.34Å; R128-R130 PolarHBondContact O-N 2.87Å; R130-T132 VanDerWaalsContact C-N 3.25Å; R130-T132 PolarHBondContact O-N 3.46Å; R130-S134 PolarHBondContact NE-OG 3.4Å; R130-S134 WeakPolarHBondContact O-CB 3.41Å; R130-S134 PolarHBondContact O-N 2.94Å; R130-S134 PolarHBondContact O-OG 2.84Å; R130-N443 PolarHBondContact NH1-O 3.33Å; R130-N443 PolarHBondContact NH2-O 2.74Å; R130-N443 PolarHBondContact NH2-OD1 3.41Å; R130-V445 VanDerWaalsContact NH1-CB 3.33Å
131A95.1Very high93.1Very high37 Ų3737.1 Ų37.131%0.30620%0.204SC..Hα-helixtrans-65-30.9177.400000112.5K127 R128 I129 P135 K290K127-A131 WeakPolarHBondContact O-CB 3.4Å; K127-A131 PolarHBondContact O-N 2.93Å; R128-A131 PolarHBondContact O-N 3.34Å; I129-A131 PolarHBondContact O-N 2.64Å; A131-P135 WeakPolarHBondContact O-CD 3.47Å; A131-K290 HydrophobicContact CB-CG 4.37Å
132T94.8Very high93.1Very high3 Ų337 Ų372%0.01820%0.203CC..Hα-helixtrans-77.6-39-179.6-52.80000112.4R128 I129 R130 P135 K290 G291 L292R128-T132 WeakPolarHBondContact O-CB 3.34Å; R128-T132 PolarHBondContact O-N 3.17Å; R128-T132 PolarHBondContact O-OG1 3.28Å; I129-T132 PolarHBondContact O-N 3.22Å; I129-T132 VanDerWaalsContact O-N 3.1Å; R130-T132 VanDerWaalsContact C-N 3.25Å; R130-T132 PolarHBondContact O-N 3.46Å; T132-P135 WeakPolarHBondContact O-CD 3.32Å; T132-K290 WeakPolarHBondContact OG1-CA 3.49Å; T132-G291 PolarHBondContact OG1-N 3.2Å; T132-L292 HydrophobicContact CG2-CD1 4.05Å; T132-L292 HydrophobicContact CG2-CD2 4.44Å; T132-L292 HydrophobicContact CG2-CG 3.8Å
133I94.1Very high93.1Very high0 Ų038.3 Ų38.30%021%0.209CC..Hα-helixtrans-89.9-20.7-177.868.4175.6000115V118 I129 P135 C136 L292 Q300 F304 V445V118-I133 HydrophobicContact CB-CD1 3.91Å; V118-I133 HydrophobicContact CG1-CD1 3.77Å; V118-I133 HydrophobicContact CG2-CD1 3.92Å; I129-I133 WeakPolarHBondContact O-CG1 3.32Å; I129-I133 PolarHBondContact O-N 3.43Å; I133-P135 VanDerWaalsContact C-N 3.29Å; I133-C136 VanDerWaalsContact O-CB 3.23Å; I133-C136 WeakPolarHBondContact O-CB 3.29Å; I133-C136 PolarHBondContact O-N 2.81Å; I133-C136 PolarHBondContact O-SG 3.25Å; I133-C136 VanDerWaalsContact O-SG 3.4Å; I133-L292 HydrophobicContact CG2-CD1 4.22Å; I133-Q300 HydrophobicContact CG2-CG 4.07Å; I133-F304 HydrophobicContact CB-CZ 4.07Å; I133-F304 HydrophobicContact CD1-CE1 4.07Å; I133-F304 HydrophobicContact CD1-CZ 4.06Å; I133-F304 HydrophobicContact CG2-CZ 4.28Å; I133-V445 HydrophobicContact CD1-CG1 4.45Å; I133-V445 HydrophobicContact CD1-CG2 4.34Å; I133-V445 HydrophobicContact CG1-CG2 4.31Å
134S93.7Very high92.8Very high44 Ų4441.3 Ų41.331%0.30822%0.221SC..G310 helixtrans-56.2-35.3-179.3-650000114R130 C136 F137R130-S134 PolarHBondContact NE-OG 3.4Å; R130-S134 WeakPolarHBondContact O-CB 3.41Å; R130-S134 PolarHBondContact O-N 2.94Å; R130-S134 PolarHBondContact O-OG 2.84Å; S134-C136 PolarHBondContact O-N 2.9Å; S134-F137 PolarHBondContact O-N 3.38Å; S134-F137 VanDerWaalsContact O-N 3.1Å
135P91.4Very high92.6Very high51 Ų5138 Ų3833%0.33121%0.206SC..G310 helixtrans-55-28.3173.7-2937.5000115.4A131 T132 I133 F137 T138 R141 V270A131-P135 WeakPolarHBondContact O-CD 3.47Å; T132-P135 WeakPolarHBondContact O-CD 3.32Å; I133-P135 VanDerWaalsContact C-N 3.29Å; P135-F137 PolarHBondContact O-N 2.83Å; P135-T138 WeakPolarHBondContact O-CG2 3.39Å; P135-T138 PolarHBondContact O-N 3.07Å; P135-T138 PolarHBondContact O-OG1 3.22Å; P135-R141 WeakPolarHBondContact O-CG 3.48Å; P135-V270 HydrophobicContact CB-CG1 4.47Å
136C89.5Confident92.5Very high0 Ų035.6 Ų35.60%020%0.198CC..G310 helixtrans-57.9-29.8176.4-60.80000112.4I133 S134 R141 F267 V270I133-C136 VanDerWaalsContact O-CB 3.23Å; I133-C136 WeakPolarHBondContact O-CB 3.29Å; I133-C136 PolarHBondContact O-N 2.81Å; I133-C136 PolarHBondContact O-SG 3.25Å; I133-C136 VanDerWaalsContact O-SG 3.4Å; S134-C136 PolarHBondContact O-N 2.9Å; C136-R141 VanDerWaalsContact O-CB 3.25Å; C136-R141 WeakPolarHBondContact O-CB 3.49Å; C136-F267 HydrophobicContact CB-CB 4.29Å; C136-F267 HydrophobicContact CB-CD1 3.58Å; C136-F267 HydrophobicContact CB-CE1 4.01Å; C136-F267 HydrophobicContact CB-CG 3.93Å; C136-F267 WeakPolarHBondContact O-CE1 3.36Å; C136-V270 VanDerWaalsContact SG-CG1 3.59Å
137F92.6Very high92.4Very high18 Ų1839.2 Ų39.28%0.07922%0.222CC..G310 helixtrans-10922.9-170.9-56.3-79.1000113.4S134 P135 F267 F304 V445 Y449S134-F137 PolarHBondContact O-N 3.38Å; S134-F137 VanDerWaalsContact O-N 3.1Å; P135-F137 PolarHBondContact O-N 2.83Å; F137-F267 HydrophobicContact CD1-CE2 4.29Å; F137-F267 HydrophobicContact CD1-CZ 4.04Å; F137-F267 HydrophobicContact CE1-CD2 4.27Å; F137-F267 AromaticContact CE1-CE2 3.52Å; F137-F267 HydrophobicContact CE1-CE2 3.52Å; F137-F267 AromaticContact CE1-CZ 3.74Å; F137-F267 HydrophobicContact CE1-CZ 3.74Å; F137-F267 HydrophobicContact CZ-CD2 4.23Å; F137-F267 AromaticContact CZ-CE2 3.94Å; F137-F267 HydrophobicContact CZ-CE2 3.94Å; F137-F267 HydrophobicContact CZ-CZ 4.42Å; F137-F304 HydrophobicContact CE2-CE1 4.09Å; F137-F304 HydrophobicContact CE2-CE2 4.17Å; F137-F304 AromaticContact CE2-CZ 3.69Å; F137-F304 HydrophobicContact CE2-CZ 3.69Å; F137-F304 HydrophobicContact CZ-CD1 4.43Å; F137-F304 HydrophobicContact CZ-CD2 4.4Å; F137-F304 HydrophobicContact CZ-CE1 4.06Å; F137-F304 HydrophobicContact CZ-CE2 4.02Å; F137-F304 AromaticContact CZ-CZ 3.84Å; F137-F304 HydrophobicContact CZ-CZ 3.84Å; F137-V445 HydrophobicContact CD2-CB 4.44Å; F137-V445 HydrophobicContact CD2-CG1 4.31Å; F137-V445 HydrophobicContact CD2-CG2 3.61Å; F137-V445 HydrophobicContact CE2-CB 4.44Å; F137-V445 HydrophobicContact CE2-CG1 3.85Å; F137-V445 HydrophobicContact CE2-CG2 3.89Å; F137-V445 WeakPolarHBondContact CG-O 3.47Å; F137-V445 HydrophobicContact CZ-CG1 4.31Å; F137-Y449 HydrophobicContact CD1-CG 4.46Å; F137-Y449 HydrophobicContact CE1-CG 4.4Å
138T92Very high92.2Very high65 Ų6537.9 Ų37.940%0.39922%0.217SC..SBendtrans-74.9156.6175.856.30000111.9P135 G140 R141 L142P135-T138 WeakPolarHBondContact O-CG2 3.39Å; P135-T138 PolarHBondContact O-N 3.07Å; P135-T138 PolarHBondContact O-OG1 3.22Å; T138-G140 PolarHBondContact O-N 2.87Å; T138-R141 PolarHBondContact O-N 3.48Å; T138-R141 VanDerWaalsContact OG1-CG 3.31Å; T138-R141 WeakPolarHBondContact OG1-CG 3.36Å; T138-L142 WeakPolarHBondContact O-CG 3.48Å; T138-L142 PolarHBondContact O-N 3.08Å
139S90.5Very high92.1Very high61 Ų6137.7 Ų37.743%0.42722%0.216SC..Hα-helixtrans-52.9-42.1180-46.10000112.6R141 L142 K143 R448S139-R141 PolarHBondContact O-N 3.02Å; S139-L142 PolarHBondContact O-N 3.24Å; S139-K143 PolarHBondContact O-N 3.31Å; S139-R448 VanDerWaalsContact OG-CZ 3.26Å; S139-R448 PolarHBondContact OG-NH1 3.35Å; S139-R448 PolarHBondContact OG-NH2 2.71Å
140G89.6Confident92.1Very high45 Ų4539 Ų3946%0.46422%0.224SC..Hα-helixtrans-64-39.6179.100000112.6T138 K143 Q144T138-G140 PolarHBondContact O-N 2.87Å; G140-K143 PolarHBondContact O-N 3.45Å; G140-Q144 WeakPolarHBondContact O-CG 3.49Å; G140-Q144 PolarHBondContact O-N 2.87Å
141R87.3Confident92Very high80 Ų8041 Ų4130%0.30224%0.235SC..Hα-helixtrans-69.9-40.7176.3-67.2-67.7149.3-176.5-0.4112P135 C136 T138 S139 K143 Q144 V145P135-R141 WeakPolarHBondContact O-CG 3.48Å; C136-R141 VanDerWaalsContact O-CB 3.25Å; C136-R141 WeakPolarHBondContact O-CB 3.49Å; T138-R141 PolarHBondContact O-N 3.48Å; T138-R141 VanDerWaalsContact OG1-CG 3.31Å; T138-R141 WeakPolarHBondContact OG1-CG 3.36Å; S139-R141 PolarHBondContact O-N 3.02Å; R141-K143 VanDerWaalsContact C-N 3.28Å; R141-K143 PolarHBondContact O-N 3.31Å; R141-Q144 VanDerWaalsContact CZ-OE1 3.27Å; R141-Q144 WeakPolarHBondContact O-CB 3.21Å; R141-Q144 PolarHBondContact O-N 2.94Å; R141-V145 WeakPolarHBondContact O-CG2 3.33Å; R141-V145 PolarHBondContact O-N 3.47Å
142L91.2Very high92Very high2 Ų239.2 Ų39.21%0.0122%0.221CC..Hα-helixtrans-60.4-39.3175.4-62.3-177.5000112.1T138 S139 Q144 V145 F146 Y349 R448 Y449 L452T138-L142 WeakPolarHBondContact O-CG 3.48Å; T138-L142 PolarHBondContact O-N 3.08Å; S139-L142 PolarHBondContact O-N 3.24Å; L142-Q144 VanDerWaalsContact C-N 3.3Å; L142-Q144 PolarHBondContact O-N 2.92Å; L142-V145 PolarHBondContact O-N 3.42Å; L142-F146 WeakPolarHBondContact O-CB 3.04Å; L142-F146 PolarHBondContact O-N 2.97Å; L142-Y349 HydrophobicContact CB-CE2 4.35Å; L142-R448 HydrophobicContact CD1-CB 3.5Å; L142-Y449 HydrophobicContact CD2-CD2 4.02Å; L142-Y449 HydrophobicContact CD2-CG 4.38Å; L142-L452 HydrophobicContact CB-CD2 4.23Å
143K91.4Very high92Very high109 Ų10939.1 Ų39.147%0.47422%0.22SC..Hα-helixtrans-65.2-32.5174.6-171.4165.3-180162.80112.8S139 G140 R141 Y349 E350S139-K143 PolarHBondContact O-N 3.31Å; G140-K143 PolarHBondContact O-N 3.45Å; R141-K143 VanDerWaalsContact C-N 3.28Å; R141-K143 PolarHBondContact O-N 3.31Å; K143-Y349 HydrophobicContact CB-CD2 4.49Å; K143-Y349 HydrophobicContact CD-CD1 4.49Å; K143-Y349 HydrophobicContact CG-CG 4.38Å; K143-E350 IonicContact NZ-OE1 2.76Å; K143-E350 PolarHBondContact NZ-OE1 3.5Å; K143-E350 IonicContact NZ-OE2 2.77Å
144Q87.8Confident92.1Very high108 Ų10843.1 Ų43.151%0.50524%0.241SC..Hα-helixtrans-72.7-35.1174.5-70.9172.7-8.700113G140 R141 L142 P147G140-Q144 WeakPolarHBondContact O-CG 3.49Å; G140-Q144 PolarHBondContact O-N 2.87Å; R141-Q144 VanDerWaalsContact CZ-OE1 3.27Å; R141-Q144 WeakPolarHBondContact O-CB 3.21Å; R141-Q144 PolarHBondContact O-N 2.94Å; L142-Q144 VanDerWaalsContact C-N 3.3Å; L142-Q144 PolarHBondContact O-N 2.92Å; Q144-P147 WeakPolarHBondContact O-CD 3.33Å
145V89.8Confident92.2Very high6 Ų642.9 Ų42.94%0.03623%0.234CC..Hα-helixtrans-79.6-22.2178.2174.90000111.9R141 L142 P147 L148 V149 A186 F267 Y449R141-V145 WeakPolarHBondContact O-CG2 3.33Å; R141-V145 PolarHBondContact O-N 3.47Å; L142-V145 PolarHBondContact O-N 3.42Å; V145-P147 VanDerWaalsContact C-CD 3.48Å; V145-L148 VanDerWaalsContact O-CB 3.32Å; V145-L148 WeakPolarHBondContact O-CB 3.21Å; V145-L148 PolarHBondContact O-N 3.29Å; V145-V149 HydrophobicContact CG1-CG2 4.23Å; V145-V149 PolarHBondContact O-N 3.29Å; V145-A186 HydrophobicContact CG1-CB 3.55Å; V145-F267 HydrophobicContact CG2-CE1 4.34Å; V145-Y449 HydrophobicContact CG1-CE2 4.04Å
146F93.1Very high92.4Very high14 Ų1440.6 Ų40.66%0.06122%0.218CC..Hα-helixtrans-50.8-43.7-176-177.5-97.7000115.3L142 L148 V149 V150 I347 S348 Y349 L352 L452 M456L142-F146 WeakPolarHBondContact O-CB 3.04Å; L142-F146 PolarHBondContact O-N 2.97Å; F146-L148 VanDerWaalsContact C-N 3.26Å; F146-L148 PolarHBondContact O-N 3.4Å; F146-V149 WeakPolarHBondContact O-CB 3.28Å; F146-V149 PolarHBondContact O-N 3.28Å; F146-V150 HydrophobicContact CD1-CG2 4.06Å; F146-V150 HydrophobicContact CE1-CG2 3.65Å; F146-V150 HydrophobicContact CZ-CG2 3.99Å; F146-V150 PolarHBondContact O-N 3.09Å; F146-I347 WeakPolarHBondContact CE1-O 3.28Å; F146-I347 WeakPolarHBondContact CZ-O 3.12Å; F146-S348 WeakPolarHBondContact CZ-O 3.37Å; F146-Y349 HydrophobicContact CB-CD2 4.12Å; F146-Y349 AromaticContact CD2-CD2 3.77Å; F146-Y349 HydrophobicContact CD2-CD2 3.77Å; F146-Y349 HydrophobicContact CD2-CG 4.49Å; F146-Y349 VanDerWaalsContact CE1-N 3.3Å; F146-Y349 HydrophobicContact CE2-CD2 4.34Å; F146-Y349 AromaticContact CG-CD2 4Å; F146-Y349 HydrophobicContact CG-CD2 4Å; F146-L352 HydrophobicContact CE2-CB 4.39Å; F146-L352 HydrophobicContact CE2-CD2 3.91Å; F146-L452 HydrophobicContact CD2-CD1 3.9Å; F146-L452 HydrophobicContact CD2-CD2 4.18Å; F146-L452 HydrophobicContact CD2-CG 4.24Å; F146-L452 HydrophobicContact CE2-CD1 4.19Å; F146-M456 HydrophobicContact CD2-CE 4.26Å; F146-M456 HydrophobicContact CE1-CE 4.15Å; F146-M456 HydrophobicContact CE2-CE 3.3Å; F146-M456 HydrophobicContact CZ-CE 3.23Å
147P92.7Very high92.7Very high81 Ų8141.1 Ų41.153%0.52622%0.221SC..Hα-helixtrans-58.3-35.1176.2-25.136000113.8Q144 V145 V150 Q151Q144-P147 WeakPolarHBondContact O-CD 3.33Å; V145-P147 VanDerWaalsContact C-CD 3.48Å; P147-V150 PolarHBondContact O-N 3.36Å; P147-Q151 PolarHBondContact O-N 3.1Å
148L91.9Very high92.8Very high31 Ų3146.5 Ų46.516%0.16225%0.246CC..Hα-helixtrans-65-42.4174.6-63.6169.4000110.6V145 F146 V150 Q151 F152V145-L148 VanDerWaalsContact O-CB 3.32Å; V145-L148 WeakPolarHBondContact O-CB 3.21Å; V145-L148 PolarHBondContact O-N 3.29Å; F146-L148 VanDerWaalsContact C-N 3.26Å; F146-L148 PolarHBondContact O-N 3.4Å; L148-V150 VanDerWaalsContact C-N 3.31Å; L148-V150 PolarHBondContact O-N 3.2Å; L148-Q151 WeakPolarHBondContact O-CB 3.36Å; L148-Q151 PolarHBondContact O-N 3Å; L148-F152 WeakPolarHBondContact O-CD2 3.23Å; L148-F152 PolarHBondContact O-N 2.63Å
149V94.6Very high92.9Very high0 Ų046.5 Ų46.50%024%0.241CC..Hα-helixtrans-60.4-42.6177.6-172.80000110.8V145 F146 A153 V182 V453 M456V145-V149 HydrophobicContact CG1-CG2 4.23Å; V145-V149 PolarHBondContact O-N 3.29Å; F146-V149 WeakPolarHBondContact O-CB 3.28Å; F146-V149 PolarHBondContact O-N 3.28Å; V149-A153 VanDerWaalsContact O-CB 3.32Å; V149-A153 WeakPolarHBondContact O-CB 3.49Å; V149-A153 PolarHBondContact O-N 3.11Å; V149-V182 HydrophobicContact CG2-CG1 4.19Å; V149-V453 HydrophobicContact CG1-CG2 4.25Å; V149-V453 HydrophobicContact CG2-CG2 4.09Å; V149-M456 HydrophobicContact CG1-CB 3.81Å; V149-M456 HydrophobicContact CG1-CG 3.92Å
150V94.7Very high93.1Very high27 Ų2743.6 Ų43.616%0.16422%0.221CC..Hα-helixtrans-59.8-50.2174.6177.20000110.7F146 P147 L148 F152 A153 D154 M456F146-V150 HydrophobicContact CD1-CG2 4.06Å; F146-V150 HydrophobicContact CE1-CG2 3.65Å; F146-V150 HydrophobicContact CZ-CG2 3.99Å; F146-V150 PolarHBondContact O-N 3.09Å; P147-V150 PolarHBondContact O-N 3.36Å; L148-V150 VanDerWaalsContact C-N 3.31Å; L148-V150 PolarHBondContact O-N 3.2Å; V150-F152 PolarHBondContact O-N 2.74Å; V150-A153 WeakPolarHBondContact O-CB 3.48Å; V150-A153 PolarHBondContact O-N 3.24Å; V150-A153 VanDerWaalsContact O-N 3.09Å; V150-D154 PolarHBondContact O-N 3.38Å; V150-M456 HydrophobicContact CG2-CE 3.47Å; V150-M456 VanDerWaalsContact CG2-CE 3.47Å
151Q94.3Very high93.2Very high78 Ų7843.9 Ų43.936%0.36422%0.223SC..Hα-helixtrans-55.3-47.1-179.7175.8-175.5-7.500112.6P147 L148 D154 R155 E191P147-Q151 PolarHBondContact O-N 3.1Å; L148-Q151 WeakPolarHBondContact O-CB 3.36Å; L148-Q151 PolarHBondContact O-N 3Å; Q151-D154 PolarHBondContact O-N 2.98Å; Q151-R155 PolarHBondContact O-N 3.09Å; Q151-E191 PolarHBondContact NE2-OE1 3.23Å
152F95.1Very high93.4Very high1 Ų147.1 Ų47.10%0.00424%0.242CC..Hα-helixtrans-73-29.4178.5-72.1-68.5000112.7L148 V150 R155 F156 F178 D181 V182 S185 E191 I195L148-F152 WeakPolarHBondContact O-CD2 3.23Å; L148-F152 PolarHBondContact O-N 2.63Å; V150-F152 PolarHBondContact O-N 2.74Å; F152-R155 PolarHBondContact O-N 2.79Å; F152-F156 WeakPolarHBondContact O-CB 3.35Å; F152-F156 PolarHBondContact O-N 3.15Å; F152-F178 HydrophobicContact CB-CD2 4.01Å; F152-F178 HydrophobicContact CB-CE2 3.88Å; F152-D181 HydrophobicContact CD1-CB 3.67Å; F152-D181 HydrophobicContact CE1-CB 3.64Å; F152-D181 HydrophobicContact CG-CB 4.38Å; F152-D181 HydrophobicContact CZ-CB 4.33Å; F152-V182 HydrophobicContact CB-CG2 3.44Å; F152-V182 VanDerWaalsContact CB-CG2 3.44Å; F152-V182 HydrophobicContact CD2-CG2 3.85Å; F152-V182 HydrophobicContact CG-CG2 3.83Å; F152-S185 WeakPolarHBondContact CE2-OG 3.41Å; F152-E191 HydrophobicContact CZ-CG 4.44Å; F152-I195 HydrophobicContact CD1-CD1 4.32Å
153A95.9Very high93.3Very high0 Ų049.2 Ų49.20%026%0.255CS..Hα-helixtrans-66.3-42.5173.800000110.2V149 V150 F156 M157 F178 M456V149-A153 VanDerWaalsContact O-CB 3.32Å; V149-A153 WeakPolarHBondContact O-CB 3.49Å; V149-A153 PolarHBondContact O-N 3.11Å; V150-A153 WeakPolarHBondContact O-CB 3.48Å; V150-A153 PolarHBondContact O-N 3.24Å; V150-A153 VanDerWaalsContact O-N 3.09Å; A153-F156 WeakPolarHBondContact O-CB 3.28Å; A153-F156 PolarHBondContact O-N 3.14Å; A153-M157 VanDerWaalsContact O-CG 3.31Å; A153-M157 WeakPolarHBondContact O-CG 3.44Å; A153-M157 PolarHBondContact O-N 3.15Å; A153-F178 HydrophobicContact CB-CE2 4.12Å; A153-M456 HydrophobicContact CB-CG 3.78Å
154D94.9Very high93.2Very high84 Ų8449.5 Ų49.545%0.44926%0.262SS..Hα-helixtrans-61.6-45173.9-74.4-27.8000111.8V150 Q151 F156 M157 Q158V150-D154 PolarHBondContact O-N 3.38Å; Q151-D154 PolarHBondContact O-N 2.98Å; D154-F156 VanDerWaalsContact C-N 3.32Å; D154-F156 PolarHBondContact O-N 3.35Å; D154-M157 PolarHBondContact O-N 3.09Å; D154-Q158 WeakPolarHBondContact O-CG 3.43Å; D154-Q158 PolarHBondContact O-N 3.37Å
155R95.1Very high93.2Very high39 Ų3945.5 Ų45.515%0.14724%0.244CC..Hα-helixtrans-58.7-44.3174.7-174.6178.8-62174.23.1111.6Q151 F152 Q158 K159 E191 M192 D193 I195Q151-R155 PolarHBondContact O-N 3.09Å; F152-R155 PolarHBondContact O-N 2.79Å; R155-Q158 PolarHBondContact O-N 2.89Å; R155-K159 PolarHBondContact O-N 3.46Å; R155-E191 IonicContact CZ-OE1 2.7Å; R155-E191 IonicContact NH1-OE1 2.87Å; R155-E191 IonicContact NH2-OE1 3Å; R155-E191 PolarHBondContact NH2-OE1 3.35Å; R155-M192 PolarHBondContact NH1-O 3.45Å; R155-M192 VanDerWaalsContact NH1-O 3.08Å; R155-D193 IonicContact NH1-OD1 3.65Å; R155-I195 HydrophobicContact CB-CD1 4.28Å; R155-I195 HydrophobicContact CG-CB 4.46Å; R155-I195 HydrophobicContact CG-CD1 4.14Å; R155-I195 HydrophobicContact CG-CG2 4.22Å
156F96.3Very high92.8Very high3 Ų352.1 Ų52.11%0.01328%0.279CS..Hα-helixtrans-60-46.4175173.9-87.1000111.5F152 A153 D154 Q158 K159 L160 L174 V175 F178 I195 L457 I461F152-F156 WeakPolarHBondContact O-CB 3.35Å; F152-F156 PolarHBondContact O-N 3.15Å; A153-F156 WeakPolarHBondContact O-CB 3.28Å; A153-F156 PolarHBondContact O-N 3.14Å; D154-F156 VanDerWaalsContact C-N 3.32Å; D154-F156 PolarHBondContact O-N 3.35Å; F156-Q158 VanDerWaalsContact C-N 3.33Å; F156-Q158 PolarHBondContact O-N 2.98Å; F156-K159 PolarHBondContact O-N 2.96Å; F156-L160 HydrophobicContact CE1-CB 4.39Å; F156-L160 HydrophobicContact CE1-CD2 4Å; F156-L160 WeakPolarHBondContact O-CB 3.21Å; F156-L160 PolarHBondContact O-N 3.23Å; F156-L174 HydrophobicContact CE2-CD1 4.2Å; F156-L174 HydrophobicContact CE2-CG 3.86Å; F156-L174 WeakPolarHBondContact CE2-O 3.22Å; F156-L174 HydrophobicContact CZ-CD1 4.34Å; F156-L174 HydrophobicContact CZ-CD2 4.01Å; F156-L174 HydrophobicContact CZ-CG 3.85Å; F156-V175 HydrophobicContact CE2-CG1 4.25Å; F156-V175 HydrophobicContact CZ-CG1 4.17Å; F156-F178 HydrophobicContact CB-CB 4.48Å; F156-F178 HydrophobicContact CB-CD2 4.05Å; F156-F178 HydrophobicContact CD2-CB 3.89Å; F156-F178 HydrophobicContact CG-CB 4.48Å; F156-I195 HydrophobicContact CB-CD1 4.35Å; F156-L457 HydrophobicContact CB-CD1 4.17Å; F156-L457 HydrophobicContact CD1-CD1 3.41Å; F156-L457 VanDerWaalsContact CD1-CD1 3.41Å; F156-L457 HydrophobicContact CD2-CD1 4.3Å; F156-L457 HydrophobicContact CE1-CD1 3.78Å; F156-L457 HydrophobicContact CE1-CG 4.46Å; F156-L457 HydrophobicContact CG-CD1 3.69Å; F156-L457 HydrophobicContact CZ-CD1 4.36Å; F156-I461 HydrophobicContact CE1-CD1 3.88Å; F156-I461 HydrophobicContact CE1-CG1 3.83Å; F156-I461 HydrophobicContact CZ-CD1 4.21Å
157M95.8Very high92.4Very high12 Ų1253.3 Ų53.36%0.05930%0.295CS..Hα-helixtrans-65.4-35180-68.3-49.2-62.800112.6A153 D154 L160 G161 C460 I461 K464 Y465A153-M157 VanDerWaalsContact O-CG 3.31Å; A153-M157 WeakPolarHBondContact O-CG 3.44Å; A153-M157 PolarHBondContact O-N 3.15Å; D154-M157 PolarHBondContact O-N 3.09Å; M157-L160 HydrophobicContact CE-CD2 4.11Å; M157-L160 PolarHBondContact O-N 3.44Å; M157-L160 HydrophobicContact SD-CD2 4.29Å; M157-G161 PolarHBondContact O-N 3.04Å; M157-C460 VanDerWaalsContact CE-O 3.23Å; M157-C460 WeakPolarHBondContact CE-O 3.47Å; M157-C460 HydrophobicContact CG-CB 3.77Å; M157-C460 HydrophobicContact SD-CB 3.91Å; M157-I461 HydrophobicContact SD-CG1 4.05Å; M157-K464 HydrophobicContact CE-CB 4Å; M157-K464 HydrophobicContact CE-CD 3.92Å; M157-K464 HydrophobicContact CE-CG 4.27Å; M157-Y465 HydrophobicContact CE-CD2 3.74Å; M157-Y465 HydrophobicContact CE-CE2 3.57Å
158Q94.9Very high92.4Very high130 Ų13051.5 Ų51.561%0.60728%0.284SS*.Hα-helixtrans-62.5-46.9172.1-71.317212.100111.2D154 R155 F156 L160 G161 Q162D154-Q158 WeakPolarHBondContact O-CG 3.43Å; D154-Q158 PolarHBondContact O-N 3.37Å; R155-Q158 PolarHBondContact O-N 2.89Å; F156-Q158 VanDerWaalsContact C-N 3.33Å; F156-Q158 PolarHBondContact O-N 2.98Å; Q158-L160 PolarHBondContact O-N 3.04Å; Q158-G161 PolarHBondContact O-N 3.16Å; Q158-Q162 WeakPolarHBondContact O-CG 3.42Å; Q158-Q162 PolarHBondContact O-N 3.14Å
159K93.9Very high92.6Very high65 Ų6551 Ų5128%0.28328%0.281SS..Hα-helixtrans-62.5-42.5176.8-178.460.3171-171.80112R155 F156 G161 Q162 T163 I195R155-K159 PolarHBondContact O-N 3.46Å; F156-K159 PolarHBondContact O-N 2.96Å; K159-G161 VanDerWaalsContact C-N 3.31Å; K159-G161 PolarHBondContact O-N 3.44Å; K159-Q162 PolarHBondContact O-N 3.11Å; K159-Q162 VanDerWaalsContact O-N 3.15Å; K159-T163 PolarHBondContact O-N 3.31Å; K159-T163 VanDerWaalsContact O-N 3.15Å; K159-T163 PolarHBondContact O-OG1 2.91Å; K159-I195 HydrophobicContact CB-CG2 3.71Å; K159-I195 HydrophobicContact CG-CG2 3.96Å
160L94.4Very high92.7Very high1 Ų152.2 Ų52.21%0.00529%0.288CS..Hα-helixtrans-61.4-40.6177.6-174.962.1000111.4F156 M157 Q158 Q162 T163 L165 L174 Y465 F493F156-L160 HydrophobicContact CE1-CB 4.39Å; F156-L160 HydrophobicContact CE1-CD2 4Å; F156-L160 WeakPolarHBondContact O-CB 3.21Å; F156-L160 PolarHBondContact O-N 3.23Å; M157-L160 HydrophobicContact CE-CD2 4.11Å; M157-L160 PolarHBondContact O-N 3.44Å; M157-L160 HydrophobicContact SD-CD2 4.29Å; Q158-L160 PolarHBondContact O-N 3.04Å; L160-Q162 PolarHBondContact O-N 2.98Å; L160-T163 WeakPolarHBondContact O-CB 3.42Å; L160-T163 PolarHBondContact O-N 3.49Å; L160-T163 VanDerWaalsContact O-N 3.12Å; L160-L165 HydrophobicContact CD1-CD2 3.82Å; L160-L174 HydrophobicContact CD1-CD1 4.17Å; L160-L174 HydrophobicContact CD1-CD2 3.95Å; L160-Y465 HydrophobicContact CD2-CD2 3.76Å; L160-Y465 HydrophobicContact CD2-CE2 3.67Å; L160-Y465 HydrophobicContact CD2-CG 4.43Å; L160-Y465 HydrophobicContact CG-CE2 4.07Å; L160-F493 HydrophobicContact CD2-CD1 4.34Å
161G92.9Very high92.7Very high50 Ų5051 Ų5152%0.51528%0.28SS..Hα-helixtrans-65.1-21176.100000115.1M157 Q158 K159 Y465M157-G161 PolarHBondContact O-N 3.04Å; Q158-G161 PolarHBondContact O-N 3.16Å; K159-G161 VanDerWaalsContact C-N 3.31Å; K159-G161 PolarHBondContact O-N 3.44Å; G161-Y465 WeakPolarHBondContact CA-OH 3.12Å
162Q91.3Very high92.7Very high149 Ų14950.1 Ų50.170%0.69628%0.276SS*.Hα-helixtrans-95.4-9175.2-641716.300113Q158 K159 L160Q158-Q162 WeakPolarHBondContact O-CG 3.42Å; Q158-Q162 PolarHBondContact O-N 3.14Å; K159-Q162 PolarHBondContact O-N 3.11Å; K159-Q162 VanDerWaalsContact O-N 3.15Å; L160-Q162 PolarHBondContact O-N 2.98Å
163T89.6Confident92.5Very high46 Ų4657.2 Ų57.228%0.28231%0.306SS..SBendtrans-80.1140.7-177.1-60.30000109.6K159 L160 L165K159-T163 PolarHBondContact O-N 3.31Å; K159-T163 VanDerWaalsContact O-N 3.15Å; K159-T163 PolarHBondContact O-OG1 2.91Å; L160-T163 WeakPolarHBondContact O-CB 3.42Å; L160-T163 PolarHBondContact O-N 3.49Å; L160-T163 VanDerWaalsContact O-N 3.12Å; T163-L165 HydrophobicContact CG2-CD2 4.12Å; T163-L165 WeakPolarHBondContact O-CG 3.42Å; T163-L165 PolarHBondContact O-N 3.12Å; T163-L165 VanDerWaalsContact O-N 3.11Å
164D87.3Confident92.4Very high115 Ų11558.6 Ų58.662%0.61531%0.313SS*.  trans-69.4107.5171.5-178.512.9000110N166D164-N166 VanDerWaalsContact OD1-CB 3.31Å; D164-N166 WeakPolarHBondContact OD1-CB 3.45Å; D164-N166 PolarHBondContact OD1-N 3.44Å; D164-N166 VanDerWaalsContact OD1-N 3.11Å; D164-N166 PolarHBondContact OD1-ND2 2.63Å
165L88.6Confident92.4Very high24 Ų2454.6 Ų54.613%0.12629%0.292CS..  trans-92.55.2-177.2-51.8-177.9000113.3L160 T163 G167 I169 Y465 F493L160-L165 HydrophobicContact CD1-CD2 3.82Å; T163-L165 HydrophobicContact CG2-CD2 4.12Å; T163-L165 WeakPolarHBondContact O-CG 3.42Å; T163-L165 PolarHBondContact O-N 3.12Å; T163-L165 VanDerWaalsContact O-N 3.11Å; L165-G167 PolarHBondContact O-N 3.03Å; L165-I169 HydrophobicContact CD2-CD1 3.43Å; L165-I169 VanDerWaalsContact CD2-CD1 3.43Å; L165-Y465 HydrophobicContact CD1-CD1 3.92Å; L165-Y465 HydrophobicContact CD1-CE1 3.32Å; L165-F493 HydrophobicContact CD1-CB 4.26Å; L165-F493 HydrophobicContact CD2-CB 4.37Å
166N81.6Confident92.3Very high145 Ų14552.9 Ų52.978%0.77529%0.286SS*.SBendtrans-70.3-15.8-177.9-68.1-49.4000113.5D164D164-N166 VanDerWaalsContact OD1-CB 3.31Å; D164-N166 WeakPolarHBondContact OD1-CB 3.45Å; D164-N166 PolarHBondContact OD1-N 3.44Å; D164-N166 VanDerWaalsContact OD1-N 3.11Å; D164-N166 PolarHBondContact OD1-ND2 2.63Å
167G85.1Confident92.1Very high39 Ų3953.1 Ų53.140%0.40229%0.288SS..SBendtrans-111.2-179.3-177.600000115.2L165L165-G167 PolarHBondContact O-N 3.03Å
168S93.1Very high92.1Very high42 Ų4252.6 Ų52.629%0.29429%0.285SS..  trans-70.6128.2169.671.50000110.3D472 K490S168-D472 PolarHBondContact OG-OD2 3.01Å; S168-K490 PolarHBondContact OG-NZ 3.41Å; S168-K490 VanDerWaalsContact OG-NZ 3.12Å
169I95.4Very high92Very high21 Ų2146.5 Ų46.511%0.10826%0.257CS..EExtended strand (participates in β ladder)trans-106.3128.8178.6-56.9-178000109.8L165 V171 L174 K490 L491 F493L165-I169 HydrophobicContact CD2-CD1 3.43Å; L165-I169 VanDerWaalsContact CD2-CD1 3.43Å; I169-V171 PolarHBondContact O-N 2.99Å; I169-V171 VanDerWaalsContact O-N 3.16Å; I169-L174 HydrophobicContact CG2-CB 4.09Å; I169-L174 HydrophobicContact CG2-CD2 4.08Å; I169-L174 HydrophobicContact CG2-CG 4.5Å; I169-K490 VanDerWaalsContact O-CA 3.24Å; I169-K490 WeakPolarHBondContact O-CA 3.47Å; I169-L491 PolarHBondContact N-O 2.75Å; I169-L491 PolarHBondContact O-N 3.35Å; I169-F493 HydrophobicContact CB-CD2 4.37Å; I169-F493 HydrophobicContact CB-CE2 4.34Å; I169-F493 HydrophobicContact CD1-CD2 3.91Å
170D95.7Very high91.9Very high26 Ų2643.4 Ų43.414%0.13924%0.244CC..EExtended strand (participates in β ladder)trans-68.9105.4167.5-178.3-26.8000108.9K172 K173 L174 P488D170-K172 VanDerWaalsContact C-N 3.29Å; D170-K172 PolarHBondContact O-N 3.02Å; D170-K172 PolarHBondContact OD1-N 3.48Å; D170-K173 HydrophobicContact CB-CB 4.11Å; D170-K173 HydrophobicContact CB-CD 4.08Å; D170-K173 HydrophobicContact CB-CG 4.22Å; D170-K173 PolarHBondContact O-N 3.08Å; D170-K173 PolarHBondContact OD1-N 3.45Å; D170-K173 VanDerWaalsContact OD2-CD 3.28Å; D170-K173 WeakPolarHBondContact OD2-CD 3.24Å; D170-K173 VanDerWaalsContact OD2-CE 3.24Å; D170-K173 WeakPolarHBondContact OD2-CE 3.49Å; D170-K173 WeakPolarHBondContact OD2-CG 3.38Å; D170-K173 IonicContact OD2-NZ 3.82Å; D170-L174 PolarHBondContact O-N 2.66Å; D170-L174 VanDerWaalsContact O-N 3.09Å; D170-P488 WeakPolarHBondContact OD2-CB 3.44Å
171V96.2Very high91.7Very high0 Ų043.3 Ų43.30%024%0.244CC..Hα-helixtrans-63.1-39.5-171.1-177.10000110.8I169 L174 V175 L320 V489 L491 F493I169-V171 PolarHBondContact O-N 2.99Å; I169-V171 VanDerWaalsContact O-N 3.16Å; V171-L174 WeakPolarHBondContact O-CB 3.02Å; V171-L174 PolarHBondContact O-N 3.14Å; V171-V175 HydrophobicContact CG1-CG1 4.38Å; V171-V175 WeakPolarHBondContact O-CG2 3.26Å; V171-V175 PolarHBondContact O-N 2.9Å; V171-L320 HydrophobicContact CG1-CB 4.39Å; V171-L320 HydrophobicContact CG1-CD1 3.69Å; V171-V489 HydrophobicContact CG2-CG1 4.25Å; V171-V489 WeakPolarHBondContact CG2-O 3.11Å; V171-V489 PolarHBondContact N-O 3.22Å; V171-L491 HydrophobicContact CG2-CB 3.8Å; V171-L491 HydrophobicContact CG2-CD1 3.62Å; V171-L491 HydrophobicContact CG2-CG 3.67Å; V171-F493 HydrophobicContact CG2-CE2 4.47Å
172K93.3Very high91.8Very high61 Ų6141.1 Ų41.127%0.26522%0.22SC..Hα-helixtrans-66.3-43.9-178.7-175.2169.7178169.20110.8D170 L174 V175 A176 E310 T314 S317D170-K172 VanDerWaalsContact C-N 3.29Å; D170-K172 PolarHBondContact O-N 3.02Å; D170-K172 PolarHBondContact OD1-N 3.48Å; K172-L174 PolarHBondContact O-N 3.07Å; K172-V175 PolarHBondContact O-N 3.47Å; K172-A176 WeakPolarHBondContact O-CB 3.42Å; K172-A176 PolarHBondContact O-N 3.17Å; K172-E310 WeakPolarHBondContact CE-OE2 2.94Å; K172-E310 IonicContact NZ-OE1 3.37Å; K172-E310 PolarHBondContact NZ-OE1 3.47Å; K172-E310 IonicContact NZ-OE2 2.71Å; K172-E310 PolarHBondContact NZ-OE2 3.04Å; K172-T314 PolarHBondContact NZ-OG1 3.2Å; K172-S317 VanDerWaalsContact CA-OG 3.3Å; K172-S317 WeakPolarHBondContact CA-OG 3.36Å; K172-S317 PolarHBondContact N-OG 2.77Å
173K91.9Very high91.7Very high150 Ų15034.1 Ų34.165%0.65219%0.188SC*.Hα-helixtrans-62.5-32.2175.5-72-177-174.7176.30112.8D170 P177D170-K173 HydrophobicContact CB-CB 4.11Å; D170-K173 HydrophobicContact CB-CD 4.08Å; D170-K173 HydrophobicContact CB-CG 4.22Å; D170-K173 PolarHBondContact O-N 3.08Å; D170-K173 PolarHBondContact OD1-N 3.45Å; D170-K173 VanDerWaalsContact OD2-CD 3.28Å; D170-K173 WeakPolarHBondContact OD2-CD 3.24Å; D170-K173 VanDerWaalsContact OD2-CE 3.24Å; D170-K173 WeakPolarHBondContact OD2-CE 3.49Å; D170-K173 WeakPolarHBondContact OD2-CG 3.38Å; D170-K173 IonicContact OD2-NZ 3.82Å; K173-P177 VanDerWaalsContact O-CD 3.24Å; K173-P177 WeakPolarHBondContact O-CD 3.49Å
174L93.5Very high91.7Very high28 Ų2832.1 Ų32.115%0.14718%0.175CC..Hα-helixtrans-70-49.6176.8-179.968.8000111.8F156 L160 I169 D170 V171 K172 F493F156-L174 HydrophobicContact CE2-CD1 4.2Å; F156-L174 HydrophobicContact CE2-CG 3.86Å; F156-L174 WeakPolarHBondContact CE2-O 3.22Å; F156-L174 HydrophobicContact CZ-CD1 4.34Å; F156-L174 HydrophobicContact CZ-CD2 4.01Å; F156-L174 HydrophobicContact CZ-CG 3.85Å; L160-L174 HydrophobicContact CD1-CD1 4.17Å; L160-L174 HydrophobicContact CD1-CD2 3.95Å; I169-L174 HydrophobicContact CG2-CB 4.09Å; I169-L174 HydrophobicContact CG2-CD2 4.08Å; I169-L174 HydrophobicContact CG2-CG 4.5Å; D170-L174 PolarHBondContact O-N 2.66Å; D170-L174 VanDerWaalsContact O-N 3.09Å; V171-L174 WeakPolarHBondContact O-CB 3.02Å; V171-L174 PolarHBondContact O-N 3.14Å; K172-L174 PolarHBondContact O-N 3.07Å; L174-F493 HydrophobicContact CD2-CE1 4.27Å; L174-F493 HydrophobicContact CD2-CE2 3.95Å; L174-F493 HydrophobicContact CD2-CZ 3.73Å
175V95.4Very high91.7Very high0 Ų027 Ų270%015%0.148CC..Hα-helixtrans-91.9-16.2-170.8-53.90000114.8F156 V171 K172 F178 S179 L316 L320 L457F156-V175 HydrophobicContact CE2-CG1 4.25Å; F156-V175 HydrophobicContact CZ-CG1 4.17Å; V171-V175 HydrophobicContact CG1-CG1 4.38Å; V171-V175 WeakPolarHBondContact O-CG2 3.26Å; V171-V175 PolarHBondContact O-N 2.9Å; K172-V175 PolarHBondContact O-N 3.47Å; V175-F178 PolarHBondContact O-N 2.79Å; V175-S179 PolarHBondContact O-N 3.08Å; V175-S179 VanDerWaalsContact O-N 3.15Å; V175-S179 PolarHBondContact O-OG 2.87Å; V175-S179 VanDerWaalsContact O-OG 3.14Å; V175-L316 HydrophobicContact CB-CD1 4.25Å; V175-L316 HydrophobicContact CG2-CB 3.97Å; V175-L316 HydrophobicContact CG2-CD1 4.28Å; V175-L320 HydrophobicContact CG1-CD1 4.48Å; V175-L457 HydrophobicContact CB-CD2 4.12Å; V175-L457 HydrophobicContact CG1-CD2 3.99Å
176A92.6Very high91.6Very high3 Ų325.9 Ų25.93%0.02514%0.143CC..Hα-helixtrans-62.9-43.218000000113.7K172 F178 S179 L180 Y309K172-A176 WeakPolarHBondContact O-CB 3.42Å; K172-A176 PolarHBondContact O-N 3.17Å; A176-F178 VanDerWaalsContact C-N 3.32Å; A176-F178 PolarHBondContact O-N 2.64Å; A176-S179 WeakPolarHBondContact O-CB 3.34Å; A176-S179 PolarHBondContact O-N 3.21Å; A176-S179 VanDerWaalsContact O-N 3.09Å; A176-L180 PolarHBondContact O-N 3.16Å; A176-Y309 HydrophobicContact CB-CD2 4.5Å; A176-Y309 HydrophobicContact CB-CE2 3.64Å; A176-Y309 WeakPolarHBondContact O-CD2 3.31Å; A176-Y309 VanDerWaalsContact O-CE2 3.29Å; A176-Y309 WeakPolarHBondContact O-CE2 3.46Å
177P92.2Very high91.7Very high9 Ų919 Ų196%0.05811%0.106CC..Hα-helixtrans-59.3-39.3175-26.636.4000113.6K173 S179 L180 D181 S194 I195K173-P177 VanDerWaalsContact O-CD 3.24Å; K173-P177 WeakPolarHBondContact O-CD 3.49Å; P177-S179 VanDerWaalsContact C-N 3.33Å; P177-S179 PolarHBondContact O-N 2.98Å; P177-L180 WeakPolarHBondContact O-CB 3.32Å; P177-L180 PolarHBondContact O-N 3.21Å; P177-D181 PolarHBondContact O-N 3.25Å; P177-S194 WeakPolarHBondContact CB-O 3.29Å; P177-I195 HydrophobicContact CB-CG1 4.25Å
