A0A093H4D7_STRCA Loading...

Hyaluronan synthase 2

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

AlphaFold DB , UniProt , Accession A0A093H4D7, Species STRCA (Struthio camelus australis), Gene n/a, Length 552 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
1M62.5Low85.5Confident153 Ų153120.6 Ų120.675%0.75456%0.562SS**  0-720-73.2-171.37500115.6E4 R5M1-E4 WeakPolarHBondContact CA-OE2 3.21Å; M1-E4 PolarHBondContact N-OE2 2.86Å; M1-E4 PolarHBondContact O-N 3.24Å; M1-R5 WeakPolarHBondContact O-CG 3.44Å; M1-R5 PolarHBondContact O-N 3.35Å
2Y71.6Confident86.3Confident210 Ų210116 Ų11682%0.82454%0.543SS*.Hα-helixtrans-63.8-43.1-177.6-81-81.4000113.3R5 F6Y2-R5 PolarHBondContact O-N 2.92Å; Y2-F6 WeakPolarHBondContact O-CB 3.37Å; Y2-F6 PolarHBondContact O-N 3.5Å
3C77.9Confident87Confident86 Ų86115.5 Ų115.558%0.58155%0.545SS*.Hα-helixtrans-63.6-41.3177.2-169.50000112.4F6 I7C3-F6 PolarHBondContact O-N 3.47Å; C3-I7 VanDerWaalsContact O-CG1 3.27Å; C3-I7 WeakPolarHBondContact O-CG1 3.27Å; C3-I7 PolarHBondContact O-N 3.42Å
4E82.8Confident87.7Confident132 Ų132110.1 Ų110.162%0.61754%0.536SS*.Hα-helixtrans-68.8-40.4178.4-66.8164.8137.900112.6M1 F6 I7 C8M1-E4 WeakPolarHBondContact CA-OE2 3.21Å; M1-E4 PolarHBondContact N-OE2 2.86Å; M1-E4 PolarHBondContact O-N 3.24Å; E4-F6 VanDerWaalsContact C-N 3.31Å; E4-F6 PolarHBondContact O-N 3.03Å; E4-I7 PolarHBondContact O-N 2.89Å; E4-C8 VanDerWaalsContact O-CB 3.3Å; E4-C8 WeakPolarHBondContact O-CB 3.31Å; E4-C8 PolarHBondContact O-N 3.35Å
5R87.8Confident88.3Confident165 Ų165103.7 Ų103.762%0.62351%0.505SS*.Hα-helixtrans-62-42172.8-75.9-175.9178.6-178-0.3110.9M1 Y2 C8 I9M1-R5 WeakPolarHBondContact O-CG 3.44Å; M1-R5 PolarHBondContact O-N 3.35Å; Y2-R5 PolarHBondContact O-N 2.92Å; R5-C8 WeakPolarHBondContact O-CB 3.14Å; R5-C8 PolarHBondContact O-N 2.98Å; R5-I9 VanDerWaalsContact O-CG1 3.29Å; R5-I9 WeakPolarHBondContact O-CG1 3.34Å; R5-I9 PolarHBondContact O-N 3.31Å
6F91.6Very high88.8Confident124 Ų124102.5 Ų102.554%0.54451%0.506SS..Hα-helixtrans-63.4-47.5176.9-177.3-107.9000112.2Y2 C3 E4 C8 I9 L10Y2-F6 WeakPolarHBondContact O-CB 3.37Å; Y2-F6 PolarHBondContact O-N 3.5Å; C3-F6 PolarHBondContact O-N 3.47Å; E4-F6 VanDerWaalsContact C-N 3.31Å; E4-F6 PolarHBondContact O-N 3.03Å; F6-C8 VanDerWaalsContact C-N 3.29Å; F6-C8 PolarHBondContact O-N 2.9Å; F6-I9 PolarHBondContact O-N 3.14Å; F6-L10 HydrophobicContact CD1-CD1 3.86Å; F6-L10 HydrophobicContact CD1-CG 4.39Å; F6-L10 HydrophobicContact CE1-CD1 3.38Å; F6-L10 HydrophobicContact CE1-CG 4.07Å; F6-L10 HydrophobicContact CE2-CG 4.46Å; F6-L10 HydrophobicContact CZ-CD1 3.79Å; F6-L10 HydrophobicContact CZ-CD2 4.23Å; F6-L10 HydrophobicContact CZ-CG 4.1Å; F6-L10 WeakPolarHBondContact O-CG 3.2Å; F6-L10 PolarHBondContact O-N 2.81Å
7I91.4Very high89.2Confident74 Ų74103.2 Ų103.238%0.37951%0.512SS..Hα-helixtrans-59.8-41.2175.4-68.5165.1000111C3 E4 L10 R11C3-I7 VanDerWaalsContact O-CG1 3.27Å; C3-I7 WeakPolarHBondContact O-CG1 3.27Å; C3-I7 PolarHBondContact O-N 3.42Å; E4-I7 PolarHBondContact O-N 2.89Å; I7-L10 PolarHBondContact O-N 3.35Å; I7-R11 WeakPolarHBondContact O-CG 3.48Å; I7-R11 PolarHBondContact O-N 3.44Å
8C91.2Very high89.7Confident53 Ų53101.4 Ų101.436%0.35850%0.501SS..Hα-helixtrans-60.6-47.9176.6-173.90000111.5E4 R5 F6 L10 R11 I12E4-C8 VanDerWaalsContact O-CB 3.3Å; E4-C8 WeakPolarHBondContact O-CB 3.31Å; E4-C8 PolarHBondContact O-N 3.35Å; R5-C8 WeakPolarHBondContact O-CB 3.14Å; R5-C8 PolarHBondContact O-N 2.98Å; F6-C8 VanDerWaalsContact C-N 3.29Å; F6-C8 PolarHBondContact O-N 2.9Å; C8-L10 VanDerWaalsContact C-N 3.34Å; C8-L10 PolarHBondContact O-N 3.33Å; C8-R11 PolarHBondContact O-N 3.14Å; C8-I12 WeakPolarHBondContact O-CG1 3.3Å; C8-I12 PolarHBondContact O-N 3Å
9I93.7Very high90Very high92 Ų9296.6 Ų96.647%0.47248%0.48SS..Hα-helixtrans-60.2-44.4176.5-67.6165.4000110.8R5 F6 R11 I12 L13R5-I9 VanDerWaalsContact O-CG1 3.29Å; R5-I9 WeakPolarHBondContact O-CG1 3.34Å; R5-I9 PolarHBondContact O-N 3.31Å; F6-I9 PolarHBondContact O-N 3.14Å; I9-R11 VanDerWaalsContact C-N 3.33Å; I9-R11 PolarHBondContact O-N 2.83Å; I9-I12 PolarHBondContact O-N 2.79Å; I9-L13 HydrophobicContact CG2-CD1 3.94Å; I9-L13 HydrophobicContact CG2-CG 4.31Å; I9-L13 WeakPolarHBondContact O-CG 3.2Å; I9-L13 PolarHBondContact O-N 3.04Å
10L95.1Very high90.3Very high89 Ų8995.4 Ų95.447%0.46648%0.478SS..Hα-helixtrans-60.7-40.7176.4-73-179.8000112.4F6 I7 C8 G14F6-L10 HydrophobicContact CD1-CD1 3.86Å; F6-L10 HydrophobicContact CD1-CG 4.39Å; F6-L10 HydrophobicContact CE1-CD1 3.38Å; F6-L10 HydrophobicContact CE1-CG 4.07Å; F6-L10 HydrophobicContact CE2-CG 4.46Å; F6-L10 HydrophobicContact CZ-CD1 3.79Å; F6-L10 HydrophobicContact CZ-CD2 4.23Å; F6-L10 HydrophobicContact CZ-CG 4.1Å; F6-L10 WeakPolarHBondContact O-CG 3.2Å; F6-L10 PolarHBondContact O-N 2.81Å; I7-L10 PolarHBondContact O-N 3.35Å; C8-L10 VanDerWaalsContact C-N 3.34Å; C8-L10 PolarHBondContact O-N 3.33Å; L10-G14 PolarHBondContact O-N 3.12Å
11R94.6Very high90.6Very high149 Ų14993.9 Ų93.956%0.56248%0.476SS*.Hα-helixtrans-65.1-42.7174.9-73.7-177.5-179.9-170.41.4111.8I7 C8 I9 G14 T15 H370I7-R11 WeakPolarHBondContact O-CG 3.48Å; I7-R11 PolarHBondContact O-N 3.44Å; C8-R11 PolarHBondContact O-N 3.14Å; I9-R11 VanDerWaalsContact C-N 3.33Å; I9-R11 PolarHBondContact O-N 2.83Å; R11-G14 PolarHBondContact O-N 2.6Å; R11-T15 VanDerWaalsContact O-CB 3.3Å; R11-T15 WeakPolarHBondContact O-CB 3.48Å; R11-T15 PolarHBondContact O-N 3.46Å; R11-T15 PolarHBondContact O-OG1 2.45Å; R11-T15 VanDerWaalsContact O-OG1 3.07Å; R11-H370 HydrophobicContact CB-CB 4.2Å
12I95.5Very high92.2Very high65 Ų6588.2 Ų88.233%0.33345%0.449SS..Hα-helixtrans-57.9-54.5175.3-68.2164.7000109.7C8 I9 G14 T15 T16 H370C8-I12 WeakPolarHBondContact O-CG1 3.3Å; C8-I12 PolarHBondContact O-N 3Å; I9-I12 PolarHBondContact O-N 2.79Å; I12-G14 PolarHBondContact O-N 3.49Å; I12-T15 PolarHBondContact O-N 3.47Å; I12-T16 VanDerWaalsContact O-CB 3.3Å; I12-T16 WeakPolarHBondContact O-CB 3.25Å; I12-T16 PolarHBondContact O-N 2.79Å; I12-T16 PolarHBondContact O-OG1 3.06Å; I12-H370 HydrophobicContact CB-CB 4.43Å; I12-H370 HydrophobicContact CG1-CB 3.86Å; I12-H370 VanDerWaalsContact CG1-CG 3.4Å
13L96Very high93.3Very high110 Ų11080.1 Ų80.158%0.57642%0.42SS*.Hα-helixtrans-59.8-45.8-179.8-69.1175000111.9I9 L17I9-L13 HydrophobicContact CG2-CD1 3.94Å; I9-L13 HydrophobicContact CG2-CG 4.31Å; I9-L13 WeakPolarHBondContact O-CG 3.2Å; I9-L13 PolarHBondContact O-N 3.04Å; L13-L17 WeakPolarHBondContact O-CB 3.41Å; L13-L17 PolarHBondContact O-N 3.08Å
14G96.8Very high94.1Very high40 Ų4081.4 Ų81.441%0.41242%0.42SS..Hα-helixtrans-62.8-48179.800000112.9L10 R11 I12 L17 F18L10-G14 PolarHBondContact O-N 3.12Å; R11-G14 PolarHBondContact O-N 2.6Å; I12-G14 PolarHBondContact O-N 3.49Å; G14-L17 PolarHBondContact O-N 2.88Å; G14-F18 WeakPolarHBondContact O-CB 3.48Å; G14-F18 PolarHBondContact O-N 2.86Å
15T96.3Very high94.5Very high13 Ų1377 Ų778%0.0841%0.41CS..Hα-helixtrans-67.7-39.8179.4-61.60000111.8R11 I12 F18 G19 F369 L374 T377R11-T15 VanDerWaalsContact O-CB 3.3Å; R11-T15 WeakPolarHBondContact O-CB 3.48Å; R11-T15 PolarHBondContact O-N 3.46Å; R11-T15 PolarHBondContact O-OG1 2.45Å; R11-T15 VanDerWaalsContact O-OG1 3.07Å; I12-T15 PolarHBondContact O-N 3.47Å; T15-F18 PolarHBondContact O-N 3.15Å; T15-G19 PolarHBondContact O-N 2.94Å; T15-F369 HydrophobicContact CG2-CB 3.79Å; T15-L374 HydrophobicContact CG2-CD2 4.37Å; T15-T377 HydrophobicContact CG2-CG2 4.02Å; T15-T377 WeakPolarHBondContact CG2-OG1 3.32Å
16T95.6Very high94.6Very high85 Ų8569.6 Ų69.652%0.52138%0.383SS..Hα-helixtrans-64.6-46.3174.8-63.50000111.2I12 F18 G19 V20I12-T16 VanDerWaalsContact O-CB 3.3Å; I12-T16 WeakPolarHBondContact O-CB 3.25Å; I12-T16 PolarHBondContact O-N 2.79Å; I12-T16 PolarHBondContact O-OG1 3.06Å; T16-F18 VanDerWaalsContact C-N 3.32Å; T16-F18 PolarHBondContact O-N 3.22Å; T16-G19 PolarHBondContact O-N 2.77Å; T16-V20 HydrophobicContact CG2-CG2 4.35Å; T16-V20 WeakPolarHBondContact O-CG2 3.48Å; T16-V20 PolarHBondContact O-N 2.91Å
17L97Very high94.6Very high114 Ų11465.6 Ų65.660%0.59737%0.369SS*.Hα-helixtrans-60.7-42.1177.2-179.662.6000111.4L13 G14 S21L13-L17 WeakPolarHBondContact O-CB 3.41Å; L13-L17 PolarHBondContact O-N 3.08Å; G14-L17 PolarHBondContact O-N 2.88Å; L17-S21 WeakPolarHBondContact O-CB 3.36Å; L17-S21 PolarHBondContact O-N 3.02Å; L17-S21 PolarHBondContact O-OG 3.4Å
18F97.5Very high94.5Very high71 Ų7164.4 Ų64.431%0.31137%0.37SS..Hα-helixtrans-58.5-50.7174.1171.1-104.7000111.7G14 T15 T16 V20 S21 L22 L374 T377G14-F18 WeakPolarHBondContact O-CB 3.48Å; G14-F18 PolarHBondContact O-N 2.86Å; T15-F18 PolarHBondContact O-N 3.15Å; T16-F18 VanDerWaalsContact C-N 3.32Å; T16-F18 PolarHBondContact O-N 3.22Å; F18-V20 PolarHBondContact O-N 3.45Å; F18-S21 PolarHBondContact O-N 3.02Å; F18-L22 VanDerWaalsContact O-CB 3.3Å; F18-L22 WeakPolarHBondContact O-CB 3.31Å; F18-L22 PolarHBondContact O-N 3.37Å; F18-L374 HydrophobicContact CD1-CD2 3.98Å; F18-L374 HydrophobicContact CE1-CB 4.2Å; F18-L374 HydrophobicContact CE1-CD2 4.46Å; F18-L374 HydrophobicContact CG-CD2 4.32Å; F18-T377 HydrophobicContact CD1-CG2 4.08Å; F18-T377 HydrophobicContact CE1-CG2 4.49Å
19G96.1Very high94.3Very high10 Ų1062.2 Ų62.210%0.10336%0.356CS..Hα-helixtrans-61.5-44.8179.800000113.1T15 T16 L22 L23T15-G19 PolarHBondContact O-N 2.94Å; T16-G19 PolarHBondContact O-N 2.77Å; G19-L22 PolarHBondContact O-N 3.27Å; G19-L23 PolarHBondContact O-N 3.18Å
20V96.2Very high94Very high73 Ų7360.1 Ų60.144%0.44234%0.342SS..Hα-helixtrans-65.5-45.7177.6172.30000111T16 F18 L22 L23 L24T16-V20 HydrophobicContact CG2-CG2 4.35Å; T16-V20 WeakPolarHBondContact O-CG2 3.48Å; T16-V20 PolarHBondContact O-N 2.91Å; F18-V20 PolarHBondContact O-N 3.45Å; V20-L22 VanDerWaalsContact C-N 3.31Å; V20-L22 PolarHBondContact O-N 3.18Å; V20-L23 PolarHBondContact O-N 3.37Å; V20-L24 HydrophobicContact CG1-CD1 3.8Å; V20-L24 HydrophobicContact CG1-CG 4.2Å; V20-L24 WeakPolarHBondContact O-CB 3.34Å; V20-L24 VanDerWaalsContact O-CG 3.32Å; V20-L24 WeakPolarHBondContact O-CG 3.47Å; V20-L24 PolarHBondContact O-N 3.33Å
21S96.4Very high93.6Very high63 Ų6362 Ų6244%0.44135%0.351SS..Hα-helixtrans-62.2-40.5179-58.20000111.6L17 F18 G25L17-S21 WeakPolarHBondContact O-CB 3.36Å; L17-S21 PolarHBondContact O-N 3.02Å; L17-S21 PolarHBondContact O-OG 3.4Å; F18-S21 PolarHBondContact O-N 3.02Å; S21-G25 PolarHBondContact O-N 2.62Å
22L94.8Very high93.1Very high35 Ų3560.2 Ų60.218%0.18336%0.357CS..Hα-helixtrans-61.7-48.2174.7179.666.7000111.5F18 G19 V20 G25 I26 Y378 V381F18-L22 VanDerWaalsContact O-CB 3.3Å; F18-L22 WeakPolarHBondContact O-CB 3.31Å; F18-L22 PolarHBondContact O-N 3.37Å; G19-L22 PolarHBondContact O-N 3.27Å; V20-L22 VanDerWaalsContact C-N 3.31Å; V20-L22 PolarHBondContact O-N 3.18Å; L22-G25 PolarHBondContact O-N 2.77Å; L22-I26 HydrophobicContact CD1-CD1 3.88Å; L22-I26 HydrophobicContact CD1-CG1 4.4Å; L22-I26 HydrophobicContact CG-CD1 3.89Å; L22-I26 WeakPolarHBondContact O-CD1 3.29Å; L22-I26 VanDerWaalsContact O-CG1 3.25Å; L22-I26 WeakPolarHBondContact O-CG1 3.25Å; L22-I26 PolarHBondContact O-N 3.47Å; L22-Y378 HydrophobicContact CD1-CD2 4.14Å; L22-Y378 HydrophobicContact CD1-CE2 4.24Å; L22-Y378 HydrophobicContact CD2-CD2 3.48Å; L22-Y378 VanDerWaalsContact CD2-CD2 3.48Å; L22-Y378 HydrophobicContact CD2-CE2 4.22Å; L22-Y378 HydrophobicContact CD2-CG 4.21Å; L22-Y378 HydrophobicContact CG-CD2 4.46Å; L22-V381 HydrophobicContact CD2-CB 3.91Å; L22-V381 HydrophobicContact CD2-CG1 3.94Å; L22-V381 HydrophobicContact CD2-CG2 4.41Å; L22-V381 HydrophobicContact CG-CG1 4.08Å