178F94.3Very high91.5Very high0 Ų017.3 Ų17.30%09%0.087CC..Hα-helixtrans-60-44.5173164-94.8000111.8F152 A153 F156 V175 A176 L180 D181 V182 I195 V453 L457F152-F178 HydrophobicContact CB-CD2 4.01Å; F152-F178 HydrophobicContact CB-CE2 3.88Å; A153-F178 HydrophobicContact CB-CE2 4.12Å; F156-F178 HydrophobicContact CB-CB 4.48Å; F156-F178 HydrophobicContact CB-CD2 4.05Å; F156-F178 HydrophobicContact CD2-CB 3.89Å; F156-F178 HydrophobicContact CG-CB 4.48Å; V175-F178 PolarHBondContact O-N 2.79Å; A176-F178 VanDerWaalsContact C-N 3.32Å; A176-F178 PolarHBondContact O-N 2.64Å; F178-L180 VanDerWaalsContact C-N 3.27Å; F178-L180 PolarHBondContact O-N 2.65Å; F178-D181 PolarHBondContact O-N 3.34Å; F178-V182 HydrophobicContact CD2-CG2 3.9Å; F178-V182 HydrophobicContact CE1-CG2 4.28Å; F178-V182 HydrophobicContact CE2-CG2 3.53Å; F178-V182 HydrophobicContact CG-CG2 4.42Å; F178-V182 HydrophobicContact CZ-CG2 3.76Å; F178-V182 WeakPolarHBondContact O-CB 3.25Å; F178-V182 VanDerWaalsContact O-CG2 3.24Å; F178-V182 WeakPolarHBondContact O-CG2 3.46Å; F178-V182 PolarHBondContact O-N 2.78Å; F178-I195 HydrophobicContact CB-CD1 4.2Å; F178-I195 HydrophobicContact CB-CG1 4.27Å; F178-I195 HydrophobicContact CD2-CD1 4.37Å; F178-V453 HydrophobicContact CE1-CG1 3.66Å; F178-V453 HydrophobicContact CZ-CG1 4.01Å; F178-L457 HydrophobicContact CD1-CB 4.46Å; F178-L457 HydrophobicContact CD1-CD1 4.07Å; F178-L457 HydrophobicContact CD1-CD2 3.63Å; F178-L457 HydrophobicContact CD1-CG 4.26Å; F178-L457 HydrophobicContact CD2-CD1 4.11Å; F178-L457 HydrophobicContact CE1-CB 3.8Å; F178-L457 HydrophobicContact CE1-CD1 4Å; F178-L457 HydrophobicContact CE1-CD2 3.82Å; F178-L457 HydrophobicContact CE1-CG 4.08Å; F178-L457 HydrophobicContact CE2-CD1 4.06Å; F178-L457 HydrophobicContact CG-CD1 4.11Å; F178-L457 HydrophobicContact CG-CD2 4.27Å; F178-L457 HydrophobicContact CZ-CB 4.04Å; F178-L457 HydrophobicContact CZ-CD1 4Å; F178-L457 HydrophobicContact CZ-CG 4.43Å
179S93.6Very high90.8Very high2 Ų216.8 Ų16.81%0.0148%0.084CC..Hα-helixtrans-62.9-36.3178.3-560000111.8V175 A176 P177 V183V175-S179 PolarHBondContact O-N 3.08Å; V175-S179 VanDerWaalsContact O-N 3.15Å; V175-S179 PolarHBondContact O-OG 2.87Å; V175-S179 VanDerWaalsContact O-OG 3.14Å; A176-S179 WeakPolarHBondContact O-CB 3.34Å; A176-S179 PolarHBondContact O-N 3.21Å; A176-S179 VanDerWaalsContact O-N 3.09Å; P177-S179 VanDerWaalsContact C-N 3.33Å; P177-S179 PolarHBondContact O-N 2.98Å; S179-V183 WeakPolarHBondContact O-CG1 3.43Å; S179-V183 PolarHBondContact O-N 3.42Å
180L91.4Very high90Very high0 Ų017.1 Ų17.10%09%0.087CC..Hα-helixtrans-66.3-54.8176.3-173.256.3000111.2A176 P177 F178 V182 V183 T184 M192 H203 I305 Y309A176-L180 PolarHBondContact O-N 3.16Å; P177-L180 WeakPolarHBondContact O-CB 3.32Å; P177-L180 PolarHBondContact O-N 3.21Å; F178-L180 VanDerWaalsContact C-N 3.27Å; F178-L180 PolarHBondContact O-N 2.65Å; L180-V182 VanDerWaalsContact C-N 3.3Å; L180-V182 PolarHBondContact O-N 3.21Å; L180-V183 VanDerWaalsContact O-CG1 3.29Å; L180-V183 WeakPolarHBondContact O-CG1 3.46Å; L180-V183 PolarHBondContact O-N 2.98Å; L180-T184 HydrophobicContact CD1-CG2 3.9Å; L180-T184 HydrophobicContact CG-CG2 4.41Å; L180-T184 WeakPolarHBondContact O-CG2 3.2Å; L180-T184 PolarHBondContact O-N 3.02Å; L180-T184 PolarHBondContact O-OG1 3.02Å; L180-M192 HydrophobicContact CD2-CE 4.11Å; L180-M192 HydrophobicContact CG-CE 4.31Å; L180-H203 HydrophobicContact CD2-CB 3.99Å; L180-I305 HydrophobicContact CD1-CG2 3.79Å; L180-Y309 HydrophobicContact CB-CD2 3.63Å; L180-Y309 HydrophobicContact CB-CE2 4.03Å; L180-Y309 HydrophobicContact CD1-CD2 4.22Å; L180-Y309 HydrophobicContact CD1-CG 4.43Å; L180-Y309 HydrophobicContact CG-CD2 4.38Å
181D91.6Very high89Confident0 Ų021.6 Ų21.60%011%0.107CC..Hα-helixtrans-60.6-40.9-175.9-71.9-7.6000111.3F152 P177 F178 T184 S185 M192 S194 I195F152-D181 HydrophobicContact CD1-CB 3.67Å; F152-D181 HydrophobicContact CE1-CB 3.64Å; F152-D181 HydrophobicContact CG-CB 4.38Å; F152-D181 HydrophobicContact CZ-CB 4.33Å; P177-D181 PolarHBondContact O-N 3.25Å; F178-D181 PolarHBondContact O-N 3.34Å; D181-T184 PolarHBondContact O-OG1 2.99Å; D181-S185 WeakPolarHBondContact O-CB 3.4Å; D181-S185 PolarHBondContact O-N 3.33Å; D181-M192 VanDerWaalsContact OD1-CB 3.26Å; D181-M192 WeakPolarHBondContact OD1-CB 3.18Å; D181-S194 WeakPolarHBondContact OD1-CB 3.31Å; D181-S194 PolarHBondContact OD1-N 2.89Å; D181-S194 PolarHBondContact OD1-OG 3.25Å; D181-S194 PolarHBondContact OD2-N 3.25Å; D181-I195 WeakPolarHBondContact OD2-CG1 3.45Å; D181-I195 PolarHBondContact OD2-N 3.15Å; D181-I195 VanDerWaalsContact OD2-N 3.12Å
182V93.2Very high88.1Confident3 Ų322.7 Ų22.72%0.01811%0.112CC..Hα-helixtrans-66.3-42.7178173.90000111.9V149 F152 F178 L180 A186 Y449 V453V149-V182 HydrophobicContact CG2-CG1 4.19Å; F152-V182 HydrophobicContact CB-CG2 3.44Å; F152-V182 VanDerWaalsContact CB-CG2 3.44Å; F152-V182 HydrophobicContact CD2-CG2 3.85Å; F152-V182 HydrophobicContact CG-CG2 3.83Å; F178-V182 HydrophobicContact CD2-CG2 3.9Å; F178-V182 HydrophobicContact CE1-CG2 4.28Å; F178-V182 HydrophobicContact CE2-CG2 3.53Å; F178-V182 HydrophobicContact CG-CG2 4.42Å; F178-V182 HydrophobicContact CZ-CG2 3.76Å; F178-V182 WeakPolarHBondContact O-CB 3.25Å; F178-V182 VanDerWaalsContact O-CG2 3.24Å; F178-V182 WeakPolarHBondContact O-CG2 3.46Å; F178-V182 PolarHBondContact O-N 2.78Å; L180-V182 VanDerWaalsContact C-N 3.3Å; L180-V182 PolarHBondContact O-N 3.21Å; V182-A186 WeakPolarHBondContact O-CB 3.2Å; V182-A186 PolarHBondContact O-N 3.21Å; V182-Y449 WeakPolarHBondContact CG1-OH 3.23Å; V182-Y449 PolarHBondContact O-OH 2.63Å; V182-V453 HydrophobicContact CB-CG1 4.49Å; V182-V453 HydrophobicContact CG1-CB 4.49Å; V182-V453 HydrophobicContact CG1-CG1 3.92Å; V182-V453 HydrophobicContact CG1-CG2 3.68Å
183V91.1Very high87.8Confident3 Ų322.4 Ų22.42%0.01811%0.113CC..Hα-helixtrans-72.4-38.4-179.773.20000112.2S179 L180 S187 F304 I305 Y449S179-V183 WeakPolarHBondContact O-CG1 3.43Å; S179-V183 PolarHBondContact O-N 3.42Å; L180-V183 VanDerWaalsContact O-CG1 3.29Å; L180-V183 WeakPolarHBondContact O-CG1 3.46Å; L180-V183 PolarHBondContact O-N 2.98Å; V183-S187 WeakPolarHBondContact O-CB 3.25Å; V183-S187 PolarHBondContact O-N 2.92Å; V183-S187 PolarHBondContact O-OG 3.29Å; V183-F304 WeakPolarHBondContact CG2-O 3.41Å; V183-I305 HydrophobicContact CG1-CG2 4.38Å; V183-Y449 WeakPolarHBondContact CA-OH 3.45Å
184T88.9Confident87.5Confident4 Ų415.2 Ų15.23%0.0258%0.082CC..Hα-helixtrans-70.7-38.9179.854.10000111.5L180 D181 F188 M192 I305L180-T184 HydrophobicContact CD1-CG2 3.9Å; L180-T184 HydrophobicContact CG-CG2 4.41Å; L180-T184 WeakPolarHBondContact O-CG2 3.2Å; L180-T184 PolarHBondContact O-N 3.02Å; L180-T184 PolarHBondContact O-OG1 3.02Å; D181-T184 PolarHBondContact O-OG1 2.99Å; T184-F188 WeakPolarHBondContact O-CB 3.45Å; T184-F188 WeakPolarHBondContact O-CD2 3.38Å; T184-F188 PolarHBondContact O-N 3Å; T184-M192 HydrophobicContact CG2-SD 3.58Å; T184-M192 VanDerWaalsContact CG2-SD 3.58Å; T184-M192 PolarHBondContact OG1-SD 3.31Å; T184-M192 VanDerWaalsContact OG1-SD 3.35Å; T184-I305 HydrophobicContact CG2-CG1 4.36Å; T184-I305 HydrophobicContact CG2-CG2 4.4Å
185S87.9Confident87.2Confident7 Ų714.4 Ų14.45%0.0498%0.078CC..Hα-helixtrans-68.2-47.9174.4-177.70000111.9F152 D181 S187 S189 V190F152-S185 WeakPolarHBondContact CE2-OG 3.41Å; D181-S185 WeakPolarHBondContact O-CB 3.4Å; D181-S185 PolarHBondContact O-N 3.33Å; S185-S187 VanDerWaalsContact C-N 3.28Å; S185-S187 PolarHBondContact O-N 3.45Å; S185-S189 VanDerWaalsContact O-CA 3.24Å; S185-S189 WeakPolarHBondContact O-CA 3.35Å; S185-S189 PolarHBondContact O-N 3.45Å; S185-V190 VanDerWaalsContact CA-O 3.29Å; S185-V190 WeakPolarHBondContact CA-O 3.39Å; S185-V190 PolarHBondContact N-O 3.02Å
186A85.8Confident86.8Confident1 Ų117 Ų171%0.0089%0.092CC..Hα-helixtrans-65.2-31.3178.600000113.4V145 V182 F267 Y449V145-A186 HydrophobicContact CG1-CB 3.55Å; V182-A186 WeakPolarHBondContact O-CB 3.2Å; V182-A186 PolarHBondContact O-N 3.21Å; A186-F267 PolarHBondContact O-N 2.93Å; A186-Y449 HydrophobicContact CB-CE2 3.89Å; A186-Y449 WeakPolarHBondContact CB-OH 3.36Å
187S83.4Confident86.4Confident0 Ų020.8 Ų20.80%011%0.112CC..Hα-helixtrans-88.5-34-176.5-55.40000113.3V183 S185 L268V183-S187 WeakPolarHBondContact O-CB 3.25Å; V183-S187 PolarHBondContact O-N 2.92Å; V183-S187 PolarHBondContact O-OG 3.29Å; S185-S187 VanDerWaalsContact C-N 3.28Å; S185-S187 PolarHBondContact O-N 3.45Å; S187-L268 WeakPolarHBondContact O-CB 3.1Å; S187-L268 PolarHBondContact O-N 3.39Å
188F81Confident85.2Confident3 Ų323.8 Ų23.81%0.01313%0.131CC..Hα-helixtrans-132.75.4-169.2-44.8-64.6000114.6T184 V190 F253 H257 D266 L268 A301 I305T184-F188 WeakPolarHBondContact O-CB 3.45Å; T184-F188 WeakPolarHBondContact O-CD2 3.38Å; T184-F188 PolarHBondContact O-N 3Å; F188-V190 HydrophobicContact CB-CB 4.41Å; F188-V190 HydrophobicContact CB-CG2 3.85Å; F188-V190 WeakPolarHBondContact O-CG2 3.4Å; F188-V190 PolarHBondContact O-N 3.33Å; F188-V190 VanDerWaalsContact O-N 3.13Å; F188-F253 HydrophobicContact CB-CD2 4.18Å; F188-H257 PolarHBondContact O-CE1 2.87Å; F188-H257 VanDerWaalsContact O-CE1 3.26Å; F188-D266 WeakPolarHBondContact CA-OD2 3.43Å; F188-L268 HydrophobicContact CD1-CB 4.03Å; F188-L268 HydrophobicContact CD1-CD1 4.47Å; F188-L268 HydrophobicContact CD1-CD2 4.09Å; F188-L268 HydrophobicContact CD1-CG 4.41Å; F188-A301 HydrophobicContact CD1-CB 4.5Å; F188-A301 HydrophobicContact CE1-CB 3.33Å; F188-A301 HydrophobicContact CZ-CB 3.63Å; F188-A301 WeakPolarHBondContact CZ-O 3.24Å; F188-I305 HydrophobicContact CE2-CD1 3.54Å; F188-I305 HydrophobicContact CE2-CG1 3.41Å; F188-I305 VanDerWaalsContact CE2-CG1 3.41Å; F188-I305 HydrophobicContact CZ-CD1 3.96Å; F188-I305 HydrophobicContact CZ-CG1 3.85Å
189S78.8Confident84.1Confident32 Ų3231 Ų3122%0.22417%0.17CC..  trans54.929.6-173.4-55.90000113.4S185 D266S185-S189 VanDerWaalsContact O-CA 3.24Å; S185-S189 WeakPolarHBondContact O-CA 3.35Å; S185-S189 PolarHBondContact O-N 3.45Å; S189-D266 WeakPolarHBondContact CB-OD2 3.12Å; S189-D266 PolarHBondContact N-OD2 3.4Å; S189-D266 VanDerWaalsContact N-OD2 3.08Å; S189-D266 WeakPolarHBondContact OG-CB 3.34Å; S189-D266 VanDerWaalsContact OG-CG 3.31Å; S189-D266 PolarHBondContact OG-OD2 2.75Å
190V77.5Confident83.1Confident27 Ų2732.8 Ų32.816%0.16418%0.179CC..  trans-101.6115.7-179.3175.20000109.1S185 F188 M192 F253S185-V190 VanDerWaalsContact CA-O 3.29Å; S185-V190 WeakPolarHBondContact CA-O 3.39Å; S185-V190 PolarHBondContact N-O 3.02Å; F188-V190 HydrophobicContact CB-CB 4.41Å; F188-V190 HydrophobicContact CB-CG2 3.85Å; F188-V190 WeakPolarHBondContact O-CG2 3.4Å; F188-V190 PolarHBondContact O-N 3.33Å; F188-V190 VanDerWaalsContact O-N 3.13Å; V190-M192 HydrophobicContact CG1-CG 3.92Å; V190-M192 PolarHBondContact O-N 2.92Å; V190-F253 HydrophobicContact CB-CE2 4.08Å; V190-F253 HydrophobicContact CB-CZ 4.04Å; V190-F253 HydrophobicContact CG1-CE1 4.22Å; V190-F253 HydrophobicContact CG1-CE2 4.01Å; V190-F253 HydrophobicContact CG1-CZ 3.58Å; V190-F253 HydrophobicContact CG2-CD1 3.65Å; V190-F253 HydrophobicContact CG2-CD2 3.52Å; V190-F253 HydrophobicContact CG2-CE1 3.5Å; V190-F253 VanDerWaalsContact CG2-CE1 3.5Å; V190-F253 HydrophobicContact CG2-CE2 3.32Å; V190-F253 HydrophobicContact CG2-CG 3.68Å; V190-F253 HydrophobicContact CG2-CZ 3.32Å
191E74.9Confident82.4Confident121 Ų12136.6 Ų36.657%0.56520%0.204SC*.  trans-80.4100.9173.7-168.6167.3-171.700109.7Q151 F152 R155Q151-E191 PolarHBondContact NE2-OE1 3.23Å; F152-E191 HydrophobicContact CZ-CG 4.44Å; R155-E191 IonicContact CZ-OE1 2.7Å; R155-E191 IonicContact NH1-OE1 2.87Å; R155-E191 IonicContact NH2-OE1 3Å; R155-E191 PolarHBondContact NH2-OE1 3.35Å
192M78.5Confident81.8Confident22 Ų2237.7 Ų37.711%0.10821%0.21CC..  trans-91.4157.2169.4-65.9-178.757.700110R155 L180 D181 T184 V190 V202R155-M192 PolarHBondContact NH1-O 3.45Å; R155-M192 VanDerWaalsContact NH1-O 3.08Å; L180-M192 HydrophobicContact CD2-CE 4.11Å; L180-M192 HydrophobicContact CG-CE 4.31Å; D181-M192 VanDerWaalsContact OD1-CB 3.26Å; D181-M192 WeakPolarHBondContact OD1-CB 3.18Å; T184-M192 HydrophobicContact CG2-SD 3.58Å; T184-M192 VanDerWaalsContact CG2-SD 3.58Å; T184-M192 PolarHBondContact OG1-SD 3.31Å; T184-M192 VanDerWaalsContact OG1-SD 3.35Å; V190-M192 HydrophobicContact CG1-CG 3.92Å; V190-M192 PolarHBondContact O-N 2.92Å; M192-V202 HydrophobicContact CE-CB 3.36Å; M192-V202 HydrophobicContact CE-CG1 3.44Å; M192-V202 VanDerWaalsContact CE-CG1 3.44Å; M192-V202 HydrophobicContact CE-CG2 3.74Å; M192-V202 HydrophobicContact SD-CG1 4.19Å
193D85.4Confident81Confident55 Ų5538.3 Ų38.329%0.29421%0.213SC..  trans-124.548176.7-167.829.5000111.2R155 I195 N196 N197R155-D193 IonicContact NH1-OD1 3.65Å; D193-I195 VanDerWaalsContact C-N 3.26Å; D193-I195 PolarHBondContact O-N 3.31Å; D193-N196 PolarHBondContact O-N 3.21Å; D193-N196 PolarHBondContact OD1-ND2 2.78Å; D193-N196 WeakPolarHBondContact OD2-CB 3.27Å; D193-N196 PolarHBondContact OD2-ND2 3.25Å; D193-N197 WeakPolarHBondContact O-CB 3.15Å; D193-N197 PolarHBondContact O-N 2.66Å; D193-N197 PolarHBondContact O-ND2 2.97Å; D193-N197 PolarHBondContact OD2-ND2 3.29Å; D193-N197 VanDerWaalsContact OD2-ND2 3.1Å
194S86.8Confident80.5Confident0 Ų040 Ų400%023%0.227CC..THydrogen-bonded Turntrans-67.9-29.6179.9-43.90000111.4P177 D181 N196 N197P177-S194 WeakPolarHBondContact CB-O 3.29Å; D181-S194 WeakPolarHBondContact OD1-CB 3.31Å; D181-S194 PolarHBondContact OD1-N 2.89Å; D181-S194 PolarHBondContact OD1-OG 3.25Å; D181-S194 PolarHBondContact OD2-N 3.25Å; S194-N196 VanDerWaalsContact C-N 3.32Å; S194-N196 PolarHBondContact O-N 2.74Å; S194-N197 CarbonylContact O-C 3.2Å; S194-N197 PolarHBondContact O-N 3.16Å
195I86.9Confident80.1Confident11 Ų1141.8 Ų41.86%0.05624%0.235CC..THydrogen-bonded Turntrans-57-44.1176.5-69163.9000111.4F152 R155 F156 K159 P177 F178 D181 D193F152-I195 HydrophobicContact CD1-CD1 4.32Å; R155-I195 HydrophobicContact CB-CD1 4.28Å; R155-I195 HydrophobicContact CG-CB 4.46Å; R155-I195 HydrophobicContact CG-CD1 4.14Å; R155-I195 HydrophobicContact CG-CG2 4.22Å; F156-I195 HydrophobicContact CB-CD1 4.35Å; K159-I195 HydrophobicContact CB-CG2 3.71Å; K159-I195 HydrophobicContact CG-CG2 3.96Å; P177-I195 HydrophobicContact CB-CG1 4.25Å; F178-I195 HydrophobicContact CB-CD1 4.2Å; F178-I195 HydrophobicContact CB-CG1 4.27Å; F178-I195 HydrophobicContact CD2-CD1 4.37Å; D181-I195 WeakPolarHBondContact OD2-CG1 3.45Å; D181-I195 PolarHBondContact OD2-N 3.15Å; D181-I195 VanDerWaalsContact OD2-N 3.12Å; D193-I195 VanDerWaalsContact C-N 3.26Å; D193-I195 PolarHBondContact O-N 3.31Å
196N86.9Confident79.7Confident54 Ų5441.5 Ų41.529%0.28923%0.233SC..THydrogen-bonded Turntrans-88.8-28.2179.5-65-51.8000112.7D193 S194 P198D193-N196 PolarHBondContact O-N 3.21Å; D193-N196 PolarHBondContact OD1-ND2 2.78Å; D193-N196 WeakPolarHBondContact OD2-CB 3.27Å; D193-N196 PolarHBondContact OD2-ND2 3.25Å; S194-N196 VanDerWaalsContact C-N 3.32Å; S194-N196 PolarHBondContact O-N 2.74Å; N196-P198 WeakPolarHBondContact O-CD 3.29Å
197N84.1Confident79.3Confident83 Ų8346.2 Ų46.244%0.44426%0.255SS..  trans-11680.3-176.1-57.8-60.1000111.8D193 S194 N199 D200D193-N197 WeakPolarHBondContact O-CB 3.15Å; D193-N197 PolarHBondContact O-N 2.66Å; D193-N197 PolarHBondContact O-ND2 2.97Å; D193-N197 PolarHBondContact OD2-ND2 3.29Å; D193-N197 VanDerWaalsContact OD2-ND2 3.1Å; S194-N197 CarbonylContact O-C 3.2Å; S194-N197 PolarHBondContact O-N 3.16Å; N197-N199 PolarHBondContact O-N 2.99Å; N197-N199 VanDerWaalsContact O-N 3.09Å; N197-D200 VanDerWaalsContact O-CB 3.27Å; N197-D200 WeakPolarHBondContact O-CB 3.13Å; N197-D200 PolarHBondContact O-N 3.11Å
198P68.1Low79.2Confident72 Ų7251.4 Ų51.447%0.46828%0.278SS..THydrogen-bonded Turntrans-64.6-17.9-178.524.5-34000114.1N196 D200 H203N196-P198 WeakPolarHBondContact O-CD 3.29Å; P198-D200 VanDerWaalsContact C-N 3.28Å; P198-H203 PolarHBondContact O-ND1 3.11Å
199N69.3Low79Confident151 Ų15151.4 Ų51.481%0.80728%0.278SS*.THydrogen-bonded Turntrans-89.111.4175.2-65.9-29.5000113.2N197N197-N199 PolarHBondContact O-N 2.99Å; N197-N199 VanDerWaalsContact O-N 3.09Å
200D74.2Confident78.8Confident40 Ų4051.3 Ų51.321%0.21427%0.274CS..  trans-54.1132.6177.3-177.2-89.6000110.9N197 P198 V202 H203 A204N197-D200 VanDerWaalsContact O-CB 3.27Å; N197-D200 WeakPolarHBondContact O-CB 3.13Å; N197-D200 PolarHBondContact O-N 3.11Å; P198-D200 VanDerWaalsContact C-N 3.28Å; D200-V202 PolarHBondContact O-N 3.2Å; D200-V202 WeakPolarHBondContact OD1-CA 3.39Å; D200-V202 WeakPolarHBondContact OD1-CB 3.35Å; D200-V202 WeakPolarHBondContact OD1-CG2 3.24Å; D200-V202 PolarHBondContact OD1-N 3.16Å; D200-H203 HydrophobicContact CB-CB 4.39Å; D200-H203 PolarHBondContact O-N 3.19Å; D200-H203 VanDerWaalsContact O-N 3.14Å; D200-A204 PolarHBondContact O-N 3.45Å
201P77Confident78.6Confident80 Ų8055.8 Ų55.852%0.51930%0.297SS..Hα-helixtrans-54.4-35-179.3-27.935.3000113.5A204 Q205 F245P201-A204 PolarHBondContact O-N 3.31Å; P201-Q205 WeakPolarHBondContact O-CB 3.21Å; P201-Q205 WeakPolarHBondContact O-CG 3.14Å; P201-Q205 PolarHBondContact O-N 2.78Å; P201-F245 HydrophobicContact CB-CZ 4.43Å
202V77.8Confident78.4Confident22 Ų2252.4 Ų52.413%0.13328%0.281CS..Hα-helixtrans-69-44.6179.8-173.90000110.6M192 D200 A204 Q205 M206 F245 F246 I249M192-V202 HydrophobicContact CE-CB 3.36Å; M192-V202 HydrophobicContact CE-CG1 3.44Å; M192-V202 VanDerWaalsContact CE-CG1 3.44Å; M192-V202 HydrophobicContact CE-CG2 3.74Å; M192-V202 HydrophobicContact SD-CG1 4.19Å; D200-V202 PolarHBondContact O-N 3.2Å; D200-V202 WeakPolarHBondContact OD1-CA 3.39Å; D200-V202 WeakPolarHBondContact OD1-CB 3.35Å; D200-V202 WeakPolarHBondContact OD1-CG2 3.24Å; D200-V202 PolarHBondContact OD1-N 3.16Å; V202-A204 PolarHBondContact O-N 2.92Å; V202-Q205 PolarHBondContact O-N 2.52Å; V202-M206 VanDerWaalsContact O-CB 3.31Å; V202-M206 WeakPolarHBondContact O-CB 3.48Å; V202-M206 PolarHBondContact O-N 3.3Å; V202-F245 HydrophobicContact CB-CE1 4.47Å; V202-F245 HydrophobicContact CG2-CE1 4.11Å; V202-F245 HydrophobicContact CG2-CZ 4.07Å; V202-F246 HydrophobicContact CG1-CE1 3.46Å; V202-F246 VanDerWaalsContact CG1-CE1 3.46Å; V202-F246 HydrophobicContact CG1-CZ 3.68Å; V202-I249 HydrophobicContact CG2-CD1 4.39Å
203H76.7Confident78.1Confident16 Ų1658 Ų587%0.07430%0.301CS..Hα-helixtrans-61.1-44.1174.4176.7-119.9000111.3L180 P198 D200 Q205 M206 Q207 Y309L180-H203 HydrophobicContact CD2-CB 3.99Å; P198-H203 PolarHBondContact O-ND1 3.11Å; D200-H203 HydrophobicContact CB-CB 4.39Å; D200-H203 PolarHBondContact O-N 3.19Å; D200-H203 VanDerWaalsContact O-N 3.14Å; H203-Q205 PolarHBondContact O-N 3.21Å; H203-M206 PolarHBondContact O-N 3.21Å; H203-Q207 PolarHBondContact CE1-NE2 3.04Å; H203-Q207 PolarHBondContact NE2-NE2 3.1Å; H203-Q207 VanDerWaalsContact NE2-NE2 3.14Å; H203-Q207 WeakPolarHBondContact O-CG 3.47Å; H203-Q207 PolarHBondContact O-N 2.86Å; H203-Y309 PolarHBondContact CD2-OH 3.06Å; H203-Y309 PolarHBondContact NE2-OH 3.15Å; H203-Y309 VanDerWaalsContact NE2-OH 3.15Å
204A79.6Confident77.4Confident39 Ų3958.8 Ų58.832%0.32230%0.302SS..Hα-helixtrans-64.2-40.2177.500000113D200 P201 V202 K208D200-A204 PolarHBondContact O-N 3.45Å; P201-A204 PolarHBondContact O-N 3.31Å; V202-A204 PolarHBondContact O-N 2.92Å; A204-K208 WeakPolarHBondContact O-CG 3.41Å; A204-K208 PolarHBondContact O-N 3.47Å
205Q81.8Confident76.9Confident41 Ų4165.1 Ų65.119%0.19233%0.326CS..Hα-helixtrans-69.9-37.7175.6-67.9-65.1-11.300111.6P201 V202 H203 K208 I209 S242 F245 F246P201-Q205 WeakPolarHBondContact O-CB 3.21Å; P201-Q205 WeakPolarHBondContact O-CG 3.14Å; P201-Q205 PolarHBondContact O-N 2.78Å; V202-Q205 PolarHBondContact O-N 2.52Å; H203-Q205 PolarHBondContact O-N 3.21Å; Q205-K208 WeakPolarHBondContact O-CB 3.48Å; Q205-K208 PolarHBondContact O-N 2.73Å; Q205-K208 VanDerWaalsContact O-N 3.17Å; Q205-I209 PolarHBondContact O-N 3.28Å; Q205-I209 VanDerWaalsContact O-N 3.09Å; Q205-S242 PolarHBondContact OE1-OG 3.27Å; Q205-F245 HydrophobicContact CB-CD1 3.97Å; Q205-F245 HydrophobicContact CB-CE1 4.07Å; Q205-F245 HydrophobicContact CG-CD1 3.87Å; Q205-F245 HydrophobicContact CG-CE1 3.93Å; Q205-F245 HydrophobicContact CG-CG 4.22Å; Q205-F245 HydrophobicContact CG-CZ 4.34Å; Q205-F246 HydrophobicContact CB-CE2 3.85Å; Q205-F246 HydrophobicContact CB-CZ 4.36Å
206M78.8Confident76.4Confident1 Ų164.6 Ų64.61%0.00532%0.323CS..Hα-helixtrans-60.1-47174.3-175.954.756.700110.7V202 H203 K208 I209 M210 F246 I305 Y309V202-M206 VanDerWaalsContact O-CB 3.31Å; V202-M206 WeakPolarHBondContact O-CB 3.48Å; V202-M206 PolarHBondContact O-N 3.3Å; H203-M206 PolarHBondContact O-N 3.21Å; M206-K208 PolarHBondContact O-N 2.87Å; M206-I209 PolarHBondContact O-N 3.14Å; M206-M210 HydrophobicContact CG-CG 4.44Å; M206-M210 VanDerWaalsContact O-CG 3.31Å; M206-M210 WeakPolarHBondContact O-CG 3.44Å; M206-M210 PolarHBondContact O-N 3.11Å; M206-M210 HydrophobicContact SD-CG 4.42Å; M206-M210 HydrophobicContact SD-SD 4.19Å; M206-F246 HydrophobicContact CB-CZ 4.06Å; M206-F246 HydrophobicContact CE-CD1 4.46Å; M206-F246 HydrophobicContact CE-CE1 3.7Å; M206-F246 HydrophobicContact CE-CE2 3.9Å; M206-F246 HydrophobicContact CE-CZ 3.41Å; M206-F246 VanDerWaalsContact CE-CZ 3.41Å; M206-I305 HydrophobicContact CE-CB 4.16Å; M206-I305 HydrophobicContact CE-CG2 3.27Å; M206-I305 HydrophobicContact SD-CG2 4.47Å; M206-Y309 HydrophobicContact CG-CD1 3.43Å; M206-Y309 VanDerWaalsContact CG-CD1 3.43Å; M206-Y309 HydrophobicContact CG-CE1 3.53Å; M206-Y309 HydrophobicContact CG-CG 4.14Å; M206-Y309 HydrophobicContact SD-CD1 4.14Å
207Q78.7Confident75.7Confident100 Ų10065.3 Ų65.347%0.46732%0.324SS..Hα-helixtrans-57.9-34.3176-71.9-164.60.800113.3H203 M210 N211H203-Q207 PolarHBondContact CE1-NE2 3.04Å; H203-Q207 PolarHBondContact NE2-NE2 3.1Å; H203-Q207 VanDerWaalsContact NE2-NE2 3.14Å; H203-Q207 WeakPolarHBondContact O-CG 3.47Å; H203-Q207 PolarHBondContact O-N 2.86Å; Q207-M210 PolarHBondContact O-N 3.07Å; Q207-N211 PolarHBondContact O-N 3.23Å
208K80.4Confident75.2Confident109 Ų10965.7 Ų65.747%0.47433%0.325SS..Hα-helixtrans-68.4-39.3174.6-69.2173.4-174.8172.70112.5A204 Q205 M206 M210 N211A204-K208 WeakPolarHBondContact O-CG 3.41Å; A204-K208 PolarHBondContact O-N 3.47Å; Q205-K208 WeakPolarHBondContact O-CB 3.48Å; Q205-K208 PolarHBondContact O-N 2.73Å; Q205-K208 VanDerWaalsContact O-N 3.17Å; M206-K208 PolarHBondContact O-N 2.87Å; K208-M210 VanDerWaalsContact C-N 3.32Å; K208-N211 PolarHBondContact O-N 3.26Å
209I76.9Confident75.7Confident3 Ų364.6 Ų64.62%0.01531%0.313CS..Hα-helixtrans-65.2-38.9174.8-67.1177.9000110.7Q205 M206 N211 M238 V243 F246Q205-I209 PolarHBondContact O-N 3.28Å; Q205-I209 VanDerWaalsContact O-N 3.09Å; M206-I209 PolarHBondContact O-N 3.14Å; I209-N211 VanDerWaalsContact C-N 3.27Å; I209-N211 PolarHBondContact O-N 3.29Å; I209-M238 HydrophobicContact CG2-CE 3.91Å; I209-M238 HydrophobicContact CG2-SD 4.11Å; I209-V243 HydrophobicContact CD1-CG2 4.5Å; I209-F246 HydrophobicContact CD1-CD2 3.38Å; I209-F246 HydrophobicContact CD1-CE2 3.53Å
210M74.9Confident76Confident30 Ų3058.8 Ų58.815%0.14828%0.283CS..Hα-helixtrans-66-27.6178.2-64.2-47.5-51.500113.4M206 Q207 K208 F212 F306 Y309 E310M206-M210 HydrophobicContact CG-CG 4.44Å; M206-M210 VanDerWaalsContact O-CG 3.31Å; M206-M210 WeakPolarHBondContact O-CG 3.44Å; M206-M210 PolarHBondContact O-N 3.11Å; M206-M210 HydrophobicContact SD-CG 4.42Å; M206-M210 HydrophobicContact SD-SD 4.19Å; Q207-M210 PolarHBondContact O-N 3.07Å; K208-M210 VanDerWaalsContact C-N 3.32Å; M210-F212 VanDerWaalsContact C-N 3.32Å; M210-F212 WeakPolarHBondContact O-CD2 3.31Å; M210-F212 PolarHBondContact O-N 3.32Å; M210-F306 HydrophobicContact CE-CD2 3.89Å; M210-F306 HydrophobicContact CE-CE2 3.16Å; M210-F306 HydrophobicContact CE-CZ 3.52Å; M210-F306 HydrophobicContact SD-CD2 3.27Å; M210-F306 WeakPolarHBondContact SD-CD2 3.26Å; M210-F306 HydrophobicContact SD-CE2 3.15Å; M210-F306 WeakPolarHBondContact SD-CE2 3.16Å; M210-F306 HydrophobicContact SD-CG 4.31Å; M210-F306 HydrophobicContact SD-CZ 4.09Å; M210-Y309 HydrophobicContact CG-CD1 4.47Å; M210-Y309 HydrophobicContact CG-CE1 4.21Å; M210-E310 HydrophobicContact CE-CB 3.47Å; M210-E310 VanDerWaalsContact CE-CB 3.47Å; M210-E310 HydrophobicContact CE-CG 3.3Å; M210-E310 HydrophobicContact SD-CB 4.03Å; M210-E310 HydrophobicContact SD-CG 4.46Å
211N73Confident75.7Confident121 Ų12158 Ų5865%0.64728%0.282SS*.SBendtrans-86.270.3178.9-166.211.5000111.9Q207 K208 I209 R213Q207-N211 PolarHBondContact O-N 3.23Å; K208-N211 PolarHBondContact O-N 3.26Å; I209-N211 VanDerWaalsContact C-N 3.27Å; I209-N211 PolarHBondContact O-N 3.29Å; N211-R213 PolarHBondContact O-N 3.1Å
212F70.9Confident75.3Confident50 Ų5057.4 Ų57.422%0.21927%0.274CS..  trans-54135.7179.2-70.8-78.6000113M210 F214 M238 F306M210-F212 VanDerWaalsContact C-N 3.32Å; M210-F212 WeakPolarHBondContact O-CD2 3.31Å; M210-F212 PolarHBondContact O-N 3.32Å; F212-F214 HydrophobicContact CB-CD2 4.36Å; F212-F214 HydrophobicContact CB-CE2 3.91Å; F212-F214 HydrophobicContact CB-CZ 4.23Å; F212-F214 WeakPolarHBondContact O-CD2 3.36Å; F212-F214 PolarHBondContact O-N 3.04Å; F212-M238 HydrophobicContact CD1-CE 4.46Å; F212-M238 HydrophobicContact CD1-CG 4.06Å; F212-M238 HydrophobicContact CE1-CE 3.25Å; F212-M238 HydrophobicContact CE1-CG 3.65Å; F212-M238 HydrophobicContact CE1-SD 4.25Å; F212-M238 HydrophobicContact CZ-CE 3.44Å; F212-M238 VanDerWaalsContact CZ-CE 3.44Å; F212-F306 AromaticContact CE2-CE2 3.94Å; F212-F306 HydrophobicContact CE2-CE2 3.94Å; F212-F306 HydrophobicContact CE2-CZ 4.12Å; F212-F306 AromaticContact CZ-CE2 4Å; F212-F306 HydrophobicContact CZ-CE2 4Å; F212-F306 HydrophobicContact CZ-CZ 4.32Å
213R71.9Confident75.1Confident141 Ų14161.1 Ų61.153%0.53229%0.288SS..  trans-76108.5169.5-70.5177.8163.3172.7-4.3108.8N211 P216 F237N211-R213 PolarHBondContact O-N 3.1Å; R213-P216 HydrophobicContact CB-CG 4.36Å; R213-P216 WeakPolarHBondContact O-CD 3.4Å; R213-F237 PolarHBondContact N-O 2.62Å
214F70.1Confident74.7Confident70 Ų7063 Ų6331%0.30730%0.302SS..  trans-84.3-22.6-179.1-75.9-85.8000114.3F212 P216 F217 I218 W481 K482F212-F214 HydrophobicContact CB-CD2 4.36Å; F212-F214 HydrophobicContact CB-CE2 3.91Å; F212-F214 HydrophobicContact CB-CZ 4.23Å; F212-F214 WeakPolarHBondContact O-CD2 3.36Å; F212-F214 PolarHBondContact O-N 3.04Å; F214-P216 VanDerWaalsContact C-N 3.33Å; F214-F217 HydrophobicContact CD1-CD2 4.31Å; F214-F217 WeakPolarHBondContact O-CB 3.38Å; F214-F217 PolarHBondContact O-N 3.07Å; F214-I218 PolarHBondContact O-N 2.75Å; F214-W481 HydrophobicContact CD1-CH2 4.04Å; F214-W481 HydrophobicContact CE1-CH2 4.49Å; F214-W481 HydrophobicContact CG-CH2 4.24Å; F214-K482 HydrophobicContact CD2-CD 4.38Å; F214-K482 HydrophobicContact CE2-CD 3.82Å; F214-K482 HydrophobicContact CZ-CD 4.01Å
215W77.3Confident74.4Confident133 Ų13368 Ų6850%0.50432%0.317SS..Hα-helixtrans-56.9-34.3-17984.9-94.7000114.6F217 I218 F219 L230 V235W215-F217 VanDerWaalsContact C-N 3.3Å; W215-F217 PolarHBondContact O-N 3.31Å; W215-I218 PolarHBondContact O-N 2.61Å; W215-F219 HydrophobicContact CE3-CB 4.08Å; W215-F219 HydrophobicContact CZ3-CB 4.04Å; W215-F219 HydrophobicContact CZ3-CD2 4.1Å; W215-F219 HydrophobicContact CZ3-CG 4.05Å; W215-F219 WeakPolarHBondContact O-CB 3.45Å; W215-F219 PolarHBondContact O-N 3.41Å; W215-L230 HydrophobicContact CH2-CD2 4.06Å; W215-L230 HydrophobicContact CZ3-CD2 4.46Å; W215-V235 HydrophobicContact CH2-CG1 4.38Å; W215-V235 HydrophobicContact CZ2-CG1 3.8Å
216P76.1Confident74.2Confident0 Ų066.1 Ų66.10%031%0.307CS..Hα-helixtrans-66.9-30.5176.8-16.532.4000112.3R213 F214 F219 V220 L230 V235 F237R213-P216 HydrophobicContact CB-CG 4.36Å; R213-P216 WeakPolarHBondContact O-CD 3.4Å; F214-P216 VanDerWaalsContact C-N 3.33Å; P216-F219 PolarHBondContact O-N 2.95Å; P216-V220 WeakPolarHBondContact O-CG2 3.1Å; P216-V220 PolarHBondContact O-N 3.41Å; P216-L230 HydrophobicContact CB-CD1 3.69Å; P216-L230 HydrophobicContact CB-CD2 4.21Å; P216-V235 HydrophobicContact CG-CG1 4.21Å; P216-F237 HydrophobicContact CB-CD1 4.09Å; P216-F237 HydrophobicContact CB-CE1 3.76Å; P216-F237 HydrophobicContact CG-CD1 4.33Å; P216-F237 HydrophobicContact CG-CE1 4.48Å
217F72.6Confident74Confident69 Ų6974.1 Ų74.130%0.30334%0.338SS..Hα-helixtrans-63.4-45.9172.4-73.3-78.7000111.2I107 F214 W215 F219 V220 A221 F237I107-F217 HydrophobicContact CG2-CE1 3.76Å; I107-F217 HydrophobicContact CG2-CZ 3.45Å; I107-F217 VanDerWaalsContact CG2-CZ 3.45Å; I107-F217 VanDerWaalsContact O-CE1 3.23Å; I107-F217 WeakPolarHBondContact O-CE1 3.47Å; F214-F217 HydrophobicContact CD1-CD2 4.31Å; F214-F217 WeakPolarHBondContact O-CB 3.38Å; F214-F217 PolarHBondContact O-N 3.07Å; W215-F217 VanDerWaalsContact C-N 3.3Å; W215-F217 PolarHBondContact O-N 3.31Å; F217-F219 VanDerWaalsContact C-N 3.31Å; F217-F219 PolarHBondContact O-N 3.48Å; F217-V220 PolarHBondContact O-N 3.2Å; F217-A221 WeakPolarHBondContact O-CB 3.31Å; F217-A221 PolarHBondContact O-N 2.9Å; F217-F237 AromaticContact CD1-CE1 3.84Å; F217-F237 HydrophobicContact CD1-CE1 3.84Å; F217-F237 HydrophobicContact CD1-CZ 4.22Å; F217-F237 AromaticContact CD2-CD1 3.67Å; F217-F237 HydrophobicContact CD2-CD1 3.67Å; F217-F237 AromaticContact CD2-CE1 3.47Å; F217-F237 HydrophobicContact CD2-CE1 3.47Å; F217-F237 VanDerWaalsContact CD2-CE1 3.47Å; F217-F237 HydrophobicContact CE1-CD1 4.32Å; F217-F237 AromaticContact CE1-CE1 3.71Å; F217-F237 HydrophobicContact CE1-CE1 3.71Å; F217-F237 AromaticContact CE1-CZ 3.92Å; F217-F237 HydrophobicContact CE1-CZ 3.92Å; F217-F237 AromaticContact CE2-CD1 3.22Å; F217-F237 HydrophobicContact CE2-CD1 3.22Å; F217-F237 AromaticContact CE2-CE1 3.34Å; F217-F237 HydrophobicContact CE2-CE1 3.34Å; F217-F237 HydrophobicContact CE2-CG 4.08Å; F217-F237 HydrophobicContact CE2-CZ 4.28Å; F217-F237 HydrophobicContact CG-CD1 4.38Å; F217-F237 AromaticContact CG-CE1 3.71Å; F217-F237 HydrophobicContact CG-CE1 3.71Å; F217-F237 HydrophobicContact CG-CZ 4.5Å; F217-F237 AromaticContact CZ-CD1 3.57Å; F217-F237 HydrophobicContact CZ-CD1 3.57Å; F217-F237 AromaticContact CZ-CE1 3.44Å; F217-F237 HydrophobicContact CZ-CE1 3.44Å; F217-F237 VanDerWaalsContact CZ-CE1 3.44Å; F217-F237 HydrophobicContact CZ-CE2 4.48Å; F217-F237 HydrophobicContact CZ-CG 4.15Å; F217-F237 AromaticContact CZ-CZ 3.94Å; F217-F237 HydrophobicContact CZ-CZ 3.94Å
218I73.4Confident74Confident91 Ų9176 Ų7647%0.46735%0.346SS..Hα-helixtrans-62.9-42.8177.6-59.9173000109.7F214 W215 V220 A221 I222F214-I218 PolarHBondContact O-N 2.75Å; W215-I218 PolarHBondContact O-N 2.61Å; I218-V220 PolarHBondContact O-N 3.49Å; I218-A221 WeakPolarHBondContact O-CB 3.34Å; I218-A221 PolarHBondContact O-N 3.5Å; I218-I222 HydrophobicContact CG2-CD1 3.76Å; I218-I222 WeakPolarHBondContact O-CG1 3.48Å; I218-I222 PolarHBondContact O-N 3.34Å; I218-I222 VanDerWaalsContact O-N 3.07Å
219F77.9Confident74Confident49 Ų4974 Ų7422%0.21534%0.34CS..Hα-helixtrans-60.2-45.7177.4-172.9-99.5000112.3W215 P216 F217 A221 I222 F223 L229 L230W215-F219 HydrophobicContact CE3-CB 4.08Å; W215-F219 HydrophobicContact CZ3-CB 4.04Å; W215-F219 HydrophobicContact CZ3-CD2 4.1Å; W215-F219 HydrophobicContact CZ3-CG 4.05Å; W215-F219 WeakPolarHBondContact O-CB 3.45Å; W215-F219 PolarHBondContact O-N 3.41Å; P216-F219 PolarHBondContact O-N 2.95Å; F217-F219 VanDerWaalsContact C-N 3.31Å; F217-F219 PolarHBondContact O-N 3.48Å; F219-A221 VanDerWaalsContact C-N 3.33Å; F219-A221 PolarHBondContact O-N 3.42Å; F219-I222 PolarHBondContact O-N 3Å; F219-F223 HydrophobicContact CD1-CD2 4.42Å; F219-F223 AromaticContact CD2-CD2 3.4Å; F219-F223 HydrophobicContact CD2-CD2 3.4Å; F219-F223 AromaticContact CD2-CE2 3.56Å; F219-F223 HydrophobicContact CD2-CE2 3.56Å; F219-F223 HydrophobicContact CE1-CD2 4.41Å; F219-F223 AromaticContact CE2-CD2 3.36Å; F219-F223 HydrophobicContact CE2-CD2 3.36Å; F219-F223 AromaticContact CE2-CE2 3.49Å; F219-F223 HydrophobicContact CE2-CE2 3.49Å; F219-F223 VanDerWaalsContact CE2-CE2 3.49Å; F219-F223 HydrophobicContact CE2-CG 4.17Å; F219-F223 HydrophobicContact CE2-CZ 4.37Å; F219-F223 AromaticContact CG-CD2 3.95Å; F219-F223 HydrophobicContact CG-CD2 3.95Å; F219-F223 HydrophobicContact CG-CE2 4.49Å; F219-F223 AromaticContact CZ-CD2 3.9Å; F219-F223 HydrophobicContact CZ-CD2 3.9Å; F219-F223 HydrophobicContact CZ-CE2 4.39Å; F219-F223 HydrophobicContact CZ-CG 4.31Å; F219-F223 WeakPolarHBondContact O-CD2 3.39Å; F219-F223 PolarHBondContact O-N 3.2Å; F219-L229 HydrophobicContact CE1-CB 4.19Å; F219-L229 HydrophobicContact CE1-CD1 4.24Å; F219-L229 HydrophobicContact CZ-CD1 4.05Å; F219-L230 HydrophobicContact CD1-CD1 4.21Å; F219-L230 HydrophobicContact CD1-CD2 3.96Å; F219-L230 HydrophobicContact CD1-CG 3.9Å; F219-L230 HydrophobicContact CE1-CD2 4.33Å; F219-L230 HydrophobicContact CE1-CG 4.27Å
220V75.3Confident74.2Confident29 Ų2974.5 Ų74.518%0.17634%0.343CS..Hα-helixtrans-65.9-34.4175.9167.60000112.5P216 F217 I218 I222 R227 L230P216-V220 WeakPolarHBondContact O-CG2 3.1Å; P216-V220 PolarHBondContact O-N 3.41Å; F217-V220 PolarHBondContact O-N 3.2Å; I218-V220 PolarHBondContact O-N 3.49Å; V220-I222 VanDerWaalsContact C-N 3.35Å; V220-R227 HydrophobicContact CB-CG 4.31Å; V220-R227 HydrophobicContact CG1-CG 3.52Å; V220-R227 HydrophobicContact CG2-CG 3.78Å; V220-L230 HydrophobicContact CG2-CD1 3.43Å; V220-L230 VanDerWaalsContact CG2-CD1 3.43Å
221A67.7Low74.3Confident24 Ų2480.3 Ų80.320%0.19837%0.367CS..Hα-helixtrans-65.5-40.2177.100000111.6K77 F217 I218 F219K77-A221 WeakPolarHBondContact CE-O 3.04Å; F217-A221 WeakPolarHBondContact O-CB 3.31Å; F217-A221 PolarHBondContact O-N 2.9Å; I218-A221 WeakPolarHBondContact O-CB 3.34Å; I218-A221 PolarHBondContact O-N 3.5Å; F219-A221 VanDerWaalsContact C-N 3.33Å; F219-A221 PolarHBondContact O-N 3.42Å
222I69.3Low74.7Confident68 Ų6880.7 Ų80.735%0.34937%0.369SS..Hα-helixtrans-81.4-48-176.5-63.3170000111.6I218 F219 V220I218-I222 HydrophobicContact CG2-CD1 3.76Å; I218-I222 WeakPolarHBondContact O-CG1 3.48Å; I218-I222 PolarHBondContact O-N 3.34Å; I218-I222 VanDerWaalsContact O-N 3.07Å; F219-I222 PolarHBondContact O-N 3Å; V220-I222 VanDerWaalsContact C-N 3.35Å
223F72.9Confident75.2Confident100 Ų10085.3 Ų85.344%0.43939%0.389SS..  trans-97.8123.5-170-65.2-78.6000112.7F219 F225 G226F219-F223 HydrophobicContact CD1-CD2 4.42Å; F219-F223 AromaticContact CD2-CD2 3.4Å; F219-F223 HydrophobicContact CD2-CD2 3.4Å; F219-F223 AromaticContact CD2-CE2 3.56Å; F219-F223 HydrophobicContact CD2-CE2 3.56Å; F219-F223 HydrophobicContact CE1-CD2 4.41Å; F219-F223 AromaticContact CE2-CD2 3.36Å; F219-F223 HydrophobicContact CE2-CD2 3.36Å; F219-F223 AromaticContact CE2-CE2 3.49Å; F219-F223 HydrophobicContact CE2-CE2 3.49Å; F219-F223 VanDerWaalsContact CE2-CE2 3.49Å; F219-F223 HydrophobicContact CE2-CG 4.17Å; F219-F223 HydrophobicContact CE2-CZ 4.37Å; F219-F223 AromaticContact CG-CD2 3.95Å; F219-F223 HydrophobicContact CG-CD2 3.95Å; F219-F223 HydrophobicContact CG-CE2 4.49Å; F219-F223 AromaticContact CZ-CD2 3.9Å; F219-F223 HydrophobicContact CZ-CD2 3.9Å; F219-F223 HydrophobicContact CZ-CE2 4.39Å; F219-F223 HydrophobicContact CZ-CG 4.31Å; F219-F223 WeakPolarHBondContact O-CD2 3.39Å; F219-F223 PolarHBondContact O-N 3.2Å; F223-F225 VanDerWaalsContact C-N 3.28Å; F223-F225 PolarHBondContact O-N 2.68Å; F223-G226 WeakPolarHBondContact O-CA 3.26Å; F223-G226 PolarHBondContact O-N 3.05Å
224P68.4Low75.4Confident55 Ų5587.1 Ų87.136%0.35740%0.401SS..THydrogen-bonded Turntrans-56-37.9178.5-1.5-0.2000115Y24 G226Y24-P224 HydrophobicContact CD1-CG 4.06Å; Y24-P224 HydrophobicContact CD2-CB 4.49Å; Y24-P224 HydrophobicContact CD2-CG 4.4Å; Y24-P224 HydrophobicContact CE1-CB 4.02Å; Y24-P224 HydrophobicContact CE1-CG 3.57Å; Y24-P224 HydrophobicContact CE2-CB 3.68Å; Y24-P224 HydrophobicContact CE2-CG 3.96Å; Y24-P224 HydrophobicContact CG-CG 4.44Å; Y24-P224 VanDerWaalsContact CZ-CB 3.4Å; Y24-P224 WeakPolarHBondContact OH-CA 3.4Å; Y24-P224 VanDerWaalsContact OH-CB 3.28Å; Y24-P224 WeakPolarHBondContact OH-CB 3.44Å; P224-G226 VanDerWaalsContact C-N 3.32Å
225F74.9Confident75.5Confident145 Ų14585.9 Ų85.964%0.63640%0.399SS*.THydrogen-bonded Turntrans-94.68.6177.4-53.7-78.2000112.2F223 R227 H228 L229F223-F225 VanDerWaalsContact C-N 3.28Å; F223-F225 PolarHBondContact O-N 2.68Å; F225-R227 VanDerWaalsContact C-N 3.29Å; F225-R227 PolarHBondContact O-N 3.03Å; F225-H228 WeakPolarHBondContact O-CB 3.43Å; F225-H228 PolarHBondContact O-N 3.28Å; F225-L229 WeakPolarHBondContact O-CG 3.2Å; F225-L229 PolarHBondContact O-N 3.37Å
226G76.9Confident75.2Confident0 Ų082.3 Ų82.30%039%0.388CS..Hα-helixtrans-56.5-41.2-173.400000112.8F223 P224 L229 L230F223-G226 WeakPolarHBondContact O-CA 3.26Å; F223-G226 PolarHBondContact O-N 3.05Å; P224-G226 VanDerWaalsContact C-N 3.32Å; G226-L229 PolarHBondContact O-N 3.41Å; G226-L230 VanDerWaalsContact O-CG 3.28Å; G226-L230 WeakPolarHBondContact O-CG 3.45Å; G226-L230 PolarHBondContact O-N 3.38Å
227R74.9Confident74.9Confident169 Ų16983.9 Ų83.964%0.63840%0.395SS*.Hα-helixtrans-61.8-45.3175.4-68.1-172.2178.2177.1-2.5112.5V220 F225 L229 L230 K231V220-R227 HydrophobicContact CB-CG 4.31Å; V220-R227 HydrophobicContact CG1-CG 3.52Å; V220-R227 HydrophobicContact CG2-CG 3.78Å; F225-R227 VanDerWaalsContact C-N 3.29Å; F225-R227 PolarHBondContact O-N 3.03Å; R227-L229 VanDerWaalsContact C-N 3.33Å; R227-L230 PolarHBondContact O-N 3.34Å; R227-K231 WeakPolarHBondContact O-CB 3.36Å; R227-K231 PolarHBondContact O-N 3.33Å
228H78Confident75Confident141 Ų14181.5 Ų81.565%0.65339%0.385SS*.Hα-helixtrans-64.4-41178.9-68.986.2000110.9F225 K231 L232F225-H228 WeakPolarHBondContact O-CB 3.43Å; F225-H228 PolarHBondContact O-N 3.28Å; H228-K231 PolarHBondContact O-N 3.23Å; H228-L232 WeakPolarHBondContact O-CB 3.47Å; H228-L232 PolarHBondContact O-N 3.07Å
229L81.3Confident75.1Confident65 Ų6578.6 Ų78.634%0.3437%0.372SS..Hα-helixtrans-64.8-48.2176.3-68174.4000111.9F219 F225 G226 R227 K231 L232 F233F219-L229 HydrophobicContact CE1-CB 4.19Å; F219-L229 HydrophobicContact CE1-CD1 4.24Å; F219-L229 HydrophobicContact CZ-CD1 4.05Å; F225-L229 WeakPolarHBondContact O-CG 3.2Å; F225-L229 PolarHBondContact O-N 3.37Å; G226-L229 PolarHBondContact O-N 3.41Å; R227-L229 VanDerWaalsContact C-N 3.33Å; L229-K231 VanDerWaalsContact C-N 3.27Å; L229-K231 PolarHBondContact O-N 3.37Å; L229-L232 WeakPolarHBondContact O-CB 3.23Å; L229-L232 PolarHBondContact O-N 3.22Å; L229-F233 HydrophobicContact CB-CD2 4.47Å; L229-F233 HydrophobicContact CD2-CE2 4.29Å; L229-F233 WeakPolarHBondContact O-CD2 3.47Å; L229-F233 PolarHBondContact O-N 2.88Å
230L80.9Confident75.1Confident14 Ų1481.8 Ų81.87%0.07339%0.386CS..Hα-helixtrans-60.5-39.7177.4-68.2177000111.6W215 P216 F219 V220 G226 R227 F233 K234 V235W215-L230 HydrophobicContact CH2-CD2 4.06Å; W215-L230 HydrophobicContact CZ3-CD2 4.46Å; P216-L230 HydrophobicContact CB-CD1 3.69Å; P216-L230 HydrophobicContact CB-CD2 4.21Å; F219-L230 HydrophobicContact CD1-CD1 4.21Å; F219-L230 HydrophobicContact CD1-CD2 3.96Å; F219-L230 HydrophobicContact CD1-CG 3.9Å; F219-L230 HydrophobicContact CE1-CD2 4.33Å; F219-L230 HydrophobicContact CE1-CG 4.27Å; V220-L230 HydrophobicContact CG2-CD1 3.43Å; V220-L230 VanDerWaalsContact CG2-CD1 3.43Å; G226-L230 VanDerWaalsContact O-CG 3.28Å; G226-L230 WeakPolarHBondContact O-CG 3.45Å; G226-L230 PolarHBondContact O-N 3.38Å; R227-L230 PolarHBondContact O-N 3.34Å; L230-F233 CarbonylContact O-C 3.48Å; L230-F233 PolarHBondContact O-N 3.44Å; L230-K234 PolarHBondContact O-N 3.2Å; L230-V235 HydrophobicContact CB-CB 4.38Å; L230-V235 HydrophobicContact CD2-CB 3.72Å; L230-V235 HydrophobicContact CD2-CG1 3.78Å; L230-V235 HydrophobicContact CD2-CG2 4.2Å; L230-V235 PolarHBondContact O-N 3.05Å
231K77.4Confident75.4Confident152 Ų15284.4 Ų84.466%0.66141%0.405SS*.Hα-helixtrans-64.3-43.7174.7-170.2169.9-176.1165.20111.8R227 H228 L229 F233 K234R227-K231 WeakPolarHBondContact O-CB 3.36Å; R227-K231 PolarHBondContact O-N 3.33Å; H228-K231 PolarHBondContact O-N 3.23Å; L229-K231 VanDerWaalsContact C-N 3.27Å; L229-K231 PolarHBondContact O-N 3.37Å; K231-F233 PolarHBondContact O-N 2.94Å; K231-K234 PolarHBondContact O-N 2.97Å
232L81.4Confident76.1Confident130 Ų13083.3 Ų83.368%0.68140%0.396SS*.Hα-helixtrans-60.9-44.3177-177.267000111.9H228 L229 K234H228-L232 WeakPolarHBondContact O-CB 3.47Å; H228-L232 PolarHBondContact O-N 3.07Å; L229-L232 WeakPolarHBondContact O-CB 3.23Å; L229-L232 PolarHBondContact O-N 3.22Å; L232-K234 VanDerWaalsContact C-N 3.27Å; L232-K234 PolarHBondContact O-N 3.38Å
233F80.3Confident76.6Confident147 Ų14780.1 Ų80.165%0.64538%0.38SS*.THydrogen-bonded Turntrans-83.93.9178.5-67.9-66.2000113.8L229 L230 K231 V235L229-F233 HydrophobicContact CB-CD2 4.47Å; L229-F233 HydrophobicContact CD2-CE2 4.29Å; L229-F233 WeakPolarHBondContact O-CD2 3.47Å; L229-F233 PolarHBondContact O-N 2.88Å; L230-F233 CarbonylContact O-C 3.48Å; L230-F233 PolarHBondContact O-N 3.44Å; K231-F233 PolarHBondContact O-N 2.94Å; F233-V235 HydrophobicContact CB-CG2 3.88Å; F233-V235 PolarHBondContact O-N 3.2Å
234K76.1Confident77.1Confident178 Ų17878.6 Ų78.677%0.77438%0.376SS*.THydrogen-bonded Turntrans50.839-177.9-56.9180179.6179.30112.9L230 K231 L232 E236L230-K234 PolarHBondContact O-N 3.2Å; K231-K234 PolarHBondContact O-N 2.97Å; L232-K234 VanDerWaalsContact C-N 3.27Å; L232-K234 PolarHBondContact O-N 3.38Å; K234-E236 PolarHBondContact O-N 2.99Å
235V72.9Confident77.8Confident45 Ų4578.8 Ų78.827%0.27337%0.371SS..  trans-83.6108.1177.3178.90000108.6W215 P216 L230 F233W215-V235 HydrophobicContact CH2-CG1 4.38Å; W215-V235 HydrophobicContact CZ2-CG1 3.8Å; P216-V235 HydrophobicContact CG-CG1 4.21Å; L230-V235 HydrophobicContact CB-CB 4.38Å; L230-V235 HydrophobicContact CD2-CB 3.72Å; L230-V235 HydrophobicContact CD2-CG1 3.78Å; L230-V235 HydrophobicContact CD2-CG2 4.2Å; L230-V235 PolarHBondContact O-N 3.05Å; F233-V235 HydrophobicContact CB-CG2 3.88Å; F233-V235 PolarHBondContact O-N 3.2Å
236E69.9Low78.2Confident58 Ų5872 Ų7227%0.27134%0.342SS..  trans-96.4153.4178.2-66.9175-158.400112.1K234 M238 K240K234-E236 PolarHBondContact O-N 2.99Å; E236-M238 WeakPolarHBondContact CB-O 3.24Å; E236-K240 WeakPolarHBondContact OE2-CB 3.16Å
237F70.6Confident78.5Confident32 Ų3273.2 Ų73.214%0.1435%0.347CS..SBendtrans-72-34.7177.5-65-76.2000112.8I108 R213 P216 F217I108-F237 HydrophobicContact CG2-CD2 4.39Å; R213-F237 PolarHBondContact N-O 2.62Å; P216-F237 HydrophobicContact CB-CD1 4.09Å; P216-F237 HydrophobicContact CB-CE1 3.76Å; P216-F237 HydrophobicContact CG-CD1 4.33Å; P216-F237 HydrophobicContact CG-CE1 4.48Å; F217-F237 AromaticContact CD1-CE1 3.84Å; F217-F237 HydrophobicContact CD1-CE1 3.84Å; F217-F237 HydrophobicContact CD1-CZ 4.22Å; F217-F237 AromaticContact CD2-CD1 3.67Å; F217-F237 HydrophobicContact CD2-CD1 3.67Å; F217-F237 AromaticContact CD2-CE1 3.47Å; F217-F237 HydrophobicContact CD2-CE1 3.47Å; F217-F237 VanDerWaalsContact CD2-CE1 3.47Å; F217-F237 HydrophobicContact CE1-CD1 4.32Å; F217-F237 AromaticContact CE1-CE1 3.71Å; F217-F237 HydrophobicContact CE1-CE1 3.71Å; F217-F237 AromaticContact CE1-CZ 3.92Å; F217-F237 HydrophobicContact CE1-CZ 3.92Å; F217-F237 AromaticContact CE2-CD1 3.22Å; F217-F237 HydrophobicContact CE2-CD1 3.22Å; F217-F237 AromaticContact CE2-CE1 3.34Å; F217-F237 HydrophobicContact CE2-CE1 3.34Å; F217-F237 HydrophobicContact CE2-CG 4.08Å; F217-F237 HydrophobicContact CE2-CZ 4.28Å; F217-F237 HydrophobicContact CG-CD1 4.38Å; F217-F237 AromaticContact CG-CE1 3.71Å; F217-F237 HydrophobicContact CG-CE1 3.71Å; F217-F237 HydrophobicContact CG-CZ 4.5Å; F217-F237 AromaticContact CZ-CD1 3.57Å; F217-F237 HydrophobicContact CZ-CD1 3.57Å; F217-F237 AromaticContact CZ-CE1 3.44Å; F217-F237 HydrophobicContact CZ-CE1 3.44Å; F217-F237 VanDerWaalsContact CZ-CE1 3.44Å; F217-F237 HydrophobicContact CZ-CE2 4.48Å; F217-F237 HydrophobicContact CZ-CG 4.15Å; F217-F237 AromaticContact CZ-CZ 3.94Å; F217-F237 HydrophobicContact CZ-CZ 3.94Å
238M74.1Confident79Confident19 Ų1969.8 Ų69.89%0.09434%0.341CS..SBendtrans-102148.9173.7-68.4177.7166.100109.3M114 I209 F212 E236 K240 V243M114-M238 HydrophobicContact CG-CE 4.18Å; M114-M238 HydrophobicContact CG-SD 4.11Å; I209-M238 HydrophobicContact CG2-CE 3.91Å; I209-M238 HydrophobicContact CG2-SD 4.11Å; F212-M238 HydrophobicContact CD1-CE 4.46Å; F212-M238 HydrophobicContact CD1-CG 4.06Å; F212-M238 HydrophobicContact CE1-CE 3.25Å; F212-M238 HydrophobicContact CE1-CG 3.65Å; F212-M238 HydrophobicContact CE1-SD 4.25Å; F212-M238 HydrophobicContact CZ-CE 3.44Å; F212-M238 VanDerWaalsContact CZ-CE 3.44Å; E236-M238 WeakPolarHBondContact CB-O 3.24Å; M238-K240 PolarHBondContact O-N 3.22Å; M238-K240 VanDerWaalsContact O-N 3.13Å; M238-V243 HydrophobicContact CB-CG2 4Å; M238-V243 HydrophobicContact SD-CG2 4.18Å
239P76.1Confident79.3Confident31 Ų3164.8 Ų64.820%0.20132%0.319CS..  trans-66.4112.2172.9-16.430.4000110.3S241 S242 V243P239-S241 PolarHBondContact O-N 3.17Å; P239-S241 VanDerWaalsContact O-N 3.17Å; P239-S242 WeakPolarHBondContact O-CB 3.41Å; P239-S242 PolarHBondContact O-N 3.24Å; P239-V243 PolarHBondContact O-N 3.47Å
240K78.1Confident79.5Confident116 Ų11661.8 Ų61.850%0.50430%0.303SS..Hα-helixtrans-47.9-45.6179.7-173.5173178.4164.10113.3E236 M238 S242 V243 D244E236-K240 WeakPolarHBondContact OE2-CB 3.16Å; M238-K240 PolarHBondContact O-N 3.22Å; M238-K240 VanDerWaalsContact O-N 3.13Å; K240-S242 PolarHBondContact O-N 3.04Å; K240-V243 PolarHBondContact O-N 2.94Å; K240-D244 WeakPolarHBondContact CE-OD2 3.33Å; K240-D244 WeakPolarHBondContact CG-OD2 3.47Å; K240-D244 PolarHBondContact O-N 3.01Å
241S81.3Confident79.8Confident84 Ų8465.2 Ų65.259%0.58732%0.317SS*.Hα-helixtrans-56.6-34.7178.459.30000113.9P239 F245P239-S241 PolarHBondContact O-N 3.17Å; P239-S241 VanDerWaalsContact O-N 3.17Å; S241-F245 WeakPolarHBondContact O-CB 3.1Å; S241-F245 PolarHBondContact O-N 3.44Å
242S81.6Confident80.1Confident0 Ų064.3 Ų64.30%031%0.313CS..Hα-helixtrans-76.7-36.2178.1-60.50000110.6Q205 P239 K240 F245 F246Q205-S242 PolarHBondContact OE1-OG 3.27Å; P239-S242 WeakPolarHBondContact O-CB 3.41Å; P239-S242 PolarHBondContact O-N 3.24Å; K240-S242 PolarHBondContact O-N 3.04Å; S242-F245 WeakPolarHBondContact O-CB 3.14Å; S242-F246 VanDerWaalsContact O-CD2 3.25Å; S242-F246 WeakPolarHBondContact O-CD2 3.38Å; S242-F246 PolarHBondContact O-N 3.31Å
243V80.1Confident80.2Confident1 Ų160.1 Ų60.11%0.00629%0.29CS..Hα-helixtrans-70.2-45.5176.8-1740000111.5P113 I209 M238 P239 K240 F245 F246 Y247 L302P113-V243 HydrophobicContact CB-CB 4.47Å; P113-V243 HydrophobicContact CB-CG1 3.34Å; P113-V243 HydrophobicContact CG-CB 3.9Å; P113-V243 HydrophobicContact CG-CG1 3.23Å; P113-V243 HydrophobicContact CG-CG2 4Å; I209-V243 HydrophobicContact CD1-CG2 4.5Å; M238-V243 HydrophobicContact CB-CG2 4Å; M238-V243 HydrophobicContact SD-CG2 4.18Å; P239-V243 PolarHBondContact O-N 3.47Å; K240-V243 PolarHBondContact O-N 2.94Å; V243-F245 PolarHBondContact O-N 3.04Å; V243-F246 PolarHBondContact O-N 3.21Å; V243-Y247 HydrophobicContact CG1-CD1 3.76Å; V243-Y247 HydrophobicContact CG1-CE1 3.78Å; V243-Y247 WeakPolarHBondContact O-CD1 3.44Å; V243-Y247 PolarHBondContact O-N 3.35Å; V243-L302 HydrophobicContact CG1-CD2 3.76Å
244D83.4Confident80.3Confident69 Ų6953.4 Ų53.437%0.36926%0.26SS..Hα-helixtrans-55.8-41.4175.9-68.2-14000110.6K240 F246 Y247 D248K240-D244 WeakPolarHBondContact CE-OD2 3.33Å; K240-D244 WeakPolarHBondContact CG-OD2 3.47Å; K240-D244 PolarHBondContact O-N 3.01Å; D244-F246 PolarHBondContact O-N 3.17Å; D244-Y247 PolarHBondContact O-N 3.22Å; D244-D248 WeakPolarHBondContact O-CB 3.48Å; D244-D248 VanDerWaalsContact O-CG 3.27Å; D244-D248 PolarHBondContact O-N 3.36Å
245F84.3Confident80.6Confident58 Ų5848 Ų4825%0.25424%0.24SC..Hα-helixtrans-56.4-46.5174.3172-93.2000113P201 V202 Q205 S241 S242 V243 I249P201-F245 HydrophobicContact CB-CZ 4.43Å; V202-F245 HydrophobicContact CB-CE1 4.47Å; V202-F245 HydrophobicContact CG2-CE1 4.11Å; V202-F245 HydrophobicContact CG2-CZ 4.07Å; Q205-F245 HydrophobicContact CB-CD1 3.97Å; Q205-F245 HydrophobicContact CB-CE1 4.07Å; Q205-F245 HydrophobicContact CG-CD1 3.87Å; Q205-F245 HydrophobicContact CG-CE1 3.93Å; Q205-F245 HydrophobicContact CG-CG 4.22Å; Q205-F245 HydrophobicContact CG-CZ 4.34Å; S241-F245 WeakPolarHBondContact O-CB 3.1Å; S241-F245 PolarHBondContact O-N 3.44Å; S242-F245 WeakPolarHBondContact O-CB 3.14Å; V243-F245 PolarHBondContact O-N 3.04Å; F245-I249 HydrophobicContact CD1-CD1 3.85Å; F245-I249 HydrophobicContact CD2-CD1 4.22Å; F245-I249 HydrophobicContact CE1-CD1 3.31Å; F245-I249 HydrophobicContact CE2-CD1 3.73Å; F245-I249 HydrophobicContact CG-CD1 4.29Å; F245-I249 HydrophobicContact CZ-CD1 3.25Å; F245-I249 WeakPolarHBondContact O-CB 3.09Å; F245-I249 VanDerWaalsContact O-CG1 3.29Å; F245-I249 WeakPolarHBondContact O-CG1 3.42Å; F245-I249 PolarHBondContact O-N 3.09Å; F245-I249 VanDerWaalsContact O-N 3.12Å
246F82.8Confident80.9Confident3 Ų350.3 Ų50.31%0.01325%0.248CC..Hα-helixtrans-70.2-37.8177.3-80.3-79.7000112V202 Q205 M206 I209 S242 V243 D244 I249 I250 L302 I305V202-F246 HydrophobicContact CG1-CE1 3.46Å; V202-F246 VanDerWaalsContact CG1-CE1 3.46Å; V202-F246 HydrophobicContact CG1-CZ 3.68Å; Q205-F246 HydrophobicContact CB-CE2 3.85Å; Q205-F246 HydrophobicContact CB-CZ 4.36Å; M206-F246 HydrophobicContact CB-CZ 4.06Å; M206-F246 HydrophobicContact CE-CD1 4.46Å; M206-F246 HydrophobicContact CE-CE1 3.7Å; M206-F246 HydrophobicContact CE-CE2 3.9Å; M206-F246 HydrophobicContact CE-CZ 3.41Å; M206-F246 VanDerWaalsContact CE-CZ 3.41Å; I209-F246 HydrophobicContact CD1-CD2 3.38Å; I209-F246 HydrophobicContact CD1-CE2 3.53Å; S242-F246 VanDerWaalsContact O-CD2 3.25Å; S242-F246 WeakPolarHBondContact O-CD2 3.38Å; S242-F246 PolarHBondContact O-N 3.31Å; V243-F246 PolarHBondContact O-N 3.21Å; D244-F246 PolarHBondContact O-N 3.17Å; F246-I249 PolarHBondContact O-N 2.84Å; F246-I250 HydrophobicContact CB-CD1 4.39Å; F246-I250 WeakPolarHBondContact O-CB 3.48Å; F246-I250 WeakPolarHBondContact O-CD1 3.34Å; F246-I250 WeakPolarHBondContact O-CG1 3.46Å; F246-I250 PolarHBondContact O-N 3.37Å; F246-L302 HydrophobicContact CB-CD1 3.8Å; F246-L302 HydrophobicContact CD1-CD1 4.31Å; F246-L302 HydrophobicContact CD2-CD1 4.26Å; F246-L302 HydrophobicContact CG-CD1 3.87Å; F246-I305 HydrophobicContact CD1-CD1 4.05Å; F246-I305 HydrophobicContact CE1-CD1 4.32Å
247Y84.2Confident81.2Confident26 Ų2648.4 Ų48.410%0.10224%0.239CC..Hα-helixtrans-60.5-46.8176.2-92.350.5000111.4P113 V243 D244 I249 I250 K251 H295 L298 S299 L302P113-Y247 HydrophobicContact CB-CE1 3.86Å; P113-Y247 HydrophobicContact CB-CE2 4.38Å; P113-Y247 PolarHBondContact O-OH 2.94Å; V243-Y247 HydrophobicContact CG1-CD1 3.76Å; V243-Y247 HydrophobicContact CG1-CE1 3.78Å; V243-Y247 WeakPolarHBondContact O-CD1 3.44Å; V243-Y247 PolarHBondContact O-N 3.35Å; D244-Y247 PolarHBondContact O-N 3.22Å; Y247-I249 VanDerWaalsContact C-N 3.3Å; Y247-I249 PolarHBondContact O-N 3.25Å; Y247-I250 PolarHBondContact O-N 3Å; Y247-K251 WeakPolarHBondContact O-CB 3.39Å; Y247-K251 PolarHBondContact O-N 2.69Å; Y247-H295 AromaticContact CE2-CD2 3.86Å; Y247-H295 AromaticContact CE2-NE2 3.65Å; Y247-L298 HydrophobicContact CD2-CB 4.16Å; Y247-L298 HydrophobicContact CD2-CD1 3.76Å; Y247-L298 HydrophobicContact CE2-CB 3.89Å; Y247-L298 HydrophobicContact CE2-CD1 4.07Å; Y247-L298 HydrophobicContact CG-CD1 4.46Å; Y247-S299 PolarHBondContact OH-OG 2.96Å; Y247-L302 HydrophobicContact CD1-CD2 4.3Å; Y247-L302 HydrophobicContact CE1-CD2 3.85Å
248D85.4Confident81.3Confident97 Ų9751.7 Ų51.752%0.51926%0.256SS..Hα-helixtrans-61.9-39.8177.7-72.3-19.7000111.7D244 K252D244-D248 WeakPolarHBondContact O-CB 3.48Å; D244-D248 VanDerWaalsContact O-CG 3.27Å; D244-D248 PolarHBondContact O-N 3.36Å; D248-K252 VanDerWaalsContact O-CG 3.23Å; D248-K252 WeakPolarHBondContact O-CG 3.48Å; D248-K252 PolarHBondContact O-N 2.88Å
249I84.4Confident80.9Confident36 Ų3659.1 Ų59.119%0.18529%0.288CS..Hα-helixtrans-67-50.3177-76.3177.2000111.3V202 F245 F246 Y247 K251 K252 F253V202-I249 HydrophobicContact CG2-CD1 4.39Å; F245-I249 HydrophobicContact CD1-CD1 3.85Å; F245-I249 HydrophobicContact CD2-CD1 4.22Å; F245-I249 HydrophobicContact CE1-CD1 3.31Å; F245-I249 HydrophobicContact CE2-CD1 3.73Å; F245-I249 HydrophobicContact CG-CD1 4.29Å; F245-I249 HydrophobicContact CZ-CD1 3.25Å; F245-I249 WeakPolarHBondContact O-CB 3.09Å; F245-I249 VanDerWaalsContact O-CG1 3.29Å; F245-I249 WeakPolarHBondContact O-CG1 3.42Å; F245-I249 PolarHBondContact O-N 3.09Å; F245-I249 VanDerWaalsContact O-N 3.12Å; F246-I249 PolarHBondContact O-N 2.84Å; Y247-I249 VanDerWaalsContact C-N 3.3Å; Y247-I249 PolarHBondContact O-N 3.25Å; I249-K251 VanDerWaalsContact C-N 3.28Å; I249-K251 PolarHBondContact O-N 2.78Å; I249-K252 WeakPolarHBondContact O-CB 3.35Å; I249-K252 PolarHBondContact O-N 3.34Å; I249-F253 HydrophobicContact CG2-CD2 3.73Å; I249-F253 HydrophobicContact CG2-CE1 4.42Å; I249-F253 HydrophobicContact CG2-CE2 3.08Å; I249-F253 HydrophobicContact CG2-CZ 3.49Å; I249-F253 VanDerWaalsContact CG2-CZ 3.49Å; I249-F253 WeakPolarHBondContact O-CD2 3.32Å; I249-F253 WeakPolarHBondContact O-CG 3.36Å; I249-F253 PolarHBondContact O-N 3.25Å
250I84.9Confident80.4Confident1 Ų164.5 Ų64.51%0.00531%0.311CS..Hα-helixtrans-63.2-39.6-179.3-64.5159.6000109.9F246 Y247 F253 K254 L298 A301 L302 I305F246-I250 HydrophobicContact CB-CD1 4.39Å; F246-I250 WeakPolarHBondContact O-CB 3.48Å; F246-I250 WeakPolarHBondContact O-CD1 3.34Å; F246-I250 WeakPolarHBondContact O-CG1 3.46Å; F246-I250 PolarHBondContact O-N 3.37Å; Y247-I250 PolarHBondContact O-N 3Å; I250-F253 PolarHBondContact O-N 3.38Å; I250-K254 PolarHBondContact O-N 2.91Å; I250-L298 HydrophobicContact CB-CD2 3.96Å; I250-L298 HydrophobicContact CG2-CD2 3.45Å; I250-L298 VanDerWaalsContact CG2-CD2 3.45Å; I250-A301 HydrophobicContact CD1-CB 3.75Å; I250-A301 HydrophobicContact CG1-CB 4.17Å; I250-A301 HydrophobicContact CG2-CB 3.56Å; I250-L302 HydrophobicContact CD1-CB 4.21Å; I250-I305 HydrophobicContact CD1-CD1 4.42Å
251K86.1Confident79.4Confident86 Ų8665.1 Ų65.137%0.37432%0.32SS..Hα-helixtrans-61.9-44.8175.8-173.5168.3-174.7163.50111.7Y247 I249 F253 K254 D255 L298Y247-K251 WeakPolarHBondContact O-CB 3.39Å; Y247-K251 PolarHBondContact O-N 2.69Å; I249-K251 VanDerWaalsContact C-N 3.28Å; I249-K251 PolarHBondContact O-N 2.78Å; K251-F253 VanDerWaalsContact C-N 3.31Å; K251-F253 PolarHBondContact O-N 2.81Å; K251-K254 WeakPolarHBondContact O-CB 3.31Å; K251-K254 PolarHBondContact O-N 3.15Å; K251-D255 VanDerWaalsContact O-CG 3.3Å; K251-D255 PolarHBondContact O-N 3.42Å; K251-L298 HydrophobicContact CB-CD2 4.34Å
252K85.1Confident78.1Confident134 Ų13462.2 Ų62.258%0.58330%0.299SS*.Hα-helixtrans-58.1-43173.5-75169.9-176.9177.90112.1D248 I249 D255 Q256D248-K252 VanDerWaalsContact O-CG 3.23Å; D248-K252 WeakPolarHBondContact O-CG 3.48Å; D248-K252 PolarHBondContact O-N 2.88Å; I249-K252 WeakPolarHBondContact O-CB 3.35Å; I249-K252 PolarHBondContact O-N 3.34Å; K252-D255 PolarHBondContact O-N 3.14Å; K252-Q256 WeakPolarHBondContact O-CG 3.47Å; K252-Q256 PolarHBondContact O-N 2.84Å
253F82.7Confident76.7Confident42 Ų4269 Ų6918%0.18434%0.341CS..Hα-helixtrans-66.5-38.7178.2-62.1-31.2000112.7F188 V190 I249 I250 K251 Q256 H257 L268F188-F253 HydrophobicContact CB-CD2 4.18Å; V190-F253 HydrophobicContact CB-CE2 4.08Å; V190-F253 HydrophobicContact CB-CZ 4.04Å; V190-F253 HydrophobicContact CG1-CE1 4.22Å; V190-F253 HydrophobicContact CG1-CE2 4.01Å; V190-F253 HydrophobicContact CG1-CZ 3.58Å; V190-F253 HydrophobicContact CG2-CD1 3.65Å; V190-F253 HydrophobicContact CG2-CD2 3.52Å; V190-F253 HydrophobicContact CG2-CE1 3.5Å; V190-F253 VanDerWaalsContact CG2-CE1 3.5Å; V190-F253 HydrophobicContact CG2-CE2 3.32Å; V190-F253 HydrophobicContact CG2-CG 3.68Å; V190-F253 HydrophobicContact CG2-CZ 3.32Å; I249-F253 HydrophobicContact CG2-CD2 3.73Å; I249-F253 HydrophobicContact CG2-CE1 4.42Å; I249-F253 HydrophobicContact CG2-CE2 3.08Å; I249-F253 HydrophobicContact CG2-CZ 3.49Å; I249-F253 VanDerWaalsContact CG2-CZ 3.49Å; I249-F253 WeakPolarHBondContact O-CD2 3.32Å; I249-F253 WeakPolarHBondContact O-CG 3.36Å; I249-F253 PolarHBondContact O-N 3.25Å; I250-F253 PolarHBondContact O-N 3.38Å; K251-F253 VanDerWaalsContact C-N 3.31Å; K251-F253 PolarHBondContact O-N 2.81Å; F253-Q256 PolarHBondContact O-N 2.69Å; F253-H257 PolarHBondContact O-N 3.4Å; F253-H257 PolarHBondContact O-ND1 2.97Å; F253-L268 HydrophobicContact CB-CD2 4.25Å
254K82.6Confident75.5Confident5 Ų573.7 Ų73.72%0.02236%0.363CS..Hα-helixtrans-58.9-49.5171.9-179.9-173172.3-170.80111I250 K251 Q256 H257 I258 I272 E275 E294I250-K254 PolarHBondContact O-N 2.91Å; K251-K254 WeakPolarHBondContact O-CB 3.31Å; K251-K254 PolarHBondContact O-N 3.15Å; K254-Q256 VanDerWaalsContact C-N 3.27Å; K254-Q256 PolarHBondContact O-N 3.28Å; K254-H257 PolarHBondContact O-N 2.91Å; K254-I258 HydrophobicContact CG-CD1 4.2Å; K254-I258 WeakPolarHBondContact O-CG1 3.38Å; K254-I258 PolarHBondContact O-N 3.32Å; K254-I258 VanDerWaalsContact O-N 3.15Å; K254-I272 HydrophobicContact CB-CD1 4.42Å; K254-I272 HydrophobicContact CG-CD1 3.87Å; K254-I272 HydrophobicContact CG-CG1 4.05Å; K254-E275 WeakPolarHBondContact CE-OE2 3.25Å; K254-E275 VanDerWaalsContact NZ-CD 3.26Å; K254-E275 IonicContact NZ-OE1 2.69Å; K254-E275 PolarHBondContact NZ-OE1 2.92Å; K254-E275 IonicContact NZ-OE2 3.58Å; K254-E275 PolarHBondContact NZ-OE2 2.59Å; K254-E275 VanDerWaalsContact NZ-OE2 3.07Å; K254-E294 IonicContact NZ-OE1 2.83Å; K254-E294 PolarHBondContact NZ-OE1 3.38Å
255D83.1Confident74.5Confident66 Ų6671.6 Ų71.635%0.35336%0.358SS..Hα-helixtrans-64.2-32.1-178.6-68.1-18.2000112.6K251 K252 K259K251-D255 VanDerWaalsContact O-CG 3.3Å; K251-D255 PolarHBondContact O-N 3.42Å; K252-D255 PolarHBondContact O-N 3.14Å; D255-K259 WeakPolarHBondContact O-CG 3.44Å
256Q78.9Confident74.2Confident93 Ų9369.2 Ų69.244%0.43535%0.348SS..Hα-helixtrans-69.6-45.9173.4-75.4173.1-25.600111.7K252 F253 K254 I258 K259 E260K252-Q256 WeakPolarHBondContact O-CG 3.47Å; K252-Q256 PolarHBondContact O-N 2.84Å; F253-Q256 PolarHBondContact O-N 2.69Å; K254-Q256 VanDerWaalsContact C-N 3.27Å; K254-Q256 PolarHBondContact O-N 3.28Å; Q256-I258 VanDerWaalsContact C-N 3.28Å; Q256-I258 PolarHBondContact O-N 3Å; Q256-K259 PolarHBondContact O-N 3.18Å; Q256-E260 PolarHBondContact O-N 3.48Å
257H74.9Confident74.3Confident18 Ų1869.1 Ų69.18%0.08335%0.347CS..Hα-helixtrans-59.4-37.3179-85.771.7000113.2F188 F253 K254 K259 D266 I272F188-H257 PolarHBondContact O-CE1 2.87Å; F188-H257 VanDerWaalsContact O-CE1 3.26Å; F253-H257 PolarHBondContact O-N 3.4Å; F253-H257 PolarHBondContact O-ND1 2.97Å; K254-H257 PolarHBondContact O-N 2.91Å; H257-K259 VanDerWaalsContact C-N 3.3Å; H257-K259 PolarHBondContact O-N 3.02Å; H257-D266 IonicContact CE1-OD2 3.47Å; H257-D266 IonicContact NE2-OD2 2.67Å; H257-D266 PolarHBondContact NE2-OD2 3.32Å; H257-I272 HydrophobicContact CB-CD1 3.91Å
258I72.5Confident74.3Confident100 Ų10067.9 Ų67.951%0.51334%0.342SS..Hα-helixtrans-66.1-34.2176.7-67.2168.6000111.4K254 Q256 I272K254-I258 HydrophobicContact CG-CD1 4.2Å; K254-I258 WeakPolarHBondContact O-CG1 3.38Å; K254-I258 PolarHBondContact O-N 3.32Å; K254-I258 VanDerWaalsContact O-N 3.15Å; Q256-I258 VanDerWaalsContact C-N 3.28Å; Q256-I258 PolarHBondContact O-N 3Å; I258-I272 HydrophobicContact CG1-CG2 4.3Å
259K67.4Low74.2Confident176 Ų17664.1 Ų64.177%0.76532%0.322SS*.Hα-helixtrans-80.9-35.1-176.8-72.2173.7-176.3175.20113.4D255 Q256 H257D255-K259 WeakPolarHBondContact O-CG 3.44Å; Q256-K259 PolarHBondContact O-N 3.18Å; H257-K259 VanDerWaalsContact C-N 3.3Å; H257-K259 PolarHBondContact O-N 3.02Å
260E64.1Low74.3Confident143 Ų14363.6 Ų63.667%0.66832%0.32SS*.Hα-helixtrans-90.7-0.9-170.6-68.7176.2-177.600113.4Q256 S262Q256-E260 PolarHBondContact O-N 3.48Å; E260-S262 PolarHBondContact O-N 3.1Å; E260-S262 VanDerWaalsContact O-N 3.13Å
261D58.5Low74.5Confident130 Ų13063.6 Ų63.670%0.69532%0.32SS*.THydrogen-bonded Turntrans41.246.6-171.9-158.917.5000111.2T263D261-T263 PolarHBondContact O-N 2.93Å
262S53.7Low74.5Confident22 Ų2260.6 Ų60.615%0.15431%0.308CS..  trans-57.3118.2-171179.50000109.7E260 Q264E260-S262 PolarHBondContact O-N 3.1Å; E260-S262 VanDerWaalsContact O-N 3.13Å; S262-Q264 PolarHBondContact O-N 3.16Å; S262-Q264 WeakPolarHBondContact OG-CB 3.37Å; S262-Q264 PolarHBondContact OG-N 2.99Å
263T52Low74.6Confident143 Ų14362.9 Ų62.988%0.87731%0.313SS*.  trans-76.2-5.1175.750.90000112D261 G265D261-T263 PolarHBondContact O-N 2.93Å; T263-G265 PolarHBondContact O-N 2.83Å
264Q55.2Low75Confident99 Ų9962.7 Ų62.746%0.46332%0.316SS..  trans-76.4114.9-179.4-155.4165.22.800109.8S262 D266S262-Q264 PolarHBondContact O-N 3.16Å; S262-Q264 WeakPolarHBondContact OG-CB 3.37Å; S262-Q264 PolarHBondContact OG-N 2.99Å; Q264-D266 VanDerWaalsContact C-N 3.28Å; Q264-D266 PolarHBondContact O-N 2.76Å
265G62.6Low75.4Confident26 Ų2665.9 Ų65.927%0.26833%0.331SS..  trans-81.960.1-172.300000114.3T263T263-G265 PolarHBondContact O-N 2.83Å
266D77.1Confident75.8Confident7 Ų764 Ų644%0.03732%0.321CS..  trans-77178.7175.272.914.9000113.4F188 S189 H257 Q264 L268 Q269F188-D266 WeakPolarHBondContact CA-OD2 3.43Å; S189-D266 WeakPolarHBondContact CB-OD2 3.12Å; S189-D266 PolarHBondContact N-OD2 3.4Å; S189-D266 VanDerWaalsContact N-OD2 3.08Å; S189-D266 WeakPolarHBondContact OG-CB 3.34Å; S189-D266 VanDerWaalsContact OG-CG 3.31Å; S189-D266 PolarHBondContact OG-OD2 2.75Å; H257-D266 IonicContact CE1-OD2 3.47Å; H257-D266 IonicContact NE2-OD2 2.67Å; H257-D266 PolarHBondContact NE2-OD2 3.32Å; Q264-D266 VanDerWaalsContact C-N 3.28Å; Q264-D266 PolarHBondContact O-N 2.76Å; D266-L268 PolarHBondContact OD1-N 3.49Å; D266-L268 VanDerWaalsContact OD1-N 3.09Å; D266-Q269 VanDerWaalsContact OD1-CB 3.31Å; D266-Q269 WeakPolarHBondContact OD1-CB 3.13Å; D266-Q269 PolarHBondContact OD1-N 2.67Å
267F83.9Confident76.3Confident2 Ų263 Ų631%0.00932%0.323CS..Hα-helixtrans-71.1-32.9-179-56.9-18.9000112.9C136 F137 V145 A186 Q269 V270 M271 F304 Y449C136-F267 HydrophobicContact CB-CB 4.29Å; C136-F267 HydrophobicContact CB-CD1 3.58Å; C136-F267 HydrophobicContact CB-CE1 4.01Å; C136-F267 HydrophobicContact CB-CG 3.93Å; C136-F267 WeakPolarHBondContact O-CE1 3.36Å; F137-F267 HydrophobicContact CD1-CE2 4.29Å; F137-F267 HydrophobicContact CD1-CZ 4.04Å; F137-F267 HydrophobicContact CE1-CD2 4.27Å; F137-F267 AromaticContact CE1-CE2 3.52Å; F137-F267 HydrophobicContact CE1-CE2 3.52Å; F137-F267 AromaticContact CE1-CZ 3.74Å; F137-F267 HydrophobicContact CE1-CZ 3.74Å; F137-F267 HydrophobicContact CZ-CD2 4.23Å; F137-F267 AromaticContact CZ-CE2 3.94Å; F137-F267 HydrophobicContact CZ-CE2 3.94Å; F137-F267 HydrophobicContact CZ-CZ 4.42Å; V145-F267 HydrophobicContact CG2-CE1 4.34Å; A186-F267 PolarHBondContact O-N 2.93Å; F267-Q269 VanDerWaalsContact C-N 3.34Å; F267-V270 PolarHBondContact O-N 3.33Å; F267-M271 WeakPolarHBondContact O-CG 3.29Å; F267-M271 PolarHBondContact O-N 3Å; F267-F304 HydrophobicContact CB-CD2 4.33Å; F267-F304 HydrophobicContact CB-CE2 4.19Å; F267-F304 HydrophobicContact CD2-CD2 4.02Å; F267-F304 HydrophobicContact CD2-CE2 4.26Å; F267-Y449 HydrophobicContact CE2-CE2 4.48Å; F267-Y449 HydrophobicContact CZ-CD2 4.1Å; F267-Y449 HydrophobicContact CZ-CE2 4.31Å
268L85.1Confident76.8Confident0 Ų068.7 Ų68.70%035%0.349CS..Hα-helixtrans-63.7-41.5177.6-177.661.2000110.9S187 F188 F253 D266 V270 M271 I272 I297S187-L268 WeakPolarHBondContact O-CB 3.1Å; S187-L268 PolarHBondContact O-N 3.39Å; F188-L268 HydrophobicContact CD1-CB 4.03Å; F188-L268 HydrophobicContact CD1-CD1 4.47Å; F188-L268 HydrophobicContact CD1-CD2 4.09Å; F188-L268 HydrophobicContact CD1-CG 4.41Å; F253-L268 HydrophobicContact CB-CD2 4.25Å; D266-L268 PolarHBondContact OD1-N 3.49Å; D266-L268 VanDerWaalsContact OD1-N 3.09Å; L268-V270 VanDerWaalsContact C-N 3.29Å; L268-V270 PolarHBondContact O-N 3.43Å; L268-M271 HydrophobicContact CB-CE 4.46Å; L268-M271 HydrophobicContact CD1-CE 4.01Å; L268-M271 CarbonylContact O-C 3.53Å; L268-M271 WeakPolarHBondContact O-CA 3.36Å; L268-M271 WeakPolarHBondContact O-CB 3.46Å; L268-M271 PolarHBondContact O-N 3.11Å; L268-I272 HydrophobicContact CD1-CD1 4.19Å; L268-I272 HydrophobicContact CD1-CG1 4.21Å; L268-I272 HydrophobicContact CD2-CD1 4.22Å; L268-I272 HydrophobicContact CG-CD1 3.72Å; L268-I272 HydrophobicContact CG-CG1 4.19Å; L268-I272 WeakPolarHBondContact O-CG1 3.06Å; L268-I272 PolarHBondContact O-N 2.77Å; L268-I297 HydrophobicContact CD1-CG2 3.91Å