23L94.8Very high92.2Very high40 Ų4058.8 Ų58.821%0.20936%0.358CS..Hα-helixtrans-62.1-46.4178.417859.5000111.6G19 V20 I26 T27 V381 F385G19-L23 PolarHBondContact O-N 3.18Å; V20-L23 PolarHBondContact O-N 3.37Å; L23-I26 PolarHBondContact O-N 3.21Å; L23-T27 VanDerWaalsContact O-CB 3.27Å; L23-T27 WeakPolarHBondContact O-CB 3.48Å; L23-T27 PolarHBondContact O-N 3.35Å; L23-T27 PolarHBondContact O-OG1 3.06Å; L23-V381 HydrophobicContact CB-CG1 3.96Å; L23-V381 HydrophobicContact CD1-CG1 4.34Å; L23-F385 HydrophobicContact CD1-CB 4.05Å; L23-F385 HydrophobicContact CD1-CD1 3.8Å; L23-F385 HydrophobicContact CD1-CD2 3.68Å; L23-F385 HydrophobicContact CD1-CE1 4.14Å; L23-F385 HydrophobicContact CD1-CE2 4.04Å; L23-F385 HydrophobicContact CD1-CG 3.55Å; L23-F385 HydrophobicContact CD1-CZ 4.25Å; L23-F385 HydrophobicContact CD2-CD1 4.45Å; L23-F385 HydrophobicContact CD2-CD2 4.28Å; L23-F385 HydrophobicContact CD2-CE1 3.94Å; L23-F385 HydrophobicContact CD2-CE2 3.75Å; L23-F385 HydrophobicContact CD2-CZ 3.56Å; L23-F385 HydrophobicContact CG-CE2 4.49Å
24L94.6Very high91.1Very high112 Ų11260 Ų6059%0.58636%0.356SS*.Hα-helixtrans-62.2-43.3177.4-71.4176.2000111.2V20 T27 A28V20-L24 HydrophobicContact CG1-CD1 3.8Å; V20-L24 HydrophobicContact CG1-CG 4.2Å; V20-L24 WeakPolarHBondContact O-CB 3.34Å; V20-L24 VanDerWaalsContact O-CG 3.32Å; V20-L24 WeakPolarHBondContact O-CG 3.47Å; V20-L24 PolarHBondContact O-N 3.33Å; L24-T27 PolarHBondContact O-N 3.43Å; L24-A28 VanDerWaalsContact O-CB 3.23Å; L24-A28 WeakPolarHBondContact O-CB 3.48Å; L24-A28 PolarHBondContact O-N 3.42Å
25G91.6Very high90.1Very high40 Ų4061.4 Ų61.441%0.41235%0.352SS..Hα-helixtrans-61.8-45177.400000112.8S21 L22 A28 A29S21-G25 PolarHBondContact O-N 2.62Å; L22-G25 PolarHBondContact O-N 2.77Å; G25-A28 PolarHBondContact O-N 3.23Å; G25-A29 VanDerWaalsContact O-CB 3.3Å; G25-A29 WeakPolarHBondContact O-CB 3.2Å; G25-A29 PolarHBondContact O-N 2.98Å
26I90.7Very high88.8Confident9 Ų965.9 Ų65.95%0.04637%0.37CS..Hα-helixtrans-66.5-42.2176.7-66165.6000110.9L22 L23 A29 Y30 Y49 I52 I382 F389L22-I26 HydrophobicContact CD1-CD1 3.88Å; L22-I26 HydrophobicContact CD1-CG1 4.4Å; L22-I26 HydrophobicContact CG-CD1 3.89Å; L22-I26 WeakPolarHBondContact O-CD1 3.29Å; L22-I26 VanDerWaalsContact O-CG1 3.25Å; L22-I26 WeakPolarHBondContact O-CG1 3.25Å; L22-I26 PolarHBondContact O-N 3.47Å; L23-I26 PolarHBondContact O-N 3.21Å; I26-A29 PolarHBondContact O-N 2.92Å; I26-Y30 WeakPolarHBondContact O-CB 3.02Å; I26-Y30 PolarHBondContact O-N 3.48Å; I26-Y49 HydrophobicContact CG2-CD2 4Å; I26-Y49 HydrophobicContact CG2-CE2 3.87Å; I26-I52 HydrophobicContact CG1-CD1 4.24Å; I26-I52 HydrophobicContact CG1-CG2 4.31Å; I26-I382 HydrophobicContact CD1-CD1 3.35Å; I26-F389 HydrophobicContact CG2-CD2 4.49Å; I26-F389 HydrophobicContact CG2-CE2 3.86Å; I26-F389 HydrophobicContact CG2-CZ 4.1Å
27T91.5Very high87.7Confident41 Ų4166.6 Ų66.625%0.25237%0.37SS..Hα-helixtrans-64-44.2178.2-55.90000110.8L23 L24 Y30 I31 F389L23-T27 VanDerWaalsContact O-CB 3.27Å; L23-T27 WeakPolarHBondContact O-CB 3.48Å; L23-T27 PolarHBondContact O-N 3.35Å; L23-T27 PolarHBondContact O-OG1 3.06Å; L24-T27 PolarHBondContact O-N 3.43Å; T27-Y30 WeakPolarHBondContact O-CB 3.44Å; T27-Y30 PolarHBondContact O-N 3.34Å; T27-I31 HydrophobicContact CG2-CD1 3.72Å; T27-I31 HydrophobicContact CG2-CG1 4.38Å; T27-I31 VanDerWaalsContact O-CG1 3.3Å; T27-I31 WeakPolarHBondContact O-CG1 3.34Å; T27-I31 PolarHBondContact O-N 2.92Å; T27-F389 HydrophobicContact CG2-CE1 4.42Å; T27-F389 WeakPolarHBondContact OG1-CZ 3.4Å
28A89.4Confident86.2Confident49 Ų4964.7 Ų64.741%0.40536%0.358SS..Hα-helixtrans-62.9-45.8175.100000111.1L24 G25 Y30 I31 V32L24-A28 VanDerWaalsContact O-CB 3.23Å; L24-A28 WeakPolarHBondContact O-CB 3.48Å; L24-A28 PolarHBondContact O-N 3.42Å; G25-A28 PolarHBondContact O-N 3.23Å; A28-Y30 PolarHBondContact O-N 2.9Å; A28-I31 PolarHBondContact O-N 3.18Å; A28-V32 VanDerWaalsContact O-CB 3.25Å; A28-V32 WeakPolarHBondContact O-CB 3.4Å; A28-V32 VanDerWaalsContact O-CG2 3.24Å; A28-V32 WeakPolarHBondContact O-CG2 3.26Å; A28-V32 PolarHBondContact O-N 3.38Å
29A87.2Confident84.8Confident7 Ų764.1 Ų64.16%0.05836%0.36CS..Hα-helixtrans-58-38175.100000112.4G25 I26 G33 L48 I52G25-A29 VanDerWaalsContact O-CB 3.3Å; G25-A29 WeakPolarHBondContact O-CB 3.2Å; G25-A29 PolarHBondContact O-N 2.98Å; I26-A29 PolarHBondContact O-N 2.92Å; A29-G33 PolarHBondContact O-N 3.27Å; A29-G33 VanDerWaalsContact O-N 3.16Å; A29-L48 HydrophobicContact CB-CB 4.21Å; A29-L48 HydrophobicContact CB-CD2 3.56Å; A29-L48 HydrophobicContact CB-CG 3.74Å; A29-I52 HydrophobicContact CB-CD1 4.11Å
30Y86.3Confident82.7Confident48 Ų4871.3 Ų71.319%0.18840%0.396CS..Hα-helixtrans-68.8-48176.2179.7-101.2000112.5I26 T27 A28 G33 Y49 F389 T393I26-Y30 WeakPolarHBondContact O-CB 3.02Å; I26-Y30 PolarHBondContact O-N 3.48Å; T27-Y30 WeakPolarHBondContact O-CB 3.44Å; T27-Y30 PolarHBondContact O-N 3.34Å; A28-Y30 PolarHBondContact O-N 2.9Å; Y30-G33 PolarHBondContact O-N 3.18Å; Y30-Y49 HydrophobicContact CD2-CD1 4.37Å; Y30-Y49 HydrophobicContact CD2-CD2 4.4Å; Y30-Y49 HydrophobicContact CD2-CG 4.29Å; Y30-F389 AromaticContact CD1-CD1 3.72Å; Y30-F389 HydrophobicContact CD1-CD1 3.72Å; Y30-F389 HydrophobicContact CD1-CE1 4.07Å; Y30-F389 HydrophobicContact CD2-CD1 4.07Å; Y30-F389 HydrophobicContact CE1-CD1 4.14Å; Y30-F389 HydrophobicContact CE2-CB 4.48Å; Y30-F389 HydrophobicContact CE2-CD1 4.47Å; Y30-F389 AromaticContact CG-CD1 3.68Å; Y30-F389 HydrophobicContact CG-CD1 3.68Å; Y30-F389 HydrophobicContact CG-CE1 4.1Å; Y30-F389 PolarHBondContact OH-O 3.43Å; Y30-T393 WeakPolarHBondContact CE2-OG1 3.47Å; Y30-T393 WeakPolarHBondContact OH-CA 3.43Å; Y30-T393 PolarHBondContact OH-N 2.91Å; Y30-T393 VanDerWaalsContact OH-N 3.16Å; Y30-T393 PolarHBondContact OH-OG1 3Å
31I86.1Confident80.9Confident127 Ų12773 Ų7365%0.65140%0.403SS*.Hα-helixtrans-71.4-46.5-176.7-67.5171000111.7T27 A28 G33T27-I31 HydrophobicContact CG2-CD1 3.72Å; T27-I31 HydrophobicContact CG2-CG1 4.38Å; T27-I31 VanDerWaalsContact O-CG1 3.3Å; T27-I31 WeakPolarHBondContact O-CG1 3.34Å; T27-I31 PolarHBondContact O-N 2.92Å; A28-I31 PolarHBondContact O-N 3.18Å; I31-G33 PolarHBondContact O-N 3.13Å
32V84.8Confident79Confident112 Ų11277.1 Ų77.168%0.67941%0.41SS*.Hα-helixtrans-66.2-30.5178.4176.10000110.3A28 Y34A28-V32 VanDerWaalsContact O-CB 3.25Å; A28-V32 WeakPolarHBondContact O-CB 3.4Å; A28-V32 VanDerWaalsContact O-CG2 3.24Å; A28-V32 WeakPolarHBondContact O-CG2 3.26Å; A28-V32 PolarHBondContact O-N 3.38Å; V32-Y34 VanDerWaalsContact C-N 3.27Å; V32-Y34 PolarHBondContact O-N 3.27Å
33G76.5Confident77Confident35 Ų3577.7 Ų77.736%0.36141%0.41SS..  trans65.329172.900000113.6A29 Y30 I31 Q35A29-G33 PolarHBondContact O-N 3.27Å; A29-G33 VanDerWaalsContact O-N 3.16Å; Y30-G33 PolarHBondContact O-N 3.18Å; I31-G33 PolarHBondContact O-N 3.13Å; G33-Q35 WeakPolarHBondContact O-CG 3.48Å; G33-Q35 PolarHBondContact O-N 3.22Å
34Y73.8Confident75.1Confident136 Ų13680.1 Ų80.153%0.53342%0.419SS..  trans-53.5125.7-177.1-172.1-93.6000111.6V32 F36 G47 L48V32-Y34 VanDerWaalsContact C-N 3.27Å; V32-Y34 PolarHBondContact O-N 3.27Å; Y34-F36 HydrophobicContact CD1-CD1 4.09Å; Y34-F36 AromaticContact CD1-CE1 3.91Å; Y34-F36 HydrophobicContact CD1-CE1 3.91Å; Y34-F36 HydrophobicContact CD1-CZ 4.37Å; Y34-F36 AromaticContact CE1-CD1 3.64Å; Y34-F36 HydrophobicContact CE1-CD1 3.64Å; Y34-F36 AromaticContact CE1-CE1 3.6Å; Y34-F36 HydrophobicContact CE1-CE1 3.6Å; Y34-F36 HydrophobicContact CE1-CZ 4.48Å; Y34-G47 CarbonylContact O-C 3.54Å; Y34-G47 WeakPolarHBondContact O-CA 3.5Å; Y34-L48 PolarHBondContact O-N 2.91Å
35Q75.6Confident73.6Confident70 Ų7077.5 Ų77.533%0.32741%0.41SS..EExtended strand (participates in β ladder)trans-109.6125-174.2-51.4-170.7-10.400110G33 S45G33-Q35 WeakPolarHBondContact O-CG 3.48Å; G33-Q35 PolarHBondContact O-N 3.22Å; Q35-S45 VanDerWaalsContact CD-CB 3.42Å; Q35-S45 VanDerWaalsContact OE1-CB 3.3Å
36F68.9Low72.6Confident107 Ų10779.1 Ų79.147%0.46941%0.406SS..EExtended strand (participates in β ladder)trans-85.8-38.8176.4-62.5-66.6000112.5Y34 F46 L48 A51Y34-F36 HydrophobicContact CD1-CD1 4.09Å; Y34-F36 AromaticContact CD1-CE1 3.91Å; Y34-F36 HydrophobicContact CD1-CE1 3.91Å; Y34-F36 HydrophobicContact CD1-CZ 4.37Å; Y34-F36 AromaticContact CE1-CD1 3.64Å; Y34-F36 HydrophobicContact CE1-CD1 3.64Å; Y34-F36 AromaticContact CE1-CE1 3.6Å; Y34-F36 HydrophobicContact CE1-CE1 3.6Å; Y34-F36 HydrophobicContact CE1-CZ 4.48Å; F36-F46 HydrophobicContact CD2-CD1 4.15Å; F36-F46 HydrophobicContact CD2-CE1 4.41Å; F36-F46 PolarHBondContact N-O 3.14Å; F36-L48 VanDerWaalsContact CE2-CA 3.48Å; F36-L48 HydrophobicContact CE2-CB 4.13Å; F36-L48 HydrophobicContact CE2-CD1 4.14Å; F36-L48 HydrophobicContact CZ-CB 4.2Å; F36-L48 HydrophobicContact CZ-CD1 3.72Å; F36-A51 HydrophobicContact CD2-CB 4.49Å; F36-A51 HydrophobicContact CE2-CB 3.78Å
37I71.3Confident71.9Confident99 Ų9979.5 Ų79.551%0.50841%0.412SS..EExtended strand (participates in β ladder)trans-127.6127-178.4-59.9170000106.4F44 S45 F46I37-F44 HydrophobicContact CG2-CD1 4.48Å; I37-S45 CarbonylContact O-C 3.58Å; I37-S45 VanDerWaalsContact O-CA 3.24Å; I37-S45 WeakPolarHBondContact O-CA 3.36Å; I37-F46 HydrophobicContact CB-CB 4.28Å; I37-F46 PolarHBondContact N-O 3.13Å; I37-F46 PolarHBondContact O-N 3.04Å
38Q66.3Low71.2Confident74 Ų7480.6 Ų80.635%0.34642%0.416SS..EExtended strand (participates in β ladder)trans-142.8139.8178.2-162.8-157.4-57.800109.9Y42 F44Q38-Y42 VanDerWaalsContact CD-CZ 3.42Å; Q38-Y42 HydrophobicContact CG-CD1 3.8Å; Q38-Y42 HydrophobicContact CG-CE1 4.08Å; Q38-Y42 HydrophobicContact CG-CG 4.25Å; Q38-Y42 VanDerWaalsContact NE2-CG 3.27Å; Q38-F44 WeakPolarHBondContact CA-O 3.37Å
39T68Low70.7Confident60 Ų6080 Ų8037%0.36840%0.403SS..  trans-84.5154.8168.446.60000111.1N41 Y42 Y43 F44T39-N41 PolarHBondContact O-N 3.09Å; T39-Y42 PolarHBondContact O-N 2.74Å; T39-Y43 PolarHBondContact OG1-N 3.22Å; T39-Y43 VanDerWaalsContact OG1-N 3.14Å; T39-F44 HydrophobicContact CG2-CB 4.26Å; T39-F44 PolarHBondContact N-O 2.86Å; T39-F44 PolarHBondContact OG1-N 3.47Å
40D52.1Low70.3Confident161 Ų16180.8 Ų80.886%0.86141%0.412SS*.THydrogen-bonded Turntrans-55.9-19.9-174.1-60.4-36.6000114.5
41N57.9Low70.2Confident109 Ų10979.5 Ų79.558%0.58341%0.412SS*.THydrogen-bonded Turntrans-110.412.1178.4-73.7-50.8000113.9T39 Y43T39-N41 PolarHBondContact O-N 3.09Å; N41-Y43 HydrophobicContact CB-CD2 3.26Å; N41-Y43 HydrophobicContact CB-CE2 3.15Å; N41-Y43 HydrophobicContact CB-CG 4.09Å; N41-Y43 PolarHBondContact O-N 3.46Å
42Y56.7Low70.2Confident149 Ų14975.4 Ų75.458%0.58439%0.391SS*.SBendtrans54.627.4-173.7-67.1-100.7000113.5Q38 T39 F44Q38-Y42 VanDerWaalsContact CD-CZ 3.42Å; Q38-Y42 HydrophobicContact CG-CD1 3.8Å; Q38-Y42 HydrophobicContact CG-CE1 4.08Å; Q38-Y42 HydrophobicContact CG-CG 4.25Å; Q38-Y42 VanDerWaalsContact NE2-CG 3.27Å; T39-Y42 PolarHBondContact O-N 2.74Å; Y42-F44 PolarHBondContact O-N 3.26Å
43Y52.5Low70.2Confident47 Ų4772.1 Ų72.118%0.18437%0.369CS..SBendtrans-73.9-18.2178.4-70.6-54.1000112.6T39 N41 W404 L408 K508T39-Y43 PolarHBondContact OG1-N 3.22Å; T39-Y43 VanDerWaalsContact OG1-N 3.14Å; N41-Y43 HydrophobicContact CB-CD2 3.26Å; N41-Y43 HydrophobicContact CB-CE2 3.15Å; N41-Y43 HydrophobicContact CB-CG 4.09Å; N41-Y43 PolarHBondContact O-N 3.46Å; Y43-W404 AromaticContact CD1-CD1 3.52Å; Y43-W404 HydrophobicContact CD1-CG 4.17Å; Y43-W404 AromaticContact CD1-NE1 3.51Å; Y43-W404 PolarHBondContact O-NE1 2.8Å; Y43-L408 WeakPolarHBondContact O-CD2 3.41Å; Y43-K508 WeakPolarHBondContact OH-CG 3.32Å
44F56.2Low70.6Confident91 Ų9172.3 Ų72.340%0.39937%0.367SS..  trans-144.9132.1175.4-175-95.7000108.9I37 Q38 T39 Y42 F46 L408I37-F44 HydrophobicContact CG2-CD1 4.48Å; Q38-F44 WeakPolarHBondContact CA-O 3.37Å; T39-F44 HydrophobicContact CG2-CB 4.26Å; T39-F44 PolarHBondContact N-O 2.86Å; T39-F44 PolarHBondContact OG1-N 3.47Å; Y42-F44 PolarHBondContact O-N 3.26Å; F44-F46 HydrophobicContact CE1-CB 4.33Å; F44-L408 HydrophobicContact CD2-CD1 4.33Å