269Q83.9Confident77.5Confident17 Ų1768.5 Ų68.58%0.07936%0.357CS..Hα-helixtrans-62.4-36.1178-173.562.9-6.200112.2D266 F267 M271 R273D266-Q269 VanDerWaalsContact OD1-CB 3.31Å; D266-Q269 WeakPolarHBondContact OD1-CB 3.13Å; D266-Q269 PolarHBondContact OD1-N 2.67Å; F267-Q269 VanDerWaalsContact C-N 3.34Å; Q269-M271 VanDerWaalsContact C-N 3.33Å; Q269-R273 WeakPolarHBondContact O-CB 3.37Å; Q269-R273 VanDerWaalsContact O-CG 3.26Å; Q269-R273 WeakPolarHBondContact O-CG 3.47Å; Q269-R273 PolarHBondContact O-N 2.73Å
270V85.1Confident78.3Confident25 Ų2564.1 Ų64.115%0.15234%0.342CS..Hα-helixtrans-64.3-40.6172.8177.50000111P135 C136 F267 L268 S274P135-V270 HydrophobicContact CB-CG1 4.47Å; C136-V270 VanDerWaalsContact SG-CG1 3.59Å; F267-V270 PolarHBondContact O-N 3.33Å; L268-V270 VanDerWaalsContact C-N 3.29Å; L268-V270 PolarHBondContact O-N 3.43Å; V270-S274 PolarHBondContact O-N 2.78Å; V270-S274 PolarHBondContact O-OG 3.38Å
271M89.3Confident79.4Confident1 Ų159.6 Ų59.61%0.00532%0.322CS..Hα-helixtrans-69.4-44.6178.9-66.3-171.9-66.900111.9F267 L268 Q269 S274 E275 L292 I297 Q300 A301 F304F267-M271 WeakPolarHBondContact O-CG 3.29Å; F267-M271 PolarHBondContact O-N 3Å; L268-M271 HydrophobicContact CB-CE 4.46Å; L268-M271 HydrophobicContact CD1-CE 4.01Å; L268-M271 CarbonylContact O-C 3.53Å; L268-M271 WeakPolarHBondContact O-CA 3.36Å; L268-M271 WeakPolarHBondContact O-CB 3.46Å; L268-M271 PolarHBondContact O-N 3.11Å; Q269-M271 VanDerWaalsContact C-N 3.33Å; M271-S274 CarbonylContact O-C 3.58Å; M271-S274 PolarHBondContact O-N 2.77Å; M271-S274 VanDerWaalsContact O-N 3.1Å; M271-E275 PolarHBondContact O-N 2.89Å; M271-L292 HydrophobicContact CB-CD1 3.88Å; M271-L292 HydrophobicContact CG-CD1 3.75Å; M271-L292 HydrophobicContact SD-CD1 4.21Å; M271-I297 HydrophobicContact CB-CG1 4.15Å; M271-I297 HydrophobicContact CB-CG2 3.99Å; M271-I297 HydrophobicContact CE-CG2 4.42Å; M271-Q300 HydrophobicContact SD-CB 3.56Å; M271-Q300 VanDerWaalsContact SD-CB 3.56Å; M271-Q300 HydrophobicContact SD-CG 4.29Å; M271-A301 HydrophobicContact CE-CB 4.32Å; M271-F304 HydrophobicContact SD-CE2 4.32Å
272I87.6Confident80.4Confident23 Ų2360.6 Ų60.612%0.11832%0.32CS..Hα-helixtrans-61.9-44.9177.4-67.4170.9000111.1K254 H257 I258 L268 S274 E275K254-I272 HydrophobicContact CB-CD1 4.42Å; K254-I272 HydrophobicContact CG-CD1 3.87Å; K254-I272 HydrophobicContact CG-CG1 4.05Å; H257-I272 HydrophobicContact CB-CD1 3.91Å; I258-I272 HydrophobicContact CG1-CG2 4.3Å; L268-I272 HydrophobicContact CD1-CD1 4.19Å; L268-I272 HydrophobicContact CD1-CG1 4.21Å; L268-I272 HydrophobicContact CD2-CD1 4.22Å; L268-I272 HydrophobicContact CG-CD1 3.72Å; L268-I272 HydrophobicContact CG-CG1 4.19Å; L268-I272 WeakPolarHBondContact O-CG1 3.06Å; L268-I272 PolarHBondContact O-N 2.77Å; I272-S274 PolarHBondContact O-N 2.57Å; I272-S274 VanDerWaalsContact O-N 3.14Å; I272-E275 WeakPolarHBondContact O-CB 3.24Å; I272-E275 PolarHBondContact O-N 3.34Å
273R87.3Confident81.7Confident183 Ų18362 Ų6269%0.69133%0.33SS*.Hα-helixtrans-65-18.1177-73.2177.6-179.3-166-2.4113.7Q269Q269-R273 WeakPolarHBondContact O-CB 3.37Å; Q269-R273 VanDerWaalsContact O-CG 3.26Å; Q269-R273 WeakPolarHBondContact O-CG 3.47Å; Q269-R273 PolarHBondContact O-N 2.73Å
274S89.4Confident82.8Confident37 Ų3762.6 Ų62.626%0.25932%0.322SS..THydrogen-bonded Turntrans-103.115.7176.5-49.20000111.6V270 M271 I272 I276 G291 L292V270-S274 PolarHBondContact O-N 2.78Å; V270-S274 PolarHBondContact O-OG 3.38Å; M271-S274 CarbonylContact O-C 3.58Å; M271-S274 PolarHBondContact O-N 2.77Å; M271-S274 VanDerWaalsContact O-N 3.1Å; I272-S274 PolarHBondContact O-N 2.57Å; I272-S274 VanDerWaalsContact O-N 3.14Å; S274-I276 PolarHBondContact O-N 3.42Å; S274-G291 CarbonylContact O-C 3.38Å; S274-G291 WeakPolarHBondContact O-CA 3.47Å; S274-L292 PolarHBondContact O-N 3.18Å
275E91.9Very high83.8Confident72 Ų7265.3 Ų65.334%0.33634%0.335SS..BIsolated β-bridgetrans-68132.4178.9-172.2164.8-170.300110.7K254 M271 I272 L292 I297K254-E275 WeakPolarHBondContact CE-OE2 3.25Å; K254-E275 VanDerWaalsContact NZ-CD 3.26Å; K254-E275 IonicContact NZ-OE1 2.69Å; K254-E275 PolarHBondContact NZ-OE1 2.92Å; K254-E275 IonicContact NZ-OE2 3.58Å; K254-E275 PolarHBondContact NZ-OE2 2.59Å; K254-E275 VanDerWaalsContact NZ-OE2 3.07Å; M271-E275 PolarHBondContact O-N 2.89Å; I272-E275 WeakPolarHBondContact O-CB 3.24Å; I272-E275 PolarHBondContact O-N 3.34Å; E275-L292 CarbonylContact C-O 3.51Å; E275-L292 VanDerWaalsContact CA-O 3.3Å; E275-L292 WeakPolarHBondContact CA-O 3.46Å; E275-I297 HydrophobicContact CB-CD1 3.91Å; E275-I297 HydrophobicContact CG-CD1 3.95Å
276I91.4Very high84.8Confident26 Ų2669 Ų6913%0.13335%0.345CS..  trans-124.6146.3175.859.1170.3000109.6S274 D280 P288 L292S274-I276 PolarHBondContact O-N 3.42Å; I276-D280 HydrophobicContact CD1-CB 4.49Å; I276-P288 HydrophobicContact CD1-CG 3.52Å; I276-L292 PolarHBondContact N-O 2.99Å
277P89.3Confident85.3Confident72 Ų7270.2 Ų70.247%0.46835%0.351SS..  trans-67.6151.6173.530.8-35.4000110.4S279 D280P277-S279 PolarHBondContact O-N 2.85Å; P277-S279 VanDerWaalsContact O-N 3.13Å; P277-D280 WeakPolarHBondContact CD-OD2 3.44Å; P277-D280 HydrophobicContact CG-CB 4.41Å; P277-D280 WeakPolarHBondContact CG-OD1 3.48Å; P277-D280 WeakPolarHBondContact O-CB 3.46Å; P277-D280 PolarHBondContact O-N 3.18Å
278E85.9Confident85.4Confident139 Ų13972 Ų7265%0.6536%0.362SS*.G310 helixtrans-59.5-26.5177.5-66.8-171.1168.900112.7D280 I281 T293E278-D280 PolarHBondContact O-N 3.16Å; E278-I281 WeakPolarHBondContact O-CB 3.29Å; E278-I281 PolarHBondContact O-N 3.31Å; E278-T293 HydrophobicContact CG-CG2 3.99Å
279S86.3Confident85.5Confident96 Ų9677.1 Ų77.167%0.67140%0.398SS*.G310 helixtrans-60.5-23.7175.755.80000114.2P277 I281P277-S279 PolarHBondContact O-N 2.85Å; P277-S279 VanDerWaalsContact O-N 3.13Å; S279-I281 PolarHBondContact O-N 3.44Å
280D84.9Confident85.8Confident83 Ų8382.1 Ų82.144%0.44442%0.42SS..G310 helixtrans-76.8-11.1178.1-70.26.2000111.7I276 P277 E278 K282I276-D280 HydrophobicContact CD1-CB 4.49Å; P277-D280 WeakPolarHBondContact CD-OD2 3.44Å; P277-D280 HydrophobicContact CG-CB 4.41Å; P277-D280 WeakPolarHBondContact CG-OD1 3.48Å; P277-D280 WeakPolarHBondContact O-CB 3.46Å; P277-D280 PolarHBondContact O-N 3.18Å; E278-D280 PolarHBondContact O-N 3.16Å; D280-K282 PolarHBondContact O-N 3.11Å
281I86.2Confident86.2Confident48 Ų4881.1 Ų81.125%0.24641%0.414CS..  trans-90.395.2173.5-50.1-169.1000108.9R128 E278 S279 Q287 T293R128-I281 VanDerWaalsContact NH1-CD1 3.26Å; R128-I281 VanDerWaalsContact NH1-CG1 3.34Å; E278-I281 WeakPolarHBondContact O-CB 3.29Å; E278-I281 PolarHBondContact O-N 3.31Å; S279-I281 PolarHBondContact O-N 3.44Å; I281-Q287 VanDerWaalsContact CG2-NE2 3.33Å; I281-T293 HydrophobicContact CD1-CG2 3.39Å; I281-T293 HydrophobicContact CG1-CG2 4.36Å
282K80.2Confident86.4Confident152 Ų15281 Ų8166%0.66141%0.414SS*.  trans-71.1-43.8179.8-65.2177.4-178.5-178.60112.8D280 E286D280-K282 PolarHBondContact O-N 3.11Å; K282-E286 HydrophobicContact CB-CB 4.29Å; K282-E286 HydrophobicContact CB-CG 4.48Å; K282-E286 HydrophobicContact CD-CG 4.11Å; K282-E286 WeakPolarHBondContact CD-OE1 3.39Å; K282-E286 IonicContact NZ-OE1 2.77Å; K282-E286 PolarHBondContact NZ-OE1 3.36Å
283S81.8Confident86.6Confident51 Ų5180.2 Ų80.236%0.35741%0.41SS..  trans-161.2169.6177.270.80000111.6H285 E286 Q287S283-H285 PolarHBondContact O-N 2.95Å; S283-H285 VanDerWaalsContact O-N 3.16Å; S283-H285 PolarHBondContact OG-N 3.35Å; S283-E286 PolarHBondContact N-O 3.4Å; S283-E286 CarbonylContact O-C 3.42Å; S283-E286 PolarHBondContact O-N 3.07Å; S283-E286 WeakPolarHBondContact OG-CB 3.19Å; S283-E286 PolarHBondContact OG-N 2.88Å; S283-Q287 PolarHBondContact O-NE2 3.37Å
284E74.3Confident86.7Confident155 Ų15574.9 Ų74.972%0.72439%0.393SS*.SBendtrans-56.8-28.5174.2-69.6-165162.600113.6
285H77.3Confident86.7Confident156 Ų15676.2 Ų76.272%0.72239%0.394SS*.SBendtrans-95-22.5-179.7-59.5-54.2000113.4S283S283-H285 PolarHBondContact O-N 2.95Å; S283-H285 VanDerWaalsContact O-N 3.16Å; S283-H285 PolarHBondContact OG-N 3.35Å
286E82.4Confident86.6Confident103 Ų10372.8 Ų72.848%0.48138%0.378SS..SBendtrans-112.378.9179.6-160.8-177.6166.300109.3K282 S283K282-E286 HydrophobicContact CB-CB 4.29Å; K282-E286 HydrophobicContact CB-CG 4.48Å; K282-E286 HydrophobicContact CD-CG 4.11Å; K282-E286 WeakPolarHBondContact CD-OE1 3.39Å; K282-E286 IonicContact NZ-OE1 2.77Å; K282-E286 PolarHBondContact NZ-OE1 3.36Å; S283-E286 PolarHBondContact N-O 3.4Å; S283-E286 CarbonylContact O-C 3.42Å; S283-E286 PolarHBondContact O-N 3.07Å; S283-E286 WeakPolarHBondContact OG-CB 3.19Å; S283-E286 PolarHBondContact OG-N 2.88Å
287Q87.2Confident86.6Confident34 Ų3471.5 Ų71.516%0.15937%0.372CS..  trans-97.3146.4178.3-60.1-76.4-5100109.9E124 R128 I281 S283E124-Q287 HydrophobicContact CB-CB 4.32Å; E124-Q287 HydrophobicContact CB-CG 3.95Å; R128-Q287 VanDerWaalsContact NH2-OE1 3.17Å; I281-Q287 VanDerWaalsContact CG2-NE2 3.33Å; S283-Q287 PolarHBondContact O-NE2 3.37Å
288P87.8Confident86.6Confident38 Ų3868.7 Ų68.725%0.24735%0.353CS..  trans-61.7157.7166.623.6-29.8000110.9R128 I276 K290R128-P288 VanDerWaalsContact CD-O 3.26Å; R128-P288 WeakPolarHBondContact CD-O 3.43Å; R128-P288 VanDerWaalsContact CG-O 3.24Å; R128-P288 WeakPolarHBondContact CG-O 3.36Å; I276-P288 HydrophobicContact CD1-CG 3.52Å; P288-K290 VanDerWaalsContact C-N 3.28Å; P288-K290 PolarHBondContact O-N 2.81Å
289S86Confident86.8Confident108 Ų10862.1 Ų62.176%0.75532%0.322SS*.SBendtrans-66.8-30.4-175.961.90000113.2
290K90.7Very high87Confident123 Ų12357.5 Ų57.554%0.53529%0.29SS..SBendtrans-146164176-68.2-173.2179.3179.40109.8A131 T132 P288A131-K290 HydrophobicContact CB-CG 4.37Å; T132-K290 WeakPolarHBondContact OG1-CA 3.49Å; P288-K290 VanDerWaalsContact C-N 3.28Å; P288-K290 PolarHBondContact O-N 2.81Å
291G92.8Very high87.3Confident3 Ų353.6 Ų53.63%0.03127%0.269CS..  trans123.5158.2175.200000112.7R128 T132 S274R128-G291 WeakPolarHBondContact CD-O 3.24Å; R128-G291 PolarHBondContact NE-O 3.45Å; T132-G291 PolarHBondContact OG1-N 3.2Å; S274-G291 CarbonylContact O-C 3.38Å; S274-G291 WeakPolarHBondContact O-CA 3.47Å
292L94.2Very high87.3Confident0 Ų051.5 Ų51.50%026%0.258CS..BIsolated β-bridgetrans-131.9139176.3-60.1171.3000109.8I129 T132 I133 M271 S274 E275 I276 E296 I297 Q300I129-L292 HydrophobicContact CB-CD2 4.13Å; I129-L292 HydrophobicContact CG1-CD2 3.78Å; I129-L292 HydrophobicContact CG2-CD2 3.93Å; T132-L292 HydrophobicContact CG2-CD1 4.05Å; T132-L292 HydrophobicContact CG2-CD2 4.44Å; T132-L292 HydrophobicContact CG2-CG 3.8Å; I133-L292 HydrophobicContact CG2-CD1 4.22Å; M271-L292 HydrophobicContact CB-CD1 3.88Å; M271-L292 HydrophobicContact CG-CD1 3.75Å; M271-L292 HydrophobicContact SD-CD1 4.21Å; S274-L292 PolarHBondContact O-N 3.18Å; E275-L292 CarbonylContact C-O 3.51Å; E275-L292 VanDerWaalsContact CA-O 3.3Å; E275-L292 WeakPolarHBondContact CA-O 3.46Å; I276-L292 PolarHBondContact N-O 2.99Å; L292-E296 WeakPolarHBondContact CA-OE2 3.3Å; L292-E296 HydrophobicContact CB-CB 4.14Å; L292-E296 HydrophobicContact CD2-CB 4.15Å; L292-I297 HydrophobicContact CB-CD1 4.35Å; L292-I297 HydrophobicContact CB-CG1 3.6Å; L292-I297 HydrophobicContact CD1-CG1 4Å; L292-I297 HydrophobicContact CG-CG1 4.45Å; L292-Q300 HydrophobicContact CD1-CG 4.44Å
293T92.6Very high87.7Confident5 Ų544.9 Ų44.93%0.03123%0.231CC..  trans-73.2164.4164.770.20000110.5E278 I281 H295 E296 I297E278-T293 HydrophobicContact CG-CG2 3.99Å; I281-T293 HydrophobicContact CD1-CG2 3.39Å; I281-T293 HydrophobicContact CG1-CG2 4.36Å; T293-H295 VanDerWaalsContact C-N 3.28Å; T293-H295 PolarHBondContact O-N 3.49Å; T293-E296 PolarHBondContact N-OE2 3.06Å; T293-E296 VanDerWaalsContact N-OE2 3.07Å; T293-E296 WeakPolarHBondContact O-CB 3.12Å; T293-E296 PolarHBondContact O-N 3.48Å; T293-E296 WeakPolarHBondContact OG1-CG 2.98Å; T293-E296 PolarHBondContact OG1-N 3.23Å; T293-I297 WeakPolarHBondContact O-CG1 3.45Å; T293-I297 PolarHBondContact O-N 2.94Å
294E89.1Confident88.2Confident72 Ų7243.1 Ų43.134%0.33622%0.217SC..Hα-helixtrans-51.8-47.7174.9175.1165.3-115.900112.1K254 E296 I297 L298K254-E294 IonicContact NZ-OE1 2.83Å; K254-E294 PolarHBondContact NZ-OE1 3.38Å; E294-E296 VanDerWaalsContact C-N 3.32Å; E294-E296 PolarHBondContact O-N 3.39Å; E294-I297 WeakPolarHBondContact O-CB 3.36Å; E294-I297 PolarHBondContact O-N 3.5Å; E294-L298 WeakPolarHBondContact O-CG 3.4Å; E294-L298 PolarHBondContact O-N 3.04Å; E294-L298 VanDerWaalsContact O-N 3.1Å
295H87.8Confident88.9Confident64 Ų6436 Ų3630%0.29618%0.183SC..Hα-helixtrans-63.9-37.1179.1-173.2-94.1000112.2D116 Y247 T293 L298 S299D116-H295 IonicContact OD2-CE1 3.38Å; D116-H295 IonicContact OD2-CG 2.68Å; D116-H295 IonicContact OD2-ND1 2.81Å; D116-H295 PolarHBondContact OD2-ND1 2.88Å; Y247-H295 AromaticContact CE2-CD2 3.86Å; Y247-H295 AromaticContact CE2-NE2 3.65Å; T293-H295 VanDerWaalsContact C-N 3.28Å; T293-H295 PolarHBondContact O-N 3.49Å; H295-L298 PolarHBondContact O-N 3.13Å; H295-S299 WeakPolarHBondContact O-CB 3.42Å; H295-S299 PolarHBondContact O-N 3.36Å; H295-S299 PolarHBondContact O-OG 3.38Å
296E91.6Very high89.4Confident0 Ų031.2 Ų31.20%016%0.161CC..Hα-helixtrans-65.9-36.7175.5-72.3176.1160.200112.4D116 R125 R128 I129 L292 T293 E294 S299 Q300D116-E296 HydrophobicContact CB-CG 4Å; R125-E296 IonicContact CZ-OE1 2.66Å; R125-E296 VanDerWaalsContact CZ-OE1 3.25Å; R125-E296 IonicContact NE-OE1 3.94Å; R125-E296 PolarHBondContact NE-OE1 3.18Å; R125-E296 IonicContact NH2-OE1 3.49Å; R125-E296 PolarHBondContact NH2-OE1 2.9Å; R128-E296 IonicContact CZ-OE1 3.93Å; R128-E296 IonicContact CZ-OE2 3.63Å; R128-E296 IonicContact NH2-OE1 2.69Å; R128-E296 PolarHBondContact NH2-OE1 3.37Å; R128-E296 IonicContact NH2-OE2 2.82Å; R128-E296 PolarHBondContact NH2-OE2 3.4Å; I129-E296 HydrophobicContact CD1-CG 4.1Å; L292-E296 WeakPolarHBondContact CA-OE2 3.3Å; L292-E296 HydrophobicContact CB-CB 4.14Å; L292-E296 HydrophobicContact CD2-CB 4.15Å; T293-E296 PolarHBondContact N-OE2 3.06Å; T293-E296 VanDerWaalsContact N-OE2 3.07Å; T293-E296 WeakPolarHBondContact O-CB 3.12Å; T293-E296 PolarHBondContact O-N 3.48Å; T293-E296 WeakPolarHBondContact OG1-CG 2.98Å; T293-E296 PolarHBondContact OG1-N 3.23Å; E294-E296 VanDerWaalsContact C-N 3.32Å; E294-E296 PolarHBondContact O-N 3.39Å; E296-S299 PolarHBondContact O-N 2.71Å; E296-Q300 WeakPolarHBondContact O-CG 3.22Å; E296-Q300 PolarHBondContact O-N 2.92Å; E296-Q300 PolarHBondContact O-NE2 3.13Å
297I91.4Very high89.7Confident0 Ų027.6 Ų27.60%015%0.151CC..Hα-helixtrans-61.2-50.2173.7-64.8172.9000110L268 M271 E275 L292 T293 E294 S299 Q300 A301L268-I297 HydrophobicContact CD1-CG2 3.91Å; M271-I297 HydrophobicContact CB-CG1 4.15Å; M271-I297 HydrophobicContact CB-CG2 3.99Å; M271-I297 HydrophobicContact CE-CG2 4.42Å; E275-I297 HydrophobicContact CB-CD1 3.91Å; E275-I297 HydrophobicContact CG-CD1 3.95Å; L292-I297 HydrophobicContact CB-CD1 4.35Å; L292-I297 HydrophobicContact CB-CG1 3.6Å; L292-I297 HydrophobicContact CD1-CG1 4Å; L292-I297 HydrophobicContact CG-CG1 4.45Å; T293-I297 WeakPolarHBondContact O-CG1 3.45Å; T293-I297 PolarHBondContact O-N 2.94Å; E294-I297 WeakPolarHBondContact O-CB 3.36Å; E294-I297 PolarHBondContact O-N 3.5Å; I297-S299 VanDerWaalsContact C-N 3.29Å; I297-S299 PolarHBondContact O-N 2.89Å; I297-Q300 PolarHBondContact O-N 3.38Å; I297-A301 WeakPolarHBondContact O-CB 3.34Å; I297-A301 PolarHBondContact O-N 3.01Å
298L88.6Confident89.9Confident13 Ų1326.4 Ų26.47%0.06815%0.148CC..Hα-helixtrans-59.9-41178.4-60.8-178.9000111.7Y247 I250 K251 E294 H295 A301 L302Y247-L298 HydrophobicContact CD2-CB 4.16Å; Y247-L298 HydrophobicContact CD2-CD1 3.76Å; Y247-L298 HydrophobicContact CE2-CB 3.89Å; Y247-L298 HydrophobicContact CE2-CD1 4.07Å; Y247-L298 HydrophobicContact CG-CD1 4.46Å; I250-L298 HydrophobicContact CB-CD2 3.96Å; I250-L298 HydrophobicContact CG2-CD2 3.45Å; I250-L298 VanDerWaalsContact CG2-CD2 3.45Å; K251-L298 HydrophobicContact CB-CD2 4.34Å; E294-L298 WeakPolarHBondContact O-CG 3.4Å; E294-L298 PolarHBondContact O-N 3.04Å; E294-L298 VanDerWaalsContact O-N 3.1Å; H295-L298 PolarHBondContact O-N 3.13Å; L298-A301 WeakPolarHBondContact O-CB 3.44Å; L298-A301 PolarHBondContact O-N 3.23Å; L298-L302 PolarHBondContact O-N 3.19Å
299S89.3Confident90.1Very high0 Ų024.9 Ų24.90%014%0.137CC..Hα-helixtrans-66-40.8178.7-55.50000112.3P113 D116 Y247 H295 E296 I297 T303P113-S299 PolarHBondContact O-OG 3.45Å; P113-S299 VanDerWaalsContact O-OG 3.07Å; D116-S299 WeakPolarHBondContact CB-OG 3.31Å; Y247-S299 PolarHBondContact OH-OG 2.96Å; H295-S299 WeakPolarHBondContact O-CB 3.42Å; H295-S299 PolarHBondContact O-N 3.36Å; H295-S299 PolarHBondContact O-OG 3.38Å; E296-S299 PolarHBondContact O-N 2.71Å; I297-S299 VanDerWaalsContact C-N 3.29Å; I297-S299 PolarHBondContact O-N 2.89Å; S299-T303 WeakPolarHBondContact O-CB 3.46Å; S299-T303 PolarHBondContact O-N 2.84Å; S299-T303 PolarHBondContact O-OG1 3.05Å
300Q91.8Very high90.3Very high0 Ų021.3 Ų21.30%011%0.109CC..Hα-helixtrans-67.3-42.8175.9-67.2-17.5-74.600111.4D116 V118 I129 I133 M271 L292 E296 I297 L302 T303 F304D116-Q300 PolarHBondContact O-NE2 2.89Å; V118-Q300 VanDerWaalsContact CB-OE1 3.28Å; I129-Q300 HydrophobicContact CG2-CG 4.14Å; I133-Q300 HydrophobicContact CG2-CG 4.07Å; M271-Q300 HydrophobicContact SD-CB 3.56Å; M271-Q300 VanDerWaalsContact SD-CB 3.56Å; M271-Q300 HydrophobicContact SD-CG 4.29Å; L292-Q300 HydrophobicContact CD1-CG 4.44Å; E296-Q300 WeakPolarHBondContact O-CG 3.22Å; E296-Q300 PolarHBondContact O-N 2.92Å; E296-Q300 PolarHBondContact O-NE2 3.13Å; I297-Q300 PolarHBondContact O-N 3.38Å; Q300-L302 PolarHBondContact O-N 3.13Å; Q300-T303 CarbonylContact O-C 3.59Å; Q300-T303 WeakPolarHBondContact O-CB 3.29Å; Q300-T303 PolarHBondContact O-N 3.17Å; Q300-T303 VanDerWaalsContact O-N 3.16Å; Q300-F304 WeakPolarHBondContact O-CD1 3.19Å; Q300-F304 WeakPolarHBondContact O-CG 3.42Å; Q300-F304 PolarHBondContact O-N 3.4Å
301A89.7Confident90.5Very high0 Ų018 Ų180%010%0.099CC..Hα-helixtrans-55.7-52.117600000111.3F188 I250 M271 I297 L298 T303 F304 I305F188-A301 HydrophobicContact CD1-CB 4.5Å; F188-A301 HydrophobicContact CE1-CB 3.33Å; F188-A301 HydrophobicContact CZ-CB 3.63Å; F188-A301 WeakPolarHBondContact CZ-O 3.24Å; I250-A301 HydrophobicContact CD1-CB 3.75Å; I250-A301 HydrophobicContact CG1-CB 4.17Å; I250-A301 HydrophobicContact CG2-CB 3.56Å; M271-A301 HydrophobicContact CE-CB 4.32Å; I297-A301 WeakPolarHBondContact O-CB 3.34Å; I297-A301 PolarHBondContact O-N 3.01Å; L298-A301 WeakPolarHBondContact O-CB 3.44Å; L298-A301 PolarHBondContact O-N 3.23Å; A301-T303 VanDerWaalsContact C-N 3.29Å; A301-T303 PolarHBondContact O-N 3.35Å; A301-F304 PolarHBondContact O-N 3.25Å; A301-F304 VanDerWaalsContact O-N 3.15Å; A301-I305 WeakPolarHBondContact O-CG1 3.34Å; A301-I305 PolarHBondContact O-N 3.12Å; A301-I305 VanDerWaalsContact O-N 3.13Å
302L87.1Confident90.6Very high4 Ų418 Ų182%0.02110%0.098CC..Hα-helixtrans-61.3-38.8176.7-175.956.6000112.1M114 V243 F246 Y247 I250 L298 Q300 F304 I305 F306M114-L302 HydrophobicContact CG-CD2 4.27Å; M114-L302 HydrophobicContact SD-CB 4Å; M114-L302 HydrophobicContact SD-CD2 3.62Å; M114-L302 HydrophobicContact SD-CG 3.71Å; V243-L302 HydrophobicContact CG1-CD2 3.76Å; F246-L302 HydrophobicContact CB-CD1 3.8Å; F246-L302 HydrophobicContact CD1-CD1 4.31Å; F246-L302 HydrophobicContact CD2-CD1 4.26Å; F246-L302 HydrophobicContact CG-CD1 3.87Å; Y247-L302 HydrophobicContact CD1-CD2 4.3Å; Y247-L302 HydrophobicContact CE1-CD2 3.85Å; I250-L302 HydrophobicContact CD1-CB 4.21Å; L298-L302 PolarHBondContact O-N 3.19Å; Q300-L302 PolarHBondContact O-N 3.13Å; L302-F304 VanDerWaalsContact C-N 3.34Å; L302-F304 PolarHBondContact O-N 2.92Å; L302-I305 PolarHBondContact O-N 3.35Å; L302-F306 PolarHBondContact O-N 2.91Å
303T89.3Confident90.7Very high13 Ų1318 Ų188%0.0810%0.098CC..Hα-helixtrans-61.8-39.4175.4-58.20000112.5M114 A117 T119 S299 Q300 A301 F306 G307M114-T303 HydrophobicContact CE-CG2 4.49Å; M114-T303 WeakPolarHBondContact CE-OG1 3.47Å; A117-T303 HydrophobicContact CB-CG2 4.47Å; A117-T303 WeakPolarHBondContact CB-OG1 3.28Å; T119-T303 HydrophobicContact CG2-CG2 4.11Å; S299-T303 WeakPolarHBondContact O-CB 3.46Å; S299-T303 PolarHBondContact O-N 2.84Å; S299-T303 PolarHBondContact O-OG1 3.05Å; Q300-T303 CarbonylContact O-C 3.59Å; Q300-T303 WeakPolarHBondContact O-CB 3.29Å; Q300-T303 PolarHBondContact O-N 3.17Å; Q300-T303 VanDerWaalsContact O-N 3.16Å; A301-T303 VanDerWaalsContact C-N 3.29Å; A301-T303 PolarHBondContact O-N 3.35Å; T303-F306 PolarHBondContact O-N 3.3Å; T303-G307 PolarHBondContact O-N 2.9Å
304F91.4Very high90.9Very high14 Ų1418.3 Ų18.36%0.06110%0.1CC..Hα-helixtrans-67-42.7178.1-71.3-2.6000111.3I133 F137 V183 F267 M271 Q300 A301 L302 G307 G308 V445I133-F304 HydrophobicContact CB-CZ 4.07Å; I133-F304 HydrophobicContact CD1-CE1 4.07Å; I133-F304 HydrophobicContact CD1-CZ 4.06Å; I133-F304 HydrophobicContact CG2-CZ 4.28Å; F137-F304 HydrophobicContact CE2-CE1 4.09Å; F137-F304 HydrophobicContact CE2-CE2 4.17Å; F137-F304 AromaticContact CE2-CZ 3.69Å; F137-F304 HydrophobicContact CE2-CZ 3.69Å; F137-F304 HydrophobicContact CZ-CD1 4.43Å; F137-F304 HydrophobicContact CZ-CD2 4.4Å; F137-F304 HydrophobicContact CZ-CE1 4.06Å; F137-F304 HydrophobicContact CZ-CE2 4.02Å; F137-F304 AromaticContact CZ-CZ 3.84Å; F137-F304 HydrophobicContact CZ-CZ 3.84Å; V183-F304 WeakPolarHBondContact CG2-O 3.41Å; F267-F304 HydrophobicContact CB-CD2 4.33Å; F267-F304 HydrophobicContact CB-CE2 4.19Å; F267-F304 HydrophobicContact CD2-CD2 4.02Å; F267-F304 HydrophobicContact CD2-CE2 4.26Å; M271-F304 HydrophobicContact SD-CE2 4.32Å; Q300-F304 WeakPolarHBondContact O-CD1 3.19Å; Q300-F304 WeakPolarHBondContact O-CG 3.42Å; Q300-F304 PolarHBondContact O-N 3.4Å; A301-F304 PolarHBondContact O-N 3.25Å; A301-F304 VanDerWaalsContact O-N 3.15Å; L302-F304 VanDerWaalsContact C-N 3.34Å; L302-F304 PolarHBondContact O-N 2.92Å; F304-G307 PolarHBondContact O-N 2.85Å; F304-G308 PolarHBondContact O-N 2.88Å; F304-V445 HydrophobicContact CE1-CG1 4.46Å
305I89.3Confident91.3Very high5 Ų515.1 Ų15.13%0.0269%0.086CC..Hα-helixtrans-59-51.6175-58.2168.1000110.1L180 V183 T184 F188 M206 F246 I250 A301 L302 G307 G308 Y309L180-I305 HydrophobicContact CD1-CG2 3.79Å; V183-I305 HydrophobicContact CG1-CG2 4.38Å; T184-I305 HydrophobicContact CG2-CG1 4.36Å; T184-I305 HydrophobicContact CG2-CG2 4.4Å; F188-I305 HydrophobicContact CE2-CD1 3.54Å; F188-I305 HydrophobicContact CE2-CG1 3.41Å; F188-I305 VanDerWaalsContact CE2-CG1 3.41Å; F188-I305 HydrophobicContact CZ-CD1 3.96Å; F188-I305 HydrophobicContact CZ-CG1 3.85Å; M206-I305 HydrophobicContact CE-CB 4.16Å; M206-I305 HydrophobicContact CE-CG2 3.27Å; M206-I305 HydrophobicContact SD-CG2 4.47Å; F246-I305 HydrophobicContact CD1-CD1 4.05Å; F246-I305 HydrophobicContact CE1-CD1 4.32Å; I250-I305 HydrophobicContact CD1-CD1 4.42Å; A301-I305 WeakPolarHBondContact O-CG1 3.34Å; A301-I305 PolarHBondContact O-N 3.12Å; A301-I305 VanDerWaalsContact O-N 3.13Å; L302-I305 PolarHBondContact O-N 3.35Å; I305-G307 VanDerWaalsContact C-N 3.34Å; I305-G307 PolarHBondContact O-N 3.1Å; I305-G308 PolarHBondContact O-N 2.78Å; I305-Y309 WeakPolarHBondContact O-CB 3.41Å; I305-Y309 PolarHBondContact O-N 3.22Å
306F86.9Confident91.8Very high56 Ų5612.1 Ų12.125%0.2467%0.072CC..Hα-helixtrans-57.3-48.5179.2179.4-84.7000111.7M210 F212 L302 T303 E310M210-F306 HydrophobicContact CE-CD2 3.89Å; M210-F306 HydrophobicContact CE-CE2 3.16Å; M210-F306 HydrophobicContact CE-CZ 3.52Å; M210-F306 HydrophobicContact SD-CD2 3.27Å; M210-F306 WeakPolarHBondContact SD-CD2 3.26Å; M210-F306 HydrophobicContact SD-CE2 3.15Å; M210-F306 WeakPolarHBondContact SD-CE2 3.16Å; M210-F306 HydrophobicContact SD-CG 4.31Å; M210-F306 HydrophobicContact SD-CZ 4.09Å; F212-F306 AromaticContact CE2-CE2 3.94Å; F212-F306 HydrophobicContact CE2-CE2 3.94Å; F212-F306 HydrophobicContact CE2-CZ 4.12Å; F212-F306 AromaticContact CZ-CE2 4Å; F212-F306 HydrophobicContact CZ-CE2 4Å; F212-F306 HydrophobicContact CZ-CZ 4.32Å; L302-F306 PolarHBondContact O-N 2.91Å; T303-F306 PolarHBondContact O-N 3.3Å; F306-E310 PolarHBondContact O-N 3.38Å
307G89.6Confident92.1Very high27 Ų2712.2 Ų12.228%0.2787%0.072SC..Iπ-helixtrans-61.9-47.6179.900000112.3T303 F304 I305 T311T303-G307 PolarHBondContact O-N 2.9Å; F304-G307 PolarHBondContact O-N 2.85Å; I305-G307 VanDerWaalsContact C-N 3.34Å; I305-G307 PolarHBondContact O-N 3.1Å; G307-T311 WeakPolarHBondContact O-CB 3.31Å; G307-T311 PolarHBondContact O-OG1 2.8Å
308G91.3Very high92.4Very high9 Ų912.6 Ų12.69%0.0937%0.074CC..Iπ-helixtrans-76.6-23.7-177.500000114.5F304 I305 T312F304-G308 PolarHBondContact O-N 2.88Å; I305-G308 PolarHBondContact O-N 2.78Å; G308-T312 WeakPolarHBondContact O-CB 3.13Å; G308-T312 PolarHBondContact O-OG1 2.78Å
309Y91.3Very high92.9Very high6 Ų612 Ų122%0.0247%0.071CC..Iπ-helixtrans-83.6-64.6179.1172.6-112.3000112.7A176 L180 H203 M206 M210 I305 S313A176-Y309 HydrophobicContact CB-CD2 4.5Å; A176-Y309 HydrophobicContact CB-CE2 3.64Å; A176-Y309 WeakPolarHBondContact O-CD2 3.31Å; A176-Y309 VanDerWaalsContact O-CE2 3.29Å; A176-Y309 WeakPolarHBondContact O-CE2 3.46Å; L180-Y309 HydrophobicContact CB-CD2 3.63Å; L180-Y309 HydrophobicContact CB-CE2 4.03Å; L180-Y309 HydrophobicContact CD1-CD2 4.22Å; L180-Y309 HydrophobicContact CD1-CG 4.43Å; L180-Y309 HydrophobicContact CG-CD2 4.38Å; H203-Y309 PolarHBondContact CD2-OH 3.06Å; H203-Y309 PolarHBondContact NE2-OH 3.15Å; H203-Y309 VanDerWaalsContact NE2-OH 3.15Å; M206-Y309 HydrophobicContact CG-CD1 3.43Å; M206-Y309 VanDerWaalsContact CG-CD1 3.43Å; M206-Y309 HydrophobicContact CG-CE1 3.53Å; M206-Y309 HydrophobicContact CG-CG 4.14Å; M206-Y309 HydrophobicContact SD-CD1 4.14Å; M210-Y309 HydrophobicContact CG-CD1 4.47Å; M210-Y309 HydrophobicContact CG-CE1 4.21Å; I305-Y309 WeakPolarHBondContact O-CB 3.41Å; I305-Y309 PolarHBondContact O-N 3.22Å; Y309-S313 VanDerWaalsContact O-CB 3.32Å; Y309-S313 WeakPolarHBondContact O-CB 3.49Å; Y309-S313 PolarHBondContact O-N 2.8Å; Y309-S313 PolarHBondContact O-OG 3.03Å
310E90.1Very high93.3Very high33 Ų3312 Ų1215%0.1547%0.071CC..Iπ-helixtrans-73.2-43.3-169.2177.972.4174.100111.7K172 M210 F306 S313 T314K172-E310 WeakPolarHBondContact CE-OE2 2.94Å; K172-E310 IonicContact NZ-OE1 3.37Å; K172-E310 PolarHBondContact NZ-OE1 3.47Å; K172-E310 IonicContact NZ-OE2 2.71Å; K172-E310 PolarHBondContact NZ-OE2 3.04Å; M210-E310 HydrophobicContact CE-CB 3.47Å; M210-E310 VanDerWaalsContact CE-CB 3.47Å; M210-E310 HydrophobicContact CE-CG 3.3Å; M210-E310 HydrophobicContact SD-CB 4.03Å; M210-E310 HydrophobicContact SD-CG 4.46Å; F306-E310 PolarHBondContact O-N 3.38Å; E310-S313 PolarHBondContact O-OG 3.15Å; E310-S313 VanDerWaalsContact O-OG 3.11Å; E310-T314 VanDerWaalsContact O-CB 3.23Å; E310-T314 WeakPolarHBondContact O-CB 3.39Å; E310-T314 PolarHBondContact O-N 3.16Å; E310-T314 VanDerWaalsContact O-N 3.1Å; E310-T314 PolarHBondContact O-OG1 2.77Å
311T94.4Very high93.7Very high54 Ų5412.3 Ų12.333%0.3317%0.072SC..Iπ-helixtrans-72.1-43-174.375.50000111.3G307 T314 T315 T371G307-T311 WeakPolarHBondContact O-CB 3.31Å; G307-T311 PolarHBondContact O-OG1 2.8Å; T311-T314 PolarHBondContact O-N 2.81Å; T311-T315 VanDerWaalsContact O-CB 3.23Å; T311-T315 WeakPolarHBondContact O-CB 3.42Å; T311-T315 PolarHBondContact O-N 2.72Å; T311-T315 PolarHBondContact O-OG1 2.88Å; T311-T371 HydrophobicContact CG2-CG2 4.49Å
312T96.9Very high94.1Very high2 Ų212.7 Ų12.71%0.0127%0.074CC..Hα-helixtrans-61.6-49.9177.9-49.90000111.1G308 T314 T315 L316 V453 M454G308-T312 WeakPolarHBondContact O-CB 3.13Å; G308-T312 PolarHBondContact O-OG1 2.78Å; T312-T314 PolarHBondContact O-N 2.78Å; T312-T315 PolarHBondContact O-N 2.98Å; T312-L316 HydrophobicContact CG2-CD1 4.01Å; T312-L316 WeakPolarHBondContact O-CB 3.36Å; T312-L316 WeakPolarHBondContact O-CG 3.11Å; T312-L316 PolarHBondContact O-N 2.88Å; T312-V453 HydrophobicContact CG2-CG1 4.06Å; T312-M454 HydrophobicContact CG2-CG 3.51Å; T312-M454 HydrophobicContact CG2-SD 4.17Å
313S95.8Very high94.6Very high0 Ų012.5 Ų12.50%07%0.073CC..Hα-helixtrans-64.4-38.8-178.761.80000113.1Y309 E310 S317Y309-S313 VanDerWaalsContact O-CB 3.32Å; Y309-S313 WeakPolarHBondContact O-CB 3.49Å; Y309-S313 PolarHBondContact O-N 2.8Å; Y309-S313 PolarHBondContact O-OG 3.03Å; E310-S313 PolarHBondContact O-OG 3.15Å; E310-S313 VanDerWaalsContact O-OG 3.11Å; S313-S317 WeakPolarHBondContact O-CB 3.36Å; S313-S317 PolarHBondContact O-N 3.26Å; S313-S317 PolarHBondContact O-OG 2.88Å
314T96.1Very high95.1Very high13 Ų1312.3 Ų12.38%0.087%0.073CC..Hα-helixtrans-65.4-45.1174.8-60.50000111.1K172 E310 T311 T312 S317 Y318 T371K172-T314 PolarHBondContact NZ-OG1 3.2Å; E310-T314 VanDerWaalsContact O-CB 3.23Å; E310-T314 WeakPolarHBondContact O-CB 3.39Å; E310-T314 PolarHBondContact O-N 3.16Å; E310-T314 VanDerWaalsContact O-N 3.1Å; E310-T314 PolarHBondContact O-OG1 2.77Å; T311-T314 PolarHBondContact O-N 2.81Å; T312-T314 PolarHBondContact O-N 2.78Å; T314-S317 WeakPolarHBondContact O-CB 3.18Å; T314-S317 PolarHBondContact O-N 3.07Å; T314-Y318 HydrophobicContact CG2-CD2 4.04Å; T314-Y318 HydrophobicContact CG2-CE1 4.2Å; T314-Y318 HydrophobicContact CG2-CE2 3.36Å; T314-Y318 VanDerWaalsContact CG2-CZ 3.43Å; T314-Y318 WeakPolarHBondContact CG2-OH 3.14Å; T314-Y318 PolarHBondContact O-N 3.1Å; T314-T371 HydrophobicContact CG2-CG2 4.18Å
315T97.8Very high95.4Very high5 Ų513.6 Ų13.63%0.0318%0.082CC..Hα-helixtrans-65.8-41.6-179.5-56.50000112.2T311 T312 Y318 T319 F362 T371 M454T311-T315 VanDerWaalsContact O-CB 3.23Å; T311-T315 WeakPolarHBondContact O-CB 3.42Å; T311-T315 PolarHBondContact O-N 2.72Å; T311-T315 PolarHBondContact O-OG1 2.88Å; T312-T315 PolarHBondContact O-N 2.98Å; T315-Y318 PolarHBondContact O-N 3.31Å; T315-T319 WeakPolarHBondContact O-CB 3.44Å; T315-T319 PolarHBondContact O-N 3.11Å; T315-T319 PolarHBondContact O-OG1 2.91Å; T315-F362 HydrophobicContact CG2-CE2 4.05Å; T315-F362 HydrophobicContact CG2-CZ 4.12Å; T315-T371 PolarHBondContact OG1-OG1 3.15Å; T315-M454 WeakPolarHBondContact CB-SD 3.44Å; T315-M454 HydrophobicContact CG2-CE 3.91Å; T315-M454 HydrophobicContact CG2-SD 3.31Å; T315-M454 WeakPolarHBondContact CG2-SD 3.29Å
316L98.3Very high95.8Very high0 Ų014.8 Ų14.80%09%0.088CC..Hα-helixtrans-59.4-46.5171.3-80164.6000111.3V175 T312 Y318 T319 L320 M454 L457 I458V175-L316 HydrophobicContact CB-CD1 4.25Å; V175-L316 HydrophobicContact CG2-CB 3.97Å; V175-L316 HydrophobicContact CG2-CD1 4.28Å; T312-L316 HydrophobicContact CG2-CD1 4.01Å; T312-L316 WeakPolarHBondContact O-CB 3.36Å; T312-L316 WeakPolarHBondContact O-CG 3.11Å; T312-L316 PolarHBondContact O-N 2.88Å; L316-Y318 VanDerWaalsContact C-N 3.33Å; L316-Y318 PolarHBondContact O-N 3.45Å; L316-T319 PolarHBondContact O-N 3.43Å; L316-L320 WeakPolarHBondContact O-CG 3.46Å; L316-L320 PolarHBondContact O-N 3.49Å; L316-M454 HydrophobicContact CD1-CG 4.24Å; L316-M454 HydrophobicContact CD2-CB 3.89Å; L316-M454 HydrophobicContact CD2-CG 4.06Å; L316-M454 HydrophobicContact CG-CB 4.21Å; L316-M454 HydrophobicContact CG-CG 3.8Å; L316-M454 HydrophobicContact CG-SD 4.33Å; L316-L457 HydrophobicContact CD1-CD2 3.58Å; L316-L457 HydrophobicContact CD2-CB 4.28Å; L316-L457 HydrophobicContact CD2-CD2 4.07Å; L316-L457 HydrophobicContact CG-CD2 4.41Å; L316-I458 HydrophobicContact CD2-CD1 4.17Å; L316-I458 HydrophobicContact CD2-CG1 3.84Å