45S62.7Low71.3Confident56 Ų5668.6 Ų68.639%0.39236%0.361SS..EExtended strand (participates in β ladder)trans-140.5121.4174.663.10000111.2Q35 I37Q35-S45 VanDerWaalsContact CD-CB 3.42Å; Q35-S45 VanDerWaalsContact OE1-CB 3.3Å; I37-S45 CarbonylContact O-C 3.58Å; I37-S45 VanDerWaalsContact O-CA 3.24Å; I37-S45 WeakPolarHBondContact O-CA 3.36Å
46F70.3Confident72.1Confident75 Ų7566 Ų6633%0.32935%0.349SS..EExtended strand (participates in β ladder)trans-103.6112170.2-174.3-101.9000109.4F36 I37 F44 A51F36-F46 HydrophobicContact CD2-CD1 4.15Å; F36-F46 HydrophobicContact CD2-CE1 4.41Å; F36-F46 PolarHBondContact N-O 3.14Å; I37-F46 HydrophobicContact CB-CB 4.28Å; I37-F46 PolarHBondContact N-O 3.13Å; I37-F46 PolarHBondContact O-N 3.04Å; F44-F46 HydrophobicContact CE1-CB 4.33Å; F46-A51 HydrophobicContact CE1-CB 3.85Å; F46-A51 HydrophobicContact CZ-CB 4.07Å
47G75.5Confident73Confident17 Ų1762.9 Ų62.918%0.17534%0.337CS..EExtended strand (participates in β ladder)trans-108.5174.5-174.900000115.1Y34 Y49 G50 A51Y34-G47 CarbonylContact O-C 3.54Å; Y34-G47 WeakPolarHBondContact O-CA 3.5Å; G47-Y49 VanDerWaalsContact C-N 3.27Å; G47-Y49 PolarHBondContact O-N 2.9Å; G47-G50 WeakPolarHBondContact O-CA 3.47Å; G47-G50 PolarHBondContact O-N 3.37Å; G47-A51 PolarHBondContact O-N 3.27Å; G47-A51 VanDerWaalsContact O-N 3.09Å
48L77.9Confident73.9Confident63 Ų6363.8 Ų63.833%0.3334%0.341SS..Hα-helixtrans-53-41.2-179.2-178.260.5000113.2A29 Y34 F36 G50 A51 I52A29-L48 HydrophobicContact CB-CB 4.21Å; A29-L48 HydrophobicContact CB-CD2 3.56Å; A29-L48 HydrophobicContact CB-CG 3.74Å; Y34-L48 PolarHBondContact O-N 2.91Å; F36-L48 VanDerWaalsContact CE2-CA 3.48Å; F36-L48 HydrophobicContact CE2-CB 4.13Å; F36-L48 HydrophobicContact CE2-CD1 4.14Å; F36-L48 HydrophobicContact CZ-CB 4.2Å; F36-L48 HydrophobicContact CZ-CD1 3.72Å; L48-G50 PolarHBondContact O-N 2.79Å; L48-A51 PolarHBondContact O-N 2.6Å; L48-I52 HydrophobicContact CG-CD1 4.29Å; L48-I52 WeakPolarHBondContact O-CG1 3.36Å; L48-I52 PolarHBondContact O-N 3.23Å
49Y78.5Confident75.2Confident37 Ų3763.2 Ų63.215%0.14534%0.34CS..Hα-helixtrans-60.7-42.4175-179.2-106000112.7I26 Y30 G47 A51 I52 L53 F386 F389I26-Y49 HydrophobicContact CG2-CD2 4Å; I26-Y49 HydrophobicContact CG2-CE2 3.87Å; Y30-Y49 HydrophobicContact CD2-CD1 4.37Å; Y30-Y49 HydrophobicContact CD2-CD2 4.4Å; Y30-Y49 HydrophobicContact CD2-CG 4.29Å; G47-Y49 VanDerWaalsContact C-N 3.27Å; G47-Y49 PolarHBondContact O-N 2.9Å; Y49-A51 VanDerWaalsContact C-N 3.34Å; Y49-A51 PolarHBondContact O-N 3.39Å; Y49-I52 PolarHBondContact O-N 3.26Å; Y49-L53 HydrophobicContact CD1-CD1 4.06Å; Y49-L53 HydrophobicContact CE1-CD1 3.51Å; Y49-L53 HydrophobicContact CE1-CG 4.26Å; Y49-L53 WeakPolarHBondContact O-CG 3.2Å; Y49-L53 PolarHBondContact O-N 2.71Å; Y49-L53 VanDerWaalsContact O-N 3.12Å; Y49-F386 WeakPolarHBondContact OH-CD2 3.44Å; Y49-F389 HydrophobicContact CE2-CB 4.34Å; Y49-F389 HydrophobicContact CE2-CD2 4.23Å; Y49-F389 HydrophobicContact CE2-CG 4.25Å; Y49-F389 WeakPolarHBondContact OH-CB 3.39Å
50G79.7Confident76.5Confident23 Ų2361 Ų6124%0.23733%0.326CS..Hα-helixtrans-63.4-39.4175.800000112.5G47 L48 L53 A54G47-G50 WeakPolarHBondContact O-CA 3.47Å; G47-G50 PolarHBondContact O-N 3.37Å; L48-G50 PolarHBondContact O-N 2.79Å; G50-L53 PolarHBondContact O-N 2.93Å; G50-A54 PolarHBondContact O-N 2.65Å
51A83.4Confident78.4Confident22 Ų2254 Ų5418%0.18229%0.29CS..Hα-helixtrans-64.8-39.6175.400000112.6F36 F46 G47 L48 Y49 A54 S55F36-A51 HydrophobicContact CD2-CB 4.49Å; F36-A51 HydrophobicContact CE2-CB 3.78Å; F46-A51 HydrophobicContact CE1-CB 3.85Å; F46-A51 HydrophobicContact CZ-CB 4.07Å; G47-A51 PolarHBondContact O-N 3.27Å; G47-A51 VanDerWaalsContact O-N 3.09Å; L48-A51 PolarHBondContact O-N 2.6Å; Y49-A51 VanDerWaalsContact C-N 3.34Å; Y49-A51 PolarHBondContact O-N 3.39Å; A51-A54 PolarHBondContact O-N 2.98Å; A51-S55 WeakPolarHBondContact O-CB 3.39Å; A51-S55 PolarHBondContact O-N 2.75Å; A51-S55 PolarHBondContact O-OG 2.98Å
52I86Confident80.1Confident41 Ų4153.2 Ų53.221%0.2129%0.285CS..Hα-helixtrans-61.3-45.4175.1-68.5166.1000110.4I26 A29 L48 Y49 S55 H56I26-I52 HydrophobicContact CG1-CD1 4.24Å; I26-I52 HydrophobicContact CG1-CG2 4.31Å; A29-I52 HydrophobicContact CB-CD1 4.11Å; L48-I52 HydrophobicContact CG-CD1 4.29Å; L48-I52 WeakPolarHBondContact O-CG1 3.36Å; L48-I52 PolarHBondContact O-N 3.23Å; Y49-I52 PolarHBondContact O-N 3.26Å; I52-S55 PolarHBondContact O-N 3.32Å; I52-H56 PolarHBondContact O-N 3.45Å
53L83.9Confident82Confident42 Ų4248.3 Ų48.322%0.2227%0.267CS..Hα-helixtrans-65.5-41.2177.9-65.8178.3000112.5Y49 G50 S55 H56 L57 F386Y49-L53 HydrophobicContact CD1-CD1 4.06Å; Y49-L53 HydrophobicContact CE1-CD1 3.51Å; Y49-L53 HydrophobicContact CE1-CG 4.26Å; Y49-L53 WeakPolarHBondContact O-CG 3.2Å; Y49-L53 PolarHBondContact O-N 2.71Å; Y49-L53 VanDerWaalsContact O-N 3.12Å; G50-L53 PolarHBondContact O-N 2.93Å; L53-S55 VanDerWaalsContact C-N 3.34Å; L53-H56 WeakPolarHBondContact O-CB 3.29Å; L53-H56 PolarHBondContact O-N 2.67Å; L53-L57 WeakPolarHBondContact O-CG 3.4Å; L53-L57 PolarHBondContact O-N 2.63Å; L53-L57 VanDerWaalsContact O-N 3.14Å; L53-F386 HydrophobicContact CD1-CD2 4.38Å; L53-F386 HydrophobicContact CD1-CE2 3.76Å; L53-F386 HydrophobicContact CD2-CD2 3.77Å; L53-F386 HydrophobicContact CD2-CE2 3.87Å; L53-F386 HydrophobicContact CG-CE2 4.5Å
54A84.9Confident84.1Confident40 Ų4046.1 Ų46.133%0.33126%0.258SS..Hα-helixtrans-62-43.9175.100000111.2G50 A51 H56 L57 I58G50-A54 PolarHBondContact O-N 2.65Å; A51-A54 PolarHBondContact O-N 2.98Å; A54-H56 PolarHBondContact O-N 2.95Å; A54-L57 PolarHBondContact O-N 3.26Å; A54-I58 WeakPolarHBondContact O-CG1 3.24Å; A54-I58 PolarHBondContact O-N 2.96Å
55S89.4Confident85.9Confident58 Ų5846.4 Ų46.441%0.40626%0.259SS..Hα-helixtrans-61.4-44.2176.9-56.90000111.6A51 I52 L53 L57 I58 I59A51-S55 WeakPolarHBondContact O-CB 3.39Å; A51-S55 PolarHBondContact O-N 2.75Å; A51-S55 PolarHBondContact O-OG 2.98Å; I52-S55 PolarHBondContact O-N 3.32Å; L53-S55 VanDerWaalsContact C-N 3.34Å; S55-L57 VanDerWaalsContact C-N 3.3Å; S55-L57 PolarHBondContact O-N 3.04Å; S55-I58 PolarHBondContact O-N 3.22Å; S55-I59 WeakPolarHBondContact O-CB 3.44Å; S55-I59 VanDerWaalsContact O-CG1 3.23Å; S55-I59 WeakPolarHBondContact O-CG1 3.44Å; S55-I59 PolarHBondContact O-N 3.28Å
56H91.6Very high87.5Confident15 Ų1546.5 Ų46.57%0.06926%0.255CS..Hα-helixtrans-53.9-47.4174.2175.474.4000111.7I52 L53 A54 I59 Q60 Y378I52-H56 PolarHBondContact O-N 3.45Å; L53-H56 WeakPolarHBondContact O-CB 3.29Å; L53-H56 PolarHBondContact O-N 2.67Å; A54-H56 PolarHBondContact O-N 2.95Å; H56-I59 PolarHBondContact O-N 3.08Å; H56-Q60 VanDerWaalsContact O-CB 3.23Å; H56-Q60 WeakPolarHBondContact O-CB 3.21Å; H56-Q60 PolarHBondContact O-N 2.85Å; H56-Y378 WeakPolarHBondContact CB-OH 3.36Å; H56-Y378 AromaticContact ND1-CE1 3.32Å; H56-Y378 VanDerWaalsContact ND1-CE1 3.32Å; H56-Y378 WeakPolarHBondContact ND1-CE1 3.38Å; H56-Y378 AromaticContact ND1-CZ 3.66Å; H56-Y378 PolarHBondContact ND1-OH 2.64Å
57L88.7Confident88.7Confident42 Ų4243.4 Ų43.422%0.2224%0.241CC..Hα-helixtrans-65.1-42.3-179.5-66171.5000112.5L53 A54 S55 S61 K420L53-L57 WeakPolarHBondContact O-CG 3.4Å; L53-L57 PolarHBondContact O-N 2.63Å; L53-L57 VanDerWaalsContact O-N 3.14Å; A54-L57 PolarHBondContact O-N 3.26Å; S55-L57 VanDerWaalsContact C-N 3.3Å; S55-L57 PolarHBondContact O-N 3.04Å; L57-S61 WeakPolarHBondContact O-CB 3.49Å; L57-S61 PolarHBondContact O-N 3.45Å; L57-S61 PolarHBondContact O-OG 2.99Å; L57-K420 HydrophobicContact CD1-CD 4.39Å; L57-K420 HydrophobicContact CD1-CG 4.25Å; L57-K420 HydrophobicContact CD2-CD 4.32Å
58I90.3Very high89.6Confident117 Ų11744.5 Ų44.560%0.624%0.242SC*.Hα-helixtrans-63.5-48.8178.1-67.6165.6000110A54 S55 S61 L62A54-I58 WeakPolarHBondContact O-CG1 3.24Å; A54-I58 PolarHBondContact O-N 2.96Å; S55-I58 PolarHBondContact O-N 3.22Å; I58-S61 PolarHBondContact O-N 2.79Å; I58-L62 WeakPolarHBondContact O-CB 3.32Å; I58-L62 PolarHBondContact O-N 3.01Å
59I94.2Very high90.3Very high63 Ų6347.6 Ų47.632%0.32325%0.249SC..Hα-helixtrans-64.3-48.3-178.2-65.3167.2000110.7S55 H56 S61 L62 F63 W375S55-I59 WeakPolarHBondContact O-CB 3.44Å; S55-I59 VanDerWaalsContact O-CG1 3.23Å; S55-I59 WeakPolarHBondContact O-CG1 3.44Å; S55-I59 PolarHBondContact O-N 3.28Å; H56-I59 PolarHBondContact O-N 3.08Å; I59-S61 VanDerWaalsContact C-N 3.27Å; I59-S61 PolarHBondContact O-N 2.98Å; I59-L62 PolarHBondContact O-N 2.94Å; I59-F63 HydrophobicContact CG2-CD2 3.6Å; I59-F63 HydrophobicContact CG2-CE2 3.58Å; I59-F63 VanDerWaalsContact O-CD2 3.28Å; I59-F63 WeakPolarHBondContact O-CD2 3.34Å; I59-F63 PolarHBondContact O-N 3.27Å; I59-W375 HydrophobicContact CB-CH2 4.36Å; I59-W375 HydrophobicContact CB-CZ3 4.36Å; I59-W375 HydrophobicContact CG2-CE3 4.45Å; I59-W375 HydrophobicContact CG2-CH2 3.75Å; I59-W375 HydrophobicContact CG2-CZ3 3.43Å; I59-W375 VanDerWaalsContact CG2-CZ3 3.43Å
60Q94.6Very high91Very high14 Ų1450.4 Ų50.47%0.06526%0.262CS..Hα-helixtrans-59-43178.7-173.1179.156.500111H56 A64 I266 C270 W375H56-Q60 VanDerWaalsContact O-CB 3.23Å; H56-Q60 WeakPolarHBondContact O-CB 3.21Å; H56-Q60 PolarHBondContact O-N 2.85Å; Q60-A64 VanDerWaalsContact O-CB 3.31Å; Q60-A64 WeakPolarHBondContact O-CB 3.45Å; Q60-A64 PolarHBondContact O-N 3.29Å; Q60-I266 HydrophobicContact CG-CG2 4.22Å; Q60-C270 HydrophobicContact CG-CB 3.77Å; Q60-C270 WeakPolarHBondContact O-CB 3.32Å; Q60-W375 HydrophobicContact CB-CH2 4.17Å; Q60-W375 HydrophobicContact CB-CZ2 4.09Å; Q60-W375 HydrophobicContact CG-CZ2 4.24Å
61S91.9Very high91.6Very high14 Ų1450.1 Ų50.110%0.09826%0.255CS..Hα-helixtrans-66.7-40.6178.6-65.70000113.3L57 I58 I59 A64 F65 F423L57-S61 WeakPolarHBondContact O-CB 3.49Å; L57-S61 PolarHBondContact O-N 3.45Å; L57-S61 PolarHBondContact O-OG 2.99Å; I58-S61 PolarHBondContact O-N 2.79Å; I59-S61 VanDerWaalsContact C-N 3.27Å; I59-S61 PolarHBondContact O-N 2.98Å; S61-A64 PolarHBondContact O-N 3.38Å; S61-F65 WeakPolarHBondContact O-CB 3.41Å; S61-F65 PolarHBondContact O-N 3.5Å; S61-F423 VanDerWaalsContact CB-CZ 3.43Å; S61-F423 WeakPolarHBondContact OG-CE1 3.46Å
62L93.9Very high91.8Very high92 Ų9256.3 Ų56.348%0.48228%0.278SS..Hα-helixtrans-61.4-50.6176.9174.562.8000110.9I58 I59 A64 F65 L66I58-L62 WeakPolarHBondContact O-CB 3.32Å; I58-L62 PolarHBondContact O-N 3.01Å; I59-L62 PolarHBondContact O-N 2.94Å; L62-A64 VanDerWaalsContact C-N 3.35Å; L62-A64 PolarHBondContact O-N 3.33Å; L62-F65 WeakPolarHBondContact O-CB 3.43Å; L62-F65 PolarHBondContact O-N 2.99Å; L62-L66 HydrophobicContact CD1-CD1 4.43Å; L62-L66 HydrophobicContact CD1-CG 4.42Å; L62-L66 HydrophobicContact CG-CD1 4.3Å; L62-L66 WeakPolarHBondContact O-CG 3.34Å; L62-L66 PolarHBondContact O-N 3.14Å
63F97Very high91.7Very high46 Ų4662.2 Ų62.220%0.20230%0.298CS..Hα-helixtrans-69.8-32.4-179.1-74.6-63.6000112.7I59 L66 E67 C270 Y273 F274I59-F63 HydrophobicContact CG2-CD2 3.6Å; I59-F63 HydrophobicContact CG2-CE2 3.58Å; I59-F63 VanDerWaalsContact O-CD2 3.28Å; I59-F63 WeakPolarHBondContact O-CD2 3.34Å; I59-F63 PolarHBondContact O-N 3.27Å; F63-L66 HydrophobicContact CD1-CD1 3.91Å; F63-L66 HydrophobicContact CE1-CD1 4.15Å; F63-L66 PolarHBondContact O-N 3.49Å; F63-E67 WeakPolarHBondContact O-CB 3.34Å; F63-E67 PolarHBondContact O-N 3.25Å; F63-C270 HydrophobicContact CB-CB 4.48Å; F63-Y273 HydrophobicContact CB-CD1 4.31Å; F63-Y273 HydrophobicContact CB-CG 4.31Å; F63-Y273 AromaticContact CD1-CD1 3.38Å; F63-Y273 HydrophobicContact CD1-CD1 3.38Å; F63-Y273 HydrophobicContact CD1-CD2 4.44Å; F63-Y273 AromaticContact CD1-CE1 3.28Å; F63-Y273 HydrophobicContact CD1-CE1 3.28Å; F63-Y273 HydrophobicContact CD1-CE2 4.35Å; F63-Y273 AromaticContact CD1-CG 3.98Å; F63-Y273 HydrophobicContact CD1-CG 3.98Å; F63-Y273 AromaticContact CD1-CZ 3.8Å; F63-Y273 AromaticContact CE1-CD1 3.98Å; F63-Y273 HydrophobicContact CE1-CD1 3.98Å; F63-Y273 AromaticContact CE1-CE1 3.46Å; F63-Y273 HydrophobicContact CE1-CE1 3.46Å; F63-Y273 VanDerWaalsContact CE1-CE1 3.46Å; F63-Y273 AromaticContact CE1-CZ 3.99Å; F63-Y273 HydrophobicContact CG-CD1 4.11Å; F63-Y273 HydrophobicContact CG-CE1 4.39Å; F63-F274 HydrophobicContact CB-CE2 4.07Å; F63-F274 HydrophobicContact CB-CZ 4.5Å; F63-F274 HydrophobicContact CD1-CE2 4.26Å; F63-F274 AromaticContact CD1-CZ 3.86Å; F63-F274 HydrophobicContact CD1-CZ 3.86Å; F63-F274 AromaticContact CD2-CE2 3.74Å; F63-F274 HydrophobicContact CD2-CE2 3.74Å; F63-F274 AromaticContact CD2-CZ 3.59Å; F63-F274 HydrophobicContact CD2-CZ 3.59Å; F63-F274 HydrophobicContact CE1-CE1 4.43Å; F63-F274 AromaticContact CE1-CZ 3.9Å; F63-F274 HydrophobicContact CE1-CZ 3.9Å; F63-F274 HydrophobicContact CE2-CE2 4.23Å; F63-F274 AromaticContact CE2-CZ 3.62Å; F63-F274 HydrophobicContact CE2-CZ 3.62Å; F63-F274 AromaticContact CG-CE2 3.76Å; F63-F274 HydrophobicContact CG-CE2 3.76Å; F63-F274 AromaticContact CG-CZ 3.72Å; F63-F274 HydrophobicContact CG-CZ 3.72Å; F63-F274 HydrophobicContact CZ-CE1 4.47Å; F63-F274 AromaticContact CZ-CZ 3.78Å; F63-F274 HydrophobicContact CZ-CZ 3.78Å
64A96.1Very high91.3Very high0 Ų061.3 Ų61.30%029%0.294CS..Hα-helixtrans-59.6-47.7168.300000111.7Q60 S61 L62 L66 E67 H68 I266 A269 C270Q60-A64 VanDerWaalsContact O-CB 3.31Å; Q60-A64 WeakPolarHBondContact O-CB 3.45Å; Q60-A64 PolarHBondContact O-N 3.29Å; S61-A64 PolarHBondContact O-N 3.38Å; L62-A64 VanDerWaalsContact C-N 3.35Å; L62-A64 PolarHBondContact O-N 3.33Å; A64-L66 PolarHBondContact O-N 2.99Å; A64-E67 PolarHBondContact O-N 3.2Å; A64-H68 PolarHBondContact O-CD2 2.84Å; A64-H68 PolarHBondContact O-N 2.73Å; A64-I266 HydrophobicContact CB-CD1 4.46Å; A64-I266 HydrophobicContact CB-CG2 4.38Å; A64-I266 WeakPolarHBondContact CB-O 3.44Å; A64-A269 HydrophobicContact CB-CB 3.93Å; A64-C270 HydrophobicContact CB-CB 4.27Å
65F93.9Very high90.2Very high98 Ų9864.1 Ų64.143%0.4330%0.303SS..Hα-helixtrans-60.7-42.9177.3173.1-97.5000112.4S61 L62 E67 H68 R69 L427S61-F65 WeakPolarHBondContact O-CB 3.41Å; S61-F65 PolarHBondContact O-N 3.5Å; L62-F65 WeakPolarHBondContact O-CB 3.43Å; L62-F65 PolarHBondContact O-N 2.99Å; F65-E67 VanDerWaalsContact C-N 3.34Å; F65-H68 PolarHBondContact O-N 2.86Å; F65-R69 PolarHBondContact O-N 3.22Å; F65-L427 HydrophobicContact CD2-CD2 3.88Å
66L95.8Very high89Confident57 Ų5769.6 Ų69.630%0.29832%0.322SS..Hα-helixtrans-62.5-41.1176.4-69.3175.6000111.9L62 F63 A64 R69 K70 Y273L62-L66 HydrophobicContact CD1-CD1 4.43Å; L62-L66 HydrophobicContact CD1-CG 4.42Å; L62-L66 HydrophobicContact CG-CD1 4.3Å; L62-L66 WeakPolarHBondContact O-CG 3.34Å; L62-L66 PolarHBondContact O-N 3.14Å; F63-L66 HydrophobicContact CD1-CD1 3.91Å; F63-L66 HydrophobicContact CE1-CD1 4.15Å; F63-L66 PolarHBondContact O-N 3.49Å; A64-L66 PolarHBondContact O-N 2.99Å; L66-R69 WeakPolarHBondContact O-CB 3.43Å; L66-R69 PolarHBondContact O-N 3.07Å; L66-K70 PolarHBondContact O-N 3.43Å; L66-Y273 HydrophobicContact CB-CD2 4.1Å; L66-Y273 HydrophobicContact CB-CE2 3.79Å; L66-Y273 HydrophobicContact CD1-CE2 4.38Å
67E96.1Very high87.7Confident10 Ų1072.4 Ų72.45%0.04734%0.341CS..Hα-helixtrans-64.7-45.6175.9-173.572.9161.500111.6F63 A64 F65 R69 K70 M71 A269 S272 Y273F63-E67 WeakPolarHBondContact O-CB 3.34Å; F63-E67 PolarHBondContact O-N 3.25Å; A64-E67 PolarHBondContact O-N 3.2Å; F65-E67 VanDerWaalsContact C-N 3.34Å; E67-R69 PolarHBondContact O-N 2.76Å; E67-K70 CarbonylContact O-C 3.49Å; E67-K70 WeakPolarHBondContact O-CA 3.44Å; E67-K70 WeakPolarHBondContact O-CB 3.47Å; E67-K70 PolarHBondContact O-N 2.89Å; E67-M71 HydrophobicContact CB-CE 4.49Å; E67-M71 HydrophobicContact CG-CE 3.37Å; E67-M71 HydrophobicContact CG-CG 4.49Å; E67-M71 WeakPolarHBondContact O-CG 3.48Å; E67-M71 PolarHBondContact O-N 3.11Å; E67-A269 WeakPolarHBondContact CB-O 3.34Å; E67-A269 WeakPolarHBondContact CG-O 3.32Å; E67-S272 WeakPolarHBondContact OE1-CB 3.47Å; E67-S272 PolarHBondContact OE1-OG 3.27Å; E67-Y273 HydrophobicContact CB-CD2 4.23Å; E67-Y273 WeakPolarHBondContact OE2-CA 3.39Å
68H94.1Very high86.6Confident41 Ų4176.2 Ų76.219%0.1937%0.368CS..Hα-helixtrans-57.8-38.6174.5-82.5-72.3000112.2A64 F65 K70 M71 K72 N265 A332A64-H68 PolarHBondContact O-CD2 2.84Å; A64-H68 PolarHBondContact O-N 2.73Å; F65-H68 PolarHBondContact O-N 2.86Å; H68-K70 VanDerWaalsContact C-N 3.35Å; H68-M71 PolarHBondContact O-N 3.23Å; H68-K72 WeakPolarHBondContact O-CG 3.45Å; H68-K72 PolarHBondContact O-N 3.35Å; H68-K72 VanDerWaalsContact O-N 3.07Å; H68-N265 PolarHBondContact CD2-O 2.88Å; H68-N265 PolarHBondContact CE1-OD1 3Å; H68-N265 PolarHBondContact NE2-O 3.23Å; H68-A332 VanDerWaalsContact CE1-CB 3.49Å; H68-A332 WeakPolarHBondContact CE1-CB 3.37Å
69R92.8Very high85.8Confident127 Ų12772.7 Ų72.748%0.47935%0.35SS..Hα-helixtrans-65.4-38.1174.3-172.2176.4-179.8157.21.7111.7F65 L66 E67 K72 R73F65-R69 PolarHBondContact O-N 3.22Å; L66-R69 WeakPolarHBondContact O-CB 3.43Å; L66-R69 PolarHBondContact O-N 3.07Å; E67-R69 PolarHBondContact O-N 2.76Å; R69-K72 PolarHBondContact O-N 3.42Å; R69-R73 PolarHBondContact O-N 3.08Å
70K92.8Very high85Confident97 Ų9777.7 Ų77.742%0.42237%0.369SS..Hα-helixtrans-63.9-48.1174.1-172.3-175.9176.1-172.80111.2L66 E67 H68 K72 R73 S74 E231L66-K70 PolarHBondContact O-N 3.43Å; E67-K70 CarbonylContact O-C 3.49Å; E67-K70 WeakPolarHBondContact O-CA 3.44Å; E67-K70 WeakPolarHBondContact O-CB 3.47Å; E67-K70 PolarHBondContact O-N 2.89Å; H68-K70 VanDerWaalsContact C-N 3.35Å; K70-K72 VanDerWaalsContact C-N 3.26Å; K70-K72 PolarHBondContact O-N 3.42Å; K70-R73 PolarHBondContact O-N 3.46Å; K70-S74 PolarHBondContact O-N 3.07Å; K70-S74 VanDerWaalsContact O-N 3.08Å; K70-E231 IonicContact NZ-OE1 3.14Å
71M92.5Very high84.5Confident17 Ų1780.1 Ų80.18%0.08438%0.383CS..Hα-helixtrans-57.5-38.2177.7-65172.9-171.400112.3E67 H68 Y330 A332E67-M71 HydrophobicContact CB-CE 4.49Å; E67-M71 HydrophobicContact CG-CE 3.37Å; E67-M71 HydrophobicContact CG-CG 4.49Å; E67-M71 WeakPolarHBondContact O-CG 3.48Å; E67-M71 PolarHBondContact O-N 3.11Å; H68-M71 PolarHBondContact O-N 3.23Å; M71-Y330 HydrophobicContact CE-CD1 3.59Å; M71-Y330 HydrophobicContact CE-CE1 3.88Å; M71-Y330 WeakPolarHBondContact CE-O 3.23Å; M71-A332 HydrophobicContact SD-CB 3.9Å; M71-A332 PolarHBondContact SD-N 3.41Å
72K87.9Confident84.4Confident151 Ų15184.7 Ų84.766%0.65741%0.406SS*.Hα-helixtrans-67-37.2174.5-73.3179-177.7-175.90112.5H68 R69 K70 L75H68-K72 WeakPolarHBondContact O-CG 3.45Å; H68-K72 PolarHBondContact O-N 3.35Å; H68-K72 VanDerWaalsContact O-N 3.07Å; R69-K72 PolarHBondContact O-N 3.42Å; K70-K72 VanDerWaalsContact C-N 3.26Å; K70-K72 PolarHBondContact O-N 3.42Å; K72-L75 VanDerWaalsContact O-CB 3.31Å; K72-L75 WeakPolarHBondContact O-CB 3.35Å; K72-L75 VanDerWaalsContact O-CD1 3.25Å; K72-L75 WeakPolarHBondContact O-CD1 3.37Å; K72-L75 WeakPolarHBondContact O-CG 3.43Å; K72-L75 PolarHBondContact O-N 2.7Å
73R84.2Confident84.4Confident166 Ų16683.3 Ų83.363%0.62640%0.396SS*.Hα-helixtrans-70.5-32.3177.6-74176.5171175.9-6113R69 K70 L75R69-R73 PolarHBondContact O-N 3.08Å; K70-R73 PolarHBondContact O-N 3.46Å; R73-L75 PolarHBondContact O-N 3.46Å
74S73.9Confident84.4Confident22 Ų2284.2 Ų84.215%0.15441%0.406CS..G310 helixtrans-68.3-0.6177.4-165.10000113.5K70 E76 E231K70-S74 PolarHBondContact O-N 3.07Å; K70-S74 VanDerWaalsContact O-N 3.08Å; S74-E76 PolarHBondContact O-N 2.67Å; S74-E231 PolarHBondContact OG-OE2 2.9Å
75L62.7Low84.5Confident99 Ų9984.4 Ų84.452%0.51841%0.407SS..G310 helixtrans-56.4-28.3171.9-90.2159.1000113.7K72 R73 R333K72-L75 VanDerWaalsContact O-CB 3.31Å; K72-L75 WeakPolarHBondContact O-CB 3.35Å; K72-L75 VanDerWaalsContact O-CD1 3.25Å; K72-L75 WeakPolarHBondContact O-CD1 3.37Å; K72-L75 WeakPolarHBondContact O-CG 3.43Å; K72-L75 PolarHBondContact O-N 2.7Å; R73-L75 PolarHBondContact O-N 3.46Å; L75-R333 VanDerWaalsContact CD2-NH1 3.27Å; L75-R333 VanDerWaalsContact CD2-NH2 3.33Å
76E63.2Low84.7Confident173 Ų17379.8 Ų79.881%0.80839%0.386SS*.G310 helixtrans-92.5-7.4-167.5-64.5174.3-174.700113.7S74 P78S74-E76 PolarHBondContact O-N 2.67Å; E76-P78 WeakPolarHBondContact O-CD 3.3Å
77T64.2Low84.8Confident74 Ų7477 Ų7745%0.45437%0.372SS..  trans-82.5113-176.9-44.60000110.5I79T77-I79 HydrophobicContact CG2-CG1 4.41Å; T77-I79 PolarHBondContact O-N 2.67Å
78P67.4Low84.9Confident123 Ų12376.9 Ų76.980%0.79937%0.372SS*.  trans-69.6125175.528.2-32.2000109.4E76E76-P78 WeakPolarHBondContact O-CD 3.3Å
79I71.7Confident85.1Confident42 Ų4275.1 Ų75.122%0.21536%0.364CS..  trans-118.3132.2-178.3-70.2170.9000109.7T77 L81 K227 E230T77-I79 HydrophobicContact CG2-CG1 4.41Å; T77-I79 PolarHBondContact O-N 2.67Å; I79-L81 PolarHBondContact O-N 3.39Å; I79-K227 HydrophobicContact CB-CG 4.3Å; I79-K227 HydrophobicContact CD1-CB 3.52Å; I79-K227 HydrophobicContact CD1-CD 4.17Å; I79-K227 HydrophobicContact CD1-CG 3.49Å; I79-K227 VanDerWaalsContact CD1-CG 3.49Å; I79-K227 HydrophobicContact CG1-CG 4.41Å; I79-K227 HydrophobicContact CG2-CG 4.47Å; I79-E230 HydrophobicContact CG2-CB 4.5Å
80K78.4Confident85.3Confident168 Ų16869.7 Ų69.773%0.7335%0.346SS*.  trans-75.1114.1175.1-64.6-178.9-179.11790108N82K80-N82 PolarHBondContact O-N 2.82Å; K80-N82 PolarHBondContact O-OD1 3.15Å
81L83.6Confident85.4Confident66 Ų6665.2 Ų65.235%0.34633%0.327SS..  trans-79.754.6174.7-56.1177.7000110.7I79 Y111 P112 V223I79-L81 PolarHBondContact O-N 3.39Å; L81-Y111 HydrophobicContact CB-CE2 4.3Å; L81-Y111 HydrophobicContact CD2-CD2 4.2Å; L81-Y111 HydrophobicContact CD2-CE2 3.73Å; L81-Y111 HydrophobicContact CG-CE2 4.49Å; L81-P112 HydrophobicContact CB-CG 4.03Å; L81-P112 HydrophobicContact CD1-CG 4.5Å; L81-V223 HydrophobicContact CD1-CG2 4.24Å; L81-V223 HydrophobicContact CD2-CG1 4.15Å
82N89.2Confident85.5Confident110 Ų11068.4 Ų68.459%0.58834%0.339SS*.  trans-98.7-2.3-17866.4-12.6000113.2K80K80-N82 PolarHBondContact O-N 2.82Å; K80-N82 PolarHBondContact O-OD1 3.15Å
83K94.4Very high85.6Confident62 Ų6262.2 Ų62.227%0.2731%0.313SS..SBendtrans-81.9143.7-179.9-61.9-66.8-172178.30110.9Y111 D206 Y207 E230K83-Y111 WeakPolarHBondContact O-CE1 3.48Å; K83-Y111 PolarHBondContact O-OH 2.63Å; K83-D206 WeakPolarHBondContact CA-OD2 3.4Å; K83-D206 HydrophobicContact CB-CB 4.23Å; K83-D206 HydrophobicContact CD-CB 4.15Å; K83-D206 IonicContact NZ-OD1 2.94Å; K83-Y207 HydrophobicContact CB-CD2 3.9Å; K83-Y207 HydrophobicContact CB-CE2 3.72Å; K83-Y207 HydrophobicContact CD-CE2 4.34Å; K83-Y207 HydrophobicContact CG-CD2 4.5Å; K83-Y207 HydrophobicContact CG-CE2 3.81Å; K83-E230 VanDerWaalsContact CE-OE1 3.31Å; K83-E230 WeakPolarHBondContact CE-OE1 3.34Å; K83-E230 WeakPolarHBondContact CE-OE2 3.35Å
84T97.1Very high85.9Confident66 Ų6654.6 Ų54.641%0.40528%0.284SS..  trans-85.1130.4176.651.90000110V205 D206 Y207T84-V205 VanDerWaalsContact OG1-CA 3.25Å; T84-V205 WeakPolarHBondContact OG1-CA 3.31Å; T84-D206 PolarHBondContact N-OD2 2.85Å; T84-D206 WeakPolarHBondContact O-CB 3.27Å; T84-D206 PolarHBondContact O-N 3.5Å; T84-D206 PolarHBondContact OG1-N 3.05Å; T84-D206 PolarHBondContact OG1-OD2 3.06Å; T84-Y207 PolarHBondContact O-N 3.24Å; T84-Y207 VanDerWaalsContact O-N 3.08Å
85V98Very high86.8Confident4 Ų456.2 Ų56.22%0.02429%0.291CS..EExtended strand (participates in β ladder)trans-126.7132.1-176.4-1780000109.4Y111 I114 K115 Y207 V226 M286V85-Y111 HydrophobicContact CB-CD1 4.23Å; V85-Y111 HydrophobicContact CB-CE1 3.99Å; V85-Y111 HydrophobicContact CG2-CD1 3.97Å; V85-Y111 HydrophobicContact CG2-CE1 3.38Å; V85-Y111 HydrophobicContact CG2-CE2 4.16Å; V85-Y111 VanDerWaalsContact CG2-CZ 3.5Å; V85-I114 HydrophobicContact CB-CG1 4.22Å; V85-I114 HydrophobicContact CG1-CD1 3.99Å; V85-I114 HydrophobicContact CG1-CG1 4.04Å; V85-K115 PolarHBondContact O-N 3.14Å; V85-Y207 WeakPolarHBondContact CA-O 3.25Å; V85-Y207 HydrophobicContact CG2-CD2 4.34Å; V85-V226 HydrophobicContact CG2-CG2 3.83Å; V85-M286 HydrophobicContact CG1-CE 3.86Å