317S97.9Very high96.3Very high2 Ų215 Ų151%0.01410%0.095CC..Hα-helixtrans-59.3-44179.4-58.50000112.1K172 S313 T314 H321K172-S317 VanDerWaalsContact CA-OG 3.3Å; K172-S317 WeakPolarHBondContact CA-OG 3.36Å; K172-S317 PolarHBondContact N-OG 2.77Å; S313-S317 WeakPolarHBondContact O-CB 3.36Å; S313-S317 PolarHBondContact O-N 3.26Å; S313-S317 PolarHBondContact O-OG 2.88Å; T314-S317 WeakPolarHBondContact O-CB 3.18Å; T314-S317 PolarHBondContact O-N 3.07Å; S317-H321 WeakPolarHBondContact O-CB 3.45Å; S317-H321 PolarHBondContact O-N 2.85Å
318Y97.9Very high96.7Very high9 Ų918.4 Ų18.44%0.03510%0.104CC..Hα-helixtrans-69.1-36.6177.1-61.4-19.2000112.5T314 T315 L316 H321 N322 I369 I477 F479 P485 V489T314-Y318 HydrophobicContact CG2-CD2 4.04Å; T314-Y318 HydrophobicContact CG2-CE1 4.2Å; T314-Y318 HydrophobicContact CG2-CE2 3.36Å; T314-Y318 VanDerWaalsContact CG2-CZ 3.43Å; T314-Y318 WeakPolarHBondContact CG2-OH 3.14Å; T314-Y318 PolarHBondContact O-N 3.1Å; T315-Y318 PolarHBondContact O-N 3.31Å; L316-Y318 VanDerWaalsContact C-N 3.33Å; L316-Y318 PolarHBondContact O-N 3.45Å; Y318-H321 PolarHBondContact O-N 3.42Å; Y318-N322 WeakPolarHBondContact O-CB 3.39Å; Y318-N322 VanDerWaalsContact O-CG 3.29Å; Y318-N322 PolarHBondContact O-N 2.99Å; Y318-N322 PolarHBondContact O-ND2 3.26Å; Y318-I369 HydrophobicContact CD1-CG2 4.33Å; Y318-I369 HydrophobicContact CD2-CB 4.09Å; Y318-I369 HydrophobicContact CD2-CG2 3.37Å; Y318-I369 HydrophobicContact CE2-CG2 3.64Å; Y318-I369 HydrophobicContact CG-CB 4.28Å; Y318-I369 HydrophobicContact CG-CG2 3.76Å; Y318-I477 HydrophobicContact CD1-CD1 3.97Å; Y318-I477 HydrophobicContact CE1-CD1 4.26Å; Y318-F479 HydrophobicContact CE1-CE1 4.34Å; Y318-F479 AromaticContact CZ-CE1 3.89Å; Y318-P485 HydrophobicContact CE1-CG 3.85Å; Y318-P485 WeakPolarHBondContact OH-CD 3.11Å; Y318-P485 WeakPolarHBondContact OH-CG 3.43Å; Y318-V489 HydrophobicContact CD1-CG2 4.4Å; Y318-V489 HydrophobicContact CE1-CG2 4.29Å
319T98.5Very high97.1Very high0 Ų018.3 Ų18.30%010%0.101CC..Hα-helixtrans-68.1-44178.3-560000112.1T315 L316 H321 N322 L323 S365 I458T315-T319 WeakPolarHBondContact O-CB 3.44Å; T315-T319 PolarHBondContact O-N 3.11Å; T315-T319 PolarHBondContact O-OG1 2.91Å; L316-T319 PolarHBondContact O-N 3.43Å; T319-H321 VanDerWaalsContact C-N 3.3Å; T319-H321 PolarHBondContact O-N 3.01Å; T319-N322 PolarHBondContact O-N 2.71Å; T319-L323 HydrophobicContact CG2-CD1 4.41Å; T319-L323 WeakPolarHBondContact O-CG 3.1Å; T319-L323 PolarHBondContact O-N 3.18Å; T319-S365 WeakPolarHBondContact CA-OG 3.23Å; T319-S365 WeakPolarHBondContact CB-OG 3.29Å; T319-S365 PolarHBondContact OG1-OG 3.39Å; T319-I458 HydrophobicContact CG2-CD1 3.73Å
320L98.6Very high97.4Very high0 Ų018.5 Ų18.50%010%0.103CC..Hα-helixtrans-64.5-35.7174-65.8175.3000111.7V171 V175 L316 L323 A324 I461 V467 L491 F493V171-L320 HydrophobicContact CG1-CB 4.39Å; V171-L320 HydrophobicContact CG1-CD1 3.69Å; V175-L320 HydrophobicContact CG1-CD1 4.48Å; L316-L320 WeakPolarHBondContact O-CG 3.46Å; L316-L320 PolarHBondContact O-N 3.49Å; L320-L323 PolarHBondContact O-N 2.97Å; L320-A324 WeakPolarHBondContact O-CB 3.28Å; L320-A324 PolarHBondContact O-N 3.04Å; L320-I461 HydrophobicContact CD1-CD1 4.14Å; L320-V467 HydrophobicContact CD2-CG2 4.26Å; L320-L491 HydrophobicContact CB-CD1 3.96Å; L320-F493 HydrophobicContact CD1-CZ 4.3Å
321H98.5Very high97.8Very high7 Ų722.1 Ų22.13%0.03212%0.12CC..Hα-helixtrans-64.7-45.3173.5178.672.3000112.7S317 Y318 T319 L323 A324 T325 M474 I477 V489 L491S317-H321 WeakPolarHBondContact O-CB 3.45Å; S317-H321 PolarHBondContact O-N 2.85Å; Y318-H321 PolarHBondContact O-N 3.42Å; T319-H321 VanDerWaalsContact C-N 3.3Å; T319-H321 PolarHBondContact O-N 3.01Å; H321-L323 VanDerWaalsContact C-N 3.31Å; H321-L323 PolarHBondContact O-N 3.46Å; H321-A324 PolarHBondContact O-N 3.36Å; H321-T325 WeakPolarHBondContact O-CG2 3.23Å; H321-T325 PolarHBondContact O-N 3.39Å; H321-T325 PolarHBondContact O-OG1 2.72Å; H321-M474 PolarHBondContact CE1-O 2.9Å; H321-M474 PolarHBondContact NE2-O 3.49Å; H321-I477 HydrophobicContact CB-CD1 4.39Å; H321-I477 VanDerWaalsContact CD2-CD1 3.48Å; H321-I477 WeakPolarHBondContact CD2-CD1 3.21Å; H321-I477 WeakPolarHBondContact NE2-CG1 3.42Å; H321-V489 HydrophobicContact CB-CG1 3.87Å; H321-L491 HydrophobicContact CB-CD1 4.47Å
322N98.4Very high98Very high8 Ų823.1 Ų23.14%0.04312%0.122CC..Hα-helixtrans-61.7-40.5176.1-74-32.2000111.1Y318 T319 T325 N326 S365 F416Y318-N322 WeakPolarHBondContact O-CB 3.39Å; Y318-N322 VanDerWaalsContact O-CG 3.29Å; Y318-N322 PolarHBondContact O-N 2.99Å; Y318-N322 PolarHBondContact O-ND2 3.26Å; T319-N322 PolarHBondContact O-N 2.71Å; N322-T325 PolarHBondContact O-N 3.21Å; N322-T325 PolarHBondContact O-OG1 2.9Å; N322-T325 VanDerWaalsContact O-OG1 3.13Å; N322-N326 WeakPolarHBondContact O-CB 3.49Å; N322-N326 PolarHBondContact O-N 3.47Å; N322-N326 PolarHBondContact O-ND2 2.87Å; N322-S365 WeakPolarHBondContact ND2-CA 3.37Å; N322-S365 PolarHBondContact ND2-OG 3.02Å; N322-F416 HydrophobicContact CB-CD2 3.95Å; N322-F416 HydrophobicContact CB-CE2 3.53Å; N322-F416 HydrophobicContact CB-CZ 4.06Å
323L98.6Very high98.1Very high0 Ų023 Ų230%012%0.121CC..Hα-helixtrans-64.6-46.3174.5-76.3168.5000112.6T319 L320 H321 T325 N326 V329 M330 L333 V361 I458 L462T319-L323 HydrophobicContact CG2-CD1 4.41Å; T319-L323 WeakPolarHBondContact O-CG 3.1Å; T319-L323 PolarHBondContact O-N 3.18Å; L320-L323 PolarHBondContact O-N 2.97Å; H321-L323 VanDerWaalsContact C-N 3.31Å; H321-L323 PolarHBondContact O-N 3.46Å; L323-T325 PolarHBondContact O-N 3.5Å; L323-N326 CarbonylContact O-C 3.58Å; L323-N326 PolarHBondContact O-N 3.36Å; L323-N326 VanDerWaalsContact O-N 3.09Å; L323-V329 HydrophobicContact CD2-CG1 4.44Å; L323-M330 HydrophobicContact CB-CB 4.42Å; L323-M330 HydrophobicContact CD2-CB 4Å; L323-M330 HydrophobicContact CD2-CG 4.41Å; L323-L333 HydrophobicContact CD1-CD2 4.36Å; L323-L333 HydrophobicContact CD2-CD2 4.08Å; L323-V361 HydrophobicContact CD2-CG1 3.8Å; L323-V361 HydrophobicContact CG-CG1 4.22Å; L323-I458 HydrophobicContact CD1-CG2 4.44Å; L323-L462 HydrophobicContact CD1-CD1 4.07Å
324A98.3Very high98.2Very high8 Ų823.6 Ų23.67%0.06612%0.124CC..Hα-helixtrans-64.2-29.7-179.300000113.3L320 H321 V467 T469 L491L320-A324 WeakPolarHBondContact O-CB 3.28Å; L320-A324 PolarHBondContact O-N 3.04Å; H321-A324 PolarHBondContact O-N 3.36Å; A324-V467 WeakPolarHBondContact CA-O 3.42Å; A324-V467 HydrophobicContact CB-CB 4.45Å; A324-V467 HydrophobicContact CB-CG1 4.08Å; A324-T469 HydrophobicContact CB-CG2 4.37Å; A324-T469 WeakPolarHBondContact O-CG2 3.47Å; A324-L491 HydrophobicContact CB-CD1 4.13Å; A324-L491 HydrophobicContact CB-CD2 3.67Å; A324-L491 HydrophobicContact CB-CG 4.49Å
325T98.1Very high98.2Very high41 Ų4130.1 Ų30.125%0.25215%0.151SC..Hα-helixtrans-87.3-6.6176.951.70000113.6H321 N322 L323 T469 V475H321-T325 WeakPolarHBondContact O-CG2 3.23Å; H321-T325 PolarHBondContact O-N 3.39Å; H321-T325 PolarHBondContact O-OG1 2.72Å; N322-T325 PolarHBondContact O-N 3.21Å; N322-T325 PolarHBondContact O-OG1 2.9Å; N322-T325 VanDerWaalsContact O-OG1 3.13Å; L323-T325 PolarHBondContact O-N 3.5Å; T325-T469 HydrophobicContact CG2-CG2 3.83Å; T325-V475 HydrophobicContact CG2-CG1 4.13Å; T325-V475 HydrophobicContact CG2-CG2 3.67Å
326N98.4Very high98.2Very high30 Ų3031.6 Ų31.616%0.1616%0.158CC..  trans-133.367.5177.5-59.6-88.5000109.3N322 L323 E328 V329 M330 F416N322-N326 WeakPolarHBondContact O-CB 3.49Å; N322-N326 PolarHBondContact O-N 3.47Å; N322-N326 PolarHBondContact O-ND2 2.87Å; L323-N326 CarbonylContact O-C 3.58Å; L323-N326 PolarHBondContact O-N 3.36Å; L323-N326 VanDerWaalsContact O-N 3.09Å; N326-E328 VanDerWaalsContact C-N 3.26Å; N326-E328 PolarHBondContact O-N 3.36Å; N326-V329 HydrophobicContact CB-CB 4.2Å; N326-V329 HydrophobicContact CB-CG2 4.25Å; N326-V329 WeakPolarHBondContact O-CB 3.14Å; N326-V329 PolarHBondContact O-N 3.45Å; N326-M330 PolarHBondContact O-N 3.21Å; N326-M330 VanDerWaalsContact O-N 3.15Å; N326-F416 HydrophobicContact CB-CD1 4.23Å
327P97.9Very high98.2Very high60 Ų6031.6 Ų31.639%0.3916%0.158SC..Hα-helixtrans-60.9-31.2-171.124.5-35000113.7V329 M330 Q331P327-V329 VanDerWaalsContact C-N 3.32Å; P327-V329 PolarHBondContact O-N 2.88Å; P327-M330 PolarHBondContact O-N 2.96Å; P327-Q331 WeakPolarHBondContact O-CG 3.12Å; P327-Q331 PolarHBondContact O-N 2.86Å
328E98.3Very high98Very high99 Ų9934.2 Ų34.246%0.46317%0.172SC..Hα-helixtrans-61.1-40.6174.167.2-66.7159.200112N326 Q331 I332N326-E328 VanDerWaalsContact C-N 3.26Å; N326-E328 PolarHBondContact O-N 3.36Å; E328-Q331 PolarHBondContact O-N 3.3Å; E328-I332 WeakPolarHBondContact O-CG1 3.36Å; E328-I332 PolarHBondContact O-N 3.29Å; E328-I332 VanDerWaalsContact O-N 3.16Å
329V98.6Very high97.8Very high7 Ų737 Ų374%0.04220%0.204CC..Hα-helixtrans-68.6-41.7175.6171.20000110.7L323 N326 P327 Q331 I332 L333 Y357 V361 F416 P418L323-V329 HydrophobicContact CD2-CG1 4.44Å; N326-V329 HydrophobicContact CB-CB 4.2Å; N326-V329 HydrophobicContact CB-CG2 4.25Å; N326-V329 WeakPolarHBondContact O-CB 3.14Å; N326-V329 PolarHBondContact O-N 3.45Å; P327-V329 VanDerWaalsContact C-N 3.32Å; P327-V329 PolarHBondContact O-N 2.88Å; V329-Q331 VanDerWaalsContact C-N 3.29Å; V329-Q331 PolarHBondContact O-N 3.06Å; V329-I332 PolarHBondContact O-N 3.27Å; V329-L333 PolarHBondContact O-N 3.47Å; V329-Y357 HydrophobicContact CG1-CE1 4.1Å; V329-V361 HydrophobicContact CG1-CG2 3.74Å; V329-F416 HydrophobicContact CG1-CD1 4.29Å; V329-F416 HydrophobicContact CG1-CE1 3.85Å; V329-F416 HydrophobicContact CG2-CD1 4.24Å; V329-P418 HydrophobicContact CG1-CG 3.56Å; V329-P418 HydrophobicContact CG2-CG 4.26Å
330M98.6Very high97.6Very high10 Ų1040.4 Ų40.45%0.04923%0.227CC..Hα-helixtrans-59.6-40.3175.3-176.2175.661.700111.8L323 N326 P327 L333 Q334 L462 V467L323-M330 HydrophobicContact CB-CB 4.42Å; L323-M330 HydrophobicContact CD2-CB 4Å; L323-M330 HydrophobicContact CD2-CG 4.41Å; N326-M330 PolarHBondContact O-N 3.21Å; N326-M330 VanDerWaalsContact O-N 3.15Å; P327-M330 PolarHBondContact O-N 2.96Å; M330-L333 PolarHBondContact O-N 3.48Å; M330-Q334 HydrophobicContact CG-CG 4.43Å; M330-Q334 WeakPolarHBondContact O-CB 3.39Å; M330-Q334 VanDerWaalsContact O-CG 3.3Å; M330-Q334 WeakPolarHBondContact O-CG 3.49Å; M330-Q334 PolarHBondContact O-N 2.97Å; M330-L462 HydrophobicContact CG-CD2 3.96Å; M330-L462 HydrophobicContact SD-CD2 3.91Å; M330-V467 WeakPolarHBondContact CE-O 3.42Å; M330-V467 HydrophobicContact SD-CB 4.4Å; M330-V467 PolarHBondContact SD-N 3.43Å
331Q98.1Very high97.2Very high109 Ų10941 Ų4151%0.50923%0.23SC..Hα-helixtrans-65-39.1176.8-73.5174.65.300112.7P327 E328 V329 Q334 K335P327-Q331 WeakPolarHBondContact O-CG 3.12Å; P327-Q331 PolarHBondContact O-N 2.86Å; E328-Q331 PolarHBondContact O-N 3.3Å; V329-Q331 VanDerWaalsContact C-N 3.29Å; V329-Q331 PolarHBondContact O-N 3.06Å; Q331-Q334 PolarHBondContact O-N 2.72Å; Q331-K335 WeakPolarHBondContact O-CG 3.44Å; Q331-K335 PolarHBondContact O-N 2.97Å
332I98.4Very high96.5Very high75 Ų7550.7 Ų50.739%0.38527%0.266SS..Hα-helixtrans-64-44.8175-63.6164.5000110E328 V329 Q334 K335 E336 Y357E328-I332 WeakPolarHBondContact O-CG1 3.36Å; E328-I332 PolarHBondContact O-N 3.29Å; E328-I332 VanDerWaalsContact O-N 3.16Å; V329-I332 PolarHBondContact O-N 3.27Å; I332-Q334 PolarHBondContact O-N 2.98Å; I332-K335 WeakPolarHBondContact O-CB 3.39Å; I332-K335 PolarHBondContact O-N 2.91Å; I332-E336 PolarHBondContact O-N 3.41Å; I332-Y357 HydrophobicContact CB-CD1 4.35Å; I332-Y357 HydrophobicContact CB-CE1 3.65Å; I332-Y357 HydrophobicContact CG2-CD1 3.76Å; I332-Y357 HydrophobicContact CG2-CD2 4.36Å; I332-Y357 HydrophobicContact CG2-CE1 3.39Å; I332-Y357 HydrophobicContact CG2-CE2 4.05Å; I332-Y357 HydrophobicContact CG2-CG 4.21Å
333L98.6Very high95.4Very high0 Ų055.7 Ų55.70%029%0.287CS..Hα-helixtrans-63.1-42.4177.1177.956.8000112.4L323 V329 M330 K335 E336 I337 Y357 L358 V361 I458 L462L323-L333 HydrophobicContact CD1-CD2 4.36Å; L323-L333 HydrophobicContact CD2-CD2 4.08Å; V329-L333 PolarHBondContact O-N 3.47Å; M330-L333 PolarHBondContact O-N 3.48Å; L333-K335 VanDerWaalsContact C-N 3.31Å; L333-K335 PolarHBondContact O-N 2.89Å; L333-E336 PolarHBondContact O-N 3.28Å; L333-I337 HydrophobicContact CD1-CD1 4Å; L333-I337 HydrophobicContact CD1-CG1 4.21Å; L333-I337 HydrophobicContact CG-CD1 3.89Å; L333-I337 WeakPolarHBondContact O-CB 3.38Å; L333-I337 VanDerWaalsContact O-CG1 3.29Å; L333-I337 WeakPolarHBondContact O-CG1 3.37Å; L333-I337 PolarHBondContact O-N 2.88Å; L333-Y357 HydrophobicContact CB-CD1 3.95Å; L333-Y357 HydrophobicContact CB-CE1 4.16Å; L333-Y357 HydrophobicContact CD1-CD1 4.32Å; L333-L358 HydrophobicContact CD1-CB 3.72Å; L333-L358 HydrophobicContact CD1-CD1 4.05Å; L333-L358 HydrophobicContact CD1-CG 4.46Å; L333-L358 HydrophobicContact CD2-CD1 3.99Å; L333-V361 HydrophobicContact CD2-CB 4.37Å; L333-V361 HydrophobicContact CD2-CG1 4.1Å; L333-V361 HydrophobicContact CD2-CG2 4.26Å; L333-I458 HydrophobicContact CD2-CG2 4.49Å; L333-L462 HydrophobicContact CD2-CD1 3.43Å; L333-L462 VanDerWaalsContact CD2-CD1 3.43Å; L333-L462 HydrophobicContact CG-CD1 3.87Å
334Q97.9Very high94.2Very high13 Ų1363.2 Ų63.26%0.06133%0.328CS..Hα-helixtrans-60-41174.5-77172.4-16.900111.5M330 Q331 I332 I337 D338 L462 S466M330-Q334 HydrophobicContact CG-CG 4.43Å; M330-Q334 WeakPolarHBondContact O-CB 3.39Å; M330-Q334 VanDerWaalsContact O-CG 3.3Å; M330-Q334 WeakPolarHBondContact O-CG 3.49Å; M330-Q334 PolarHBondContact O-N 2.97Å; Q331-Q334 PolarHBondContact O-N 2.72Å; I332-Q334 PolarHBondContact O-N 2.98Å; Q334-I337 PolarHBondContact O-N 3.4Å; Q334-D338 WeakPolarHBondContact O-CB 3.49Å; Q334-D338 PolarHBondContact O-N 3.35Å; Q334-L462 HydrophobicContact CG-CB 4.24Å; Q334-S466 PolarHBondContact NE2-OG 2.68Å
335K97.4Very high93.5Very high149 Ų14964.8 Ų64.865%0.64834%0.341SS*.Hα-helixtrans-63.7-40.8175.5-73.9173.6-177.5176.50112.7Q331 I332 L333 G339Q331-K335 WeakPolarHBondContact O-CG 3.44Å; Q331-K335 PolarHBondContact O-N 2.97Å; I332-K335 WeakPolarHBondContact O-CB 3.39Å; I332-K335 PolarHBondContact O-N 2.91Å; L333-K335 VanDerWaalsContact C-N 3.31Å; L333-K335 PolarHBondContact O-N 2.89Å; K335-G339 PolarHBondContact O-N 3.43Å
336E97.8Very high92.9Very high37 Ų3768.4 Ų68.417%0.17337%0.365CS..Hα-helixtrans-60.3-50.9173.1179.3-177.1-115.900110.6I332 L333 D338 G339 C340 L355 E356 Y357 L358I332-E336 PolarHBondContact O-N 3.41Å; L333-E336 PolarHBondContact O-N 3.28Å; E336-D338 PolarHBondContact O-N 2.9Å; E336-G339 PolarHBondContact O-N 2.89Å; E336-C340 WeakPolarHBondContact O-CB 3.3Å; E336-C340 PolarHBondContact O-N 3.42Å; E336-L355 HydrophobicContact CG-CD2 4Å; E336-E356 PolarHBondContact OE1-N 3.35Å; E336-E356 VanDerWaalsContact OE1-N 3.09Å; E336-Y357 VanDerWaalsContact CD-CB 3.45Å; E336-Y357 VanDerWaalsContact OE1-CB 3.27Å; E336-Y357 WeakPolarHBondContact OE1-CB 3.35Å; E336-Y357 PolarHBondContact OE1-N 3.17Å; E336-Y357 WeakPolarHBondContact OE2-CB 3.49Å; E336-Y357 PolarHBondContact OE2-N 3.36Å; E336-L358 PolarHBondContact OE2-N 2.99Å
337I96.9Very high92.6Very high0 Ų067.8 Ų67.80%036%0.361CS..Hα-helixtrans-56.9-48.9180-72.2167.9000111L333 Q334 G339 L341 L355 V459 L462 Q463L333-I337 HydrophobicContact CD1-CD1 4Å; L333-I337 HydrophobicContact CD1-CG1 4.21Å; L333-I337 HydrophobicContact CG-CD1 3.89Å; L333-I337 WeakPolarHBondContact O-CB 3.38Å; L333-I337 VanDerWaalsContact O-CG1 3.29Å; L333-I337 WeakPolarHBondContact O-CG1 3.37Å; L333-I337 PolarHBondContact O-N 2.88Å; Q334-I337 PolarHBondContact O-N 3.4Å; I337-G339 VanDerWaalsContact C-N 3.32Å; I337-G339 PolarHBondContact O-N 3.25Å; I337-L341 HydrophobicContact CG2-CD1 4.22Å; I337-L341 VanDerWaalsContact O-CB 3.23Å; I337-L341 WeakPolarHBondContact O-CB 3.38Å; I337-L341 WeakPolarHBondContact O-CG 3.44Å; I337-L341 PolarHBondContact O-N 2.7Å; I337-L355 HydrophobicContact CG1-CD1 4.44Å; I337-V459 HydrophobicContact CD1-CG2 4.19Å; I337-V459 HydrophobicContact CG1-CG2 4.35Å; I337-V459 HydrophobicContact CG2-CG1 4.13Å; I337-L462 HydrophobicContact CD1-CB 3.85Å; I337-L462 HydrophobicContact CD1-CD1 4.05Å; I337-Q463 HydrophobicContact CG2-CG 3.47Å; I337-Q463 VanDerWaalsContact CG2-CG 3.47Å
338D94.6Very high92.5Very high56 Ų5666.8 Ų66.830%0.29936%0.356SS..Hα-helixtrans-69.7-29.8-178.4-63-20.4000112.6Q334 E336 R496Q334-D338 WeakPolarHBondContact O-CB 3.49Å; Q334-D338 PolarHBondContact O-N 3.35Å; E336-D338 PolarHBondContact O-N 2.9Å; D338-R496 IonicContact OD1-CZ 3.47Å; D338-R496 IonicContact OD1-NH1 3.37Å; D338-R496 PolarHBondContact OD1-NH1 3.2Å; D338-R496 IonicContact OD1-NH2 2.67Å; D338-R496 IonicContact OD2-CZ 2.67Å; D338-R496 IonicContact OD2-NH1 2.73Å; D338-R496 PolarHBondContact OD2-NH1 2.9Å; D338-R496 IonicContact OD2-NH2 3.22Å; D338-R496 PolarHBondContact OD2-NH2 2.9Å
339G94Very high92.3Very high69 Ų6963.7 Ų63.771%0.71134%0.34SS*.Hα-helixtrans-79-36.3179.400000113.4K335 E336 I337K335-G339 PolarHBondContact O-N 3.43Å; E336-G339 PolarHBondContact O-N 2.89Å; I337-G339 VanDerWaalsContact C-N 3.32Å; I337-G339 PolarHBondContact O-N 3.25Å
340C92.9Very high92.1Very high71 Ų7168 Ų6848%0.4836%0.36SS..Hα-helixtrans-88.7-32.9-178.6-68.60000112.8E336 L355E336-C340 WeakPolarHBondContact O-CB 3.3Å; E336-C340 PolarHBondContact O-N 3.42Å; C340-L355 HydrophobicContact CB-CD2 3.73Å
341L91.8Very high91.9Very high11 Ų1170.4 Ų70.46%0.05837%0.373CS..SBendtrans-108131.5-173.6-50.3-174.6000111.3I337 K343 I347 D351 L355 V459I337-L341 HydrophobicContact CG2-CD1 4.22Å; I337-L341 VanDerWaalsContact O-CB 3.23Å; I337-L341 WeakPolarHBondContact O-CB 3.38Å; I337-L341 WeakPolarHBondContact O-CG 3.44Å; I337-L341 PolarHBondContact O-N 2.7Å; L341-K343 PolarHBondContact O-N 3.02Å; L341-I347 HydrophobicContact CD1-CD1 4.14Å; L341-I347 HydrophobicContact CD1-CG1 4.19Å; L341-I347 HydrophobicContact CD1-CG2 4.41Å; L341-D351 HydrophobicContact CD2-CB 3.59Å; L341-L355 HydrophobicContact CD1-CD1 4.31Å; L341-L355 HydrophobicContact CG-CD2 4.44Å; L341-V459 HydrophobicContact CD1-CG1 3.46Å; L341-V459 VanDerWaalsContact CD1-CG1 3.46Å
342R82.4Confident91.8Very high211 Ų21165.2 Ų65.280%0.79635%0.349SS*.  trans-68.8131.3174.2-66.3-179.2-175.1177.32.2110.1N344 A345R342-N344 PolarHBondContact O-N 3.35Å; R342-A345 HydrophobicContact CB-CB 3.72Å; R342-A345 PolarHBondContact O-N 3.16Å
343K75.9Confident91.6Very high113 Ų11364.8 Ų64.849%0.49135%0.347SS..THydrogen-bonded Turntrans-53.7131.2172.8-71.1-175.9175.81800110.2L341 A345 L498L341-K343 PolarHBondContact O-N 3.02Å; K343-A345 PolarHBondContact O-N 3.46Å; K343-A345 VanDerWaalsContact O-N 3.14Å; K343-L498 PolarHBondContact NZ-OXT 2.77Å
344N73.7Confident91.4Very high158 Ų15867.8 Ų67.885%0.84537%0.368SS*.THydrogen-bonded Turntrans59.815.6178-54.3-39.6000116R342R342-N344 PolarHBondContact O-N 3.35Å
345A82.3Confident91.4Very high41 Ų4167.1 Ų67.134%0.33937%0.365SS..SBendtrans-93.2148.7170.200000110.6R342 K343 I347R342-A345 HydrophobicContact CB-CB 3.72Å; R342-A345 PolarHBondContact O-N 3.16Å; K343-A345 PolarHBondContact O-N 3.46Å; K343-A345 VanDerWaalsContact O-N 3.14Å; A345-I347 PolarHBondContact O-N 3.15Å
346P86.3Confident91.4Very high118 Ų11864.5 Ų64.577%0.76636%0.355SS*.PPolyproline II helixtrans-57.3130.9169.3-22.533.3000110.7
347I93.3Very high91.4Very high16 Ų1663.8 Ų63.88%0.08235%0.351CS..PPolyproline II helixtrans-76.9122.5176.5-57.7170.5000107.9F146 L341 A345 D351 L352 M456 V459F146-I347 WeakPolarHBondContact CE1-O 3.28Å; F146-I347 WeakPolarHBondContact CZ-O 3.12Å; L341-I347 HydrophobicContact CD1-CD1 4.14Å; L341-I347 HydrophobicContact CD1-CG1 4.19Å; L341-I347 HydrophobicContact CD1-CG2 4.41Å; A345-I347 PolarHBondContact O-N 3.15Å; I347-D351 HydrophobicContact CG2-CB 4.23Å; I347-L352 HydrophobicContact CG2-CB 4.1Å; I347-M456 HydrophobicContact CB-CE 4.36Å; I347-M456 HydrophobicContact CB-SD 4.48Å; I347-M456 HydrophobicContact CD1-SD 4.03Å; I347-M456 HydrophobicContact CG2-CE 4.34Å; I347-V459 HydrophobicContact CD1-CG1 3.63Å
348S93.8Very high91.5Very high39 Ų3963.8 Ų63.827%0.27335%0.351SS..PPolyproline II helixtrans-81.2165174.776.60000112.4F146 E350 D351 L352F146-S348 WeakPolarHBondContact CZ-O 3.37Å; S348-E350 VanDerWaalsContact C-N 3.26Å; S348-E350 PolarHBondContact O-N 2.84Å; S348-D351 VanDerWaalsContact CB-OD2 3.25Å; S348-D351 WeakPolarHBondContact CB-OD2 3.46Å; S348-D351 PolarHBondContact N-OD2 2.71Å; S348-D351 PolarHBondContact O-N 3.33Å; S348-D351 WeakPolarHBondContact OG-CB 3.35Å; S348-D351 PolarHBondContact OG-N 3.39Å; S348-D351 PolarHBondContact OG-OD1 3.13Å; S348-D351 PolarHBondContact OG-OD2 3.11Å; S348-L352 PolarHBondContact O-N 3.32Å; S348-L352 VanDerWaalsContact O-N 3.1Å
349Y94.4Very high91.7Very high35 Ų3563.9 Ų63.914%0.13735%0.351CS..Hα-helixtrans-62-39.2176.6177.3-89.5000111L142 K143 F146 N353 L452L142-Y349 HydrophobicContact CB-CE2 4.35Å; K143-Y349 HydrophobicContact CB-CD2 4.49Å; K143-Y349 HydrophobicContact CD-CD1 4.49Å; K143-Y349 HydrophobicContact CG-CG 4.38Å; F146-Y349 HydrophobicContact CB-CD2 4.12Å; F146-Y349 AromaticContact CD2-CD2 3.77Å; F146-Y349 HydrophobicContact CD2-CD2 3.77Å; F146-Y349 HydrophobicContact CD2-CG 4.49Å; F146-Y349 VanDerWaalsContact CE1-N 3.3Å; F146-Y349 HydrophobicContact CE2-CD2 4.34Å; F146-Y349 AromaticContact CG-CD2 4Å; F146-Y349 HydrophobicContact CG-CD2 4Å; Y349-N353 WeakPolarHBondContact CD1-ND2 3.33Å; Y349-N353 WeakPolarHBondContact CE1-ND2 3.43Å; Y349-N353 PolarHBondContact O-N 3.12Å; Y349-N353 PolarHBondContact O-ND2 2.87Å; Y349-L452 HydrophobicContact CD2-CD1 3.96Å; Y349-L452 HydrophobicContact CE2-CD1 3.73Å; Y349-L452 HydrophobicContact CE2-CD2 4.3Å
350E94.6Very high91.9Very high98 Ų9861.7 Ų61.746%0.45832%0.323SS..Hα-helixtrans-68-41.8177.2-69.469.8-156.500111.4K143 S348 N353 S354K143-E350 IonicContact NZ-OE1 2.76Å; K143-E350 PolarHBondContact NZ-OE1 3.5Å; K143-E350 IonicContact NZ-OE2 2.77Å; S348-E350 VanDerWaalsContact C-N 3.26Å; S348-E350 PolarHBondContact O-N 2.84Å; E350-N353 PolarHBondContact O-N 2.96Å; E350-S354 WeakPolarHBondContact O-CB 3.2Å; E350-S354 PolarHBondContact O-N 3.45Å; E350-S354 VanDerWaalsContact O-N 3.1Å; E350-S354 PolarHBondContact O-OG 3.2Å
351D94.6Very high92.2Very high60 Ų6058.4 Ų58.432%0.32130%0.3SS..Hα-helixtrans-59.4-51.3177.6-63.4-34.5000110.7L341 I347 S348 N353 S354L341-D351 HydrophobicContact CD2-CB 3.59Å; I347-D351 HydrophobicContact CG2-CB 4.23Å; S348-D351 VanDerWaalsContact CB-OD2 3.25Å; S348-D351 WeakPolarHBondContact CB-OD2 3.46Å; S348-D351 PolarHBondContact N-OD2 2.71Å; S348-D351 PolarHBondContact O-N 3.33Å; S348-D351 WeakPolarHBondContact OG-CB 3.35Å; S348-D351 PolarHBondContact OG-N 3.39Å; S348-D351 PolarHBondContact OG-OD1 3.13Å; S348-D351 PolarHBondContact OG-OD2 3.11Å; D351-N353 VanDerWaalsContact C-N 3.27Å; D351-N353 PolarHBondContact O-N 3.35Å; D351-S354 PolarHBondContact O-N 3.01Å; D351-S354 PolarHBondContact O-OG 2.61Å
352L95.8Very high92.5Very high0 Ų058.1 Ų58.10%030%0.298CS..Hα-helixtrans-60.4-36.5-178.7-172.768.2000112.7F146 I347 S348 S354 L355 L358 L452 K455 M456 V459F146-L352 HydrophobicContact CE2-CB 4.39Å; F146-L352 HydrophobicContact CE2-CD2 3.91Å; I347-L352 HydrophobicContact CG2-CB 4.1Å; S348-L352 PolarHBondContact O-N 3.32Å; S348-L352 VanDerWaalsContact O-N 3.1Å; L352-S354 VanDerWaalsContact C-N 3.3Å; L352-L355 HydrophobicContact CD1-CD1 4.26Å; L352-L358 HydrophobicContact CD1-CD2 4.45Å; L352-L452 HydrophobicContact CD2-CD1 3.92Å; L352-K455 HydrophobicContact CD1-CB 4.01Å; L352-K455 HydrophobicContact CD2-CB 4.11Å; L352-K455 HydrophobicContact CG-CB 4.15Å; L352-M456 HydrophobicContact CD2-CB 4.04Å; L352-M456 HydrophobicContact CD2-CE 4.13Å; L352-V459 HydrophobicContact CD1-CB 4.32Å; L352-V459 HydrophobicContact CD1-CG2 3.74Å
353N93.9Very high93.2Very high66 Ų6649.6 Ų49.635%0.35327%0.271SS..Hα-helixtrans-81.6-8.1179.8-73-60.6000113.6Y349 E350 D351Y349-N353 WeakPolarHBondContact CD1-ND2 3.33Å; Y349-N353 WeakPolarHBondContact CE1-ND2 3.43Å; Y349-N353 PolarHBondContact O-N 3.12Å; Y349-N353 PolarHBondContact O-ND2 2.87Å; E350-N353 PolarHBondContact O-N 2.96Å; D351-N353 VanDerWaalsContact C-N 3.27Å; D351-N353 PolarHBondContact O-N 3.35Å
354S95.3Very high94.3Very high62 Ų6244.2 Ų44.243%0.43425%0.248SC..THydrogen-bonded Turntrans-91.4-6.4177.568.10000114E350 D351 L352 E356E350-S354 WeakPolarHBondContact O-CB 3.2Å; E350-S354 PolarHBondContact O-N 3.45Å; E350-S354 VanDerWaalsContact O-N 3.1Å; E350-S354 PolarHBondContact O-OG 3.2Å; D351-S354 PolarHBondContact O-N 3.01Å; D351-S354 PolarHBondContact O-OG 2.61Å; L352-S354 VanDerWaalsContact C-N 3.3Å; S354-E356 PolarHBondContact O-N 3.08Å
355L97.6Very high95.5Very high0 Ų036.7 Ų36.70%021%0.207CC..  trans-76.188.4178.1-60.3173.2000111.1E336 I337 C340 L341 L352 L358 D359 V459E336-L355 HydrophobicContact CG-CD2 4Å; I337-L355 HydrophobicContact CG1-CD1 4.44Å; C340-L355 HydrophobicContact CB-CD2 3.73Å; L341-L355 HydrophobicContact CD1-CD1 4.31Å; L341-L355 HydrophobicContact CG-CD2 4.44Å; L352-L355 HydrophobicContact CD1-CD1 4.26Å; L355-L358 HydrophobicContact CB-CB 3.71Å; L355-L358 HydrophobicContact CB-CD2 4.15Å; L355-L358 HydrophobicContact CD1-CD2 3.73Å; L355-L358 WeakPolarHBondContact O-CB 3.12Å; L355-L358 PolarHBondContact O-N 3.19Å; L355-D359 PolarHBondContact O-N 3.43Å; L355-V459 HydrophobicContact CD1-CG2 3.56Å
356E97.3Very high96.2Very high94 Ų9434.9 Ų34.944%0.43919%0.192SC..Hα-helixtrans-69.2-37.5-172.3-57.1-168.7-178.800113.2E336 S354 D359 Q360 K423E336-E356 PolarHBondContact OE1-N 3.35Å; E336-E356 VanDerWaalsContact OE1-N 3.09Å; S354-E356 PolarHBondContact O-N 3.08Å; E356-D359 WeakPolarHBondContact O-CB 3.36Å; E356-D359 PolarHBondContact O-N 3.26Å; E356-Q360 WeakPolarHBondContact O-CG 3.14Å; E356-Q360 PolarHBondContact O-N 3.47Å; E356-Q360 VanDerWaalsContact O-N 3.15Å; E356-K423 IonicContact OE1-NZ 3.02Å; E356-K423 PolarHBondContact OE1-NZ 3.37Å; E356-K423 WeakPolarHBondContact OE2-CE 3.32Å; E356-K423 IonicContact OE2-NZ 3.99Å; E356-K423 PolarHBondContact OE2-NZ 3.04Å
357Y98.6Very high96.7Very high22 Ų2229.2 Ų29.29%0.08616%0.155CC..Hα-helixtrans-75-31.7178.9-164.9-104.9000111.5V329 I332 L333 E336 D359 Q360 V361 P418 E419V329-Y357 HydrophobicContact CG1-CE1 4.1Å; I332-Y357 HydrophobicContact CB-CD1 4.35Å; I332-Y357 HydrophobicContact CB-CE1 3.65Å; I332-Y357 HydrophobicContact CG2-CD1 3.76Å; I332-Y357 HydrophobicContact CG2-CD2 4.36Å; I332-Y357 HydrophobicContact CG2-CE1 3.39Å; I332-Y357 HydrophobicContact CG2-CE2 4.05Å; I332-Y357 HydrophobicContact CG2-CG 4.21Å; L333-Y357 HydrophobicContact CB-CD1 3.95Å; L333-Y357 HydrophobicContact CB-CE1 4.16Å; L333-Y357 HydrophobicContact CD1-CD1 4.32Å; E336-Y357 VanDerWaalsContact CD-CB 3.45Å; E336-Y357 VanDerWaalsContact OE1-CB 3.27Å; E336-Y357 WeakPolarHBondContact OE1-CB 3.35Å; E336-Y357 PolarHBondContact OE1-N 3.17Å; E336-Y357 WeakPolarHBondContact OE2-CB 3.49Å; E336-Y357 PolarHBondContact OE2-N 3.36Å; Y357-D359 VanDerWaalsContact C-N 3.26Å; Y357-D359 PolarHBondContact O-N 2.89Å; Y357-Q360 HydrophobicContact CD2-CB 4.5Å; Y357-Q360 WeakPolarHBondContact O-CB 3.47Å; Y357-Q360 PolarHBondContact O-N 3.49Å; Y357-V361 HydrophobicContact CD1-CG2 3.92Å; Y357-V361 HydrophobicContact CE1-CG2 3.73Å; Y357-V361 WeakPolarHBondContact O-CB 3.21Å; Y357-V361 VanDerWaalsContact O-CG2 3.32Å; Y357-V361 WeakPolarHBondContact O-CG2 3.37Å; Y357-V361 PolarHBondContact O-N 2.91Å; Y357-P418 HydrophobicContact CE2-CB 3.9Å; Y357-P418 HydrophobicContact CE2-CG 4.43Å; Y357-E419 PolarHBondContact OH-OE1 3.42Å
358L98.6Very high96.9Very high0 Ų029.7 Ų29.70%016%0.157CC..Hα-helixtrans-56.8-41.8167.3-179.959.6000111.8L333 E336 L352 L355 Q360 V361 F362 K455 I458 V459L333-L358 HydrophobicContact CD1-CB 3.72Å; L333-L358 HydrophobicContact CD1-CD1 4.05Å; L333-L358 HydrophobicContact CD1-CG 4.46Å; L333-L358 HydrophobicContact CD2-CD1 3.99Å; E336-L358 PolarHBondContact OE2-N 2.99Å; L352-L358 HydrophobicContact CD1-CD2 4.45Å; L355-L358 HydrophobicContact CB-CB 3.71Å; L355-L358 HydrophobicContact CB-CD2 4.15Å; L355-L358 HydrophobicContact CD1-CD2 3.73Å; L355-L358 WeakPolarHBondContact O-CB 3.12Å; L355-L358 PolarHBondContact O-N 3.19Å; L358-Q360 VanDerWaalsContact C-N 3.34Å; L358-V361 PolarHBondContact O-N 3.21Å; L358-F362 VanDerWaalsContact O-CB 3.3Å; L358-F362 WeakPolarHBondContact O-CB 3.47Å; L358-F362 PolarHBondContact O-N 3.29Å; L358-K455 HydrophobicContact CD2-CB 3.86Å; L358-K455 HydrophobicContact CD2-CD 4.08Å; L358-K455 HydrophobicContact CD2-CG 3.81Å; L358-K455 HydrophobicContact CG-CD 4.44Å; L358-K455 HydrophobicContact CG-CG 4.11Å; L358-I458 HydrophobicContact CD1-CB 4.42Å; L358-I458 HydrophobicContact CD1-CG2 3.77Å; L358-V459 HydrophobicContact CD2-CG2 3.51Å
359D98.1Very high97Very high57 Ų5728.7 Ų28.731%0.30515%0.149SC..Hα-helixtrans-64.3-42.4178.2-71.527.6000111.2L355 E356 Y357 F362 C363 K455L355-D359 PolarHBondContact O-N 3.43Å; E356-D359 WeakPolarHBondContact O-CB 3.36Å; E356-D359 PolarHBondContact O-N 3.26Å; Y357-D359 VanDerWaalsContact C-N 3.26Å; Y357-D359 PolarHBondContact O-N 2.89Å; D359-F362 PolarHBondContact O-N 3.38Å; D359-C363 WeakPolarHBondContact O-CB 3.46Å; D359-C363 PolarHBondContact O-N 2.84Å; D359-C363 PolarHBondContact O-SG 2.84Å; D359-K455 WeakPolarHBondContact OD1-CE 3.39Å; D359-K455 IonicContact OD1-NZ 3.72Å; D359-K455 PolarHBondContact OD1-NZ 2.7Å; D359-K455 IonicContact OD2-NZ 2.63Å; D359-K455 PolarHBondContact OD2-NZ 3.01Å
360Q98.4Very high97Very high24 Ų2427.1 Ų27.111%0.11214%0.143CC..Hα-helixtrans-61.6-48.8175.5-71.9175.342.100112E356 Y357 L358 F362 C363 E364 P418 F421E356-Q360 WeakPolarHBondContact O-CG 3.14Å; E356-Q360 PolarHBondContact O-N 3.47Å; E356-Q360 VanDerWaalsContact O-N 3.15Å; Y357-Q360 HydrophobicContact CD2-CB 4.5Å; Y357-Q360 WeakPolarHBondContact O-CB 3.47Å; Y357-Q360 PolarHBondContact O-N 3.49Å; L358-Q360 VanDerWaalsContact C-N 3.34Å; Q360-F362 VanDerWaalsContact C-N 3.35Å; Q360-F362 PolarHBondContact O-N 2.9Å; Q360-C363 PolarHBondContact O-N 3.38Å; Q360-E364 WeakPolarHBondContact O-CB 3.41Å; Q360-E364 PolarHBondContact O-N 3.2Å; Q360-P418 HydrophobicContact CB-CB 3.79Å; Q360-P418 WeakPolarHBondContact CB-O 3.42Å; Q360-F421 HydrophobicContact CB-CB 4.37Å; Q360-F421 HydrophobicContact CG-CB 4.11Å; Q360-F421 WeakPolarHBondContact CG-O 3.4Å
361V98.7Very high96.9Very high1 Ų124.3 Ų24.31%0.00613%0.132CC..Hα-helixtrans-60.7-45.2177.5166.20000110.9L323 V329 L333 Y357 L358 E364 S365 F416 P418L323-V361 HydrophobicContact CD2-CG1 3.8Å; L323-V361 HydrophobicContact CG-CG1 4.22Å; V329-V361 HydrophobicContact CG1-CG2 3.74Å; L333-V361 HydrophobicContact CD2-CB 4.37Å; L333-V361 HydrophobicContact CD2-CG1 4.1Å; L333-V361 HydrophobicContact CD2-CG2 4.26Å; Y357-V361 HydrophobicContact CD1-CG2 3.92Å; Y357-V361 HydrophobicContact CE1-CG2 3.73Å; Y357-V361 WeakPolarHBondContact O-CB 3.21Å; Y357-V361 VanDerWaalsContact O-CG2 3.32Å; Y357-V361 WeakPolarHBondContact O-CG2 3.37Å; Y357-V361 PolarHBondContact O-N 2.91Å; L358-V361 PolarHBondContact O-N 3.21Å; V361-E364 PolarHBondContact O-N 3.41Å; V361-S365 VanDerWaalsContact O-CB 3.31Å; V361-S365 WeakPolarHBondContact O-CB 3.23Å; V361-S365 PolarHBondContact O-N 2.99Å; V361-F416 HydrophobicContact CG1-CZ 4.26Å; V361-P418 HydrophobicContact CG2-CB 3.99Å; V361-P418 HydrophobicContact CG2-CG 3.72Å