86A98.4Very high88.3Confident0 Ų054 Ų540%028%0.283CS..EExtended strand (participates in β ladder)trans-108.2134.6165.500000110.7K115 L201 V205 Y207 V208 Q209A86-K115 CarbonylContact C-O 3.59Å; A86-K115 VanDerWaalsContact CA-O 3.32Å; A86-K115 WeakPolarHBondContact CA-O 3.32Å; A86-K115 HydrophobicContact CB-CB 4.38Å; A86-L201 HydrophobicContact CB-CD1 3.53Å; A86-L201 HydrophobicContact CB-CD2 3.64Å; A86-L201 HydrophobicContact CB-CG 4.26Å; A86-V205 HydrophobicContact CB-CB 4.49Å; A86-V205 HydrophobicContact CB-CG1 4.09Å; A86-V205 HydrophobicContact CB-CG2 3.94Å; A86-Y207 PolarHBondContact N-O 3.46Å; A86-V208 CarbonylContact O-C 3.6Å; A86-V208 WeakPolarHBondContact O-CA 3.32Å; A86-Q209 PolarHBondContact O-N 3.13Å
87L98.6Very high89.7Confident0 Ų050.8 Ų50.80%027%0.271CS..EExtended strand (participates in β ladder)trans-100.6115.2169.2176.765000109.4I89 V106 L109 I114 K115 V116 V117 Q209 C211 L217L87-I89 HydrophobicContact CD2-CD1 4.28Å; L87-I89 HydrophobicContact CD2-CG1 4.34Å; L87-I89 HydrophobicContact CG-CG1 4.12Å; L87-V106 HydrophobicContact CD2-CB 4.26Å; L87-V106 HydrophobicContact CD2-CG1 3.67Å; L87-V106 HydrophobicContact CD2-CG2 3.59Å; L87-L109 HydrophobicContact CD2-CD1 4.04Å; L87-I114 HydrophobicContact CB-CD1 3.91Å; L87-I114 HydrophobicContact CB-CG1 4.24Å; L87-K115 PolarHBondContact N-O 2.66Å; L87-V116 WeakPolarHBondContact O-CA 3.5Å; L87-V117 PolarHBondContact O-N 3.03Å; L87-Q209 CarbonylContact C-O 3.59Å; L87-Q209 WeakPolarHBondContact CA-O 3.46Å; L87-Q209 HydrophobicContact CD1-CB 3.95Å; L87-Q209 HydrophobicContact CD1-CG 3.61Å; L87-C211 HydrophobicContact CD1-CB 3.82Å; L87-L217 HydrophobicContact CD1-CD1 4.16Å; L87-L217 HydrophobicContact CD2-CD1 3.88Å
88C98.4Very high91.1Very high7 Ų748.7 Ų48.75%0.04726%0.255CS..EExtended strand (participates in β ladder)trans-99.2120.3176.9-60.90000110V117 A197 L201 Q209 V210 C211C88-V117 CarbonylContact C-O 3.47Å; C88-V117 VanDerWaalsContact CA-O 3.28Å; C88-V117 WeakPolarHBondContact CA-O 3.44Å; C88-A197 HydrophobicContact CB-CB 4.04Å; C88-L201 VanDerWaalsContact SG-CD1 3.54Å; C88-Q209 PolarHBondContact N-O 3.22Å; C88-V210 WeakPolarHBondContact O-CA 3.4Å; C88-C211 PolarHBondContact O-N 2.93Å
89I98.3Very high92.5Very high3 Ų342.9 Ų42.92%0.01522%0.217CC..EExtended strand (participates in β ladder)trans-110.8119.8179.6-53.9172.8000108.5L87 L103 V106 V116 V117 M118 V119 C211L87-I89 HydrophobicContact CD2-CD1 4.28Å; L87-I89 HydrophobicContact CD2-CG1 4.34Å; L87-I89 HydrophobicContact CG-CG1 4.12Å; I89-L103 HydrophobicContact CD1-CD2 3.99Å; I89-V106 HydrophobicContact CD1-CG2 4.01Å; I89-V116 HydrophobicContact CD1-CG1 4.02Å; I89-V117 PolarHBondContact N-O 3.02Å; I89-M118 HydrophobicContact CB-CB 4.18Å; I89-M118 HydrophobicContact CB-CG 3.96Å; I89-M118 HydrophobicContact CG2-CG 4.06Å; I89-M118 HydrophobicContact CG2-SD 4.37Å; I89-M118 WeakPolarHBondContact O-CA 3.4Å; I89-V119 PolarHBondContact O-N 2.82Å; I89-C211 WeakPolarHBondContact CA-O 3.38Å; I89-C211 HydrophobicContact CG1-CB 4.39Å
90A96.3Very high93.7Very high13 Ų1344.5 Ų44.511%0.10722%0.221CC..EExtended strand (participates in β ladder)trans-95.2126174.100000109.8K190 V193 M194 C211 S213A90-K190 HydrophobicContact CB-CG 4.35Å; A90-V193 HydrophobicContact CB-CG2 3.69Å; A90-M194 HydrophobicContact CB-CG 4.33Å; A90-C211 PolarHBondContact N-O 3.46Å; A90-S213 WeakPolarHBondContact O-CB 3.36Å; A90-S213 PolarHBondContact O-N 3.49Å; A90-S213 VanDerWaalsContact O-N 3.16Å; A90-S213 PolarHBondContact O-OG 2.9Å
91A95.8Very high94.5Very high3 Ų338.7 Ų38.73%0.02520%0.195CC..EExtended strand (participates in β ladder)trans-129.5141.2-176.600000112.2M118 V119 I120 D121 M130A91-M118 HydrophobicContact CB-CG 4.45Å; A91-M118 HydrophobicContact CB-SD 4.47Å; A91-V119 PolarHBondContact N-O 3.41Å; A91-I120 HydrophobicContact CB-CG1 4.22Å; A91-I120 CarbonylContact O-C 3.54Å; A91-I120 WeakPolarHBondContact O-CA 3.47Å; A91-D121 PolarHBondContact O-N 3.49Å; A91-M130 HydrophobicContact CB-SD 4.15Å
92Y93.5Very high95.1Very high84 Ų8435.5 Ų35.533%0.32918%0.179SC..SBendtrans-155.6117.7171.3179.5-116.9000111E94 D121 W187Y92-E94 PolarHBondContact O-N 3.49Å; Y92-D121 HydrophobicContact CD2-CB 3.95Å; Y92-D121 WeakPolarHBondContact CD2-O 3.48Å; Y92-D121 VanDerWaalsContact CE2-O 3.23Å; Y92-D121 WeakPolarHBondContact CE2-O 3.43Å; Y92-D121 HydrophobicContact CG-CB 4.26Å; Y92-W187 AromaticContact CE2-CD1 3.44Å; Y92-W187 VanDerWaalsContact CE2-CD1 3.44Å; Y92-W187 AromaticContact CE2-NE1 3.82Å; Y92-W187 AromaticContact CZ-CD1 3.72Å; Y92-W187 AromaticContact CZ-NE1 3.64Å
93Q90.7Very high95.5Very high22 Ų2230.3 Ų30.310%0.10315%0.151CC..SBendtrans39.250.5178-66.3-165.91.300113.1Y129 R468 K469 T470Q93-Y129 VanDerWaalsContact C-OH 3.28Å; Q93-Y129 WeakPolarHBondContact CA-OH 3.44Å; Q93-R468 PolarHBondContact O-N 3.01Å; Q93-K469 HydrophobicContact CB-CB 4.02Å; Q93-K469 PolarHBondContact O-N 3.02Å; Q93-T470 PolarHBondContact OE1-OG1 3.35Å
94E90.8Very high95.6Very high6 Ų631.1 Ų31.13%0.02816%0.157CC..  trans-77.5153.6-175.8-169.356.2-11500111.3Y92 L99 Y129 M130 S213 R468Y92-E94 PolarHBondContact O-N 3.49Å; E94-L99 HydrophobicContact CB-CB 4.42Å; E94-L99 HydrophobicContact CG-CB 4.07Å; E94-Y129 PolarHBondContact N-OH 2.77Å; E94-Y129 PolarHBondContact O-OH 2.77Å; E94-M130 HydrophobicContact CB-SD 4.32Å; E94-S213 PolarHBondContact OE2-OG 3Å; E94-R468 WeakPolarHBondContact OE1-CD 3.38Å; E94-R468 IonicContact OE1-CZ 3.74Å; E94-R468 IonicContact OE1-NE 2.93Å; E94-R468 IonicContact OE1-NH1 2.94Å; E94-R468 PolarHBondContact OE1-NH1 3.15Å; E94-R468 IonicContact OE2-NE 3.53Å; E94-R468 IonicContact OE2-NH1 2.7Å
95D92.1Very high95.6Very high55 Ų5528 Ų2829%0.29414%0.139SC..  trans-61.2128.3167.1-178.4-76.6000110.3D97 Y98 L99D95-D97 VanDerWaalsContact C-N 3.26Å; D95-D97 PolarHBondContact O-N 2.96Å; D95-D97 WeakPolarHBondContact OD1-CA 3.34Å; D95-D97 WeakPolarHBondContact OD1-CB 3.41Å; D95-D97 PolarHBondContact OD1-N 3.19Å; D95-Y98 HydrophobicContact CB-CD2 3.64Å; D95-Y98 HydrophobicContact CB-CE2 4.45Å; D95-Y98 HydrophobicContact CB-CG 4.4Å; D95-Y98 PolarHBondContact O-N 3.13Å; D95-Y98 PolarHBondContact OD1-N 2.94Å; D95-L99 PolarHBondContact O-N 3.42Å
96P94.3Very high95.5Very high54 Ų5428 Ų2835%0.35114%0.139SC..Hα-helixtrans-55.8-36-177.8-27.534.8000114.4R100 Y129 I133P96-R100 WeakPolarHBondContact O-CB 3.48Å; P96-R100 VanDerWaalsContact O-CG 3.23Å; P96-R100 WeakPolarHBondContact O-CG 3.38Å; P96-R100 PolarHBondContact O-N 3.28Å; P96-Y129 HydrophobicContact CG-CD2 4.16Å; P96-Y129 HydrophobicContact CG-CE2 3.88Å; P96-I133 HydrophobicContact CB-CD1 3.97Å
97D92.8Very high95.3Very high104 Ų10434.1 Ų34.156%0.55617%0.165SC*.Hα-helixtrans-73.2-40.5-177.7-68.6-27.1000111.2D95 R100 K101D95-D97 VanDerWaalsContact C-N 3.26Å; D95-D97 PolarHBondContact O-N 2.96Å; D95-D97 WeakPolarHBondContact OD1-CA 3.34Å; D95-D97 WeakPolarHBondContact OD1-CB 3.41Å; D95-D97 PolarHBondContact OD1-N 3.19Å; D97-R100 PolarHBondContact O-N 3.4Å; D97-K101 WeakPolarHBondContact O-CB 3.47Å; D97-K101 VanDerWaalsContact O-CG 3.27Å; D97-K101 WeakPolarHBondContact O-CG 3.38Å; D97-K101 PolarHBondContact O-N 3.47Å
98Y92.9Very high95.1Very high31 Ų3137.9 Ų37.912%0.12218%0.179CC..Hα-helixtrans-66.1-42.3174.6-71-53.6000111.7D95 R100 K101 C102 L245 E339D95-Y98 HydrophobicContact CB-CD2 3.64Å; D95-Y98 HydrophobicContact CB-CE2 4.45Å; D95-Y98 HydrophobicContact CB-CG 4.4Å; D95-Y98 PolarHBondContact O-N 3.13Å; D95-Y98 PolarHBondContact OD1-N 2.94Å; Y98-R100 PolarHBondContact O-N 2.74Å; Y98-K101 PolarHBondContact O-N 3.47Å; Y98-C102 WeakPolarHBondContact O-CB 3.26Å; Y98-C102 PolarHBondContact O-N 3.37Å; Y98-L245 HydrophobicContact CD1-CD2 3.7Å; Y98-L245 HydrophobicContact CE1-CD2 3.55Å; Y98-L245 HydrophobicContact CE1-CG 4.35Å; Y98-E339 HydrophobicContact CD2-CB 4.46Å; Y98-E339 HydrophobicContact CD2-CG 4.13Å; Y98-E339 HydrophobicContact CE1-CB 4.38Å; Y98-E339 HydrophobicContact CE1-CG 4.28Å; Y98-E339 HydrophobicContact CE2-CB 4.27Å; Y98-E339 HydrophobicContact CE2-CG 3.56Å
99L96.5Very high94.9Very high0 Ų038.5 Ų38.50%018%0.182CC..Hα-helixtrans-61.6-44.4176179.660.2000111.8E94 D95 K101 C102 L103 M118 M130 I133E94-L99 HydrophobicContact CB-CB 4.42Å; E94-L99 HydrophobicContact CG-CB 4.07Å; D95-L99 PolarHBondContact O-N 3.42Å; L99-K101 PolarHBondContact O-N 3.24Å; L99-C102 WeakPolarHBondContact O-CB 3.23Å; L99-C102 PolarHBondContact O-N 3.2Å; L99-L103 HydrophobicContact CD1-CD1 3.93Å; L99-L103 HydrophobicContact CD1-CG 4.18Å; L99-L103 HydrophobicContact CG-CD1 4Å; L99-L103 WeakPolarHBondContact O-CG 3.32Å; L99-L103 PolarHBondContact O-N 3.28Å; L99-M118 HydrophobicContact CD1-SD 4.07Å; L99-M130 HydrophobicContact CD2-CB 3.7Å; L99-M130 HydrophobicContact CD2-CG 3.67Å; L99-I133 HydrophobicContact CD2-CB 4.31Å; L99-I133 HydrophobicContact CD2-CD1 4.2Å; L99-I133 HydrophobicContact CD2-CG2 4.21Å; L99-I133 HydrophobicContact CG-CG2 4.14Å
100R97.1Very high94.7Very high77 Ų7742.3 Ų42.329%0.29121%0.206SC..Hα-helixtrans-59-46.7175.3-77.8178.3174.6-77.4-3.2111.5P96 D97 Y98 C102 L103 L104 I133 E136 I137P96-R100 WeakPolarHBondContact O-CB 3.48Å; P96-R100 VanDerWaalsContact O-CG 3.23Å; P96-R100 WeakPolarHBondContact O-CG 3.38Å; P96-R100 PolarHBondContact O-N 3.28Å; D97-R100 PolarHBondContact O-N 3.4Å; Y98-R100 PolarHBondContact O-N 2.74Å; R100-C102 PolarHBondContact O-N 3.05Å; R100-L103 PolarHBondContact O-N 2.83Å; R100-L104 WeakPolarHBondContact O-CB 3.15Å; R100-L104 VanDerWaalsContact O-CG 3.24Å; R100-L104 WeakPolarHBondContact O-CG 3.27Å; R100-L104 PolarHBondContact O-N 2.86Å; R100-I133 HydrophobicContact CG-CD1 4.44Å; R100-I133 HydrophobicContact CG-CG1 4.44Å; R100-I133 HydrophobicContact CG-CG2 3.57Å; R100-E136 IonicContact CZ-OE1 3.2Å; R100-E136 IonicContact CZ-OE2 2.74Å; R100-E136 VanDerWaalsContact NH1-CD 3.29Å; R100-E136 IonicContact NH1-OE1 3.97Å; R100-E136 PolarHBondContact NH1-OE1 3.2Å; R100-E136 IonicContact NH1-OE2 3.89Å; R100-E136 PolarHBondContact NH1-OE2 2.77Å; R100-E136 IonicContact NH2-OE1 3.48Å; R100-E136 IonicContact NH2-OE2 3.33Å; R100-E136 PolarHBondContact NH2-OE2 2.92Å; R100-I137 HydrophobicContact CB-CD1 4.16Å; R100-I137 HydrophobicContact CG-CD1 4.05Å
101K95.3Very high94.6Very high45 Ų4542 Ų4220%0.19620%0.202CC..Hα-helixtrans-61.8-41.5177.6-75.1171.2-175.41680112.4D97 Y98 L99 S105 M216 Y546D97-K101 WeakPolarHBondContact O-CB 3.47Å; D97-K101 VanDerWaalsContact O-CG 3.27Å; D97-K101 WeakPolarHBondContact O-CG 3.38Å; D97-K101 PolarHBondContact O-N 3.47Å; Y98-K101 PolarHBondContact O-N 3.47Å; L99-K101 PolarHBondContact O-N 3.24Å; K101-S105 WeakPolarHBondContact O-CB 3.47Å; K101-S105 PolarHBondContact O-N 2.97Å; K101-M216 HydrophobicContact CB-CE 4.4Å; K101-M216 HydrophobicContact CB-CG 3.8Å; K101-M216 HydrophobicContact CB-SD 3.79Å; K101-M216 HydrophobicContact CD-SD 4.09Å; K101-M216 HydrophobicContact CG-SD 4.26Å; K101-Y546 VanDerWaalsContact NZ-CD1 3.29Å
102C97.1Very high94.4Very high0 Ų045.3 Ų45.30%022%0.223CC..Hα-helixtrans-56.4-58.6173.5172.70000110.4Y98 L99 R100 L104 S105 V106 S213 T215Y98-C102 WeakPolarHBondContact O-CB 3.26Å; Y98-C102 PolarHBondContact O-N 3.37Å; L99-C102 WeakPolarHBondContact O-CB 3.23Å; L99-C102 PolarHBondContact O-N 3.2Å; R100-C102 PolarHBondContact O-N 3.05Å; C102-L104 PolarHBondContact O-N 3.25Å; C102-S105 WeakPolarHBondContact O-CA 3.5Å; C102-S105 WeakPolarHBondContact O-CB 3.49Å; C102-S105 PolarHBondContact O-N 3.41Å; C102-S105 PolarHBondContact O-OG 3.11Å; C102-V106 WeakPolarHBondContact O-CG2 3.18Å; C102-V106 PolarHBondContact O-N 2.82Å; C102-S213 WeakPolarHBondContact CB-O 3.44Å; C102-T215 WeakPolarHBondContact CA-O 3.34Å; C102-T215 VanDerWaalsContact CB-O 3.3Å; C102-T215 WeakPolarHBondContact CB-O 3.47Å; C102-T215 PolarHBondContact SG-O 3.16Å
103L97.7Very high94.2Very high0 Ų043.7 Ų43.70%023%0.232CC..Hα-helixtrans-65-36-176.3-66.5168.1000113.5I89 L99 R100 S105 V106 K107 M118 I133 F134 I137I89-L103 HydrophobicContact CD1-CD2 3.99Å; L99-L103 HydrophobicContact CD1-CD1 3.93Å; L99-L103 HydrophobicContact CD1-CG 4.18Å; L99-L103 HydrophobicContact CG-CD1 4Å; L99-L103 WeakPolarHBondContact O-CG 3.32Å; L99-L103 PolarHBondContact O-N 3.28Å; R100-L103 PolarHBondContact O-N 2.83Å; L103-S105 VanDerWaalsContact C-N 3.3Å; L103-S105 PolarHBondContact O-N 3.08Å; L103-V106 WeakPolarHBondContact O-CB 3.41Å; L103-V106 PolarHBondContact O-N 3.25Å; L103-K107 PolarHBondContact O-N 3.26Å; L103-K107 VanDerWaalsContact O-N 3.16Å; L103-M118 HydrophobicContact CD2-SD 4.22Å; L103-I133 HydrophobicContact CD1-CG2 3.86Å; L103-F134 HydrophobicContact CD1-CB 4.22Å; L103-F134 HydrophobicContact CD1-CD2 4.32Å; L103-F134 HydrophobicContact CD2-CD2 3.68Å; L103-F134 HydrophobicContact CD2-CE2 4.15Å; L103-I137 HydrophobicContact CB-CB 4.3Å; L103-I137 HydrophobicContact CB-CD1 3.75Å; L103-I137 HydrophobicContact CB-CG2 3.87Å; L103-I137 HydrophobicContact CD1-CD1 4.15Å
104L96.8Very high94.4Very high79 Ų7943.7 Ų43.741%0.41423%0.232SC..Hα-helixtrans-63.1-36.8172.2-74.7170.7000112R100 C102 I137R100-L104 WeakPolarHBondContact O-CB 3.15Å; R100-L104 VanDerWaalsContact O-CG 3.24Å; R100-L104 WeakPolarHBondContact O-CG 3.27Å; R100-L104 PolarHBondContact O-N 2.86Å; C102-L104 PolarHBondContact O-N 3.25Å; L104-I137 HydrophobicContact CD2-CG2 4.22Å; L104-I137 HydrophobicContact CG-CD1 4.23Å
105S96.5Very high94.7Very high1 Ų144.8 Ų44.81%0.00724%0.237CC..Hα-helixtrans-68.3-37.1174.979.30000112.2K101 C102 L103 K107 R108 L109 M216 L217K101-S105 WeakPolarHBondContact O-CB 3.47Å; K101-S105 PolarHBondContact O-N 2.97Å; C102-S105 WeakPolarHBondContact O-CA 3.5Å; C102-S105 WeakPolarHBondContact O-CB 3.49Å; C102-S105 PolarHBondContact O-N 3.41Å; C102-S105 PolarHBondContact O-OG 3.11Å; L103-S105 VanDerWaalsContact C-N 3.3Å; L103-S105 PolarHBondContact O-N 3.08Å; S105-K107 VanDerWaalsContact C-N 3.33Å; S105-K107 PolarHBondContact O-N 2.92Å; S105-R108 PolarHBondContact O-N 3.29Å; S105-L109 PolarHBondContact O-N 3.12Å; S105-M216 WeakPolarHBondContact OG-CA 3.49Å; S105-L217 PolarHBondContact OG-N 3.41Å
106V96.4Very high95Very high5 Ų542.4 Ų42.43%0.0322%0.224CC..Hα-helixtrans-60.2-41.8176172.80000111.5L87 I89 C102 L103 R108 L109 V116 L217L87-V106 HydrophobicContact CD2-CB 4.26Å; L87-V106 HydrophobicContact CD2-CG1 3.67Å; L87-V106 HydrophobicContact CD2-CG2 3.59Å; I89-V106 HydrophobicContact CD1-CG2 4.01Å; C102-V106 WeakPolarHBondContact O-CG2 3.18Å; C102-V106 PolarHBondContact O-N 2.82Å; L103-V106 WeakPolarHBondContact O-CB 3.41Å; L103-V106 PolarHBondContact O-N 3.25Å; V106-R108 PolarHBondContact O-N 3.46Å; V106-L109 HydrophobicContact CG1-CD1 4.34Å; V106-L109 WeakPolarHBondContact O-CB 3.38Å; V106-L109 WeakPolarHBondContact O-CG 3.26Å; V106-L109 PolarHBondContact O-N 2.99Å; V106-L109 VanDerWaalsContact O-N 3.16Å; V106-V116 HydrophobicContact CG1-CG1 4.2Å; V106-V116 HydrophobicContact CG1-CG2 3.68Å; V106-L217 HydrophobicContact CG2-CD1 4.19Å
107K93.3Very high95.2Very high127 Ų12739.8 Ų39.855%0.55221%0.208SC*.Hα-helixtrans-63.2-22.3175.6-74.7-174.471.3173.90114.2L103 S105 I137 M138L103-K107 PolarHBondContact O-N 3.26Å; L103-K107 VanDerWaalsContact O-N 3.16Å; S105-K107 VanDerWaalsContact C-N 3.33Å; S105-K107 PolarHBondContact O-N 2.92Å; K107-I137 HydrophobicContact CD-CG2 3.55Å; K107-I137 WeakPolarHBondContact CD-O 3.23Å; K107-I137 WeakPolarHBondContact CE-O 3.17Å; K107-I137 HydrophobicContact CG-CG2 4.24Å; K107-I137 PolarHBondContact NZ-O 2.83Å; K107-M138 HydrophobicContact CD-SD 4.41Å; K107-M138 HydrophobicContact CG-SD 3.97Å
108R94.3Very high95.4Very high80 Ų8034.9 Ų34.930%0.30218%0.181SC..THydrogen-bonded Turntrans-92.20.4179.7-64.9-173.3-60.3-109.41.6113.1S105 V106 T110 P219 V549S105-R108 PolarHBondContact O-N 3.29Å; V106-R108 PolarHBondContact O-N 3.46Å; R108-T110 PolarHBondContact O-N 2.93Å; R108-P219 WeakPolarHBondContact O-CB 3.44Å; R108-V549 VanDerWaalsContact NE-CG1 3.34Å
109L95.1Very high95.7Very high20 Ų2033.4 Ų33.411%0.10518%0.176CC..  trans-59.5132.1175.9-69.5174.8000110.3L87 S105 V106 Y111 I114 L217 D218 S221L87-L109 HydrophobicContact CD2-CD1 4.04Å; S105-L109 PolarHBondContact O-N 3.12Å; V106-L109 HydrophobicContact CG1-CD1 4.34Å; V106-L109 WeakPolarHBondContact O-CB 3.38Å; V106-L109 WeakPolarHBondContact O-CG 3.26Å; V106-L109 PolarHBondContact O-N 2.99Å; V106-L109 VanDerWaalsContact O-N 3.16Å; L109-Y111 VanDerWaalsContact C-N 3.32Å; L109-I114 HydrophobicContact CD1-CD1 3.87Å; L109-L217 HydrophobicContact CD1-CD1 4.17Å; L109-L217 HydrophobicContact CD2-CB 4.05Å; L109-L217 HydrophobicContact CD2-CD1 4.41Å; L109-D218 WeakPolarHBondContact CD2-O 3.45Å; L109-S221 WeakPolarHBondContact CD2-OG 3.39Å
110T93.5Very high95.8Very high83 Ų8333.4 Ų33.451%0.50918%0.176SC..  trans-81.9-13.8-178.156.20000112.8R108 P219R108-T110 PolarHBondContact O-N 2.93Å; T110-P219 WeakPolarHBondContact CB-O 3.25Å; T110-P219 HydrophobicContact CG2-CB 3.95Å; T110-P219 PolarHBondContact N-O 2.85Å; T110-P219 PolarHBondContact OG1-O 3.35Å
111Y94.3Very high95.7Very high6 Ų630 Ų302%0.02416%0.163CC..SBendtrans-67.3123179.6-163-83.7000110.5L81 K83 V85 L109 G113 V223 V226L81-Y111 HydrophobicContact CB-CE2 4.3Å; L81-Y111 HydrophobicContact CD2-CD2 4.2Å; L81-Y111 HydrophobicContact CD2-CE2 3.73Å; L81-Y111 HydrophobicContact CG-CE2 4.49Å; K83-Y111 WeakPolarHBondContact O-CE1 3.48Å; K83-Y111 PolarHBondContact O-OH 2.63Å; V85-Y111 HydrophobicContact CB-CD1 4.23Å; V85-Y111 HydrophobicContact CB-CE1 3.99Å; V85-Y111 HydrophobicContact CG2-CD1 3.97Å; V85-Y111 HydrophobicContact CG2-CE1 3.38Å; V85-Y111 HydrophobicContact CG2-CE2 4.16Å; V85-Y111 VanDerWaalsContact CG2-CZ 3.5Å; L109-Y111 VanDerWaalsContact C-N 3.32Å; Y111-G113 PolarHBondContact O-N 2.98Å; Y111-V223 HydrophobicContact CD2-CB 4.47Å; Y111-V223 HydrophobicContact CD2-CG2 3.79Å; Y111-V223 HydrophobicContact CG-CG2 4.41Å; Y111-V226 HydrophobicContact CD2-CG2 4.3Å; Y111-V226 HydrophobicContact CE2-CB 3.98Å; Y111-V226 HydrophobicContact CE2-CG1 4.1Å; Y111-V226 HydrophobicContact CE2-CG2 3.63Å
112P91.8Very high95.6Very high73 Ų7328.1 Ų28.147%0.47416%0.156SC..THydrogen-bonded Turntrans-68.9136-174.328.1-34.5000111L81 I114L81-P112 HydrophobicContact CB-CG 4.03Å; L81-P112 HydrophobicContact CD1-CG 4.5Å; P112-I114 VanDerWaalsContact C-N 3.3Å; P112-I114 PolarHBondContact O-N 3.02Å
113G88.3Confident95.4Very high50 Ų5030.6 Ų30.652%0.51517%0.169SC..THydrogen-bonded Turntrans71.916.6166.700000116.2Y111 K115Y111-G113 PolarHBondContact O-N 2.98Å; G113-K115 PolarHBondContact O-N 2.98Å
114I95Very high95.2Very high21 Ų2133 Ų3311%0.10819%0.186CC..  trans-55.9131.9178.7-158.7166.5000111.3V85 L87 L109 P112 V116V85-I114 HydrophobicContact CB-CG1 4.22Å; V85-I114 HydrophobicContact CG1-CD1 3.99Å; V85-I114 HydrophobicContact CG1-CG1 4.04Å; L87-I114 HydrophobicContact CB-CD1 3.91Å; L87-I114 HydrophobicContact CB-CG1 4.24Å; L109-I114 HydrophobicContact CD1-CD1 3.87Å; P112-I114 VanDerWaalsContact C-N 3.3Å; P112-I114 PolarHBondContact O-N 3.02Å; I114-V116 HydrophobicContact CG2-CG2 4.4Å
115K97.4Very high94.9Very high30 Ų3038.2 Ų38.213%0.1321%0.208CC..EExtended strand (participates in β ladder)trans-86.9134.5171.5-176.4-176.9-73.4-92.50108.2V85 A86 L87 G113 V117 V175 L176 N178 K179 L201V85-K115 PolarHBondContact O-N 3.14Å; A86-K115 CarbonylContact C-O 3.59Å; A86-K115 VanDerWaalsContact CA-O 3.32Å; A86-K115 WeakPolarHBondContact CA-O 3.32Å; A86-K115 HydrophobicContact CB-CB 4.38Å; L87-K115 PolarHBondContact N-O 2.66Å; G113-K115 PolarHBondContact O-N 2.98Å; K115-V117 HydrophobicContact CD-CG2 4.46Å; K115-V117 HydrophobicContact CG-CG2 4.35Å; K115-V175 PolarHBondContact NZ-O 3.1Å; K115-L176 PolarHBondContact NZ-O 3.38Å; K115-N178 PolarHBondContact NZ-O 2.73Å; K115-K179 CarbonylContact C-O 3.56Å; K115-K179 WeakPolarHBondContact CA-O 3.32Å; K115-K179 WeakPolarHBondContact CG-O 3.36Å; K115-L201 HydrophobicContact CD-CD2 3.73Å
116V98.3Very high94.7Very high4 Ų442.8 Ų42.82%0.02423%0.233CC..EExtended strand (participates in β ladder)trans-114.2123.8-179.9-176.70000108.9L87 I89 V106 I114 F134 M138 K179 S180 V181L87-V116 WeakPolarHBondContact O-CA 3.5Å; I89-V116 HydrophobicContact CD1-CG1 4.02Å; V106-V116 HydrophobicContact CG1-CG1 4.2Å; V106-V116 HydrophobicContact CG1-CG2 3.68Å; I114-V116 HydrophobicContact CG2-CG2 4.4Å; V116-F134 HydrophobicContact CG1-CE2 4.11Å; V116-F134 HydrophobicContact CG1-CZ 4.49Å; V116-M138 HydrophobicContact CB-CE 4Å; V116-M138 HydrophobicContact CG1-CE 4.21Å; V116-M138 HydrophobicContact CG2-CE 3.91Å; V116-K179 PolarHBondContact N-O 3.37Å; V116-S180 CarbonylContact O-C 3.21Å; V116-S180 WeakPolarHBondContact O-CA 3.5Å; V116-V181 PolarHBondContact O-N 3.01Å
117V98.6Very high94.6Very high0 Ų042.8 Ų42.80%023%0.233CC..EExtended strand (participates in β ladder)trans-125107.7176.5-175.10000107.7L87 C88 I89 K115 V119 V175 V181 I183 A197 L201L87-V117 PolarHBondContact O-N 3.03Å; C88-V117 CarbonylContact C-O 3.47Å; C88-V117 VanDerWaalsContact CA-O 3.28Å; C88-V117 WeakPolarHBondContact CA-O 3.44Å; I89-V117 PolarHBondContact N-O 3.02Å; K115-V117 HydrophobicContact CD-CG2 4.46Å; K115-V117 HydrophobicContact CG-CG2 4.35Å; V117-V119 HydrophobicContact CG1-CG2 4.1Å; V117-V175 HydrophobicContact CG1-CG2 4.14Å; V117-V175 HydrophobicContact CG2-CG1 3.91Å; V117-V181 CarbonylContact C-O 3.59Å; V117-V181 WeakPolarHBondContact CA-O 3.3Å; V117-I183 HydrophobicContact CG1-CD1 4.49Å; V117-A197 HydrophobicContact CG1-CB 4.18Å; V117-L201 HydrophobicContact CG2-CD2 4.22Å
118M98.5Very high94.7Very high0 Ų039.1 Ų39.10%022%0.221CC..EExtended strand (participates in β ladder)trans-98.6129.7171.4-170.8173.380.300109.3I89 A91 L99 L103 I120 F134 V181 C182 I183I89-M118 HydrophobicContact CB-CB 4.18Å; I89-M118 HydrophobicContact CB-CG 3.96Å; I89-M118 HydrophobicContact CG2-CG 4.06Å; I89-M118 HydrophobicContact CG2-SD 4.37Å; I89-M118 WeakPolarHBondContact O-CA 3.4Å; A91-M118 HydrophobicContact CB-CG 4.45Å; A91-M118 HydrophobicContact CB-SD 4.47Å; L99-M118 HydrophobicContact CD1-SD 4.07Å; L103-M118 HydrophobicContact CD2-SD 4.22Å; M118-I120 HydrophobicContact CE-CD1 3.87Å; M118-I120 HydrophobicContact CE-CG1 3.97Å; M118-F134 HydrophobicContact CB-CD2 3.87Å; M118-F134 HydrophobicContact CB-CE2 3.72Å; M118-F134 HydrophobicContact CE-CB 3.5Å; M118-F134 HydrophobicContact CE-CD2 3.67Å; M118-F134 HydrophobicContact CE-CG 3.84Å; M118-F134 HydrophobicContact CG-CD2 4.47Å; M118-F134 HydrophobicContact SD-CD2 3.82Å; M118-V181 PolarHBondContact N-O 3.41Å; M118-C182 HydrophobicContact CE-CB 4.34Å; M118-C182 WeakPolarHBondContact CE-SG 3.41Å; M118-C182 CarbonylContact O-C 3.58Å; M118-C182 VanDerWaalsContact O-CA 3.29Å; M118-C182 WeakPolarHBondContact O-CA 3.23Å; M118-I183 PolarHBondContact O-N 3.42Å
119V98.3Very high94.8Very high1 Ų137.3 Ų37.31%0.00621%0.214CC..EExtended strand (participates in β ladder)trans-120.9123175-171.50000108.7I89 A91 V117 I183 Q185 V193 T196 A197I89-V119 PolarHBondContact O-N 2.82Å; A91-V119 PolarHBondContact N-O 3.41Å; V117-V119 HydrophobicContact CG1-CG2 4.1Å; V119-I183 CarbonylContact C-O 3.06Å; V119-I183 WeakPolarHBondContact CA-O 3.35Å; V119-I183 HydrophobicContact CG1-CB 4.43Å; V119-I183 HydrophobicContact CG2-CB 4.47Å; V119-I183 HydrophobicContact CG2-CD1 4.42Å; V119-Q185 HydrophobicContact CG1-CG 4Å; V119-V193 HydrophobicContact CB-CB 3.91Å; V119-V193 HydrophobicContact CB-CG1 4.38Å; V119-V193 HydrophobicContact CG1-CB 3.68Å; V119-V193 HydrophobicContact CG1-CG1 3.73Å; V119-T196 HydrophobicContact CG1-CG2 4.11Å; V119-T196 HydrophobicContact CG2-CG2 4.26Å; V119-A197 HydrophobicContact CG2-CB 4.04Å