362F98.2Very high96.9Very high5 Ų523.3 Ų23.32%0.02213%0.133CC..Hα-helixtrans-62.6-45.8179.1-177.3-91.8000110.9T315 L358 D359 Q360 S365 Q366 F437 I451 M454 I458T315-F362 HydrophobicContact CG2-CE2 4.05Å; T315-F362 HydrophobicContact CG2-CZ 4.12Å; L358-F362 VanDerWaalsContact O-CB 3.3Å; L358-F362 WeakPolarHBondContact O-CB 3.47Å; L358-F362 PolarHBondContact O-N 3.29Å; D359-F362 PolarHBondContact O-N 3.38Å; Q360-F362 VanDerWaalsContact C-N 3.35Å; Q360-F362 PolarHBondContact O-N 2.9Å; F362-S365 WeakPolarHBondContact O-CB 3.35Å; F362-S365 PolarHBondContact O-N 3.23Å; F362-Q366 HydrophobicContact CD1-CG 4.28Å; F362-Q366 HydrophobicContact CE1-CG 3.78Å; F362-Q366 HydrophobicContact CZ-CG 3.98Å; F362-Q366 WeakPolarHBondContact O-CG 3.33Å; F362-Q366 PolarHBondContact O-N 2.85Å; F362-F437 HydrophobicContact CE1-CE2 4.13Å; F362-F437 HydrophobicContact CE1-CZ 4.27Å; F362-F437 HydrophobicContact CZ-CZ 4.28Å; F362-I451 HydrophobicContact CE1-CD1 4.43Å; F362-I451 HydrophobicContact CE1-CG1 3.77Å; F362-I451 HydrophobicContact CZ-CG1 4.15Å; F362-M454 HydrophobicContact CE2-CB 4.1Å; F362-M454 HydrophobicContact CE2-CE 3.69Å; F362-M454 HydrophobicContact CE2-SD 3.88Å; F362-M454 HydrophobicContact CZ-CE 3.43Å; F362-M454 VanDerWaalsContact CZ-CE 3.43Å; F362-M454 HydrophobicContact CZ-SD 4.19Å; F362-I458 HydrophobicContact CD2-CD1 4.43Å
363C98.1Very high96.7Very high33 Ų3324.2 Ų24.222%0.22314%0.139CC..Hα-helixtrans-62.3-45.3177.4-75.70000112.6D359 Q360 S365 Q366 R367 F421 Y434D359-C363 WeakPolarHBondContact O-CB 3.46Å; D359-C363 PolarHBondContact O-N 2.84Å; D359-C363 PolarHBondContact O-SG 2.84Å; Q360-C363 PolarHBondContact O-N 3.38Å; C363-S365 VanDerWaalsContact C-N 3.31Å; C363-S365 PolarHBondContact O-N 3.4Å; C363-Q366 PolarHBondContact O-N 3.04Å; C363-Q366 VanDerWaalsContact O-N 3.15Å; C363-R367 PolarHBondContact O-N 3.01Å; C363-F421 HydrophobicContact CB-CB 4.07Å; C363-F421 HydrophobicContact CB-CD1 3.63Å; C363-F421 HydrophobicContact CB-CD2 3.64Å; C363-F421 HydrophobicContact CB-CE1 3.9Å; C363-F421 HydrophobicContact CB-CE2 3.91Å; C363-F421 HydrophobicContact CB-CG 3.48Å; C363-F421 VanDerWaalsContact CB-CG 3.48Å; C363-F421 HydrophobicContact CB-CZ 4.04Å; C363-Y434 WeakPolarHBondContact CA-OH 3.4Å; C363-Y434 VanDerWaalsContact CB-OH 3.26Å; C363-Y434 WeakPolarHBondContact CB-OH 3.31Å; C363-Y434 PolarHBondContact O-OH 3.2Å; C363-Y434 VanDerWaalsContact O-OH 3.11Å; C363-Y434 PolarHBondContact SG-OH 2.93Å
364E98.4Very high96.8Very high0 Ų022.9 Ų22.90%013%0.129CC..Hα-helixtrans-65.6-35.4178.1-17866.9172.300112.2Q360 V361 Q366 R367 M368 S415 F416 K417 R420 F421Q360-E364 WeakPolarHBondContact O-CB 3.41Å; Q360-E364 PolarHBondContact O-N 3.2Å; V361-E364 PolarHBondContact O-N 3.41Å; E364-Q366 PolarHBondContact O-N 3.34Å; E364-R367 WeakPolarHBondContact O-CB 3.48Å; E364-R367 PolarHBondContact O-N 3.3Å; E364-R367 IonicContact OE1-CZ 3.52Å; E364-R367 IonicContact OE1-NE 3.46Å; E364-R367 PolarHBondContact OE1-NE 3.33Å; E364-R367 IonicContact OE1-NH2 3.12Å; E364-R367 PolarHBondContact OE1-NH2 2.97Å; E364-R367 WeakPolarHBondContact OE2-CD 3.44Å; E364-R367 IonicContact OE2-CZ 3.43Å; E364-R367 IonicContact OE2-NE 3.59Å; E364-R367 PolarHBondContact OE2-NE 2.95Å; E364-R367 IonicContact OE2-NH2 2.91Å; E364-M368 WeakPolarHBondContact O-CB 3.36Å; E364-M368 WeakPolarHBondContact O-CG 3.5Å; E364-M368 PolarHBondContact O-N 3.43Å; E364-S415 VanDerWaalsContact OE1-O 3.12Å; E364-F416 HydrophobicContact CB-CE2 4.1Å; E364-F416 HydrophobicContact CB-CZ 4.07Å; E364-F416 HydrophobicContact CG-CD1 4.24Å; E364-F416 HydrophobicContact CG-CD2 3.72Å; E364-F416 HydrophobicContact CG-CE1 4.25Å; E364-F416 HydrophobicContact CG-CE2 3.7Å; E364-F416 HydrophobicContact CG-CG 3.97Å; E364-F416 HydrophobicContact CG-CZ 3.97Å; E364-K417 PolarHBondContact OE1-N 3.21Å; E364-R420 IonicContact OE1-NE 2.98Å; E364-R420 PolarHBondContact OE1-NE 3.1Å; E364-R420 IonicContact OE2-NE 3.74Å; E364-F421 HydrophobicContact CB-CD2 4.15Å; E364-F421 HydrophobicContact CB-CE2 4.11Å; E364-F421 WeakPolarHBondContact OE2-CE2 3.43Å
365S98.3Very high96.8Very high0 Ų020.8 Ų20.80%011%0.112CC..Hα-helixtrans-59.3-45.7170.8178.70000112.2T319 N322 V361 F362 C363 R367 M368 I369T319-S365 WeakPolarHBondContact CA-OG 3.23Å; T319-S365 WeakPolarHBondContact CB-OG 3.29Å; T319-S365 PolarHBondContact OG1-OG 3.39Å; N322-S365 WeakPolarHBondContact ND2-CA 3.37Å; N322-S365 PolarHBondContact ND2-OG 3.02Å; V361-S365 VanDerWaalsContact O-CB 3.31Å; V361-S365 WeakPolarHBondContact O-CB 3.23Å; V361-S365 PolarHBondContact O-N 2.99Å; F362-S365 WeakPolarHBondContact O-CB 3.35Å; F362-S365 PolarHBondContact O-N 3.23Å; C363-S365 VanDerWaalsContact C-N 3.31Å; C363-S365 PolarHBondContact O-N 3.4Å; S365-R367 VanDerWaalsContact C-N 3.33Å; S365-R367 PolarHBondContact O-N 3.2Å; S365-M368 PolarHBondContact O-N 2.86Å; S365-I369 PolarHBondContact O-N 3.46Å
366Q97.8Very high96.8Very high2 Ų222.4 Ų22.41%0.00912%0.12CC..Hα-helixtrans-69.4-29.6176.8-67-46.6-82.400113.5F362 C363 E364 P370 H404 P436F362-Q366 HydrophobicContact CD1-CG 4.28Å; F362-Q366 HydrophobicContact CE1-CG 3.78Å; F362-Q366 HydrophobicContact CZ-CG 3.98Å; F362-Q366 WeakPolarHBondContact O-CG 3.33Å; F362-Q366 PolarHBondContact O-N 2.85Å; C363-Q366 PolarHBondContact O-N 3.04Å; C363-Q366 VanDerWaalsContact O-N 3.15Å; E364-Q366 PolarHBondContact O-N 3.34Å; Q366-P370 WeakPolarHBondContact O-CA 3.41Å; Q366-P370 WeakPolarHBondContact O-CB 3.49Å; Q366-H404 PolarHBondContact O-ND1 2.97Å; Q366-P436 HydrophobicContact CB-CB 3.68Å; Q366-P436 HydrophobicContact CB-CG 4.02Å; Q366-P436 HydrophobicContact CG-CB 4.29Å
367R97.8Very high96.8Very high0 Ų018 Ų180%010%0.099CC..Hα-helixtrans-63.7-52.2169.9-167.6-168.265.177.9-1.4109.8C363 E364 S365 H404 W410 P413 S415 F421 Y434C363-R367 PolarHBondContact O-N 3.01Å; E364-R367 WeakPolarHBondContact O-CB 3.48Å; E364-R367 PolarHBondContact O-N 3.3Å; E364-R367 IonicContact OE1-CZ 3.52Å; E364-R367 IonicContact OE1-NE 3.46Å; E364-R367 PolarHBondContact OE1-NE 3.33Å; E364-R367 IonicContact OE1-NH2 3.12Å; E364-R367 PolarHBondContact OE1-NH2 2.97Å; E364-R367 WeakPolarHBondContact OE2-CD 3.44Å; E364-R367 IonicContact OE2-CZ 3.43Å; E364-R367 IonicContact OE2-NE 3.59Å; E364-R367 PolarHBondContact OE2-NE 2.95Å; E364-R367 IonicContact OE2-NH2 2.91Å; S365-R367 VanDerWaalsContact C-N 3.33Å; S365-R367 PolarHBondContact O-N 3.2Å; R367-H404 WeakPolarHBondContact CA-ND1 3.41Å; R367-H404 WeakPolarHBondContact CD-O 3Å; R367-H404 HydrophobicContact CG-CB 3.9Å; R367-H404 VanDerWaalsContact CG-O 3.28Å; R367-H404 WeakPolarHBondContact CG-O 3.28Å; R367-H404 PolarHBondContact NH1-O 2.92Å; R367-H404 WeakPolarHBondContact O-CB 3.43Å; R367-H404 PolarHBondContact O-ND1 2.97Å; R367-W410 VanDerWaalsContact CD-CD2 3.5Å; R367-W410 VanDerWaalsContact CD-CE3 3.41Å; R367-W410 VanDerWaalsContact CD-CZ3 3.47Å; R367-W410 HydrophobicContact CG-CD2 4.49Å; R367-W410 HydrophobicContact CG-CH2 4.17Å; R367-W410 HydrophobicContact CG-CZ2 4.04Å; R367-W410 HydrophobicContact CG-CZ3 4.47Å; R367-P413 PolarHBondContact NH1-O 2.92Å; R367-P413 PolarHBondContact NH2-O 3.02Å; R367-S415 PolarHBondContact NH2-O 2.8Å; R367-S415 VanDerWaalsContact NH2-O 3.17Å; R367-F421 HydrophobicContact CB-CE2 4.34Å; R367-F421 HydrophobicContact CB-CZ 4.25Å; R367-Y434 HydrophobicContact CB-CD2 4.24Å; R367-Y434 HydrophobicContact CB-CE2 3.96Å; R367-Y434 HydrophobicContact CG-CD2 4.37Å
368M96.4Very high96.7Very high25 Ų2518.5 Ų18.512%0.12310%0.104CC..Hα-helixtrans-66.1-43.7-173.9-76.1-66.8-75.600113.6E364 S365 K405 E414 F416E364-M368 WeakPolarHBondContact O-CB 3.36Å; E364-M368 WeakPolarHBondContact O-CG 3.5Å; E364-M368 PolarHBondContact O-N 3.43Å; S365-M368 PolarHBondContact O-N 2.86Å; M368-K405 WeakPolarHBondContact O-CE 3.23Å; M368-E414 VanDerWaalsContact CE-O 3.24Å; M368-E414 WeakPolarHBondContact CE-O 3.37Å; M368-F416 HydrophobicContact CG-CD2 3.92Å
369I95.3Very high96.7Very high18 Ų1818.5 Ų18.59%0.09210%0.104CC..SBendtrans-138.582.7-177.5-46.3-178.8000109.4Y318 S365 I477 F479Y318-I369 HydrophobicContact CD1-CG2 4.33Å; Y318-I369 HydrophobicContact CD2-CB 4.09Å; Y318-I369 HydrophobicContact CD2-CG2 3.37Å; Y318-I369 HydrophobicContact CE2-CG2 3.64Å; Y318-I369 HydrophobicContact CG-CB 4.28Å; Y318-I369 HydrophobicContact CG-CG2 3.76Å; S365-I369 PolarHBondContact O-N 3.46Å; I369-I477 HydrophobicContact CD1-CD1 3.99Å; I369-F479 HydrophobicContact CG2-CE1 4.38Å; I369-F479 HydrophobicContact CG2-CE2 4.28Å; I369-F479 HydrophobicContact CG2-CZ 3.56Å
370P94.9Very high96.5Very high3 Ų318.6 Ų18.62%0.01910%0.102CC..  trans-73.2131.7-179.428.4-33.4000110.8Q366 A372 V400 H401 F483Q366-P370 WeakPolarHBondContact O-CA 3.41Å; Q366-P370 WeakPolarHBondContact O-CB 3.49Å; P370-A372 PolarHBondContact O-N 3.08Å; P370-V400 HydrophobicContact CB-CG1 4.33Å; P370-V400 HydrophobicContact CG-CG1 4.49Å; P370-H401 HydrophobicContact CG-CB 4.04Å; P370-F483 WeakPolarHBondContact O-CE1 3.24Å; P370-F483 VanDerWaalsContact O-CZ 3.25Å; P370-F483 WeakPolarHBondContact O-CZ 3.45Å
371T93.4Very high96.4Very high38 Ų3824 Ų2423%0.23313%0.125CC..SBendtrans-61.5-29.1177.2-600000113T311 T314 T315T311-T371 HydrophobicContact CG2-CG2 4.49Å; T314-T371 HydrophobicContact CG2-CG2 4.18Å; T315-T371 PolarHBondContact OG1-OG1 3.15Å
372A93Very high96.3Very high40 Ų4027.5 Ų27.533%0.33115%0.147SC..SBendtrans-112.697.9172.400000110.3P370 R374P370-A372 PolarHBondContact O-N 3.08Å; A372-R374 VanDerWaalsContact C-N 3.28Å; A372-R374 PolarHBondContact O-N 3.34Å
373P93.4Very high96.2Very high19 Ų1928.9 Ų28.912%0.12315%0.154CC..  trans-76.4-13.9-171.332.9-40000113.9L56 L57 V400 H401 F483L56-P373 HydrophobicContact CD2-CB 4.32Å; L56-P373 HydrophobicContact CD2-CG 3.87Å; L57-P373 HydrophobicContact CD2-CB 4.31Å; P373-V400 PolarHBondContact O-N 3.32Å; P373-V400 VanDerWaalsContact O-N 3.1Å; P373-H401 HydrophobicContact CB-CB 4.2Å; P373-H401 PolarHBondContact O-N 3.43Å; P373-H401 PolarHBondContact O-ND1 3.37Å; P373-F483 HydrophobicContact CB-CD1 3.91Å; P373-F483 HydrophobicContact CB-CD2 4.03Å; P373-F483 HydrophobicContact CB-CE1 3.86Å; P373-F483 HydrophobicContact CB-CE2 3.95Å; P373-F483 HydrophobicContact CB-CG 3.99Å; P373-F483 HydrophobicContact CB-CZ 3.86Å; P373-F483 VanDerWaalsContact CD-CD1 3.5Å; P373-F483 HydrophobicContact CG-CB 3.99Å; P373-F483 HydrophobicContact CG-CD1 3.43Å; P373-F483 VanDerWaalsContact CG-CD1 3.43Å; P373-F483 HydrophobicContact CG-CD2 4.11Å; P373-F483 HydrophobicContact CG-CE1 3.84Å; P373-F483 HydrophobicContact CG-CE2 4.44Å; P373-F483 HydrophobicContact CG-CG 3.57Å; P373-F483 HydrophobicContact CG-CZ 4.31Å
374R94.7Very high96.1Very high38 Ų3834.3 Ų34.314%0.14318%0.176CC..  trans-140.7146.2177.2-67.4-176.2-178.7163.60.4110.8D60 E75 A372 I398D60-R374 IonicContact OD1-CZ 3.05Å; D60-R374 IonicContact OD1-NE 3.25Å; D60-R374 IonicContact OD1-NH2 2.88Å; D60-R374 PolarHBondContact OD1-NH2 3.46Å; D60-R374 IonicContact OD2-CZ 2.71Å; D60-R374 IonicContact OD2-NE 3.2Å; D60-R374 PolarHBondContact OD2-NE 3.44Å; D60-R374 IonicContact OD2-NH2 3.83Å; D60-R374 PolarHBondContact OD2-NH2 3Å; E75-R374 IonicContact OE1-NH1 3.15Å; A372-R374 VanDerWaalsContact C-N 3.28Å; A372-R374 PolarHBondContact O-N 3.34Å; R374-I398 CarbonylContact C-O 3.38Å; R374-I398 VanDerWaalsContact CA-O 3.23Å; R374-I398 WeakPolarHBondContact CA-O 3.09Å
375L96.8Very high96Very high17 Ų1734.8 Ų34.89%0.08918%0.178CC..EExtended strand (participates in β ladder)trans-109.8156.9164.8-54.6172.6000109.3L93 G397 I398 V400 M435L93-L375 HydrophobicContact CD1-CD1 4.11Å; L375-G397 CarbonylContact O-C 3.58Å; L375-G397 WeakPolarHBondContact O-CA 3.12Å; L375-I398 HydrophobicContact CB-CB 4.27Å; L375-I398 PolarHBondContact N-O 3.15Å; L375-I398 PolarHBondContact O-N 3.36Å; L375-V400 HydrophobicContact CD1-CG2 3.99Å; L375-V400 HydrophobicContact CD2-CG2 4.41Å; L375-V400 HydrophobicContact CG-CG2 3.6Å; L375-M435 HydrophobicContact CD1-CG 4.11Å; L375-M435 HydrophobicContact CD1-SD 3.46Å; L375-M435 WeakPolarHBondContact CD1-SD 3.37Å
376E96.6Very high95.7Very high34 Ų3440.2 Ų40.216%0.15921%0.207CC..EExtended strand (participates in β ladder)trans-139.4148.7179.2-63.2-178139.400112.6R105 L395 V396R105-E376 WeakPolarHBondContact CD-OE2 3.37Å; R105-E376 WeakPolarHBondContact CG-OE2 3.28Å; R105-E376 IonicContact CZ-OE1 2.87Å; R105-E376 IonicContact CZ-OE2 2.74Å; R105-E376 IonicContact NE-OE1 3.07Å; R105-E376 PolarHBondContact NE-OE1 2.95Å; R105-E376 IonicContact NE-OE2 3.25Å; R105-E376 PolarHBondContact NE-OE2 3.09Å; R105-E376 IonicContact NH2-OE1 2.71Å; R105-E376 PolarHBondContact NH2-OE1 3.11Å; R105-E376 IonicContact NH2-OE2 2.78Å; E376-L395 HydrophobicContact CB-CD1 4.18Å; E376-V396 CarbonylContact C-O 3.46Å; E376-V396 WeakPolarHBondContact CA-O 3.4Å
377R97.6Very high95.3Very high2 Ų243 Ų431%0.00824%0.237CC..EExtended strand (participates in β ladder)trans-140.9145.6168.5-65.3-59.8-174.9-89.3-6.9111.1I92 L93 F101 N103 V396 R442I92-R377 HydrophobicContact CG2-CB 4.1Å; I92-R377 HydrophobicContact CG2-CG 4.03Å; L93-R377 HydrophobicContact CD2-CG 4.08Å; F101-R377 HydrophobicContact CB-CB 3.98Å; F101-R377 HydrophobicContact CB-CG 4.21Å; F101-R377 HydrophobicContact CD1-CB 4.07Å; F101-R377 HydrophobicContact CG-CB 4.48Å; F101-R377 WeakPolarHBondContact O-CD 3.48Å; N103-R377 CarbonylContact O-C 3.59Å; N103-R377 VanDerWaalsContact O-CA 3.23Å; N103-R377 WeakPolarHBondContact O-CA 3.47Å; R377-V396 PolarHBondContact N-O 2.84Å; R377-V396 PolarHBondContact O-N 3Å; R377-R442 PolarHBondContact NH2-O 3.22Å
378T96.9Very high95.2Very high32 Ų3243.8 Ų43.820%0.19624%0.241CC..EExtended strand (participates in β ladder)trans-99126173.2-52.70000109N103 R104 K380N103-T378 PolarHBondContact O-N 3.35Å; R104-T378 PolarHBondContact O-OG1 2.91Å; T378-K380 PolarHBondContact O-N 3.29Å
379C97Very high95.2Very high0 Ų045.7 Ų45.70%025%0.254CS..  trans-72.4117175.1-163.30000109.8A100 F101 K381 I390 G393 T394A100-C379 CarbonylContact O-C 3.21Å; A100-C379 WeakPolarHBondContact O-CA 3.33Å; F101-C379 HydrophobicContact CD1-CB 4.22Å; F101-C379 HydrophobicContact CE1-CB 3.61Å; F101-C379 HydrophobicContact CZ-CB 4.25Å; C379-K381 PolarHBondContact SG-O 3.16Å; C379-I390 HydrophobicContact CB-CG2 3.82Å; C379-G393 WeakPolarHBondContact O-CA 3.21Å; C379-G393 PolarHBondContact O-N 2.81Å; C379-T394 WeakPolarHBondContact CB-O 3.31Å; C379-T394 PolarHBondContact N-O 3.12Å
380K95.5Very high95.3Very high59 Ų5944.9 Ų44.926%0.25725%0.25SS..SBendtrans-88.5-13.1-178.4-63-174.7-62.61760114A100 T102 D123 T378 E392A100-K380 PolarHBondContact O-N 3.42Å; T102-K380 WeakPolarHBondContact OG1-CE 3.38Å; T102-K380 PolarHBondContact OG1-NZ 3.47Å; D123-K380 WeakPolarHBondContact OD1-CD 3.45Å; D123-K380 WeakPolarHBondContact OD1-CE 3.41Å; D123-K380 IonicContact OD1-NZ 2.92Å; D123-K380 PolarHBondContact OD1-NZ 3.17Å; T378-K380 PolarHBondContact O-N 3.29Å; K380-E392 WeakPolarHBondContact O-CG 3.23Å
381K95.9Very high95.4Very high137 Ų13745.9 Ų45.960%0.59626%0.257SS*.SBendtrans-151.8135.6-175.5-180179.6176.6-177.40107.6C379 M383C379-K381 PolarHBondContact SG-O 3.16Å; K381-M383 WeakPolarHBondContact O-CG 3.45Å; K381-M383 PolarHBondContact O-N 3.09Å
382T97.2Very high95.5Very high76 Ų7650.4 Ų50.447%0.46628%0.275SS..  trans-56.2129176.2-61.50000110.7T389 I390 E392T382-T389 HydrophobicContact CG2-CG2 4.1Å; T382-I390 VanDerWaalsContact CA-O 3.31Å; T382-I390 WeakPolarHBondContact CA-O 3.43Å; T382-E392 PolarHBondContact OG1-N 2.86Å
383M95.4Very high95.5Very high34 Ų3451 Ų5117%0.16729%0.285CS..EExtended strand (participates in β ladder)trans-136.3150.3-172.6-68.2-93.6-64.700110.6E96 A100 F101 K381 I385 T389 I390E96-M383 HydrophobicContact CB-CE 3.56Å; E96-M383 HydrophobicContact CG-CE 3.36Å; E96-M383 WeakPolarHBondContact OE2-CE 3.43Å; A100-M383 HydrophobicContact CB-CE 3.92Å; A100-M383 HydrophobicContact CB-CG 3.62Å; A100-M383 HydrophobicContact CB-SD 3.77Å; F101-M383 HydrophobicContact CE2-CE 4.27Å; K381-M383 WeakPolarHBondContact O-CG 3.45Å; K381-M383 PolarHBondContact O-N 3.09Å; M383-I385 HydrophobicContact CB-CG1 4.46Å; M383-I385 HydrophobicContact CE-CD1 4.45Å; M383-T389 CarbonylContact O-C 3.56Å; M383-T389 WeakPolarHBondContact O-CA 3.49Å; M383-I390 PolarHBondContact N-O 2.75Å; M383-I390 PolarHBondContact O-N 3.04Å
384E96.1Very high95.6Very high147 Ų14750.1 Ų50.169%0.68728%0.28SS*.EExtended strand (participates in β ladder)trans-110.9122.5168.3-168.1-180156.400109L388E384-L388 WeakPolarHBondContact CA-O 3.32Å
385I95.4Very high95.7Very high9 Ų948.6 Ų48.65%0.04628%0.275CS..EExtended strand (participates in β ladder)trans-130.8115.9-178.4-57.1179000107.7I88 A91 I92 F101 M383 G387 L388 I390I88-I385 HydrophobicContact CB-CG2 4.36Å; I88-I385 HydrophobicContact CG1-CG2 4.22Å; I88-I385 HydrophobicContact CG2-CG2 4.05Å; A91-I385 HydrophobicContact CB-CD1 4.16Å; A91-I385 HydrophobicContact CB-CG2 3.55Å; I92-I385 HydrophobicContact CG1-CD1 4.09Å; F101-I385 HydrophobicContact CE2-CD1 3.72Å; F101-I385 HydrophobicContact CZ-CD1 3.95Å; M383-I385 HydrophobicContact CB-CG1 4.46Å; M383-I385 HydrophobicContact CE-CD1 4.45Å; I385-G387 PolarHBondContact O-N 3.41Å; I385-L388 PolarHBondContact N-O 2.85Å; I385-L388 VanDerWaalsContact O-CB 3.29Å; I385-L388 WeakPolarHBondContact O-CB 3.19Å; I385-L388 PolarHBondContact O-N 3.36Å; I385-I390 HydrophobicContact CD1-CD1 4.12Å
386N91.8Very high95.8Very high114 Ų11447.9 Ų47.961%0.6127%0.271SS*.THydrogen-bonded Turntrans50.342179.9-62.19.4000113.1E87 I88 L388E87-N386 WeakPolarHBondContact CB-ND2 3.38Å; I88-N386 HydrophobicContact CD1-CB 4.44Å; I88-N386 HydrophobicContact CG1-CB 4.07Å; N386-L388 PolarHBondContact O-N 3.15Å
387G90.6Very high95.8Very high62 Ų6246.3 Ų46.364%0.63926%0.264SS*.THydrogen-bonded Turntrans76.90.8-178.200000115.2I385I385-G387 PolarHBondContact O-N 3.41Å
388L94.9Very high95.9Very high16 Ų1646.2 Ų46.28%0.08426%0.263CS..EExtended strand (participates in β ladder)trans-94.5116.1172.2179.466.8000110.1V37 I70 L81 I88 E384 I385 N386 I390V37-L388 HydrophobicContact CG2-CD1 3.83Å; I70-L388 HydrophobicContact CD1-CD2 4.18Å; I70-L388 HydrophobicContact CG2-CD1 4.22Å; I70-L388 HydrophobicContact CG2-CD2 4.04Å; L81-L388 HydrophobicContact CD2-CD2 4.11Å; I88-L388 HydrophobicContact CD1-CD2 4.21Å; E384-L388 WeakPolarHBondContact CA-O 3.32Å; I385-L388 PolarHBondContact N-O 2.85Å; I385-L388 VanDerWaalsContact O-CB 3.29Å; I385-L388 WeakPolarHBondContact O-CB 3.19Å; I385-L388 PolarHBondContact O-N 3.36Å; N386-L388 PolarHBondContact O-N 3.15Å; L388-I390 HydrophobicContact CD2-CD1 4.18Å; L388-I390 HydrophobicContact CD2-CG1 4.06Å; L388-I390 HydrophobicContact CG-CG1 4.02Å
389T96.4Very high95.9Very high65 Ų6544.7 Ų44.740%0.39925%0.254SS..EExtended strand (participates in β ladder)trans-79.8119.5169-51.80000110.1T382 M383 P391T382-T389 HydrophobicContact CG2-CG2 4.1Å; M383-T389 CarbonylContact O-C 3.56Å; M383-T389 WeakPolarHBondContact O-CA 3.49Å; T389-P391 WeakPolarHBondContact O-CD 3.37Å
390I97.3Very high95.9Very high0 Ų044.7 Ų44.70%025%0.254CS..EExtended strand (participates in β ladder)trans-108.8105174.8-52.6179.7000107.7L81 I92 F101 C379 T382 M383 I385 L388 T394 V396L81-I390 HydrophobicContact CD2-CD1 4.15Å; L81-I390 HydrophobicContact CD2-CG1 3.92Å; L81-I390 HydrophobicContact CD2-CG2 4.21Å; I92-I390 HydrophobicContact CD1-CD1 4.23Å; F101-I390 HydrophobicContact CE1-CG2 4.45Å; F101-I390 HydrophobicContact CZ-CD1 4.06Å; C379-I390 HydrophobicContact CB-CG2 3.82Å; T382-I390 VanDerWaalsContact CA-O 3.31Å; T382-I390 WeakPolarHBondContact CA-O 3.43Å; M383-I390 PolarHBondContact N-O 2.75Å; M383-I390 PolarHBondContact O-N 3.04Å; I385-I390 HydrophobicContact CD1-CD1 4.12Å; L388-I390 HydrophobicContact CD2-CD1 4.18Å; L388-I390 HydrophobicContact CD2-CG1 4.06Å; L388-I390 HydrophobicContact CG-CG1 4.02Å; I390-T394 HydrophobicContact CG2-CG2 4.13Å; I390-V396 HydrophobicContact CG2-CG2 4.09Å
391P96.8Very high95.9Very high25 Ų2542.5 Ų42.516%0.16224%0.244CC..  trans-63.9152.7177.8-23.934.8000113.2F31 I35 T389 T394F31-P391 HydrophobicContact CE2-CB 4.16Å; F31-P391 HydrophobicContact CE2-CG 3.93Å; F31-P391 HydrophobicContact CZ-CB 4.12Å; F31-P391 HydrophobicContact CZ-CG 3.73Å; I35-P391 HydrophobicContact CG2-CG 3.81Å; T389-P391 WeakPolarHBondContact O-CD 3.37Å; P391-T394 WeakPolarHBondContact O-CB 3.37Å; P391-T394 PolarHBondContact O-N 3.34Å; P391-T394 PolarHBondContact O-OG1 2.92Å
392E96.3Very high95.9Very high132 Ų13236.1 Ų36.162%0.61722%0.217SC*.THydrogen-bonded Turntrans-51.6142.6167.5179.4175.1168.700112.2K380 T382 T394K380-E392 WeakPolarHBondContact O-CG 3.23Å; T382-E392 PolarHBondContact OG1-N 2.86Å; E392-T394 PolarHBondContact O-N 3.43Å
393G93.2Very high95.9Very high53 Ų5332.5 Ų32.555%0.54620%0.195SC..THydrogen-bonded Turntrans80.2-8.9-177.100000114.4C379 L395C379-G393 WeakPolarHBondContact O-CA 3.21Å; C379-G393 PolarHBondContact O-N 2.81Å; G393-L395 PolarHBondContact O-N 3.03Å
394T95.3Very high96Very high1 Ų130.9 Ų30.91%0.00619%0.187CC..  trans-66.7125.9-179.9-53.90000110.7F31 L81 C379 I390 P391 E392F31-T394 HydrophobicContact CE1-CG2 4.22Å; F31-T394 HydrophobicContact CZ-CG2 4.33Å; F31-T394 WeakPolarHBondContact CZ-OG1 3.24Å; L81-T394 HydrophobicContact CB-CG2 3.89Å; L81-T394 HydrophobicContact CD2-CG2 4.37Å; C379-T394 WeakPolarHBondContact CB-O 3.31Å; C379-T394 PolarHBondContact N-O 3.12Å; I390-T394 HydrophobicContact CG2-CG2 4.13Å; P391-T394 WeakPolarHBondContact O-CB 3.37Å; P391-T394 PolarHBondContact O-N 3.34Å; P391-T394 PolarHBondContact O-OG1 2.92Å; E392-T394 PolarHBondContact O-N 3.43Å
395L96.8Very high96Very high6 Ų626.3 Ų26.33%0.03117%0.165CC..EExtended strand (participates in β ladder)trans-80.5127168.4-17566.3000109.1L80 L81 R105 E376 G393L80-L395 CarbonylContact C-O 3.59Å; L80-L395 WeakPolarHBondContact CA-O 3.43Å; L80-L395 HydrophobicContact CD1-CB 4.37Å; L80-L395 HydrophobicContact CD1-CD2 3.87Å; L80-L395 HydrophobicContact CD1-CG 3.8Å; L81-L395 PolarHBondContact N-O 3.37Å; R105-L395 HydrophobicContact CB-CD1 3.83Å; R105-L395 HydrophobicContact CB-CD2 4.04Å; E376-L395 HydrophobicContact CB-CD1 4.18Å; G393-L395 PolarHBondContact O-N 3.03Å
396V98.1Very high96Very high1 Ų126.3 Ų26.31%0.00617%0.165CC..EExtended strand (participates in β ladder)trans-109.2126.5176.9-173.20000109.4L81 V83 I92 F101 E376 R377 I390L81-V396 HydrophobicContact CB-CG2 4.43Å; L81-V396 HydrophobicContact CD2-CG2 4.29Å; L81-V396 CarbonylContact O-C 3.57Å; L81-V396 VanDerWaalsContact O-CA 3.24Å; L81-V396 WeakPolarHBondContact O-CA 3.47Å; L81-V396 WeakPolarHBondContact O-CG1 3.31Å; V83-V396 HydrophobicContact CB-CG1 4.3Å; V83-V396 HydrophobicContact CG2-CG1 3.69Å; I92-V396 HydrophobicContact CD1-CB 4.43Å; I92-V396 HydrophobicContact CD1-CG1 3.68Å; F101-V396 HydrophobicContact CE1-CG2 4.04Å; E376-V396 CarbonylContact C-O 3.46Å; E376-V396 WeakPolarHBondContact CA-O 3.4Å; R377-V396 PolarHBondContact N-O 2.84Å; R377-V396 PolarHBondContact O-N 3Å; I390-V396 HydrophobicContact CG2-CG2 4.09Å
397G97.7Very high96.2Very high1 Ų125.7 Ų25.71%0.0117%0.167CC..EExtended strand (participates in β ladder)trans-108142.4175.200000111.7L81 M82 V83 L375L81-G397 PolarHBondContact O-N 2.86Å; M82-G397 CarbonylContact C-O 3.51Å; M82-G397 WeakPolarHBondContact CA-O 3.43Å; V83-G397 PolarHBondContact N-O 2.72Å; L375-G397 CarbonylContact O-C 3.58Å; L375-G397 WeakPolarHBondContact O-CA 3.12Å
398I98.4Very high96.4Very high1 Ų128.6 Ų28.61%0.00516%0.159CC..EExtended strand (participates in β ladder)trans-120115.2178-59.7166000107.5I89 L93 R374 L375 V400 L403 M435I89-I398 HydrophobicContact CD1-CG2 3.82Å; I89-I398 HydrophobicContact CG1-CD1 4.32Å; I89-I398 HydrophobicContact CG1-CG1 4.25Å; I89-I398 HydrophobicContact CG1-CG2 3.98Å; I89-I398 HydrophobicContact CG2-CD1 4.29Å; L93-I398 HydrophobicContact CD1-CD1 3.69Å; L93-I398 HydrophobicContact CD2-CD1 3.65Å; L93-I398 HydrophobicContact CG-CD1 3.61Å; R374-I398 CarbonylContact C-O 3.38Å; R374-I398 VanDerWaalsContact CA-O 3.23Å; R374-I398 WeakPolarHBondContact CA-O 3.09Å; L375-I398 HydrophobicContact CB-CB 4.27Å; L375-I398 PolarHBondContact N-O 3.15Å; L375-I398 PolarHBondContact O-N 3.36Å; I398-V400 PolarHBondContact O-N 2.68Å; I398-L403 HydrophobicContact CG2-CD1 3.82Å; I398-M435 HydrophobicContact CG2-CE 3.82Å; I398-M435 HydrophobicContact CG2-SD 3.86Å
399P97.3Very high96.3Very high0 Ų031 Ų310%017%0.167CC..  trans-82.678.2-174.135.2-34.3000110.7W71 M82 V83 A84 H401 L402 L403W71-P399 HydrophobicContact CH2-CB 4.4Å; W71-P399 HydrophobicContact CH2-CG 3.82Å; M82-P399 HydrophobicContact CE-CB 3.82Å; M82-P399 HydrophobicContact CE-CG 4.21Å; V83-P399 WeakPolarHBondContact O-CD 3.36Å; A84-P399 HydrophobicContact CB-CG 4.03Å; P399-H401 VanDerWaalsContact C-N 3.25Å; P399-H401 PolarHBondContact O-N 2.83Å; P399-L402 HydrophobicContact CB-CB 4.1Å; P399-L402 HydrophobicContact CB-CD1 3.83Å; P399-L402 HydrophobicContact CB-CG 3.97Å; P399-L402 HydrophobicContact CG-CB 4.27Å; P399-L402 HydrophobicContact CG-CD1 3.99Å; P399-L402 HydrophobicContact CG-CG 4.45Å; P399-L402 WeakPolarHBondContact O-CB 3.3Å; P399-L402 PolarHBondContact O-N 3.1Å; P399-L403 PolarHBondContact O-N 3.03Å; P399-L403 VanDerWaalsContact O-N 3.16Å
400V97.6Very high96.3Very high0 Ų028.2 Ų28.20%015%0.149CC..Hα-helixtrans-49-46.7-179.1-179.90000112.1P370 P373 L375 I398 L402 L403 H404 M435P370-V400 HydrophobicContact CB-CG1 4.33Å; P370-V400 HydrophobicContact CG-CG1 4.49Å; P373-V400 PolarHBondContact O-N 3.32Å; P373-V400 VanDerWaalsContact O-N 3.1Å; L375-V400 HydrophobicContact CD1-CG2 3.99Å; L375-V400 HydrophobicContact CD2-CG2 4.41Å; L375-V400 HydrophobicContact CG-CG2 3.6Å; I398-V400 PolarHBondContact O-N 2.68Å; V400-L402 VanDerWaalsContact C-N 3.27Å; V400-L402 PolarHBondContact O-N 3.19Å; V400-L403 PolarHBondContact O-N 3.41Å; V400-H404 VanDerWaalsContact CG1-CE1 3.42Å; V400-H404 WeakPolarHBondContact CG1-CE1 3.48Å; V400-H404 WeakPolarHBondContact CG1-NE2 3.31Å; V400-H404 WeakPolarHBondContact O-CB 3.15Å; V400-H404 PolarHBondContact O-CD2 3.34Å; V400-H404 PolarHBondContact O-N 2.68Å; V400-M435 HydrophobicContact CB-CG 4.38Å; V400-M435 HydrophobicContact CG1-CG 3.92Å; V400-M435 HydrophobicContact CG2-CG 3.79Å; V400-M435 HydrophobicContact CG2-SD 4Å
401H95.7Very high96.1Very high12 Ų1232.2 Ų32.26%0.05618%0.177CC..Hα-helixtrans-63.7-28.4-178.973.8-81.1000114L57 D60 P370 P373 P399L57-H401 WeakPolarHBondContact CA-NE2 3.48Å; L57-H401 HydrophobicContact CD2-CB 3.85Å; L57-H401 WeakPolarHBondContact CD2-CD2 3.38Å; D60-H401 IonicContact OD2-CE1 3.9Å; D60-H401 PolarHBondContact OD2-CE1 3.4Å; D60-H401 VanDerWaalsContact OD2-CE1 3.25Å; P370-H401 HydrophobicContact CG-CB 4.04Å; P373-H401 HydrophobicContact CB-CB 4.2Å; P373-H401 PolarHBondContact O-N 3.43Å; P373-H401 PolarHBondContact O-ND1 3.37Å; P399-H401 VanDerWaalsContact C-N 3.25Å; P399-H401 PolarHBondContact O-N 2.83Å
402L96.1Very high96Very high4 Ų434.2 Ų34.22%0.02119%0.192CC..Hα-helixtrans-74.3-48.8174.4-69.6-175.6000110.1D60 R61 Q64 W71 P399 V400 H404 K405 D406D60-L402 HydrophobicContact CB-CD1 3.77Å; D60-L402 HydrophobicContact CB-CD2 4.39Å; D60-L402 HydrophobicContact CB-CG 4.14Å; R61-L402 HydrophobicContact CB-CD2 3.71Å; R61-L402 HydrophobicContact CG-CD2 4.3Å; Q64-L402 HydrophobicContact CB-CD1 3.97Å; W71-L402 HydrophobicContact CH2-CD1 3.88Å; W71-L402 HydrophobicContact CZ2-CD1 4.47Å; P399-L402 HydrophobicContact CB-CB 4.1Å; P399-L402 HydrophobicContact CB-CD1 3.83Å; P399-L402 HydrophobicContact CB-CG 3.97Å; P399-L402 HydrophobicContact CG-CB 4.27Å; P399-L402 HydrophobicContact CG-CD1 3.99Å; P399-L402 HydrophobicContact CG-CG 4.45Å; P399-L402 WeakPolarHBondContact O-CB 3.3Å; P399-L402 PolarHBondContact O-N 3.1Å; V400-L402 VanDerWaalsContact C-N 3.27Å; V400-L402 PolarHBondContact O-N 3.19Å; L402-H404 PolarHBondContact O-N 2.8Å; L402-K405 CarbonylContact O-C 3.58Å; L402-K405 WeakPolarHBondContact O-CA 3.43Å; L402-K405 PolarHBondContact O-N 3.2Å; L402-D406 PolarHBondContact O-N 3.06Å
403L97.6Very high96Very high0 Ų029 Ų290%017%0.17CC..Hα-helixtrans-58.4-39.6179.4-69.6166.9000111.7A84 I89 I398 P399 V400 K405 D406 Y409 W410 A433 M435A84-L403 HydrophobicContact CB-CD2 4.2Å; A84-L403 VanDerWaalsContact O-CD2 3.31Å; A84-L403 WeakPolarHBondContact O-CD2 3.27Å; I89-L403 HydrophobicContact CD1-CD1 3.53Å; I89-L403 HydrophobicContact CD1-CD2 4.39Å; I398-L403 HydrophobicContact CG2-CD1 3.82Å; P399-L403 PolarHBondContact O-N 3.03Å; P399-L403 VanDerWaalsContact O-N 3.16Å; V400-L403 PolarHBondContact O-N 3.41Å; L403-K405 PolarHBondContact O-N 3.4Å; L403-D406 PolarHBondContact O-N 3.16Å; L403-Y409 HydrophobicContact CD2-CE2 4.31Å; L403-W410 VanDerWaalsContact O-CD1 3.3Å; L403-W410 PolarHBondContact O-NE1 3.21Å; L403-A433 CarbonylContact C-O 3.47Å; L403-M435 HydrophobicContact CD1-CE 3.37Å
404H97.3Very high96.1Very high0 Ų030.8 Ų30.80%016%0.164CC..THydrogen-bonded Turntrans-64.8-19.1175.9-76.3-159000113.6Q366 R367 V400 L402 W410 A433 Y434 M435Q366-H404 PolarHBondContact O-ND1 2.97Å; R367-H404 WeakPolarHBondContact CA-ND1 3.41Å; R367-H404 WeakPolarHBondContact CD-O 3Å; R367-H404 HydrophobicContact CG-CB 3.9Å; R367-H404 VanDerWaalsContact CG-O 3.28Å; R367-H404 WeakPolarHBondContact CG-O 3.28Å; R367-H404 PolarHBondContact NH1-O 2.92Å; R367-H404 WeakPolarHBondContact O-CB 3.43Å; R367-H404 PolarHBondContact O-ND1 2.97Å; V400-H404 VanDerWaalsContact CG1-CE1 3.42Å; V400-H404 WeakPolarHBondContact CG1-CE1 3.48Å; V400-H404 WeakPolarHBondContact CG1-NE2 3.31Å; V400-H404 WeakPolarHBondContact O-CB 3.15Å; V400-H404 PolarHBondContact O-CD2 3.34Å; V400-H404 PolarHBondContact O-N 2.68Å; L402-H404 PolarHBondContact O-N 2.8Å; H404-W410 VanDerWaalsContact O-CD1 3.29Å; H404-W410 PolarHBondContact O-NE1 3.33Å; H404-A433 PolarHBondContact CD2-O 3.06Å; H404-Y434 AromaticContact NE2-CD2 3.92Å; H404-M435 PolarHBondContact NE2-N 2.8Å
405K95.4Very high96.1Very high51 Ų5133.3 Ų33.322%0.22218%0.181CC..THydrogen-bonded Turntrans-118.713.6-179.4-66.6-170.9168.5-153.50113.1M368 L402 L403 P413 E414M368-K405 WeakPolarHBondContact O-CE 3.23Å; L402-K405 CarbonylContact O-C 3.58Å; L402-K405 WeakPolarHBondContact O-CA 3.43Å; L402-K405 PolarHBondContact O-N 3.2Å; L403-K405 PolarHBondContact O-N 3.4Å; K405-P413 HydrophobicContact CB-CB 4.43Å; K405-P413 WeakPolarHBondContact O-CB 3.2Å; K405-P413 WeakPolarHBondContact O-CG 3.43Å; K405-E414 WeakPolarHBondContact CE-OE2 3.47Å; K405-E414 IonicContact NZ-OE2 2.77Å; K405-E414 PolarHBondContact NZ-OE2 2.98Å
406D95.6Very high96.2Very high9 Ų933.7 Ų33.75%0.04818%0.183CC..  trans-77.8121.1-177.3-165.6-43.6000111.1L402 L403 R408 Y409 W410L402-D406 PolarHBondContact O-N 3.06Å; L403-D406 PolarHBondContact O-N 3.16Å; D406-R408 VanDerWaalsContact CG-NE 3.32Å; D406-R408 PolarHBondContact O-N 3.01Å; D406-R408 VanDerWaalsContact O-N 3.07Å; D406-R408 WeakPolarHBondContact OD1-CB 3.44Å; D406-R408 WeakPolarHBondContact OD1-CG 3.25Å; D406-R408 IonicContact OD1-CZ 3.64Å; D406-R408 PolarHBondContact OD1-N 2.93Å; D406-R408 IonicContact OD1-NE 3.97Å; D406-R408 PolarHBondContact OD1-NE 3.37Å; D406-R408 IonicContact OD2-CZ 3.1Å; D406-R408 IonicContact OD2-NE 2.98Å; D406-R408 PolarHBondContact OD2-NE 3.1Å; D406-R408 IonicContact OD2-NH2 2.72Å; D406-R408 PolarHBondContact OD2-NH2 2.75Å; D406-Y409 HydrophobicContact CB-CD2 3.82Å; D406-Y409 HydrophobicContact CB-CE2 4.24Å; D406-Y409 PolarHBondContact O-N 2.88Å; D406-W410 PolarHBondContact O-N 3.34Å
407P95.3Very high96.1Very high101 Ų10137.4 Ų37.466%0.65620%0.199SC*.THydrogen-bonded Turntrans-64-14.7-178.727.6-35.7000113.7Y409 P413P407-Y409 VanDerWaalsContact C-N 3.26Å; P407-Y409 PolarHBondContact O-N 3.09Å; P407-P413 HydrophobicContact CB-CG 4.34Å
408R94.5Very high96.2Very high122 Ų12237.4 Ų37.446%0.4620%0.198SC..THydrogen-bonded Turntrans-66.9-27.3173.1-63.1177.1-68.4-179.5-3.6112.8D69 D406D69-R408 IonicContact OD1-CZ 3.81Å; D69-R408 IonicContact OD1-NH1 2.98Å; D69-R408 IonicContact OD1-NH2 3.2Å; D69-R408 PolarHBondContact OD1-NH2 2.92Å; D69-R408 IonicContact OD2-CZ 3.66Å; D69-R408 IonicContact OD2-NH1 2.65Å; D69-R408 PolarHBondContact OD2-NH1 3.26Å; D69-R408 IonicContact OD2-NH2 2.66Å; D69-R408 PolarHBondContact OD2-NH2 3.4Å; D406-R408 VanDerWaalsContact CG-NE 3.32Å; D406-R408 PolarHBondContact O-N 3.01Å; D406-R408 VanDerWaalsContact O-N 3.07Å; D406-R408 WeakPolarHBondContact OD1-CB 3.44Å; D406-R408 WeakPolarHBondContact OD1-CG 3.25Å; D406-R408 IonicContact OD1-CZ 3.64Å; D406-R408 PolarHBondContact OD1-N 2.93Å; D406-R408 IonicContact OD1-NE 3.97Å; D406-R408 PolarHBondContact OD1-NE 3.37Å; D406-R408 IonicContact OD2-CZ 3.1Å; D406-R408 IonicContact OD2-NE 2.98Å; D406-R408 PolarHBondContact OD2-NE 3.1Å; D406-R408 IonicContact OD2-NH2 2.72Å; D406-R408 PolarHBondContact OD2-NH2 2.75Å
409Y94.8Very high96.1Very high66 Ų6641.3 Ų41.326%0.25922%0.217SC..THydrogen-bonded Turntrans-114.8-18.4-177.2-48.9-58.3000112.7P86 L403 D406 P407 N430 A433P86-Y409 WeakPolarHBondContact CD-OH 3.11Å; P86-Y409 HydrophobicContact CG-CE1 4.21Å; P86-Y409 HydrophobicContact CG-CE2 4.29Å; P86-Y409 WeakPolarHBondContact CG-OH 3.3Å; L403-Y409 HydrophobicContact CD2-CE2 4.31Å; D406-Y409 HydrophobicContact CB-CD2 3.82Å; D406-Y409 HydrophobicContact CB-CE2 4.24Å; D406-Y409 PolarHBondContact O-N 2.88Å; P407-Y409 VanDerWaalsContact C-N 3.26Å; P407-Y409 PolarHBondContact O-N 3.09Å; Y409-N430 HydrophobicContact CD1-CB 4.23Å; Y409-A433 HydrophobicContact CD1-CB 4.22Å; Y409-A433 HydrophobicContact CD2-CB 3.43Å; Y409-A433 VanDerWaalsContact CD2-CB 3.43Å; Y409-A433 HydrophobicContact CE2-CB 4.11Å; Y409-A433 HydrophobicContact CG-CB 3.53Å
410W95.3Very high96Very high7 Ų742.4 Ų42.43%0.02722%0.221CC..SBendtrans-133.1113.7-172.8-48.1102.3000111.7R367 L403 H404 D406 S412 P413 F421 L429 Y434R367-W410 VanDerWaalsContact CD-CD2 3.5Å; R367-W410 VanDerWaalsContact CD-CE3 3.41Å; R367-W410 VanDerWaalsContact CD-CZ3 3.47Å; R367-W410 HydrophobicContact CG-CD2 4.49Å; R367-W410 HydrophobicContact CG-CH2 4.17Å; R367-W410 HydrophobicContact CG-CZ2 4.04Å; R367-W410 HydrophobicContact CG-CZ3 4.47Å; L403-W410 VanDerWaalsContact O-CD1 3.3Å; L403-W410 PolarHBondContact O-NE1 3.21Å; H404-W410 VanDerWaalsContact O-CD1 3.29Å; H404-W410 PolarHBondContact O-NE1 3.33Å; D406-W410 PolarHBondContact O-N 3.34Å; W410-S412 PolarHBondContact O-N 2.98Å; W410-P413 HydrophobicContact CB-CB 4.04Å; W410-P413 WeakPolarHBondContact O-CD 3.48Å; W410-F421 HydrophobicContact CH2-CE1 4.21Å; W410-F421 AromaticContact CH2-CZ 3.77Å; W410-F421 HydrophobicContact CH2-CZ 3.77Å; W410-F421 HydrophobicContact CZ3-CE1 4.41Å; W410-F421 HydrophobicContact CZ3-CE2 4.38Å; W410-F421 AromaticContact CZ3-CZ 3.86Å; W410-F421 HydrophobicContact CZ3-CZ 3.86Å; W410-L429 HydrophobicContact CH2-CD2 4.08Å; W410-L429 HydrophobicContact CZ3-CD2 3.7Å; W410-Y434 AromaticContact CH2-CD2 3.98Å; W410-Y434 HydrophobicContact CH2-CD2 3.98Å; W410-Y434 HydrophobicContact CH2-CG 4.06Å; W410-Y434 HydrophobicContact CZ2-CD2 4.19Å; W410-Y434 HydrophobicContact CZ2-CG 4.35Å
411S93.6Very high95.9Very high84 Ų8443.7 Ų43.759%0.58723%0.227SC*.SBendtrans-69.1122176.457.50000111.8R420S411-R420 PolarHBondContact O-NH1 3.38Å; S411-R420 PolarHBondContact O-NH2 2.81Å; S411-R420 PolarHBondContact OG-NH1 3.35Å
412S95.1Very high95.9Very high67 Ų6743.7 Ų43.747%0.46923%0.228SC..SBendtrans55.562.9-171.1-46.10000112.3W410 E414 S415 R420W410-S412 PolarHBondContact O-N 2.98Å; S412-E414 PolarHBondContact O-N 3.23Å; S412-E414 VanDerWaalsContact O-N 3.11Å; S412-S415 PolarHBondContact O-N 3.16Å; S412-S415 VanDerWaalsContact O-N 3.08Å; S412-R420 PolarHBondContact O-NH2 3.34Å
413P95.5Very high95.7Very high24 Ų2449.5 Ų49.516%0.15625%0.253CS..THydrogen-bonded Turntrans-63.5-22-166.323.6-33.3000114.7R367 K405 P407 W410R367-P413 PolarHBondContact NH1-O 2.92Å; R367-P413 PolarHBondContact NH2-O 3.02Å; K405-P413 HydrophobicContact CB-CB 4.43Å; K405-P413 WeakPolarHBondContact O-CB 3.2Å; K405-P413 WeakPolarHBondContact O-CG 3.43Å; P407-P413 HydrophobicContact CB-CG 4.34Å; W410-P413 HydrophobicContact CB-CB 4.04Å; W410-P413 WeakPolarHBondContact O-CD 3.48Å
414E94.9Very high95.4Very high90 Ų9056.5 Ų56.542%0.42129%0.286SS..THydrogen-bonded Turntrans-88.8-6.1-179.3-55.8-66.6169.300112.8R61 M368 K405 S412R61-E414 IonicContact CZ-OE1 3.86Å; R61-E414 IonicContact NH1-OE1 3.89Å; R61-E414 PolarHBondContact NH1-OE1 3.21Å; R61-E414 VanDerWaalsContact NH1-OE1 3.12Å; R61-E414 IonicContact NH2-OE1 2.75Å; R61-E414 PolarHBondContact NH2-OE1 3.26Å; M368-E414 VanDerWaalsContact CE-O 3.24Å; M368-E414 WeakPolarHBondContact CE-O 3.37Å; K405-E414 WeakPolarHBondContact CE-OE2 3.47Å; K405-E414 IonicContact NZ-OE2 2.77Å; K405-E414 PolarHBondContact NZ-OE2 2.98Å; S412-E414 PolarHBondContact O-N 3.23Å; S412-E414 VanDerWaalsContact O-N 3.11Å
415S96.3Very high95.1Very high53 Ų5359.4 Ų59.437%0.37130%0.301SS..SBendtrans-90.3136.7176.3-55.60000111.4E364 R367 S412 K417E364-S415 VanDerWaalsContact OE1-O 3.12Å; R367-S415 PolarHBondContact NH2-O 2.8Å; R367-S415 VanDerWaalsContact NH2-O 3.17Å; S412-S415 PolarHBondContact O-N 3.16Å; S412-S415 VanDerWaalsContact O-N 3.08Å; S415-K417 PolarHBondContact O-N 2.66Å
416F97.9Very high94.6Very high15 Ų1563.2 Ų63.27%0.06632%0.319CS..  trans-77.3106.1173.8-166.1-92.4000110.1N322 N326 V329 V361 E364 M368 P418N322-F416 HydrophobicContact CB-CD2 3.95Å; N322-F416 HydrophobicContact CB-CE2 3.53Å; N322-F416 HydrophobicContact CB-CZ 4.06Å; N326-F416 HydrophobicContact CB-CD1 4.23Å; V329-F416 HydrophobicContact CG1-CD1 4.29Å; V329-F416 HydrophobicContact CG1-CE1 3.85Å; V329-F416 HydrophobicContact CG2-CD1 4.24Å; V361-F416 HydrophobicContact CG1-CZ 4.26Å; E364-F416 HydrophobicContact CB-CE2 4.1Å; E364-F416 HydrophobicContact CB-CZ 4.07Å; E364-F416 HydrophobicContact CG-CD1 4.24Å; E364-F416 HydrophobicContact CG-CD2 3.72Å; E364-F416 HydrophobicContact CG-CE1 4.25Å; E364-F416 HydrophobicContact CG-CE2 3.7Å; E364-F416 HydrophobicContact CG-CG 3.97Å; E364-F416 HydrophobicContact CG-CZ 3.97Å; M368-F416 HydrophobicContact CG-CD2 3.92Å; F416-P418 HydrophobicContact CD1-CG 4.15Å; F416-P418 HydrophobicContact CE1-CG 3.73Å
417K97.3Very high94Very high79 Ų7972.2 Ų72.234%0.34336%0.358SS..  trans-132.991.6-178.8-61.1-174.3-177.3179.20110.6E364 S415 E419 R420E364-K417 PolarHBondContact OE1-N 3.21Å; S415-K417 PolarHBondContact O-N 2.66Å; K417-E419 PolarHBondContact O-N 3.07Å; K417-R420 HydrophobicContact CB-CG 4.26Å; K417-R420 VanDerWaalsContact O-CG 3.31Å; K417-R420 WeakPolarHBondContact O-CG 3.31Å; K417-R420 PolarHBondContact O-N 2.96Å
418P98.1Very high93.4Very high0 Ų073.6 Ų73.60%036%0.36CS..G310 helixtrans-52.4-34.5177.9-27.836000113.7V329 Y357 Q360 V361 F416 R420 F421V329-P418 HydrophobicContact CG1-CG 3.56Å; V329-P418 HydrophobicContact CG2-CG 4.26Å; Y357-P418 HydrophobicContact CE2-CB 3.9Å; Y357-P418 HydrophobicContact CE2-CG 4.43Å; Q360-P418 HydrophobicContact CB-CB 3.79Å; Q360-P418 WeakPolarHBondContact CB-O 3.42Å; V361-P418 HydrophobicContact CG2-CB 3.99Å; V361-P418 HydrophobicContact CG2-CG 3.72Å; F416-P418 HydrophobicContact CD1-CG 4.15Å; F416-P418 HydrophobicContact CE1-CG 3.73Å; P418-R420 PolarHBondContact O-N 3.38Å; P418-F421 PolarHBondContact O-N 2.74Å
419E96.4Very high93.2Very high83 Ų8370 Ų7039%0.38835%0.35SS..G310 helixtrans-59.6-17.3-173.9-57.877.5-170.800113Y357 K417 F421 S422 N425Y357-E419 PolarHBondContact OH-OE1 3.42Å; K417-E419 PolarHBondContact O-N 3.07Å; E419-F421 PolarHBondContact O-N 2.72Å; E419-S422 VanDerWaalsContact O-CB 3.29Å; E419-S422 WeakPolarHBondContact O-CB 3.34Å; E419-S422 PolarHBondContact O-N 3.02Å; E419-S422 VanDerWaalsContact O-N 3.09Å; E419-S422 PolarHBondContact O-OG 2.75Å; E419-N425 PolarHBondContact O-ND2 3.15Å
420R95.6Very high93.1Very high23 Ų2369 Ų699%0.08735%0.349CS..G310 helixtrans-56.3-30.7170.7-65.5177.6-164.2-70.7-0113.2E364 S411 S412 K417 P418 N425E364-R420 IonicContact OE1-NE 2.98Å; E364-R420 PolarHBondContact OE1-NE 3.1Å; E364-R420 IonicContact OE2-NE 3.74Å; S411-R420 PolarHBondContact O-NH1 3.38Å; S411-R420 PolarHBondContact O-NH2 2.81Å; S411-R420 PolarHBondContact OG-NH1 3.35Å; S412-R420 PolarHBondContact O-NH2 3.34Å; K417-R420 HydrophobicContact CB-CG 4.26Å; K417-R420 VanDerWaalsContact O-CG 3.31Å; K417-R420 WeakPolarHBondContact O-CG 3.31Å; K417-R420 PolarHBondContact O-N 2.96Å; P418-R420 PolarHBondContact O-N 3.38Å; R420-N425 WeakPolarHBondContact O-CB 3.46Å
421F96.8Very high93Very high28 Ų2872 Ų7212%0.12337%0.369CS..G310 helixtrans-99.314.6-178.1-65.3-80.9000112.2Q360 C363 E364 R367 W410 P418 E419 L429 Y434Q360-F421 HydrophobicContact CB-CB 4.37Å; Q360-F421 HydrophobicContact CG-CB 4.11Å; Q360-F421 WeakPolarHBondContact CG-O 3.4Å; C363-F421 HydrophobicContact CB-CB 4.07Å; C363-F421 HydrophobicContact CB-CD1 3.63Å; C363-F421 HydrophobicContact CB-CD2 3.64Å; C363-F421 HydrophobicContact CB-CE1 3.9Å; C363-F421 HydrophobicContact CB-CE2 3.91Å; C363-F421 HydrophobicContact CB-CG 3.48Å; C363-F421 VanDerWaalsContact CB-CG 3.48Å; C363-F421 HydrophobicContact CB-CZ 4.04Å; E364-F421 HydrophobicContact CB-CD2 4.15Å; E364-F421 HydrophobicContact CB-CE2 4.11Å; E364-F421 WeakPolarHBondContact OE2-CE2 3.43Å; R367-F421 HydrophobicContact CB-CE2 4.34Å; R367-F421 HydrophobicContact CB-CZ 4.25Å; W410-F421 HydrophobicContact CH2-CE1 4.21Å; W410-F421 AromaticContact CH2-CZ 3.77Å; W410-F421 HydrophobicContact CH2-CZ 3.77Å; W410-F421 HydrophobicContact CZ3-CE1 4.41Å; W410-F421 HydrophobicContact CZ3-CE2 4.38Å; W410-F421 AromaticContact CZ3-CZ 3.86Å; W410-F421 HydrophobicContact CZ3-CZ 3.86Å; P418-F421 PolarHBondContact O-N 2.74Å; E419-F421 PolarHBondContact O-N 2.72Å; F421-L429 HydrophobicContact CD1-CD1 3.73Å; F421-L429 HydrophobicContact CD1-CD2 4.49Å; F421-L429 HydrophobicContact CE1-CD1 4.09Å; F421-L429 HydrophobicContact CE1-CD2 4.33Å; F421-Y434 HydrophobicContact CD1-CE1 4.43Å; F421-Y434 AromaticContact CE1-CD1 3.76Å; F421-Y434 HydrophobicContact CE1-CD1 3.76Å; F421-Y434 HydrophobicContact CE1-CD2 4.01Å; F421-Y434 AromaticContact CE1-CE1 3.59Å; F421-Y434 HydrophobicContact CE1-CE1 3.59Å; F421-Y434 AromaticContact CE1-CE2 3.87Å; F421-Y434 HydrophobicContact CE1-CE2 3.87Å; F421-Y434 AromaticContact CE1-CG 3.95Å; F421-Y434 HydrophobicContact CE1-CG 3.95Å; F421-Y434 AromaticContact CE1-CZ 3.65Å; F421-Y434 HydrophobicContact CZ-CD1 4.36Å; F421-Y434 AromaticContact CZ-CD2 3.76Å; F421-Y434 HydrophobicContact CZ-CD2 3.76Å; F421-Y434 HydrophobicContact CZ-CE1 4.16Å; F421-Y434 AromaticContact CZ-CE2 3.55Å; F421-Y434 HydrophobicContact CZ-CE2 3.55Å; F421-Y434 HydrophobicContact CZ-CG 4.17Å; F421-Y434 AromaticContact CZ-CZ 3.75Å
422S95.6Very high93.2Very high11 Ų1169.8 Ų69.88%0.07735%0.348CS..SBendtrans-66.8157.7171.786.70000110.8E419 E424 N425 E426E419-S422 VanDerWaalsContact O-CB 3.29Å; E419-S422 WeakPolarHBondContact O-CB 3.34Å; E419-S422 PolarHBondContact O-N 3.02Å; E419-S422 VanDerWaalsContact O-N 3.09Å; E419-S422 PolarHBondContact O-OG 2.75Å; S422-E424 WeakPolarHBondContact CB-OE2 3.44Å; S422-E424 PolarHBondContact O-N 2.87Å; S422-E424 PolarHBondContact OG-OE2 3.43Å; S422-N425 PolarHBondContact O-N 3.34Å; S422-N425 VanDerWaalsContact O-N 3.08Å; S422-N425 PolarHBondContact OG-ND2 3.22Å; S422-E426 PolarHBondContact O-N 3.36Å
423K91.9Very high93.2Very high127 Ų12766.6 Ų66.655%0.55233%0.326SS*.THydrogen-bonded Turntrans-60.3-30.2179.9-70.4175.6-179.3157.50112.4E356 N425E356-K423 IonicContact OE1-NZ 3.02Å; E356-K423 PolarHBondContact OE1-NZ 3.37Å; E356-K423 WeakPolarHBondContact OE2-CE 3.32Å; E356-K423 IonicContact OE2-NZ 3.99Å; E356-K423 PolarHBondContact OE2-NZ 3.04Å; K423-N425 VanDerWaalsContact C-N 3.32Å
424E91Very high93.3Very high147 Ų14767.4 Ų67.469%0.68733%0.326SS*.THydrogen-bonded Turntrans-66.1-35.8177.7-59.173.5-157.300111.9S422S422-E424 WeakPolarHBondContact CB-OE2 3.44Å; S422-E424 PolarHBondContact O-N 2.87Å; S422-E424 PolarHBondContact OG-OE2 3.43Å
425N89.5Confident93.4Very high60 Ų6063.2 Ų63.232%0.32131%0.306SS..THydrogen-bonded Turntrans-93.5-4.2-176.1-67.1-32.4000113.3E419 R420 S422 K423 K427 D428E419-N425 PolarHBondContact O-ND2 3.15Å; R420-N425 WeakPolarHBondContact O-CB 3.46Å; S422-N425 PolarHBondContact O-N 3.34Å; S422-N425 VanDerWaalsContact O-N 3.08Å; S422-N425 PolarHBondContact OG-ND2 3.22Å; K423-N425 VanDerWaalsContact C-N 3.32Å; N425-K427 PolarHBondContact O-N 2.88Å; N425-K427 VanDerWaalsContact O-N 3.14Å; N425-D428 PolarHBondContact O-N 3.25Å
426E85.1Confident93.4Very high131 Ų13161.4 Ų61.461%0.61229%0.293SS*.G310 helixtrans-55.8-35.7-174.9-172.2179.1-175.600113S422 D428 L429S422-E426 PolarHBondContact O-N 3.36Å; E426-D428 VanDerWaalsContact C-N 3.27Å; E426-D428 PolarHBondContact O-N 3.3Å; E426-L429 PolarHBondContact O-N 3.48Å
427K83.4Confident93.3Very high198 Ų19862.6 Ų62.686%0.86130%0.299SS*.G310 helixtrans-68.9-24.1-179.7-65.6179.9-176.5172.70113.7N425N425-K427 PolarHBondContact O-N 2.88Å; N425-K427 VanDerWaalsContact O-N 3.14Å
428D83.3Confident93.3Very high131 Ų13159.2 Ų59.270%0.70129%0.286SS*.G310 helixtrans-89-10.2-178.4-62.7-28.4000111.8N425 E426 N430N425-D428 PolarHBondContact O-N 3.25Å; E426-D428 VanDerWaalsContact C-N 3.27Å; E426-D428 PolarHBondContact O-N 3.3Å; D428-N430 PolarHBondContact O-N 2.89Å
429L90.1Very high93.2Very high46 Ų4660.9 Ų60.924%0.24130%0.295CS..  trans-74.4117.8178.1-64.2177.8000110.7W410 F421 E426 P431W410-L429 HydrophobicContact CH2-CD2 4.08Å; W410-L429 HydrophobicContact CZ3-CD2 3.7Å; F421-L429 HydrophobicContact CD1-CD1 3.73Å; F421-L429 HydrophobicContact CD1-CD2 4.49Å; F421-L429 HydrophobicContact CE1-CD1 4.09Å; F421-L429 HydrophobicContact CE1-CD2 4.33Å; E426-L429 PolarHBondContact O-N 3.48Å; L429-P431 VanDerWaalsContact O-CD 3.26Å; L429-P431 WeakPolarHBondContact O-CD 3.36Å
430N92.9Very high93.2Very high46 Ų4658 Ų5825%0.24629%0.288CS..  trans-78113.3168.3-173.5-29.1000109.4Y409 D428 Y432 A433 Y434Y409-N430 HydrophobicContact CD1-CB 4.23Å; D428-N430 PolarHBondContact O-N 2.89Å; N430-Y432 PolarHBondContact O-N 3.02Å; N430-Y432 VanDerWaalsContact O-N 3.15Å; N430-Y432 WeakPolarHBondContact OD1-CA 3.44Å; N430-Y432 WeakPolarHBondContact OD1-CB 3.44Å; N430-Y432 PolarHBondContact OD1-N 2.94Å; N430-A433 HydrophobicContact CB-CB 3.92Å; N430-A433 WeakPolarHBondContact O-CB 3.44Å; N430-A433 PolarHBondContact O-N 3.4Å; N430-Y434 PolarHBondContact O-N 3.13Å
431P93.5Very high93.3Very high68 Ų6858.7 Ų58.744%0.44230%0.296SS..THydrogen-bonded Turntrans-63-26.4-17825.6-34.2000112L429 A433 Y434 L439L429-P431 VanDerWaalsContact O-CD 3.26Å; L429-P431 WeakPolarHBondContact O-CD 3.36Å; P431-A433 VanDerWaalsContact C-N 3.27Å; P431-A433 PolarHBondContact O-N 3.02Å; P431-Y434 CarbonylContact O-C 3.52Å; P431-Y434 PolarHBondContact O-N 2.9Å; P431-L439 VanDerWaalsContact O-CD1 3.3Å; P431-L439 WeakPolarHBondContact O-CD1 3.48Å
432Y96.2Very high93.4Very high39 Ų3957.6 Ų57.615%0.15329%0.29CS..THydrogen-bonded Turntrans-862.3177-49.9-75.2000113.1I89 K90 V94 N430 M435 L439I89-Y432 HydrophobicContact CG2-CD1 4.12Å; K90-Y432 HydrophobicContact CB-CD1 3.86Å; K90-Y432 HydrophobicContact CB-CD2 4.16Å; K90-Y432 HydrophobicContact CB-CE1 3.57Å; K90-Y432 HydrophobicContact CB-CE2 3.89Å; K90-Y432 HydrophobicContact CB-CG 4.15Å; K90-Y432 HydrophobicContact CD-CD2 4.41Å; K90-Y432 HydrophobicContact CD-CE1 4.45Å; K90-Y432 HydrophobicContact CD-CE2 3.6Å; K90-Y432 WeakPolarHBondContact CE-OH 3.36Å; K90-Y432 HydrophobicContact CG-CE1 3.82Å; K90-Y432 HydrophobicContact CG-CE2 3.9Å; K90-Y432 VanDerWaalsContact CG-CZ 3.42Å; K90-Y432 WeakPolarHBondContact CG-OH 3.36Å; V94-Y432 HydrophobicContact CG2-CE1 4.15Å; N430-Y432 PolarHBondContact O-N 3.02Å; N430-Y432 VanDerWaalsContact O-N 3.15Å; N430-Y432 WeakPolarHBondContact OD1-CA 3.44Å; N430-Y432 WeakPolarHBondContact OD1-CB 3.44Å; N430-Y432 PolarHBondContact OD1-N 2.94Å; Y432-M435 WeakPolarHBondContact O-CE 3.5Å; Y432-L439 HydrophobicContact CD1-CD1 3.65Å; Y432-L439 HydrophobicContact CE1-CD1 4.11Å; Y432-L439 HydrophobicContact CG-CD1 4.48Å
433A95.9Very high93.5Very high0 Ų059 Ų590%030%0.297CS..THydrogen-bonded Turntrans-104.5-12.9166.200000112.8L403 H404 Y409 N430 P431L403-A433 CarbonylContact C-O 3.47Å; H404-A433 PolarHBondContact CD2-O 3.06Å; Y409-A433 HydrophobicContact CD1-CB 4.22Å; Y409-A433 HydrophobicContact CD2-CB 3.43Å; Y409-A433 VanDerWaalsContact CD2-CB 3.43Å; Y409-A433 HydrophobicContact CE2-CB 4.11Å; Y409-A433 HydrophobicContact CG-CB 3.53Å; N430-A433 HydrophobicContact CB-CB 3.92Å; N430-A433 WeakPolarHBondContact O-CB 3.44Å; N430-A433 PolarHBondContact O-N 3.4Å; P431-A433 VanDerWaalsContact C-N 3.27Å; P431-A433 PolarHBondContact O-N 3.02Å
434Y97.2Very high93.7Very high40 Ų4055.3 Ų55.316%0.15729%0.287CS..  trans-128.2101.8178.4-176.8-113.5000111.6C363 R367 H404 W410 F421 N430 P431 P436C363-Y434 WeakPolarHBondContact CA-OH 3.4Å; C363-Y434 VanDerWaalsContact CB-OH 3.26Å; C363-Y434 WeakPolarHBondContact CB-OH 3.31Å; C363-Y434 PolarHBondContact O-OH 3.2Å; C363-Y434 VanDerWaalsContact O-OH 3.11Å; C363-Y434 PolarHBondContact SG-OH 2.93Å; R367-Y434 HydrophobicContact CB-CD2 4.24Å; R367-Y434 HydrophobicContact CB-CE2 3.96Å; R367-Y434 HydrophobicContact CG-CD2 4.37Å; H404-Y434 AromaticContact NE2-CD2 3.92Å; W410-Y434 AromaticContact CH2-CD2 3.98Å; W410-Y434 HydrophobicContact CH2-CD2 3.98Å; W410-Y434 HydrophobicContact CH2-CG 4.06Å; W410-Y434 HydrophobicContact CZ2-CD2 4.19Å; W410-Y434 HydrophobicContact CZ2-CG 4.35Å; F421-Y434 HydrophobicContact CD1-CE1 4.43Å; F421-Y434 AromaticContact CE1-CD1 3.76Å; F421-Y434 HydrophobicContact CE1-CD1 3.76Å; F421-Y434 HydrophobicContact CE1-CD2 4.01Å; F421-Y434 AromaticContact CE1-CE1 3.59Å; F421-Y434 HydrophobicContact CE1-CE1 3.59Å; F421-Y434 AromaticContact CE1-CE2 3.87Å; F421-Y434 HydrophobicContact CE1-CE2 3.87Å; F421-Y434 AromaticContact CE1-CG 3.95Å; F421-Y434 HydrophobicContact CE1-CG 3.95Å; F421-Y434 AromaticContact CE1-CZ 3.65Å; F421-Y434 HydrophobicContact CZ-CD1 4.36Å; F421-Y434 AromaticContact CZ-CD2 3.76Å; F421-Y434 HydrophobicContact CZ-CD2 3.76Å; F421-Y434 HydrophobicContact CZ-CE1 4.16Å; F421-Y434 AromaticContact CZ-CE2 3.55Å; F421-Y434 HydrophobicContact CZ-CE2 3.55Å; F421-Y434 HydrophobicContact CZ-CG 4.17Å; F421-Y434 AromaticContact CZ-CZ 3.75Å; N430-Y434 PolarHBondContact O-N 3.13Å; P431-Y434 CarbonylContact O-C 3.52Å; P431-Y434 PolarHBondContact O-N 2.9Å; Y434-P436 HydrophobicContact CE1-CG 4.03Å; Y434-P436 HydrophobicContact CE2-CG 3.87Å
435M97.1Very high94Very high2 Ų249.7 Ų49.71%0.0126%0.262CS..  trans-143.252.7-172.960.7179.1108.100113.8I89 L93 L375 I398 V400 L403 H404 Y432 F437 G438 L439I89-M435 HydrophobicContact CD1-CE 4.28Å; I89-M435 HydrophobicContact CG2-CE 3.99Å; L93-M435 HydrophobicContact CD1-SD 4.13Å; L375-M435 HydrophobicContact CD1-CG 4.11Å; L375-M435 HydrophobicContact CD1-SD 3.46Å; L375-M435 WeakPolarHBondContact CD1-SD 3.37Å; I398-M435 HydrophobicContact CG2-CE 3.82Å; I398-M435 HydrophobicContact CG2-SD 3.86Å; V400-M435 HydrophobicContact CB-CG 4.38Å; V400-M435 HydrophobicContact CG1-CG 3.92Å; V400-M435 HydrophobicContact CG2-CG 3.79Å; V400-M435 HydrophobicContact CG2-SD 4Å; L403-M435 HydrophobicContact CD1-CE 3.37Å; H404-M435 PolarHBondContact NE2-N 2.8Å; Y432-M435 WeakPolarHBondContact O-CE 3.5Å; M435-F437 PolarHBondContact O-N 2.79Å; M435-F437 VanDerWaalsContact O-N 3.16Å; M435-G438 PolarHBondContact O-N 3.48Å; M435-L439 HydrophobicContact CB-CD1 4Å; M435-L439 HydrophobicContact CB-CG 3.88Å
436P96.2Very high94.3Very high15 Ų1547.4 Ų47.410%0.09725%0.253CS..THydrogen-bonded Turntrans-62.1-27.2-176.426.9-36.1000114Q366 Y434Q366-P436 HydrophobicContact CB-CB 3.68Å; Q366-P436 HydrophobicContact CB-CG 4.02Å; Q366-P436 HydrophobicContact CG-CB 4.29Å; Y434-P436 HydrophobicContact CE1-CG 4.03Å; Y434-P436 HydrophobicContact CE2-CG 3.87Å
437F97.3Very high94.8Very high40 Ų4044 Ų4418%0.17524%0.238CC..THydrogen-bonded Turntrans-104.310.9175.2-67.3-79.8000113F362 M435 C444 M447 I451F362-F437 HydrophobicContact CE1-CE2 4.13Å; F362-F437 HydrophobicContact CE1-CZ 4.27Å; F362-F437 HydrophobicContact CZ-CZ 4.28Å; M435-F437 PolarHBondContact O-N 2.79Å; M435-F437 VanDerWaalsContact O-N 3.16Å; F437-C444 HydrophobicContact CB-CB 3.91Å; F437-C444 HydrophobicContact CD1-CB 3.87Å; F437-C444 HydrophobicContact CG-CB 4.37Å; F437-C444 PolarHBondContact O-N 2.79Å; F437-M447 HydrophobicContact CB-CB 4.3Å; F437-M447 HydrophobicContact CB-CG 3.96Å; F437-M447 HydrophobicContact CB-SD 3.67Å; F437-M447 HydrophobicContact CD1-CB 3.99Å; F437-M447 HydrophobicContact CD1-CG 3.87Å; F437-M447 HydrophobicContact CD2-CG 3.68Å; F437-M447 HydrophobicContact CD2-SD 3.86Å; F437-M447 HydrophobicContact CE1-CG 4.27Å; F437-M447 HydrophobicContact CE2-CG 4.11Å; F437-M447 HydrophobicContact CG-CB 4.06Å; F437-M447 HydrophobicContact CG-CG 3.55Å; F437-M447 HydrophobicContact CG-SD 3.83Å; F437-M447 HydrophobicContact CZ-CG 4.39Å; F437-I451 HydrophobicContact CE2-CD1 4.06Å; F437-I451 HydrophobicContact CE2-CG1 4.17Å; F437-I451 HydrophobicContact CZ-CD1 4.37Å; F437-I451 HydrophobicContact CZ-CG1 4.04Å
438G96.9Very high95.5Very high8 Ų839.6 Ų39.68%0.08222%0.216CC..  trans68.2-178.9-168.300000113.7M435M435-G438 PolarHBondContact O-N 3.48Å
439L95.8Very high96.1Very high35 Ų3533.9 Ų33.918%0.18319%0.185CC..  trans-133.2166.3-178-67.2169.4000112.1L93 P431 Y432 M435L93-L439 HydrophobicContact CB-CB 4.45Å; L93-L439 HydrophobicContact CD1-CB 4.02Å; L93-L439 HydrophobicContact CD1-CD1 4.48Å; P431-L439 VanDerWaalsContact O-CD1 3.3Å; P431-L439 WeakPolarHBondContact O-CD1 3.48Å; Y432-L439 HydrophobicContact CD1-CD1 3.65Å; Y432-L439 HydrophobicContact CE1-CD1 4.11Å; Y432-L439 HydrophobicContact CG-CD1 4.48Å; M435-L439 HydrophobicContact CB-CD1 4Å; M435-L439 HydrophobicContact CB-CG 3.88Å
440G97Very high96.4Very high24 Ų2432.1 Ų32.125%0.24718%0.177CC..SBendtrans70.7-167.7176.800000113.7L93 R442 N443L93-G440 WeakPolarHBondContact O-CA 3.46Å; G440-R442 PolarHBondContact O-N 3.27Å; G440-N443 WeakPolarHBondContact O-CB 3.31Å; G440-N443 PolarHBondContact O-N 3.1Å; G440-N443 VanDerWaalsContact O-N 3.12Å
441P97.8Very high96.6Very high37 Ų3731.8 Ų31.824%0.2417%0.174CC..THydrogen-bonded Turntrans-61.2-21-170.9-26.636.3000115.2F97 Y98 W126F97-P441 HydrophobicContact CD1-CB 3.71Å; F97-P441 HydrophobicContact CD1-CG 3.55Å; F97-P441 HydrophobicContact CE1-CB 3.62Å; F97-P441 HydrophobicContact CE1-CG 4.02Å; F97-P441 HydrophobicContact CG-CB 4.41Å; F97-P441 HydrophobicContact CG-CG 4.03Å; F97-P441 HydrophobicContact CZ-CB 4.24Å; Y98-P441 HydrophobicContact CE1-CB 4.47Å; Y98-P441 HydrophobicContact CE2-CB 4.48Å; Y98-P441 HydrophobicContact CE2-CG 3.9Å; Y98-P441 WeakPolarHBondContact OH-CB 3.45Å; W126-P441 HydrophobicContact CH2-CB 3.95Å; W126-P441 WeakPolarHBondContact CZ2-O 3.27Å
442R97.3Very high96.8Very high4 Ų428.7 Ų28.72%0.01515%0.154CC..THydrogen-bonded Turntrans-111.430.6-179.3-159.3163.1-174.5158.26.7113.2F97 T102 N103 R104 V118 V121 W126 R377 G440F97-R442 HydrophobicContact CE2-CB 3.47Å; F97-R442 VanDerWaalsContact CE2-CB 3.47Å; F97-R442 HydrophobicContact CE2-CG 4.43Å; F97-R442 HydrophobicContact CZ-CB 3.53Å; F97-R442 HydrophobicContact CZ-CG 4.37Å; T102-R442 WeakPolarHBondContact O-CD 3.37Å; T102-R442 PolarHBondContact O-NH1 3.2Å; N103-R442 PolarHBondContact OD1-NH1 2.97Å; R104-R442 PolarHBondContact NH2-O 2.65Å; V118-R442 PolarHBondContact O-NH2 3.01Å; V121-R442 PolarHBondContact O-NH1 3.01Å; V121-R442 PolarHBondContact O-NH2 2.95Å; W126-R442 VanDerWaalsContact CD1-NH2 3.34Å; W126-R442 HydrophobicContact CH2-CB 4.17Å; W126-R442 HydrophobicContact CZ2-CB 3.59Å; W126-R442 HydrophobicContact CZ2-CG 3.64Å; R377-R442 PolarHBondContact NH2-O 3.22Å; G440-R442 PolarHBondContact O-N 3.27Å
443N97.4Very high96.8Very high40 Ų4027 Ų2721%0.21415%0.148CC..SBendtrans-67.6174.7164.976-16.8000111.7R130 G440 V445R130-N443 PolarHBondContact NH1-O 3.33Å; R130-N443 PolarHBondContact NH2-O 2.74Å; R130-N443 PolarHBondContact NH2-OD1 3.41Å; G440-N443 WeakPolarHBondContact O-CB 3.31Å; G440-N443 PolarHBondContact O-N 3.1Å; G440-N443 VanDerWaalsContact O-N 3.12Å; N443-V445 PolarHBondContact O-N 3.32Å
444C97.6Very high96.9Very high50 Ų5027 Ų2734%0.33815%0.148SC..  trans-58.1123.4177.2-1750000111.4F437 G446 M447F437-C444 HydrophobicContact CB-CB 3.91Å; F437-C444 HydrophobicContact CD1-CB 3.87Å; F437-C444 HydrophobicContact CG-CB 4.37Å; F437-C444 PolarHBondContact O-N 2.79Å; C444-G446 VanDerWaalsContact C-N 3.35Å; C444-M447 HydrophobicContact CB-CB 4.23Å
445V96.2Very high97Very high29 Ų2925.3 Ų25.318%0.17614%0.142CC..THydrogen-bonded Turntrans-69-36.6177.372.40000111.7R130 I133 F137 F304 N443R130-V445 VanDerWaalsContact NH1-CB 3.33Å; I133-V445 HydrophobicContact CD1-CG1 4.45Å; I133-V445 HydrophobicContact CD1-CG2 4.34Å; I133-V445 HydrophobicContact CG1-CG2 4.31Å; F137-V445 HydrophobicContact CD2-CB 4.44Å; F137-V445 HydrophobicContact CD2-CG1 4.31Å; F137-V445 HydrophobicContact CD2-CG2 3.61Å; F137-V445 HydrophobicContact CE2-CB 4.44Å; F137-V445 HydrophobicContact CE2-CG1 3.85Å; F137-V445 HydrophobicContact CE2-CG2 3.89Å; F137-V445 WeakPolarHBondContact CG-O 3.47Å; F137-V445 HydrophobicContact CZ-CG1 4.31Å; F304-V445 HydrophobicContact CE1-CG1 4.46Å; N443-V445 PolarHBondContact O-N 3.32Å
446G95.8Very high97Very high12 Ų1225.3 Ų25.312%0.12414%0.141CC..THydrogen-bonded Turntrans-91.111.6-175.500000114.5C444 R448 Y449 A450C444-G446 VanDerWaalsContact C-N 3.35Å; G446-R448 VanDerWaalsContact C-N 3.34Å; G446-R448 PolarHBondContact O-N 3.23Å; G446-Y449 PolarHBondContact O-N 3.43Å; G446-Y449 VanDerWaalsContact O-N 3.16Å; G446-A450 WeakPolarHBondContact O-CB 3.11Å; G446-A450 PolarHBondContact O-N 2.86Å
447M96.9Very high97.1Very high61 Ų6124.6 Ų24.630%0.314%0.137SC..Hα-helixtrans-49.8-52.1-173.9175.4176.274.600112.5F437 C444 Y449 A450 I451F437-M447 HydrophobicContact CB-CB 4.3Å; F437-M447 HydrophobicContact CB-CG 3.96Å; F437-M447 HydrophobicContact CB-SD 3.67Å; F437-M447 HydrophobicContact CD1-CB 3.99Å; F437-M447 HydrophobicContact CD1-CG 3.87Å; F437-M447 HydrophobicContact CD2-CG 3.68Å; F437-M447 HydrophobicContact CD2-SD 3.86Å; F437-M447 HydrophobicContact CE1-CG 4.27Å; F437-M447 HydrophobicContact CE2-CG 4.11Å; F437-M447 HydrophobicContact CG-CB 4.06Å; F437-M447 HydrophobicContact CG-CG 3.55Å; F437-M447 HydrophobicContact CG-SD 3.83Å; F437-M447 HydrophobicContact CZ-CG 4.39Å; C444-M447 HydrophobicContact CB-CB 4.23Å; M447-Y449 PolarHBondContact O-N 2.96Å; M447-A450 PolarHBondContact O-N 2.77Å; M447-I451 HydrophobicContact CG-CD1 3.82Å; M447-I451 VanDerWaalsContact O-CG1 3.24Å; M447-I451 WeakPolarHBondContact O-CG1 3.47Å; M447-I451 PolarHBondContact O-N 2.84Å
448R96.4Very high97.2Very high105 Ų10522.7 Ų22.740%0.39613%0.129SC..Hα-helixtrans-68.4-37.1-176.2-62.3-179.663.5-164.6-3112.7S139 L142 G446 L452S139-R448 VanDerWaalsContact OG-CZ 3.26Å; S139-R448 PolarHBondContact OG-NH1 3.35Å; S139-R448 PolarHBondContact OG-NH2 2.71Å; L142-R448 HydrophobicContact CD1-CB 3.5Å; G446-R448 VanDerWaalsContact C-N 3.34Å; G446-R448 PolarHBondContact O-N 3.23Å; R448-L452 WeakPolarHBondContact O-CB 3.34Å; R448-L452 PolarHBondContact O-N 2.83Å; R448-L452 VanDerWaalsContact O-N 3.11Å
449Y95.9Very high97.2Very high10 Ų1022.3 Ų22.34%0.03913%0.125CC..Hα-helixtrans-64.3-48.9174.2170.7-98.7000111.2F137 L142 V145 V182 V183 A186 F267 G446 M447 I451 L452 V453F137-Y449 HydrophobicContact CD1-CG 4.46Å; F137-Y449 HydrophobicContact CE1-CG 4.4Å; L142-Y449 HydrophobicContact CD2-CD2 4.02Å; L142-Y449 HydrophobicContact CD2-CG 4.38Å; V145-Y449 HydrophobicContact CG1-CE2 4.04Å; V182-Y449 WeakPolarHBondContact CG1-OH 3.23Å; V182-Y449 PolarHBondContact O-OH 2.63Å; V183-Y449 WeakPolarHBondContact CA-OH 3.45Å; A186-Y449 HydrophobicContact CB-CE2 3.89Å; A186-Y449 WeakPolarHBondContact CB-OH 3.36Å; F267-Y449 HydrophobicContact CE2-CE2 4.48Å; F267-Y449 HydrophobicContact CZ-CD2 4.1Å; F267-Y449 HydrophobicContact CZ-CE2 4.31Å; G446-Y449 PolarHBondContact O-N 3.43Å; G446-Y449 VanDerWaalsContact O-N 3.16Å; M447-Y449 PolarHBondContact O-N 2.96Å; Y449-I451 PolarHBondContact O-N 3.42Å; Y449-L452 WeakPolarHBondContact O-CB 3.23Å; Y449-L452 PolarHBondContact O-N 2.93Å; Y449-V453 HydrophobicContact CD1-CG2 4.42Å; Y449-V453 HydrophobicContact CD2-CG2 4.27Å; Y449-V453 HydrophobicContact CE1-CG2 4.04Å; Y449-V453 HydrophobicContact CE2-CG2 3.86Å; Y449-V453 WeakPolarHBondContact O-CG2 3.47Å; Y449-V453 PolarHBondContact O-N 3.1Å
450A96.9Very high97.2Very high9 Ų921.1 Ų21.17%0.07412%0.119CC..Hα-helixtrans-60.3-45.9-179.700000111G446 M447 L452 V453 M454G446-A450 WeakPolarHBondContact O-CB 3.11Å; G446-A450 PolarHBondContact O-N 2.86Å; M447-A450 PolarHBondContact O-N 2.77Å; A450-L452 VanDerWaalsContact C-N 3.33Å; A450-L452 PolarHBondContact O-N 3.28Å; A450-V453 PolarHBondContact O-N 3.4Å; A450-M454 VanDerWaalsContact C-CE 3.43Å; A450-M454 HydrophobicContact CB-CE 3.83Å; A450-M454 WeakPolarHBondContact O-CB 3.46Å; A450-M454 WeakPolarHBondContact O-CE 3.42Å; A450-M454 VanDerWaalsContact O-CG 3.25Å; A450-M454 WeakPolarHBondContact O-CG 3.31Å; A450-M454 PolarHBondContact O-N 2.98Å
451I97.6Very high97.2Very high39 Ų3920 Ų2020%0.211%0.107CC..Hα-helixtrans-58.2-45.8176.3-68.3167.5000110.9F362 F437 M447 Y449 V453 M454 K455F362-I451 HydrophobicContact CE1-CD1 4.43Å; F362-I451 HydrophobicContact CE1-CG1 3.77Å; F362-I451 HydrophobicContact CZ-CG1 4.15Å; F437-I451 HydrophobicContact CE2-CD1 4.06Å; F437-I451 HydrophobicContact CE2-CG1 4.17Å; F437-I451 HydrophobicContact CZ-CD1 4.37Å; F437-I451 HydrophobicContact CZ-CG1 4.04Å; M447-I451 HydrophobicContact CG-CD1 3.82Å; M447-I451 VanDerWaalsContact O-CG1 3.24Å; M447-I451 WeakPolarHBondContact O-CG1 3.47Å; M447-I451 PolarHBondContact O-N 2.84Å; Y449-I451 PolarHBondContact O-N 3.42Å; I451-V453 PolarHBondContact O-N 3.06Å; I451-M454 PolarHBondContact O-N 3.44Å; I451-K455 HydrophobicContact CG2-CD 3.87Å; I451-K455 VanDerWaalsContact CG2-CE 3.41Å; I451-K455 HydrophobicContact CG2-CG 4.16Å; I451-K455 WeakPolarHBondContact O-CB 3.33Å; I451-K455 VanDerWaalsContact O-CG 3.29Å; I451-K455 WeakPolarHBondContact O-CG 3.47Å; I451-K455 PolarHBondContact O-N 3.48Å
452L96.9Very high97.2Very high4 Ų418.2 Ų18.22%0.02110%0.096CC..Hα-helixtrans-58.1-50.5178.4-174.975.1000111.9L142 F146 Y349 L352 R448 Y449 A450 M454 M456L142-L452 HydrophobicContact CB-CD2 4.23Å; F146-L452 HydrophobicContact CD2-CD1 3.9Å; F146-L452 HydrophobicContact CD2-CD2 4.18Å; F146-L452 HydrophobicContact CD2-CG 4.24Å; F146-L452 HydrophobicContact CE2-CD1 4.19Å; Y349-L452 HydrophobicContact CD2-CD1 3.96Å; Y349-L452 HydrophobicContact CE2-CD1 3.73Å; Y349-L452 HydrophobicContact CE2-CD2 4.3Å; L352-L452 HydrophobicContact CD2-CD1 3.92Å; R448-L452 WeakPolarHBondContact O-CB 3.34Å; R448-L452 PolarHBondContact O-N 2.83Å; R448-L452 VanDerWaalsContact O-N 3.11Å; Y449-L452 WeakPolarHBondContact O-CB 3.23Å; Y449-L452 PolarHBondContact O-N 2.93Å; A450-L452 VanDerWaalsContact C-N 3.33Å; A450-L452 PolarHBondContact O-N 3.28Å; L452-M454 PolarHBondContact O-N 3.01Å; L452-M456 PolarHBondContact O-N 2.85Å; L452-M456 VanDerWaalsContact O-N 3.09Å
453V97.3Very high97.1Very high2 Ų219.7 Ų19.71%0.01210%0.103CC..Hα-helixtrans-61.9-44.5-179.1172.80000111.1V149 F178 V182 T312 Y449 A450 I451 L457V149-V453 HydrophobicContact CG1-CG2 4.25Å; V149-V453 HydrophobicContact CG2-CG2 4.09Å; F178-V453 HydrophobicContact CE1-CG1 3.66Å; F178-V453 HydrophobicContact CZ-CG1 4.01Å; V182-V453 HydrophobicContact CB-CG1 4.49Å; V182-V453 HydrophobicContact CG1-CB 4.49Å; V182-V453 HydrophobicContact CG1-CG1 3.92Å; V182-V453 HydrophobicContact CG1-CG2 3.68Å; T312-V453 HydrophobicContact CG2-CG1 4.06Å; Y449-V453 HydrophobicContact CD1-CG2 4.42Å; Y449-V453 HydrophobicContact CD2-CG2 4.27Å; Y449-V453 HydrophobicContact CE1-CG2 4.04Å; Y449-V453 HydrophobicContact CE2-CG2 3.86Å; Y449-V453 WeakPolarHBondContact O-CG2 3.47Å; Y449-V453 PolarHBondContact O-N 3.1Å; A450-V453 PolarHBondContact O-N 3.4Å; I451-V453 PolarHBondContact O-N 3.06Å; V453-L457 PolarHBondContact O-N 2.72Å