120I97.8Very high94.9Very high0 Ų036.4 Ų36.40%021%0.209CC..EExtended strand (participates in β ladder)trans-96.6123.3-179.3-60.4164.5000108.4A91 M118 G122 D127 M130 M131 C182 I183 M184 Q185A91-I120 HydrophobicContact CB-CG1 4.22Å; A91-I120 CarbonylContact O-C 3.54Å; A91-I120 WeakPolarHBondContact O-CA 3.47Å; M118-I120 HydrophobicContact CE-CD1 3.87Å; M118-I120 HydrophobicContact CE-CG1 3.97Å; I120-G122 WeakPolarHBondContact CG2-O 3.29Å; I120-G122 PolarHBondContact O-N 3Å; I120-D127 HydrophobicContact CG2-CB 4.21Å; I120-M130 HydrophobicContact CD1-CB 3.67Å; I120-M130 HydrophobicContact CG1-CB 4.21Å; I120-M130 HydrophobicContact CG2-CE 3.35Å; I120-M130 HydrophobicContact CG2-SD 4.24Å; I120-M131 HydrophobicContact CD1-CB 3.98Å; I120-C182 VanDerWaalsContact CD1-SG 3.56Å; I120-I183 PolarHBondContact N-O 2.95Å; I120-M184 HydrophobicContact CB-CG 4.13Å; I120-M184 HydrophobicContact CD1-CG 3.67Å; I120-M184 HydrophobicContact CG1-CG 4.45Å; I120-Q185 WeakPolarHBondContact O-CG 3.38Å; I120-Q185 PolarHBondContact O-N 3.13Å; I120-Q185 VanDerWaalsContact O-N 3.16Å
121D94.8Very high95.1Very high6 Ų633.6 Ų33.63%0.03219%0.191CC..SBendtrans-78.751.8-179.9-164.724.1000111.5A91 Y92 W187 G188 G189 V193A91-D121 PolarHBondContact O-N 3.49Å; Y92-D121 HydrophobicContact CD2-CB 3.95Å; Y92-D121 WeakPolarHBondContact CD2-O 3.48Å; Y92-D121 VanDerWaalsContact CE2-O 3.23Å; Y92-D121 WeakPolarHBondContact CE2-O 3.43Å; Y92-D121 HydrophobicContact CG-CB 4.26Å; D121-W187 VanDerWaalsContact O-CD1 3.27Å; D121-W187 WeakPolarHBondContact OD1-CA 3.46Å; D121-G188 PolarHBondContact OD1-N 3.18Å; D121-G189 PolarHBondContact OD1-N 2.81Å; D121-G189 VanDerWaalsContact OD1-N 3.12Å; D121-G189 WeakPolarHBondContact OD2-CA 3.3Å; D121-G189 PolarHBondContact OD2-N 2.96Å; D121-V193 VanDerWaalsContact CA-CG1 3.47Å; D121-V193 HydrophobicContact CB-CG1 3.45Å; D121-V193 VanDerWaalsContact CB-CG1 3.45Å
122G93.6Very high95.2Very high4 Ų437.6 Ų37.64%0.04121%0.213CC..  trans173.4138.3-174.600000110.1I120 D127 Q185I120-G122 WeakPolarHBondContact CG2-O 3.29Å; I120-G122 PolarHBondContact O-N 3Å; G122-D127 VanDerWaalsContact C-OD2 3.3Å; G122-D127 WeakPolarHBondContact CA-OD2 3.28Å; G122-Q185 CarbonylContact C-O 3.55Å; G122-Q185 WeakPolarHBondContact CA-O 3.47Å; G122-Q185 PolarHBondContact N-O 3.32Å
123N93.4Very high95.5Very high52 Ų5234.5 Ų34.528%0.27819%0.192SC..  trans-13024-179.462.3-2.9000112.2D127 V147 W148 R149 M184 Q185 K186N123-D127 PolarHBondContact N-OD2 2.86Å; N123-V147 HydrophobicContact CB-CG1 4.15Å; N123-W148 PolarHBondContact ND2-O 3.26Å; N123-R149 VanDerWaalsContact ND2-C 3.26Å; N123-R149 WeakPolarHBondContact ND2-CA 3.45Å; N123-R149 PolarHBondContact ND2-O 2.74Å; N123-M184 HydrophobicContact CB-CB 4.16Å; N123-Q185 PolarHBondContact N-O 2.95Å; N123-K186 PolarHBondContact ND2-N 3.34Å
124S92.9Very high96Very high52 Ų5232.1 Ų32.136%0.36417%0.168SC..SBendtrans-86.6167173.973.30000111.5D126 D127S124-D126 PolarHBondContact O-N 3.49Å; S124-D126 PolarHBondContact OG-N 3.16Å; S124-D127 PolarHBondContact N-OD2 2.85Å; S124-D127 VanDerWaalsContact N-OD2 3.12Å; S124-D127 PolarHBondContact O-N 3.21Å; S124-D127 PolarHBondContact OG-OD2 2.86Å
125E91.8Very high96.1Very high187 Ų18732.2 Ų32.287%0.87417%0.169SC*.G310 helixtrans-56.7-31.3174.9-67.3-174.5174.600112.2D127 V128E125-D127 PolarHBondContact O-N 2.93Å; E125-V128 PolarHBondContact O-N 2.85Å
126D91.3Very high96.1Very high98 Ų9836 Ų3652%0.52419%0.187SC..G310 helixtrans-65.1-19.3177.5-88.1-44.3000114.1S124 Y129 K469S124-D126 PolarHBondContact O-N 3.49Å; S124-D126 PolarHBondContact OG-N 3.16Å; D126-Y129 WeakPolarHBondContact O-CD1 3.47Å; D126-Y129 WeakPolarHBondContact O-CE1 3.43Å; D126-K469 PolarHBondContact O-NZ 3.14Å; D126-K469 IonicContact OD1-NZ 3.6Å; D126-K469 PolarHBondContact OD1-NZ 3.08Å
127D93.7Very high96Very high5 Ų536.4 Ų36.43%0.02719%0.189CC..G310 helixtrans-99.1-17.2-176-56-58.1000112.7I120 G122 N123 S124 E125 Y129 M130 M184I120-D127 HydrophobicContact CG2-CB 4.21Å; G122-D127 VanDerWaalsContact C-OD2 3.3Å; G122-D127 WeakPolarHBondContact CA-OD2 3.28Å; N123-D127 PolarHBondContact N-OD2 2.86Å; S124-D127 PolarHBondContact N-OD2 2.85Å; S124-D127 VanDerWaalsContact N-OD2 3.12Å; S124-D127 PolarHBondContact O-N 3.21Å; S124-D127 PolarHBondContact OG-OD2 2.86Å; E125-D127 PolarHBondContact O-N 2.93Å; D127-Y129 PolarHBondContact O-N 3.17Å; D127-Y129 VanDerWaalsContact O-N 3.16Å; D127-M130 HydrophobicContact CB-CE 3.82Å; D127-M130 PolarHBondContact O-N 3.23Å; D127-M184 HydrophobicContact CB-CE 3.7Å
128V95.9Very high95.8Very high50 Ų5037.4 Ų37.430%0.30319%0.194SC..Hα-helixtrans-57.6-35.3-171.7174.30000112.4E125 M130 M131 D132 M184E125-V128 PolarHBondContact O-N 2.85Å; V128-M130 PolarHBondContact O-N 3.01Å; V128-M130 VanDerWaalsContact O-N 3.09Å; V128-M131 WeakPolarHBondContact O-CB 3Å; V128-M131 PolarHBondContact O-N 3.28Å; V128-D132 PolarHBondContact O-N 2.8Å; V128-M184 HydrophobicContact CB-CE 4.47Å; V128-M184 HydrophobicContact CG2-CE 3.89Å
129Y96.6Very high95.5Very high42 Ų4238.5 Ų38.517%0.16521%0.206CC..Hα-helixtrans-55.3-31.3178.578.8-79000113.4Q93 E94 P96 D126 D127 D132 I133 K469Q93-Y129 VanDerWaalsContact C-OH 3.28Å; Q93-Y129 WeakPolarHBondContact CA-OH 3.44Å; E94-Y129 PolarHBondContact N-OH 2.77Å; E94-Y129 PolarHBondContact O-OH 2.77Å; P96-Y129 HydrophobicContact CG-CD2 4.16Å; P96-Y129 HydrophobicContact CG-CE2 3.88Å; D126-Y129 WeakPolarHBondContact O-CD1 3.47Å; D126-Y129 WeakPolarHBondContact O-CE1 3.43Å; D127-Y129 PolarHBondContact O-N 3.17Å; D127-Y129 VanDerWaalsContact O-N 3.16Å; Y129-D132 PolarHBondContact O-N 2.94Å; Y129-I133 HydrophobicContact CD2-CD1 3.83Å; Y129-I133 HydrophobicContact CE2-CD1 4.4Å; Y129-I133 WeakPolarHBondContact O-CB 3.43Å; Y129-I133 WeakPolarHBondContact O-CD1 3.24Å; Y129-I133 WeakPolarHBondContact O-CG1 3.41Å; Y129-I133 PolarHBondContact O-N 2.91Å; Y129-K469 HydrophobicContact CE1-CD 3.98Å
130M97.3Very high95Very high0 Ų048 Ų480%024%0.241CC..Hα-helixtrans-69-39.6178.4-66.1-175.9-83.800111.2A91 E94 L99 I120 D127 V128 F134A91-M130 HydrophobicContact CB-SD 4.15Å; E94-M130 HydrophobicContact CB-SD 4.32Å; L99-M130 HydrophobicContact CD2-CB 3.7Å; L99-M130 HydrophobicContact CD2-CG 3.67Å; I120-M130 HydrophobicContact CD1-CB 3.67Å; I120-M130 HydrophobicContact CG1-CB 4.21Å; I120-M130 HydrophobicContact CG2-CE 3.35Å; I120-M130 HydrophobicContact CG2-SD 4.24Å; D127-M130 HydrophobicContact CB-CE 3.82Å; D127-M130 PolarHBondContact O-N 3.23Å; V128-M130 PolarHBondContact O-N 3.01Å; V128-M130 VanDerWaalsContact O-N 3.09Å; M130-F134 PolarHBondContact O-N 3.38Å
131M97.5Very high94.4Very high24 Ų2456 Ų5612%0.11828%0.284CS..Hα-helixtrans-68.1-38.5175.1-175.6173.470.200111.1I120 V128 F134 T135 T145 V147 M184I120-M131 HydrophobicContact CD1-CB 3.98Å; V128-M131 WeakPolarHBondContact O-CB 3Å; V128-M131 PolarHBondContact O-N 3.28Å; M131-F134 PolarHBondContact O-N 2.79Å; M131-T135 WeakPolarHBondContact O-CB 3.28Å; M131-T135 PolarHBondContact O-N 3.13Å; M131-T135 PolarHBondContact O-OG1 2.95Å; M131-T145 HydrophobicContact CG-CG2 3.85Å; M131-T145 HydrophobicContact SD-CG2 4.05Å; M131-V147 HydrophobicContact CE-CG2 3.95Å; M131-V147 HydrophobicContact SD-CG2 4.16Å; M131-M184 HydrophobicContact CB-CG 4.32Å; M131-M184 HydrophobicContact CB-SD 3.86Å; M131-M184 HydrophobicContact CE-SD 3.74Å; M131-M184 HydrophobicContact CG-SD 4.39Å; M131-M184 HydrophobicContact SD-CG 4.11Å; M131-M184 HydrophobicContact SD-SD 3.66Å; M131-M184 VanDerWaalsContact SD-SD 3.66Å
132D97.4Very high94.1Very high90 Ų9063.5 Ų63.548%0.48132%0.316SS..Hα-helixtrans-62.4-47175.2-69.6-26.8000111.6V128 Y129 F134 T135 E136V128-D132 PolarHBondContact O-N 2.8Å; Y129-D132 PolarHBondContact O-N 2.94Å; D132-F134 VanDerWaalsContact C-N 3.31Å; D132-F134 PolarHBondContact O-N 2.85Å; D132-T135 PolarHBondContact O-N 2.93Å; D132-E136 WeakPolarHBondContact O-CB 3.33Å; D132-E136 PolarHBondContact O-N 3.42Å
133I97.9Very high94.1Very high9 Ų964 Ų645%0.04632%0.32CS..Hα-helixtrans-58.5-43.5175.6-71.2166.9000110.9P96 L99 R100 L103 Y129 I137P96-I133 HydrophobicContact CB-CD1 3.97Å; L99-I133 HydrophobicContact CD2-CB 4.31Å; L99-I133 HydrophobicContact CD2-CD1 4.2Å; L99-I133 HydrophobicContact CD2-CG2 4.21Å; L99-I133 HydrophobicContact CG-CG2 4.14Å; R100-I133 HydrophobicContact CG-CD1 4.44Å; R100-I133 HydrophobicContact CG-CG1 4.44Å; R100-I133 HydrophobicContact CG-CG2 3.57Å; L103-I133 HydrophobicContact CD1-CG2 3.86Å; Y129-I133 HydrophobicContact CD2-CD1 3.83Å; Y129-I133 HydrophobicContact CE2-CD1 4.4Å; Y129-I133 WeakPolarHBondContact O-CB 3.43Å; Y129-I133 WeakPolarHBondContact O-CD1 3.24Å; Y129-I133 WeakPolarHBondContact O-CG1 3.41Å; Y129-I133 PolarHBondContact O-N 2.91Å; I133-I137 HydrophobicContact CG2-CD1 3.84Å; I133-I137 WeakPolarHBondContact O-CG1 3.46Å; I133-I137 PolarHBondContact O-N 2.63Å
134F98.1Very high94.3Very high0 Ų062.2 Ų62.20%031%0.311CS..Hα-helixtrans-60.1-49.5176.5-178.9-87.6000112.1L103 V116 M118 M130 M131 D132 E136 I137 M138 V181 C182L103-F134 HydrophobicContact CD1-CB 4.22Å; L103-F134 HydrophobicContact CD1-CD2 4.32Å; L103-F134 HydrophobicContact CD2-CD2 3.68Å; L103-F134 HydrophobicContact CD2-CE2 4.15Å; V116-F134 HydrophobicContact CG1-CE2 4.11Å; V116-F134 HydrophobicContact CG1-CZ 4.49Å; M118-F134 HydrophobicContact CB-CD2 3.87Å; M118-F134 HydrophobicContact CB-CE2 3.72Å; M118-F134 HydrophobicContact CE-CB 3.5Å; M118-F134 HydrophobicContact CE-CD2 3.67Å; M118-F134 HydrophobicContact CE-CG 3.84Å; M118-F134 HydrophobicContact CG-CD2 4.47Å; M118-F134 HydrophobicContact SD-CD2 3.82Å; M130-F134 PolarHBondContact O-N 3.38Å; M131-F134 PolarHBondContact O-N 2.79Å; D132-F134 VanDerWaalsContact C-N 3.31Å; D132-F134 PolarHBondContact O-N 2.85Å; F134-E136 VanDerWaalsContact C-N 3.33Å; F134-E136 PolarHBondContact O-N 2.75Å; F134-I137 PolarHBondContact O-N 2.84Å; F134-M138 HydrophobicContact CD1-CB 4.4Å; F134-M138 HydrophobicContact CD1-CG 4.1Å; F134-M138 HydrophobicContact CD2-CG 3.98Å; F134-M138 HydrophobicContact CE1-CB 4.18Å; F134-M138 HydrophobicContact CE1-CG 3.91Å; F134-M138 HydrophobicContact CE2-CG 3.77Å; F134-M138 HydrophobicContact CG-CG 4.15Å; F134-M138 HydrophobicContact CZ-CB 4.42Å; F134-M138 HydrophobicContact CZ-CG 3.75Å; F134-M138 VanDerWaalsContact O-CB 3.27Å; F134-M138 WeakPolarHBondContact O-CB 3.36Å; F134-M138 VanDerWaalsContact O-CG 3.29Å; F134-M138 WeakPolarHBondContact O-CG 3.3Å; F134-M138 PolarHBondContact O-N 3.46Å; F134-V181 WeakPolarHBondContact CZ-O 2.91Å; F134-C182 HydrophobicContact CB-CB 4.31Å; F134-C182 HydrophobicContact CD1-CB 3.37Å; F134-C182 HydrophobicContact CD2-CB 4.27Å; F134-C182 HydrophobicContact CE1-CB 3.58Å; F134-C182 HydrophobicContact CE2-CB 4.45Å; F134-C182 HydrophobicContact CG-CB 3.73Å; F134-C182 HydrophobicContact CZ-CB 4.12Å
135T97.1Very high94.5Very high23 Ų2362.8 Ų62.814%0.14131%0.313CS..Hα-helixtrans-65.8-38.8-176.7-50.10000111.1M131 D132 G139 R140 T145M131-T135 WeakPolarHBondContact O-CB 3.28Å; M131-T135 PolarHBondContact O-N 3.13Å; M131-T135 PolarHBondContact O-OG1 2.95Å; D132-T135 PolarHBondContact O-N 2.93Å; T135-G139 CarbonylContact O-C 3.5Å; T135-G139 VanDerWaalsContact O-CA 3.32Å; T135-G139 WeakPolarHBondContact O-CA 3.5Å; T135-G139 PolarHBondContact O-N 3.19Å; T135-R140 HydrophobicContact CG2-CB 4.23Å; T135-R140 HydrophobicContact CG2-CG 3.68Å; T135-R140 PolarHBondContact O-N 3.17Å; T135-T145 WeakPolarHBondContact OG1-CG2 3.5Å
136E96.9Very high94.7Very high109 Ų10956.4 Ų56.451%0.50928%0.281SS..Hα-helixtrans-60-50.3173.7-174.2-165.1135.800111.6R100 D132 F134R100-E136 IonicContact CZ-OE1 3.2Å; R100-E136 IonicContact CZ-OE2 2.74Å; R100-E136 VanDerWaalsContact NH1-CD 3.29Å; R100-E136 IonicContact NH1-OE1 3.97Å; R100-E136 PolarHBondContact NH1-OE1 3.2Å; R100-E136 IonicContact NH1-OE2 3.89Å; R100-E136 PolarHBondContact NH1-OE2 2.77Å; R100-E136 IonicContact NH2-OE1 3.48Å; R100-E136 IonicContact NH2-OE2 3.33Å; R100-E136 PolarHBondContact NH2-OE2 2.92Å; D132-E136 WeakPolarHBondContact O-CB 3.33Å; D132-E136 PolarHBondContact O-N 3.42Å; F134-E136 VanDerWaalsContact C-N 3.33Å; F134-E136 PolarHBondContact O-N 2.75Å