454M98.3Very high97Very high1 Ų122.6 Ų22.61%0.00511%0.114CC..Hα-helixtrans-70.3-43.6-178.2-67.2-174.5-80.900112.6T312 T315 L316 F362 A450 I451 L452 M456 L457 I458T312-M454 HydrophobicContact CG2-CG 3.51Å; T312-M454 HydrophobicContact CG2-SD 4.17Å; T315-M454 WeakPolarHBondContact CB-SD 3.44Å; T315-M454 HydrophobicContact CG2-CE 3.91Å; T315-M454 HydrophobicContact CG2-SD 3.31Å; T315-M454 WeakPolarHBondContact CG2-SD 3.29Å; L316-M454 HydrophobicContact CD1-CG 4.24Å; L316-M454 HydrophobicContact CD2-CB 3.89Å; L316-M454 HydrophobicContact CD2-CG 4.06Å; L316-M454 HydrophobicContact CG-CB 4.21Å; L316-M454 HydrophobicContact CG-CG 3.8Å; L316-M454 HydrophobicContact CG-SD 4.33Å; F362-M454 HydrophobicContact CE2-CB 4.1Å; F362-M454 HydrophobicContact CE2-CE 3.69Å; F362-M454 HydrophobicContact CE2-SD 3.88Å; F362-M454 HydrophobicContact CZ-CE 3.43Å; F362-M454 VanDerWaalsContact CZ-CE 3.43Å; F362-M454 HydrophobicContact CZ-SD 4.19Å; A450-M454 VanDerWaalsContact C-CE 3.43Å; A450-M454 HydrophobicContact CB-CE 3.83Å; A450-M454 WeakPolarHBondContact O-CB 3.46Å; A450-M454 WeakPolarHBondContact O-CE 3.42Å; A450-M454 VanDerWaalsContact O-CG 3.25Å; A450-M454 WeakPolarHBondContact O-CG 3.31Å; A450-M454 PolarHBondContact O-N 2.98Å; I451-M454 PolarHBondContact O-N 3.44Å; L452-M454 PolarHBondContact O-N 3.01Å; M454-M456 VanDerWaalsContact C-N 3.33Å; M454-M456 PolarHBondContact O-N 2.88Å; M454-L457 PolarHBondContact O-N 2.77Å; M454-I458 WeakPolarHBondContact O-CD1 3.45Å; M454-I458 VanDerWaalsContact O-CG1 3.26Å; M454-I458 WeakPolarHBondContact O-CG1 3.42Å; M454-I458 PolarHBondContact O-N 2.76Å
455K98.2Very high96.9Very high5 Ų521.4 Ų21.42%0.02210%0.102CC..Hα-helixtrans-58.6-45.8176.4-77.7-175.5-177.5178.40111.2L352 L358 D359 I451 L457 I458 V459L352-K455 HydrophobicContact CD1-CB 4.01Å; L352-K455 HydrophobicContact CD2-CB 4.11Å; L352-K455 HydrophobicContact CG-CB 4.15Å; L358-K455 HydrophobicContact CD2-CB 3.86Å; L358-K455 HydrophobicContact CD2-CD 4.08Å; L358-K455 HydrophobicContact CD2-CG 3.81Å; L358-K455 HydrophobicContact CG-CD 4.44Å; L358-K455 HydrophobicContact CG-CG 4.11Å; D359-K455 WeakPolarHBondContact OD1-CE 3.39Å; D359-K455 IonicContact OD1-NZ 3.72Å; D359-K455 PolarHBondContact OD1-NZ 2.7Å; D359-K455 IonicContact OD2-NZ 2.63Å; D359-K455 PolarHBondContact OD2-NZ 3.01Å; I451-K455 HydrophobicContact CG2-CD 3.87Å; I451-K455 VanDerWaalsContact CG2-CE 3.41Å; I451-K455 HydrophobicContact CG2-CG 4.16Å; I451-K455 WeakPolarHBondContact O-CB 3.33Å; I451-K455 VanDerWaalsContact O-CG 3.29Å; I451-K455 WeakPolarHBondContact O-CG 3.47Å; I451-K455 PolarHBondContact O-N 3.48Å; K455-L457 VanDerWaalsContact C-N 3.33Å; K455-L457 PolarHBondContact O-N 3.23Å; K455-I458 PolarHBondContact O-N 3.21Å; K455-V459 WeakPolarHBondContact O-CG2 3.38Å; K455-V459 PolarHBondContact O-N 3.28Å
456M97.9Very high97Very high1 Ų121.1 Ų21.11%0.00510%0.101CC..Hα-helixtrans-55.1-50.8178.3-179.760.178.500111F146 V149 V150 A153 I347 L352 L452 M454 I458 V459 C460F146-M456 HydrophobicContact CD2-CE 4.26Å; F146-M456 HydrophobicContact CE1-CE 4.15Å; F146-M456 HydrophobicContact CE2-CE 3.3Å; F146-M456 HydrophobicContact CZ-CE 3.23Å; V149-M456 HydrophobicContact CG1-CB 3.81Å; V149-M456 HydrophobicContact CG1-CG 3.92Å; V150-M456 HydrophobicContact CG2-CE 3.47Å; V150-M456 VanDerWaalsContact CG2-CE 3.47Å; A153-M456 HydrophobicContact CB-CG 3.78Å; I347-M456 HydrophobicContact CB-CE 4.36Å; I347-M456 HydrophobicContact CB-SD 4.48Å; I347-M456 HydrophobicContact CD1-SD 4.03Å; I347-M456 HydrophobicContact CG2-CE 4.34Å; L352-M456 HydrophobicContact CD2-CB 4.04Å; L352-M456 HydrophobicContact CD2-CE 4.13Å; L452-M456 PolarHBondContact O-N 2.85Å; L452-M456 VanDerWaalsContact O-N 3.09Å; M454-M456 VanDerWaalsContact C-N 3.33Å; M454-M456 PolarHBondContact O-N 2.88Å; M456-I458 PolarHBondContact O-N 2.94Å; M456-V459 PolarHBondContact O-N 2.99Å; M456-C460 PolarHBondContact O-N 3.24Å; M456-C460 PolarHBondContact O-SG 3.35Å
457L98Very high97Very high0 Ų020.6 Ų20.60%010%0.096CC..Hα-helixtrans-64.7-42.3-178.8-167.570.3000112.6F156 V175 F178 L316 V453 M454 K455 V459 C460 I461F156-L457 HydrophobicContact CB-CD1 4.17Å; F156-L457 HydrophobicContact CD1-CD1 3.41Å; F156-L457 VanDerWaalsContact CD1-CD1 3.41Å; F156-L457 HydrophobicContact CD2-CD1 4.3Å; F156-L457 HydrophobicContact CE1-CD1 3.78Å; F156-L457 HydrophobicContact CE1-CG 4.46Å; F156-L457 HydrophobicContact CG-CD1 3.69Å; F156-L457 HydrophobicContact CZ-CD1 4.36Å; V175-L457 HydrophobicContact CB-CD2 4.12Å; V175-L457 HydrophobicContact CG1-CD2 3.99Å; F178-L457 HydrophobicContact CD1-CB 4.46Å; F178-L457 HydrophobicContact CD1-CD1 4.07Å; F178-L457 HydrophobicContact CD1-CD2 3.63Å; F178-L457 HydrophobicContact CD1-CG 4.26Å; F178-L457 HydrophobicContact CD2-CD1 4.11Å; F178-L457 HydrophobicContact CE1-CB 3.8Å; F178-L457 HydrophobicContact CE1-CD1 4Å; F178-L457 HydrophobicContact CE1-CD2 3.82Å; F178-L457 HydrophobicContact CE1-CG 4.08Å; F178-L457 HydrophobicContact CE2-CD1 4.06Å; F178-L457 HydrophobicContact CG-CD1 4.11Å; F178-L457 HydrophobicContact CG-CD2 4.27Å; F178-L457 HydrophobicContact CZ-CB 4.04Å; F178-L457 HydrophobicContact CZ-CD1 4Å; F178-L457 HydrophobicContact CZ-CG 4.43Å; L316-L457 HydrophobicContact CD1-CD2 3.58Å; L316-L457 HydrophobicContact CD2-CB 4.28Å; L316-L457 HydrophobicContact CD2-CD2 4.07Å; L316-L457 HydrophobicContact CG-CD2 4.41Å; V453-L457 PolarHBondContact O-N 2.72Å; M454-L457 PolarHBondContact O-N 2.77Å; K455-L457 VanDerWaalsContact C-N 3.33Å; K455-L457 PolarHBondContact O-N 3.23Å; L457-V459 VanDerWaalsContact C-N 3.32Å; L457-V459 PolarHBondContact O-N 3.4Å; L457-C460 PolarHBondContact O-N 3.05Å; L457-I461 HydrophobicContact CD2-CD1 4.29Å; L457-I461 HydrophobicContact CG-CD1 3.9Å; L457-I461 HydrophobicContact CG-CG1 4.47Å; L457-I461 WeakPolarHBondContact O-CB 3.37Å; L457-I461 VanDerWaalsContact O-CG1 3.28Å; L457-I461 WeakPolarHBondContact O-CG1 3.44Å; L457-I461 PolarHBondContact O-N 3.03Å
458I98.4Very high97Very high1 Ų121.6 Ų21.61%0.00510%0.1CC..Hα-helixtrans-58.5-46.8177.1-69.4162.5000110.1L316 T319 L323 L333 L358 F362 M454 K455 M456 I461 L462L316-I458 HydrophobicContact CD2-CD1 4.17Å; L316-I458 HydrophobicContact CD2-CG1 3.84Å; T319-I458 HydrophobicContact CG2-CD1 3.73Å; L323-I458 HydrophobicContact CD1-CG2 4.44Å; L333-I458 HydrophobicContact CD2-CG2 4.49Å; L358-I458 HydrophobicContact CD1-CB 4.42Å; L358-I458 HydrophobicContact CD1-CG2 3.77Å; F362-I458 HydrophobicContact CD2-CD1 4.43Å; M454-I458 WeakPolarHBondContact O-CD1 3.45Å; M454-I458 VanDerWaalsContact O-CG1 3.26Å; M454-I458 WeakPolarHBondContact O-CG1 3.42Å; M454-I458 PolarHBondContact O-N 2.76Å; K455-I458 PolarHBondContact O-N 3.21Å; M456-I458 PolarHBondContact O-N 2.94Å; I458-I461 PolarHBondContact O-N 2.87Å; I458-L462 HydrophobicContact CG2-CD1 3.78Å; I458-L462 HydrophobicContact CG2-CG 4.28Å; I458-L462 WeakPolarHBondContact O-CB 3.45Å; I458-L462 VanDerWaalsContact O-CG 3.31Å; I458-L462 WeakPolarHBondContact O-CG 3.16Å; I458-L462 PolarHBondContact O-N 2.65Å
459V97.7Very high97.1Very high0 Ų019.7 Ų19.70%010%0.1CC..Hα-helixtrans-61.5-50.6178.4171.40000111.1I337 L341 I347 L352 L355 L358 K455 M456 L457 I461 L462 Q463I337-V459 HydrophobicContact CD1-CG2 4.19Å; I337-V459 HydrophobicContact CG1-CG2 4.35Å; I337-V459 HydrophobicContact CG2-CG1 4.13Å; L341-V459 HydrophobicContact CD1-CG1 3.46Å; L341-V459 VanDerWaalsContact CD1-CG1 3.46Å; I347-V459 HydrophobicContact CD1-CG1 3.63Å; L352-V459 HydrophobicContact CD1-CB 4.32Å; L352-V459 HydrophobicContact CD1-CG2 3.74Å; L355-V459 HydrophobicContact CD1-CG2 3.56Å; L358-V459 HydrophobicContact CD2-CG2 3.51Å; K455-V459 WeakPolarHBondContact O-CG2 3.38Å; K455-V459 PolarHBondContact O-N 3.28Å; M456-V459 PolarHBondContact O-N 2.99Å; L457-V459 VanDerWaalsContact C-N 3.32Å; L457-V459 PolarHBondContact O-N 3.4Å; V459-I461 VanDerWaalsContact C-N 3.29Å; V459-I461 PolarHBondContact O-N 2.71Å; V459-L462 PolarHBondContact O-N 3Å; V459-Q463 HydrophobicContact CG1-CG 4.27Å; V459-Q463 WeakPolarHBondContact O-CB 3.26Å; V459-Q463 WeakPolarHBondContact O-CG 3.15Å; V459-Q463 PolarHBondContact O-N 2.67Å
460C96.4Very high97Very high9 Ų920.9 Ų20.96%0.06111%0.109CC..Hα-helixtrans-58.5-40.9179.8-68.70000112.3M157 M456 L457M157-C460 VanDerWaalsContact CE-O 3.23Å; M157-C460 WeakPolarHBondContact CE-O 3.47Å; M157-C460 HydrophobicContact CG-CB 3.77Å; M157-C460 HydrophobicContact SD-CB 3.91Å; M456-C460 PolarHBondContact O-N 3.24Å; M456-C460 PolarHBondContact O-SG 3.35Å; L457-C460 PolarHBondContact O-N 3.05Å
461I97.3Very high96.9Very high0 Ų025.7 Ų25.70%015%0.149CC..Hα-helixtrans-63.4-54.1174.8-70.1168.4000109.8F156 M157 L320 L457 I458 V459 Q463 K464 Y465 V467 F493F156-I461 HydrophobicContact CE1-CD1 3.88Å; F156-I461 HydrophobicContact CE1-CG1 3.83Å; F156-I461 HydrophobicContact CZ-CD1 4.21Å; M157-I461 HydrophobicContact SD-CG1 4.05Å; L320-I461 HydrophobicContact CD1-CD1 4.14Å; L457-I461 HydrophobicContact CD2-CD1 4.29Å; L457-I461 HydrophobicContact CG-CD1 3.9Å; L457-I461 HydrophobicContact CG-CG1 4.47Å; L457-I461 WeakPolarHBondContact O-CB 3.37Å; L457-I461 VanDerWaalsContact O-CG1 3.28Å; L457-I461 WeakPolarHBondContact O-CG1 3.44Å; L457-I461 PolarHBondContact O-N 3.03Å; I458-I461 PolarHBondContact O-N 2.87Å; V459-I461 VanDerWaalsContact C-N 3.29Å; V459-I461 PolarHBondContact O-N 2.71Å; I461-Q463 VanDerWaalsContact C-N 3.27Å; I461-Q463 PolarHBondContact O-N 2.92Å; I461-K464 PolarHBondContact O-N 3.07Å; I461-Y465 PolarHBondContact O-N 3.43Å; I461-V467 HydrophobicContact CG2-CG2 4.04Å; I461-F493 HydrophobicContact CD1-CE1 4.46Å; I461-F493 HydrophobicContact CG2-CD1 4.2Å; I461-F493 HydrophobicContact CG2-CE1 3.95Å
462L97.1Very high96.8Very high0 Ų027.9 Ų27.90%016%0.161CC..Hα-helixtrans-69.9-20.4-173.1-67.3-177000114L323 M330 L333 Q334 I337 I458 V459 K464 Y465 R496L323-L462 HydrophobicContact CD1-CD1 4.07Å; M330-L462 HydrophobicContact CG-CD2 3.96Å; M330-L462 HydrophobicContact SD-CD2 3.91Å; L333-L462 HydrophobicContact CD2-CD1 3.43Å; L333-L462 VanDerWaalsContact CD2-CD1 3.43Å; L333-L462 HydrophobicContact CG-CD1 3.87Å; Q334-L462 HydrophobicContact CG-CB 4.24Å; I337-L462 HydrophobicContact CD1-CB 3.85Å; I337-L462 HydrophobicContact CD1-CD1 4.05Å; I458-L462 HydrophobicContact CG2-CD1 3.78Å; I458-L462 HydrophobicContact CG2-CG 4.28Å; I458-L462 WeakPolarHBondContact O-CB 3.45Å; I458-L462 VanDerWaalsContact O-CG 3.31Å; I458-L462 WeakPolarHBondContact O-CG 3.16Å; I458-L462 PolarHBondContact O-N 2.65Å; V459-L462 PolarHBondContact O-N 3Å; L462-K464 VanDerWaalsContact C-N 3.29Å; L462-K464 PolarHBondContact O-N 3.31Å; L462-Y465 WeakPolarHBondContact CA-O 3.48Å; L462-R496 WeakPolarHBondContact O-CD 3.18Å; L462-R496 PolarHBondContact O-NH1 3.04Å
463Q94.6Very high96.8Very high36 Ų3628.6 Ų28.617%0.16817%0.166CC..Hα-helixtrans-65.2-31.1169.8-79.9-177.8-30.700112.7I337 V459 I461I337-Q463 HydrophobicContact CG2-CG 3.47Å; I337-Q463 VanDerWaalsContact CG2-CG 3.47Å; V459-Q463 HydrophobicContact CG1-CG 4.27Å; V459-Q463 WeakPolarHBondContact O-CB 3.26Å; V459-Q463 WeakPolarHBondContact O-CG 3.15Å; V459-Q463 PolarHBondContact O-N 2.67Å; I461-Q463 VanDerWaalsContact C-N 3.27Å; I461-Q463 PolarHBondContact O-N 2.92Å
464K94.6Very high96.7Very high101 Ų10130.1 Ų30.144%0.43917%0.173SC..Hα-helixtrans-116.6-23.5-172.9-64.5-169.6-179-179.80114.4M157 I461 L462 R496M157-K464 HydrophobicContact CE-CB 4Å; M157-K464 HydrophobicContact CE-CD 3.92Å; M157-K464 HydrophobicContact CE-CG 4.27Å; I461-K464 PolarHBondContact O-N 3.07Å; L462-K464 VanDerWaalsContact C-N 3.29Å; L462-K464 PolarHBondContact O-N 3.31Å; K464-R496 PolarHBondContact O-N 3.4Å
465Y96.6Very high96.5Very high24 Ų2434.6 Ų34.69%0.09420%0.2CC..EExtended strand (participates in β ladder)trans-135143.1-173.9-59.6-88.5000111.2M157 L160 G161 L165 I461 L462 F493 V494 P495M157-Y465 HydrophobicContact CE-CD2 3.74Å; M157-Y465 HydrophobicContact CE-CE2 3.57Å; L160-Y465 HydrophobicContact CD2-CD2 3.76Å; L160-Y465 HydrophobicContact CD2-CE2 3.67Å; L160-Y465 HydrophobicContact CD2-CG 4.43Å; L160-Y465 HydrophobicContact CG-CE2 4.07Å; G161-Y465 WeakPolarHBondContact CA-OH 3.12Å; L165-Y465 HydrophobicContact CD1-CD1 3.92Å; L165-Y465 HydrophobicContact CD1-CE1 3.32Å; I461-Y465 PolarHBondContact O-N 3.43Å; L462-Y465 WeakPolarHBondContact CA-O 3.48Å; Y465-F493 HydrophobicContact CD1-CB 4.35Å; Y465-V494 CarbonylContact C-O 3.59Å; Y465-V494 VanDerWaalsContact CA-O 3.23Å; Y465-V494 WeakPolarHBondContact CA-O 3.37Å; Y465-P495 HydrophobicContact CD1-CB 4.42Å; Y465-P495 HydrophobicContact CD1-CG 4.23Å; Y465-P495 HydrophobicContact CE1-CB 4.33Å; Y465-P495 HydrophobicContact CE1-CG 3.95Å
466S97.3Very high96.1Very high23 Ų2339.2 Ų39.216%0.16123%0.231CC..EExtended strand (participates in β ladder)trans-89.6147.2157.2-690000108.7Q334 V494Q334-S466 PolarHBondContact NE2-OG 2.68Å; S466-V494 PolarHBondContact N-O 3.47Å; S466-V494 PolarHBondContact O-N 3.42Å
467V97.3Very high95.9Very high1 Ų140.1 Ų40.11%0.00624%0.235CC..EExtended strand (participates in β ladder)trans-109.9127.7175.7-169.20000108.6L320 A324 M330 I461 L491 K492 F493L320-V467 HydrophobicContact CD2-CG2 4.26Å; A324-V467 WeakPolarHBondContact CA-O 3.42Å; A324-V467 HydrophobicContact CB-CB 4.45Å; A324-V467 HydrophobicContact CB-CG1 4.08Å; M330-V467 WeakPolarHBondContact CE-O 3.42Å; M330-V467 HydrophobicContact SD-CB 4.4Å; M330-V467 PolarHBondContact SD-N 3.43Å; I461-V467 HydrophobicContact CG2-CG2 4.04Å; V467-L491 HydrophobicContact CG1-CB 3.75Å; V467-L491 HydrophobicContact CG1-CD1 3.5Å; V467-L491 VanDerWaalsContact CG1-CD1 3.5Å; V467-L491 HydrophobicContact CG1-CG 4.16Å; V467-K492 CarbonylContact C-O 3.57Å; V467-K492 WeakPolarHBondContact CA-O 3.19Å; V467-F493 HydrophobicContact CG1-CZ 4.41Å; V467-F493 HydrophobicContact CG2-CD1 3.92Å; V467-F493 HydrophobicContact CG2-CE1 3.82Å; V467-F493 HydrophobicContact CG2-CZ 4.44Å
468E97.2Very high95.6Very high82 Ų8246 Ų4638%0.38326%0.263SS..EExtended strand (participates in β ladder)trans-124.3155.7-173.2-64.8-179.5175.400111.2K492 V494E468-K492 HydrophobicContact CB-CB 4.43Å; E468-K492 PolarHBondContact N-O 3.4Å; E468-K492 PolarHBondContact O-N 3.5Å; E468-V494 HydrophobicContact CG-CG2 4.18Å; E468-V494 WeakPolarHBondContact OE2-CG2 3.35Å
469T97.2Very high95.2Very high66 Ų6647.5 Ų47.541%0.40527%0.27SS..  trans-70.7154.1166.665.60000110.7A324 T325 T473A324-T469 HydrophobicContact CB-CG2 4.37Å; A324-T469 WeakPolarHBondContact O-CG2 3.47Å; T325-T469 HydrophobicContact CG2-CG2 3.83Å; T469-T473 WeakPolarHBondContact CA-OG1 3.12Å; T469-T473 HydrophobicContact CG2-CG2 4Å
470C95.1Very high94.7Very high35 Ų3549.5 Ų49.524%0.23628%0.28CS..  trans-135.9177.317465.90000110.2D472 T473 K492C470-D472 PolarHBondContact O-N 3.18Å; C470-T473 PolarHBondContact N-OG1 3.2Å; C470-T473 WeakPolarHBondContact O-CB 3.49Å; C470-T473 PolarHBondContact O-N 3.49Å; C470-T473 PolarHBondContact O-OG1 3.48Å; C470-T473 PolarHBondContact SG-OG1 3.18Å; C470-K492 HydrophobicContact CB-CB 4.33Å
471A94.7Very high93.9Very high109 Ų10954.7 Ų54.790%0.90130%0.299SS*.THydrogen-bonded Turntrans-56.9-26.3-178.100000113.8
472D95.1Very high93Very high85 Ų8558.2 Ų58.246%0.45531%0.314SS..THydrogen-bonded Turntrans-89.5-6.9178.1-77.2-9.6000113.7S168 C470 M474 K490S168-D472 PolarHBondContact OG-OD2 3.01Å; C470-D472 PolarHBondContact O-N 3.18Å; D472-M474 PolarHBondContact O-N 3.43Å; D472-K490 HydrophobicContact CB-CB 4.06Å; D472-K490 HydrophobicContact CB-CD 3.56Å; D472-K490 WeakPolarHBondContact OD2-CD 3.47Å; D472-K490 IonicContact OD2-NZ 2.7Å; D472-K490 PolarHBondContact OD2-NZ 3.16Å
473T96.7Very high92.4Very high20 Ų2059 Ų5912%0.12332%0.317CS..  trans-72123.4-178.4-56.20000110.6T469 C470 V475 K490 L491T469-T473 WeakPolarHBondContact CA-OG1 3.12Å; T469-T473 HydrophobicContact CG2-CG2 4Å; C470-T473 PolarHBondContact N-OG1 3.2Å; C470-T473 WeakPolarHBondContact O-CB 3.49Å; C470-T473 PolarHBondContact O-N 3.49Å; C470-T473 PolarHBondContact O-OG1 3.48Å; C470-T473 PolarHBondContact SG-OG1 3.18Å; T473-V475 HydrophobicContact CG2-CG2 3.9Å; T473-K490 WeakPolarHBondContact CB-O 3.35Å; T473-K490 PolarHBondContact OG1-O 2.99Å; T473-L491 HydrophobicContact CG2-CD2 3.79Å
474M95.2Very high92.1Very high33 Ų3361.5 Ų61.516%0.16333%0.329CS..  trans-84.9114.5177.1-174.7-174.2-71.100110.8H321 D472 P476 Q478 T486 K487H321-M474 PolarHBondContact CE1-O 2.9Å; H321-M474 PolarHBondContact NE2-O 3.49Å; D472-M474 PolarHBondContact O-N 3.43Å; M474-P476 WeakPolarHBondContact CG-O 3.49Å; M474-Q478 HydrophobicContact SD-CB 3.73Å; M474-Q478 HydrophobicContact SD-CG 4.01Å; M474-Q478 PolarHBondContact SD-N 2.75Å; M474-T486 WeakPolarHBondContact CE-OG1 3.26Å; M474-K487 HydrophobicContact CE-CB 3.51Å; M474-K487 HydrophobicContact CE-CD 3.62Å; M474-K487 HydrophobicContact CE-CG 3.48Å; M474-K487 VanDerWaalsContact CE-CG 3.48Å
475V93.8Very high91.9Very high96 Ų9658.5 Ų58.558%0.58232%0.32SS*.SBendtrans-127.4117.1177.9-1720000109.4T325 T473T325-V475 HydrophobicContact CG2-CG1 4.13Å; T325-V475 HydrophobicContact CG2-CG2 3.67Å; T473-V475 HydrophobicContact CG2-CG2 3.9Å
476P91Very high91.7Very high102 Ų10260.7 Ų60.766%0.66234%0.336SS*.SBendcis-73.4159.6-11.233.3-35.8000112M474 Q478M474-P476 WeakPolarHBondContact CG-O 3.49Å; P476-Q478 PolarHBondContact O-N 2.99Å
477I93Very high91.5Very high19 Ų1966.4 Ų66.410%0.09736%0.358CS..PPolyproline II helixtrans-58.8127.3172.5-56.4-177.8000110Y318 H321 I369 F479 P485 V489Y318-I477 HydrophobicContact CD1-CD1 3.97Å; Y318-I477 HydrophobicContact CE1-CD1 4.26Å; H321-I477 HydrophobicContact CB-CD1 4.39Å; H321-I477 VanDerWaalsContact CD2-CD1 3.48Å; H321-I477 WeakPolarHBondContact CD2-CD1 3.21Å; H321-I477 WeakPolarHBondContact NE2-CG1 3.42Å; I369-I477 HydrophobicContact CD1-CD1 3.99Å; I477-F479 HydrophobicContact CB-CE2 3.97Å; I477-F479 HydrophobicContact CB-CZ 3.97Å; I477-F479 HydrophobicContact CG2-CD1 4.41Å; I477-F479 HydrophobicContact CG2-CD2 4.32Å; I477-F479 HydrophobicContact CG2-CE1 3.86Å; I477-F479 HydrophobicContact CG2-CE2 3.76Å; I477-F479 HydrophobicContact CG2-CZ 3.49Å; I477-F479 VanDerWaalsContact CG2-CZ 3.49Å; I477-P485 HydrophobicContact CG2-CB 4.01Å; I477-P485 HydrophobicContact CG2-CG 4.24Å; I477-V489 HydrophobicContact CD1-CG2 3.85Å
478Q91.6Very high91.4Very high123 Ų12369.7 Ų69.758%0.57538%0.379SS*.PPolyproline II helixtrans-97.5130.9172.8-62.1-177.8-9.200109.7M474 P476 T486M474-Q478 HydrophobicContact SD-CB 3.73Å; M474-Q478 HydrophobicContact SD-CG 4.01Å; M474-Q478 PolarHBondContact SD-N 2.75Å; P476-Q478 PolarHBondContact O-N 2.99Å; Q478-T486 HydrophobicContact CB-CG2 4.32Å; Q478-T486 WeakPolarHBondContact O-CG2 3.3Å; Q478-T486 PolarHBondContact O-N 3.49Å; Q478-T486 PolarHBondContact O-OG1 3.1Å; Q478-T486 VanDerWaalsContact O-OG1 3.09Å
479F90.6Very high91.3Very high34 Ų3466.4 Ų66.415%0.14936%0.364CS..BIsolated β-bridgetrans-107.4144.4-178.3-63.5-85000111.6L57 Y318 I369 I477 F483 Q484 P485L57-F479 HydrophobicContact CD1-CD2 3.88Å; L57-F479 HydrophobicContact CD1-CE2 4.49Å; Y318-F479 HydrophobicContact CE1-CE1 4.34Å; Y318-F479 AromaticContact CZ-CE1 3.89Å; I369-F479 HydrophobicContact CG2-CE1 4.38Å; I369-F479 HydrophobicContact CG2-CE2 4.28Å; I369-F479 HydrophobicContact CG2-CZ 3.56Å; I477-F479 HydrophobicContact CB-CE2 3.97Å; I477-F479 HydrophobicContact CB-CZ 3.97Å; I477-F479 HydrophobicContact CG2-CD1 4.41Å; I477-F479 HydrophobicContact CG2-CD2 4.32Å; I477-F479 HydrophobicContact CG2-CE1 3.86Å; I477-F479 HydrophobicContact CG2-CE2 3.76Å; I477-F479 HydrophobicContact CG2-CZ 3.49Å; I477-F479 VanDerWaalsContact CG2-CZ 3.49Å; F479-F483 HydrophobicContact CB-CD2 4.16Å; F479-F483 HydrophobicContact CD1-CD2 4.01Å; F479-F483 HydrophobicContact CD1-CE2 4.13Å; F479-F483 HydrophobicContact CD1-CG 4.37Å; F479-F483 HydrophobicContact CD2-CD2 4.49Å; F479-F483 HydrophobicContact CD2-CE2 4.22Å; F479-F483 HydrophobicContact CE1-CE2 4.32Å; F479-F483 HydrophobicContact CE1-CZ 4.38Å; F479-F483 HydrophobicContact CE2-CE2 4.41Å; F479-F483 AromaticContact CG-CD2 3.95Å; F479-F483 HydrophobicContact CG-CD2 3.95Å; F479-F483 HydrophobicContact CG-CE2 4.08Å; F479-F483 HydrophobicContact CZ-CE2 4.47Å; F479-Q484 CarbonylContact C-O 3.49Å; F479-Q484 VanDerWaalsContact CA-O 3.3Å; F479-Q484 WeakPolarHBondContact CA-O 3.41Å; F479-P485 HydrophobicContact CD1-CG 4.48Å; F479-P485 HydrophobicContact CE1-CG 4.1Å
480D85.8Confident91.3Very high41 Ų4166.1 Ų66.122%0.21936%0.358CS..  trans-78.6-174.8170.978.3-3000112K482 F483 Q484 T486D480-K482 PolarHBondContact O-N 2.83Å; D480-K482 VanDerWaalsContact OD1-CA 3.32Å; D480-K482 WeakPolarHBondContact OD1-CA 3.33Å; D480-K482 WeakPolarHBondContact OD1-CB 3.47Å; D480-K482 PolarHBondContact OD1-N 2.82Å; D480-F483 PolarHBondContact O-N 2.88Å; D480-F483 VanDerWaalsContact O-N 3.07Å; D480-F483 PolarHBondContact OD1-N 3.07Å; D480-F483 VanDerWaalsContact OD1-N 3.08Å; D480-Q484 PolarHBondContact N-O 2.92Å; D480-Q484 PolarHBondContact OD1-N 2.69Å; D480-T486 HydrophobicContact CB-CG2 4.3Å
481W80.4Confident91.5Very high119 Ų11964.4 Ų64.445%0.45135%0.346SS..THydrogen-bonded Turntrans-66.8-17.2179.170.1-90000114.1F52 F214 F483F52-W481 HydrophobicContact CB-CB 4.04Å; F52-W481 VanDerWaalsContact O-CB 3.3Å; F52-W481 WeakPolarHBondContact O-CB 3.3Å; F214-W481 HydrophobicContact CD1-CH2 4.04Å; F214-W481 HydrophobicContact CE1-CH2 4.49Å; F214-W481 HydrophobicContact CG-CH2 4.24Å; W481-F483 VanDerWaalsContact C-N 3.34Å
482K77.6Confident91.6Very high73 Ų7363.1 Ų63.132%0.31732%0.32SS..THydrogen-bonded Turntrans-92.83.3175-57.5178.5-175.21710112.4F214 D480 Q484F214-K482 HydrophobicContact CD2-CD 4.38Å; F214-K482 HydrophobicContact CE2-CD 3.82Å; F214-K482 HydrophobicContact CZ-CD 4.01Å; D480-K482 PolarHBondContact O-N 2.83Å; D480-K482 VanDerWaalsContact OD1-CA 3.32Å; D480-K482 WeakPolarHBondContact OD1-CA 3.33Å; D480-K482 WeakPolarHBondContact OD1-CB 3.47Å; D480-K482 PolarHBondContact OD1-N 2.82Å; K482-Q484 VanDerWaalsContact C-N 3.27Å; K482-Q484 HydrophobicContact CB-CG 4.24Å; K482-Q484 PolarHBondContact O-N 3.29Å
483F86Confident91.7Very high16 Ų1659.1 Ų59.17%0.0730%0.299CS..SBendtrans60.836.8-172.5-169.9-106000112.7L56 L57 P370 P373 F479 D480 W481L56-F483 HydrophobicContact CD2-CB 4.17Å; L57-F483 HydrophobicContact CD1-CD2 4.14Å; L57-F483 HydrophobicContact CD1-CE2 3.71Å; L57-F483 HydrophobicContact CD2-CD2 3.59Å; L57-F483 HydrophobicContact CD2-CE2 3.44Å; L57-F483 VanDerWaalsContact CD2-CE2 3.44Å; L57-F483 HydrophobicContact CG-CD2 3.99Å; L57-F483 HydrophobicContact CG-CE2 3.95Å; P370-F483 WeakPolarHBondContact O-CE1 3.24Å; P370-F483 VanDerWaalsContact O-CZ 3.25Å; P370-F483 WeakPolarHBondContact O-CZ 3.45Å; P373-F483 HydrophobicContact CB-CD1 3.91Å; P373-F483 HydrophobicContact CB-CD2 4.03Å; P373-F483 HydrophobicContact CB-CE1 3.86Å; P373-F483 HydrophobicContact CB-CE2 3.95Å; P373-F483 HydrophobicContact CB-CG 3.99Å; P373-F483 HydrophobicContact CB-CZ 3.86Å; P373-F483 VanDerWaalsContact CD-CD1 3.5Å; P373-F483 HydrophobicContact CG-CB 3.99Å; P373-F483 HydrophobicContact CG-CD1 3.43Å; P373-F483 VanDerWaalsContact CG-CD1 3.43Å; P373-F483 HydrophobicContact CG-CD2 4.11Å; P373-F483 HydrophobicContact CG-CE1 3.84Å; P373-F483 HydrophobicContact CG-CE2 4.44Å; P373-F483 HydrophobicContact CG-CG 3.57Å; P373-F483 HydrophobicContact CG-CZ 4.31Å; F479-F483 HydrophobicContact CB-CD2 4.16Å; F479-F483 HydrophobicContact CD1-CD2 4.01Å; F479-F483 HydrophobicContact CD1-CE2 4.13Å; F479-F483 HydrophobicContact CD1-CG 4.37Å; F479-F483 HydrophobicContact CD2-CD2 4.49Å; F479-F483 HydrophobicContact CD2-CE2 4.22Å; F479-F483 HydrophobicContact CE1-CE2 4.32Å; F479-F483 HydrophobicContact CE1-CZ 4.38Å; F479-F483 HydrophobicContact CE2-CE2 4.41Å; F479-F483 AromaticContact CG-CD2 3.95Å; F479-F483 HydrophobicContact CG-CD2 3.95Å; F479-F483 HydrophobicContact CG-CE2 4.08Å; F479-F483 HydrophobicContact CZ-CE2 4.47Å; D480-F483 PolarHBondContact O-N 2.88Å; D480-F483 VanDerWaalsContact O-N 3.07Å; D480-F483 PolarHBondContact OD1-N 3.07Å; D480-F483 VanDerWaalsContact OD1-N 3.08Å; W481-F483 VanDerWaalsContact C-N 3.34Å
484Q86.8Confident91.6Very high90 Ų9060 Ų6042%0.42130%0.304SS..  trans-103.4145169-65-175.6-30.900109.9F479 D480 K482 T486F479-Q484 CarbonylContact C-O 3.49Å; F479-Q484 VanDerWaalsContact CA-O 3.3Å; F479-Q484 WeakPolarHBondContact CA-O 3.41Å; D480-Q484 PolarHBondContact N-O 2.92Å; D480-Q484 PolarHBondContact OD1-N 2.69Å; K482-Q484 VanDerWaalsContact C-N 3.27Å; K482-Q484 HydrophobicContact CB-CG 4.24Å; K482-Q484 PolarHBondContact O-N 3.29Å; Q484-T486 PolarHBondContact O-N 3.14Å
485P91.4Very high91.6Very high38 Ų3862.6 Ų62.625%0.24732%0.324CS..BIsolated β-bridgetrans-56.1131173.6-25.935.8000111.1Y318 I477 F479 K487 V489Y318-P485 HydrophobicContact CE1-CG 3.85Å; Y318-P485 WeakPolarHBondContact OH-CD 3.11Å; Y318-P485 WeakPolarHBondContact OH-CG 3.43Å; I477-P485 HydrophobicContact CG2-CB 4.01Å; I477-P485 HydrophobicContact CG2-CG 4.24Å; F479-P485 HydrophobicContact CD1-CG 4.48Å; F479-P485 HydrophobicContact CE1-CG 4.1Å; P485-K487 WeakPolarHBondContact CB-O 3.36Å; P485-K487 PolarHBondContact O-N 2.89Å; P485-V489 HydrophobicContact CG-CG2 4.35Å
486T91.4Very high91.5Very high70 Ų7060.4 Ų60.443%0.42931%0.305SS..SBendtrans-65.5-22.917953.40000113M474 Q478 D480 Q484M474-T486 WeakPolarHBondContact CE-OG1 3.26Å; Q478-T486 HydrophobicContact CB-CG2 4.32Å; Q478-T486 WeakPolarHBondContact O-CG2 3.3Å; Q478-T486 PolarHBondContact O-N 3.49Å; Q478-T486 PolarHBondContact O-OG1 3.1Å; Q478-T486 VanDerWaalsContact O-OG1 3.09Å; D480-T486 HydrophobicContact CB-CG2 4.3Å; Q484-T486 PolarHBondContact O-N 3.14Å
487K93.3Very high90.8Very high142 Ų14265.1 Ų65.162%0.61732%0.318SS*.SBendtrans-134.1154.8166.9-57.1179.9-175.8176.80109.2M474 P485M474-K487 HydrophobicContact CE-CB 3.51Å; M474-K487 HydrophobicContact CE-CD 3.62Å; M474-K487 HydrophobicContact CE-CG 3.48Å; M474-K487 VanDerWaalsContact CE-CG 3.48Å; P485-K487 WeakPolarHBondContact CB-O 3.36Å; P485-K487 PolarHBondContact O-N 2.89Å
488P94.9Very high89.4Confident70 Ų7070.4 Ų70.446%0.45535%0.346SS..  trans-55.9143.5174.9-2433.9000112.4D170 K490D170-P488 WeakPolarHBondContact OD2-CB 3.44Å; P488-K490 PolarHBondContact O-N 3Å; P488-K490 VanDerWaalsContact O-N 3.15Å
489V96.3Very high89.3Confident13 Ų1367.8 Ų67.88%0.07933%0.334CS..  trans-72.5107.3173.9179.70000108.1V171 Y318 H321 I477 P485V171-V489 HydrophobicContact CG2-CG1 4.25Å; V171-V489 WeakPolarHBondContact CG2-O 3.11Å; V171-V489 PolarHBondContact N-O 3.22Å; Y318-V489 HydrophobicContact CD1-CG2 4.4Å; Y318-V489 HydrophobicContact CE1-CG2 4.29Å; H321-V489 HydrophobicContact CB-CG1 3.87Å; I477-V489 HydrophobicContact CD1-CG2 3.85Å; P485-V489 HydrophobicContact CG-CG2 4.35Å
490K97.5Very high89.2Confident60 Ų6069.6 Ų69.626%0.26134%0.344SS..EExtended strand (participates in β ladder)trans-109.6131.4-179.5-75.7179.8162.2-151.50111.4S168 I169 D472 T473 P488S168-K490 PolarHBondContact OG-NZ 3.41Å; S168-K490 VanDerWaalsContact OG-NZ 3.12Å; I169-K490 VanDerWaalsContact O-CA 3.24Å; I169-K490 WeakPolarHBondContact O-CA 3.47Å; D472-K490 HydrophobicContact CB-CB 4.06Å; D472-K490 HydrophobicContact CB-CD 3.56Å; D472-K490 WeakPolarHBondContact OD2-CD 3.47Å; D472-K490 IonicContact OD2-NZ 2.7Å; D472-K490 PolarHBondContact OD2-NZ 3.16Å; T473-K490 WeakPolarHBondContact CB-O 3.35Å; T473-K490 PolarHBondContact OG1-O 2.99Å; P488-K490 PolarHBondContact O-N 3Å; P488-K490 VanDerWaalsContact O-N 3.15Å
491L97.6Very high89.4Confident0 Ų071.2 Ų71.20%035%0.351CS..EExtended strand (participates in β ladder)trans-137.4168.4179.2-61.9175.7000110.6I169 V171 L320 H321 A324 V467 T473 F493I169-L491 PolarHBondContact N-O 2.75Å; I169-L491 PolarHBondContact O-N 3.35Å; V171-L491 HydrophobicContact CG2-CB 3.8Å; V171-L491 HydrophobicContact CG2-CD1 3.62Å; V171-L491 HydrophobicContact CG2-CG 3.67Å; L320-L491 HydrophobicContact CB-CD1 3.96Å; H321-L491 HydrophobicContact CB-CD1 4.47Å; A324-L491 HydrophobicContact CB-CD1 4.13Å; A324-L491 HydrophobicContact CB-CD2 3.67Å; A324-L491 HydrophobicContact CB-CG 4.49Å; V467-L491 HydrophobicContact CG1-CB 3.75Å; V467-L491 HydrophobicContact CG1-CD1 3.5Å; V467-L491 VanDerWaalsContact CG1-CD1 3.5Å; V467-L491 HydrophobicContact CG1-CG 4.16Å; T473-L491 HydrophobicContact CG2-CD2 3.79Å; L491-F493 HydrophobicContact CB-CE2 4.49Å
492K96.9Very high89.9Confident81 Ų8168.4 Ų68.435%0.35235%0.345SS..EExtended strand (participates in β ladder)trans-110139.6171.8-172.9-176.9-179.7-168.40109.5V467 E468 C470 V494V467-K492 CarbonylContact C-O 3.57Å; V467-K492 WeakPolarHBondContact CA-O 3.19Å; E468-K492 HydrophobicContact CB-CB 4.43Å; E468-K492 PolarHBondContact N-O 3.4Å; E468-K492 PolarHBondContact O-N 3.5Å; C470-K492 HydrophobicContact CB-CB 4.33Å; K492-V494 HydrophobicContact CD-CG2 4.1Å; K492-V494 HydrophobicContact CG-CG2 4.14Å
493F97Very high90.7Very high2 Ų268.1 Ų68.11%0.00935%0.347CS..EExtended strand (participates in β ladder)trans-110119.1176.6-70.1-108.1000108.3L160 L165 I169 V171 L174 L320 I461 Y465 V467 L491L160-F493 HydrophobicContact CD2-CD1 4.34Å; L165-F493 HydrophobicContact CD1-CB 4.26Å; L165-F493 HydrophobicContact CD2-CB 4.37Å; I169-F493 HydrophobicContact CB-CD2 4.37Å; I169-F493 HydrophobicContact CB-CE2 4.34Å; I169-F493 HydrophobicContact CD1-CD2 3.91Å; V171-F493 HydrophobicContact CG2-CE2 4.47Å; L174-F493 HydrophobicContact CD2-CE1 4.27Å; L174-F493 HydrophobicContact CD2-CE2 3.95Å; L174-F493 HydrophobicContact CD2-CZ 3.73Å; L320-F493 HydrophobicContact CD1-CZ 4.3Å; I461-F493 HydrophobicContact CD1-CE1 4.46Å; I461-F493 HydrophobicContact CG2-CD1 4.2Å; I461-F493 HydrophobicContact CG2-CE1 3.95Å; Y465-F493 HydrophobicContact CD1-CB 4.35Å; V467-F493 HydrophobicContact CG1-CZ 4.41Å; V467-F493 HydrophobicContact CG2-CD1 3.92Å; V467-F493 HydrophobicContact CG2-CE1 3.82Å; V467-F493 HydrophobicContact CG2-CZ 4.44Å; L491-F493 HydrophobicContact CB-CE2 4.49Å
494V95.6Very high91Very high39 Ų3971.5 Ų71.524%0.23637%0.365CS..EExtended strand (participates in β ladder)trans-113121.3-175.6-178.40000108.7Y465 S466 E468 K492 R496Y465-V494 CarbonylContact C-O 3.59Å; Y465-V494 VanDerWaalsContact CA-O 3.23Å; Y465-V494 WeakPolarHBondContact CA-O 3.37Å; S466-V494 PolarHBondContact N-O 3.47Å; S466-V494 PolarHBondContact O-N 3.42Å; E468-V494 HydrophobicContact CG-CG2 4.18Å; E468-V494 WeakPolarHBondContact OE2-CG2 3.35Å; K492-V494 HydrophobicContact CD-CG2 4.1Å; K492-V494 HydrophobicContact CG-CG2 4.14Å; V494-R496 PolarHBondContact O-N 3.01Å
495P94.9Very high91.3Very high87 Ų8770.2 Ų70.257%0.56536%0.361SS*.EExtended strand (participates in β ladder)trans-53.8137.4174.9-23.631.9000111.3Y465Y465-P495 HydrophobicContact CD1-CB 4.42Å; Y465-P495 HydrophobicContact CD1-CG 4.23Å; Y465-P495 HydrophobicContact CE1-CB 4.33Å; Y465-P495 HydrophobicContact CE1-CG 3.95Å
496R91.9Very high91.3Very high49 Ų4972.7 Ų72.719%0.18537%0.37CS..  trans-80.7133.3175.2-65.5177.167.4-152.3-10.8109.7D338 L462 K464 V494 L498D338-R496 IonicContact OD1-CZ 3.47Å; D338-R496 IonicContact OD1-NH1 3.37Å; D338-R496 PolarHBondContact OD1-NH1 3.2Å; D338-R496 IonicContact OD1-NH2 2.67Å; D338-R496 IonicContact OD2-CZ 2.67Å; D338-R496 IonicContact OD2-NH1 2.73Å; D338-R496 PolarHBondContact OD2-NH1 2.9Å; D338-R496 IonicContact OD2-NH2 3.22Å; D338-R496 PolarHBondContact OD2-NH2 2.9Å; L462-R496 WeakPolarHBondContact O-CD 3.18Å; L462-R496 PolarHBondContact O-NH1 3.04Å; K464-R496 PolarHBondContact O-N 3.4Å; V494-R496 PolarHBondContact O-N 3.01Å; R496-L498 HydrophobicContact CB-CD2 4.32Å; R496-L498 HydrophobicContact CB-CG 4.27Å; R496-L498 PolarHBondContact O-N 3.13Å
497E76.1Confident91.3Very high202 Ų20272.9 Ų72.994%0.94437%0.365SS*.  trans-76.8110.7161.6-63.6-175.5177.100107
498L63.5Low91.1Very high130 Ų13066.6 Ų66.668%0.68134%0.342SS*.  trans-98.80-169-81.8178.3000114.1K343 R496K343-L498 PolarHBondContact NZ-OXT 2.77Å; R496-L498 HydrophobicContact CB-CD2 4.32Å; R496-L498 HydrophobicContact CB-CG 4.27Å; R496-L498 PolarHBondContact O-N 3.13Å

Retrieved 498 of 498 residues in 553.8 ms (Link to these results)

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