137I96.3Very high94.9Very high13 Ų1355 Ų557%0.06728%0.276CS..Hα-helixtrans-73.9-47.4-174.7-69.4172.1000111.4R100 L103 L104 K107 I133 F134 G139R100-I137 HydrophobicContact CB-CD1 4.16Å; R100-I137 HydrophobicContact CG-CD1 4.05Å; L103-I137 HydrophobicContact CB-CB 4.3Å; L103-I137 HydrophobicContact CB-CD1 3.75Å; L103-I137 HydrophobicContact CB-CG2 3.87Å; L103-I137 HydrophobicContact CD1-CD1 4.15Å; L104-I137 HydrophobicContact CD2-CG2 4.22Å; L104-I137 HydrophobicContact CG-CD1 4.23Å; K107-I137 HydrophobicContact CD-CG2 3.55Å; K107-I137 WeakPolarHBondContact CD-O 3.23Å; K107-I137 WeakPolarHBondContact CE-O 3.17Å; K107-I137 HydrophobicContact CG-CG2 4.24Å; K107-I137 PolarHBondContact NZ-O 2.83Å; I133-I137 HydrophobicContact CG2-CD1 3.84Å; I133-I137 WeakPolarHBondContact O-CG1 3.46Å; I133-I137 PolarHBondContact O-N 2.63Å; F134-I137 PolarHBondContact O-N 2.84Å; I137-G139 VanDerWaalsContact C-N 3.26Å; I137-G139 PolarHBondContact O-N 2.95Å
138M95.1Very high94.9Very high21 Ų2154.9 Ų54.910%0.10328%0.275CS..Hα-helixtrans-75.2-18.3-177-59.5-57-75.800112.5K107 V116 F134 S180K107-M138 HydrophobicContact CD-SD 4.41Å; K107-M138 HydrophobicContact CG-SD 3.97Å; V116-M138 HydrophobicContact CB-CE 4Å; V116-M138 HydrophobicContact CG1-CE 4.21Å; V116-M138 HydrophobicContact CG2-CE 3.91Å; F134-M138 HydrophobicContact CD1-CB 4.4Å; F134-M138 HydrophobicContact CD1-CG 4.1Å; F134-M138 HydrophobicContact CD2-CG 3.98Å; F134-M138 HydrophobicContact CE1-CB 4.18Å; F134-M138 HydrophobicContact CE1-CG 3.91Å; F134-M138 HydrophobicContact CE2-CG 3.77Å; F134-M138 HydrophobicContact CG-CG 4.15Å; F134-M138 HydrophobicContact CZ-CB 4.42Å; F134-M138 HydrophobicContact CZ-CG 3.75Å; F134-M138 VanDerWaalsContact O-CB 3.27Å; F134-M138 WeakPolarHBondContact O-CB 3.36Å; F134-M138 VanDerWaalsContact O-CG 3.29Å; F134-M138 WeakPolarHBondContact O-CG 3.3Å; F134-M138 PolarHBondContact O-N 3.46Å; M138-S180 VanDerWaalsContact CE-OG 3.25Å; M138-S180 WeakPolarHBondContact CE-OG 3.37Å
139G92.5Very high94.5Very high23 Ų2362.4 Ų62.424%0.23730%0.298CS..  trans96.7126.5179.100000111.6T135 I137 D141 K142 S143T135-G139 CarbonylContact O-C 3.5Å; T135-G139 VanDerWaalsContact O-CA 3.32Å; T135-G139 WeakPolarHBondContact O-CA 3.5Å; T135-G139 PolarHBondContact O-N 3.19Å; I137-G139 VanDerWaalsContact C-N 3.26Å; I137-G139 PolarHBondContact O-N 2.95Å; G139-D141 VanDerWaalsContact C-N 3.32Å; G139-D141 PolarHBondContact O-N 2.96Å; G139-K142 CarbonylContact O-C 3.37Å; G139-K142 PolarHBondContact O-N 3.5Å; G139-S143 WeakPolarHBondContact O-CB 3.36Å; G139-S143 PolarHBondContact O-N 3.38Å; G139-S143 PolarHBondContact O-OG 3.49Å
140R87.3Confident94.2Very high201 Ų20161 Ų6176%0.75829%0.293SS*.G310 helixtrans-55-42.9-176.8-71.1177.8178.2-168.8-0.5113.2T135 K142T135-R140 HydrophobicContact CG2-CB 4.23Å; T135-R140 HydrophobicContact CG2-CG 3.68Å; T135-R140 PolarHBondContact O-N 3.17Å; R140-K142 VanDerWaalsContact C-N 3.28Å; R140-K142 PolarHBondContact O-N 2.98Å
141D85.4Confident93.9Very high167 Ų16761 Ų6189%0.89329%0.294SS*.G310 helixtrans-82.5-4.9-178.8-49.1-45.8000113.7G139G139-D141 VanDerWaalsContact C-N 3.32Å; G139-D141 PolarHBondContact O-N 2.96Å
142K88.6Confident93.5Very high163 Ų16361 Ų6171%0.70929%0.293SS*.G310 helixtrans-118.7-2.5-174.1-64.5-178-178.7176.70113.3G139 R140G139-K142 CarbonylContact O-C 3.37Å; G139-K142 PolarHBondContact O-N 3.5Å; R140-K142 VanDerWaalsContact C-N 3.28Å; R140-K142 PolarHBondContact O-N 2.98Å
143S93.9Very high93.1Very high16 Ų1660 Ų6011%0.11229%0.285CS..  trans-119.5140.9179.552.50000109.9G139 S180G139-S143 WeakPolarHBondContact O-CB 3.36Å; G139-S143 PolarHBondContact O-N 3.38Å; G139-S143 PolarHBondContact O-OG 3.49Å; S143-S180 WeakPolarHBondContact CA-O 3.41Å
144A97Very high92.4Very high13 Ų1362.8 Ų62.811%0.10730%0.3CS..EExtended strand (participates in β ladder)trans-105.9136.817200000109.1L174 N178 S180 V181 C182A144-L174 HydrophobicContact CB-CD1 3.68Å; A144-L174 HydrophobicContact CB-CG 4.18Å; A144-N178 HydrophobicContact CB-CB 3.93Å; A144-S180 PolarHBondContact N-O 3.28Å; A144-V181 HydrophobicContact CB-CG2 4.41Å; A144-V181 CarbonylContact O-C 3.54Å; A144-V181 VanDerWaalsContact O-CA 3.3Å; A144-V181 WeakPolarHBondContact O-CA 3.47Å; A144-C182 PolarHBondContact O-N 2.88Å
145T97Very high91.5Very high64 Ų6467.5 Ų67.539%0.39332%0.321SS..EExtended strand (participates in β ladder)trans-123.2148.4179.958.90000110.5M131 T135 C182M131-T145 HydrophobicContact CG-CG2 3.85Å; M131-T145 HydrophobicContact SD-CG2 4.05Å; T135-T145 WeakPolarHBondContact OG1-CG2 3.5Å; T145-C182 VanDerWaalsContact CA-O 3.28Å; T145-C182 WeakPolarHBondContact CA-O 3.07Å; T145-C182 HydrophobicContact CG2-CB 4.29Å
146Y96.4Very high90.3Very high54 Ų5467 Ų6721%0.21232%0.319CS..EExtended strand (participates in β ladder)trans-149.1129.3174.1-178.5-115.1000110.9W148 H170 V171 L174 C182 I183 M184Y146-W148 HydrophobicContact CD1-CB 3.84Å; Y146-W148 HydrophobicContact CD1-CG 4.46Å; Y146-W148 HydrophobicContact CE1-CB 3.51Å; Y146-W148 AromaticContact CE1-CD1 3.92Å; Y146-W148 AromaticContact CE1-CG 3.75Å; Y146-W148 HydrophobicContact CE1-CG 3.75Å; Y146-H170 AromaticContact CD2-CD2 3.61Å; Y146-H170 AromaticContact CD2-NE2 3.6Å; Y146-H170 AromaticContact CE2-CD2 3.45Å; Y146-H170 VanDerWaalsContact CE2-CD2 3.45Å; Y146-H170 WeakPolarHBondContact CE2-CD2 3.38Å; Y146-H170 AromaticContact CE2-NE2 3.74Å; Y146-H170 AromaticContact CG-CD2 3.99Å; Y146-H170 AromaticContact CZ-CD2 3.68Å; Y146-V171 HydrophobicContact CD1-CG2 3.74Å; Y146-V171 HydrophobicContact CE1-CG2 3.67Å; Y146-L174 VanDerWaalsContact CB-CD2 3.44Å; Y146-L174 HydrophobicContact CG-CD2 4.35Å; Y146-C182 PolarHBondContact N-O 3.39Å; Y146-I183 WeakPolarHBondContact O-CA 3.4Å; Y146-M184 PolarHBondContact O-N 3.12Å
147V95.4Very high89.2Confident69 Ų6968.7 Ų68.742%0.41834%0.34SS..EExtended strand (participates in β ladder)trans-96.894.9172.3-175.10000107.7N123 M131 R149 M184N123-V147 HydrophobicContact CB-CG1 4.15Å; M131-V147 HydrophobicContact CE-CG2 3.95Å; M131-V147 HydrophobicContact SD-CG2 4.16Å; V147-R149 PolarHBondContact O-N 3.35Å; V147-M184 HydrophobicContact CG1-CB 4.3Å; V147-M184 HydrophobicContact CG2-CB 4.44Å; V147-M184 HydrophobicContact CG2-SD 3.93Å
148W93.3Very high88.3Confident1 Ų172.1 Ų72.10%0.00438%0.379CS..  trans-77.2121.5174.1-164.210.4000108.9N123 Y146 N150 N151 F152 S167 M168 V171 I183 M184 Q185 T196N123-W148 PolarHBondContact ND2-O 3.26Å; Y146-W148 HydrophobicContact CD1-CB 3.84Å; Y146-W148 HydrophobicContact CD1-CG 4.46Å; Y146-W148 HydrophobicContact CE1-CB 3.51Å; Y146-W148 AromaticContact CE1-CD1 3.92Å; Y146-W148 AromaticContact CE1-CG 3.75Å; Y146-W148 HydrophobicContact CE1-CG 3.75Å; W148-N150 PolarHBondContact O-N 3.29Å; W148-N151 WeakPolarHBondContact CH2-O 3.36Å; W148-N151 VanDerWaalsContact CZ2-O 3.32Å; W148-N151 WeakPolarHBondContact CZ2-O 3.46Å; W148-F152 HydrophobicContact CH2-CB 4.27Å; W148-F152 HydrophobicContact CH2-CD1 4.21Å; W148-F152 AromaticContact CH2-CD2 3.59Å; W148-F152 HydrophobicContact CH2-CD2 3.59Å; W148-F152 HydrophobicContact CH2-CE1 4.48Å; W148-F152 AromaticContact CH2-CE2 3.89Å; W148-F152 HydrophobicContact CH2-CE2 3.89Å; W148-F152 AromaticContact CH2-CG 3.76Å; W148-F152 HydrophobicContact CH2-CG 3.76Å; W148-F152 HydrophobicContact CH2-CZ 4.33Å; W148-F152 AromaticContact CZ3-CD2 3.56Å; W148-F152 HydrophobicContact CZ3-CD2 3.56Å; W148-F152 AromaticContact CZ3-CE2 3.78Å; W148-F152 HydrophobicContact CZ3-CE2 3.78Å; W148-F152 HydrophobicContact CZ3-CG 4.2Å; W148-S167 VanDerWaalsContact NE1-CB 3.3Å; W148-M168 HydrophobicContact CH2-CG 3.85Å; W148-M168 HydrophobicContact CZ2-CG 3.7Å; W148-V171 HydrophobicContact CD2-CG2 3.95Å; W148-V171 HydrophobicContact CE3-CG2 3.83Å; W148-V171 HydrophobicContact CG-CG2 4.36Å; W148-V171 HydrophobicContact CZ3-CG2 4.19Å; W148-I183 HydrophobicContact CB-CG2 4.42Å; W148-M184 WeakPolarHBondContact CA-O 3.39Å; W148-M184 VanDerWaalsContact CB-O 3.31Å; W148-M184 WeakPolarHBondContact CB-O 3.3Å; W148-M184 PolarHBondContact N-O 3.14Å; W148-Q185 HydrophobicContact CB-CB 4.42Å; W148-Q185 HydrophobicContact CE3-CB 4.36Å; W148-Q185 WeakPolarHBondContact O-CA 3.43Å; W148-T196 HydrophobicContact CZ3-CG2 4.23Å
149R87.9Confident87.7Confident208 Ų20872.8 Ų72.879%0.78538%0.382SS*.SBendtrans-62.2-26.6179.7-69.2-176.4178-176.9-0.4112.8N123 V147N123-R149 VanDerWaalsContact ND2-C 3.26Å; N123-R149 WeakPolarHBondContact ND2-CA 3.45Å; N123-R149 PolarHBondContact ND2-O 2.74Å; V147-R149 PolarHBondContact O-N 3.35Å
150N89.4Confident87.5Confident12 Ų1275.7 Ų75.76%0.06440%0.395CS..SBendtrans-127.2-154-172.3-59.8-51.8000110.3W148 D154 G156 E159 Q185 K186W148-N150 PolarHBondContact O-N 3.29Å; N150-D154 WeakPolarHBondContact CB-O 3.27Å; N150-G156 VanDerWaalsContact CG-CA 3.46Å; N150-G156 WeakPolarHBondContact ND2-CA 3.2Å; N150-G156 PolarHBondContact ND2-N 2.71Å; N150-G156 WeakPolarHBondContact OD1-CA 3.49Å; N150-G156 PolarHBondContact OD1-N 2.75Å; N150-G156 VanDerWaalsContact OD1-N 3.12Å; N150-E159 PolarHBondContact ND2-OE1 3.43Å; N150-E159 PolarHBondContact ND2-OE2 2.84Å; N150-Q185 WeakPolarHBondContact O-CB 3.3Å; N150-K186 PolarHBondContact O-N 3.23Å
151N91.8Very high87.4Confident1 Ų170.8 Ų70.81%0.00538%0.384CS..  trans-145-168.8171.561.337.4000109.3W148 H153 D154 H164 Q185 K186 E192W148-N151 WeakPolarHBondContact CH2-O 3.36Å; W148-N151 VanDerWaalsContact CZ2-O 3.32Å; W148-N151 WeakPolarHBondContact CZ2-O 3.46Å; N151-H153 VanDerWaalsContact C-N 3.32Å; N151-H153 PolarHBondContact O-N 3.32Å; N151-H153 PolarHBondContact OD1-N 2.68Å; N151-D154 WeakPolarHBondContact OD1-CB 3.25Å; N151-D154 PolarHBondContact OD1-N 3.39Å; N151-H164 PolarHBondContact O-NE2 2.91Å; N151-Q185 HydrophobicContact CB-CB 4.41Å; N151-K186 PolarHBondContact ND2-O 2.9Å; N151-E192 HydrophobicContact CB-CG 3.99Å; N151-E192 WeakPolarHBondContact CB-OE1 3.5Å; N151-E192 VanDerWaalsContact CG-OE1 3.32Å; N151-E192 PolarHBondContact OD1-OE1 3.4Å
152F89.1Confident87.6Confident24 Ų2469.5 Ų69.511%0.10537%0.372CS..SBendtrans-69-30.7-176.4-90.5-82.9000113W148 H164 M168 E192 Y195 T196 K199W148-F152 HydrophobicContact CH2-CB 4.27Å; W148-F152 HydrophobicContact CH2-CD1 4.21Å; W148-F152 AromaticContact CH2-CD2 3.59Å; W148-F152 HydrophobicContact CH2-CD2 3.59Å; W148-F152 HydrophobicContact CH2-CE1 4.48Å; W148-F152 AromaticContact CH2-CE2 3.89Å; W148-F152 HydrophobicContact CH2-CE2 3.89Å; W148-F152 AromaticContact CH2-CG 3.76Å; W148-F152 HydrophobicContact CH2-CG 3.76Å; W148-F152 HydrophobicContact CH2-CZ 4.33Å; W148-F152 AromaticContact CZ3-CD2 3.56Å; W148-F152 HydrophobicContact CZ3-CD2 3.56Å; W148-F152 AromaticContact CZ3-CE2 3.78Å; W148-F152 HydrophobicContact CZ3-CE2 3.78Å; W148-F152 HydrophobicContact CZ3-CG 4.2Å; F152-H164 PolarHBondContact O-CE1 3.42Å; F152-M168 HydrophobicContact CD1-CG 3.86Å; F152-M168 HydrophobicContact CD1-SD 3.59Å; F152-M168 VanDerWaalsContact CD1-SD 3.59Å; F152-M168 HydrophobicContact CE1-CB 4.07Å; F152-M168 HydrophobicContact CE1-CG 3.85Å; F152-M168 HydrophobicContact CE1-SD 3.95Å; F152-E192 PolarHBondContact N-OE1 3.45Å; F152-Y195 HydrophobicContact CB-CD1 3.96Å; F152-Y195 HydrophobicContact CB-CE1 3.64Å; F152-Y195 HydrophobicContact CD1-CE1 4.19Å; F152-Y195 HydrophobicContact CD2-CD1 4.14Å; F152-Y195 HydrophobicContact CD2-CE1 4.24Å; F152-Y195 HydrophobicContact CG-CD1 4.09Å; F152-Y195 AromaticContact CG-CE1 3.77Å; F152-Y195 HydrophobicContact CG-CE1 3.77Å; F152-T196 HydrophobicContact CD2-CG2 4.17Å; F152-T196 WeakPolarHBondContact CD2-OG1 3.36Å; F152-T196 HydrophobicContact CE2-CG2 3.86Å; F152-K199 HydrophobicContact CE1-CB 4.12Å; F152-K199 HydrophobicContact CE2-CB 4.09Å; F152-K199 HydrophobicContact CZ-CB 3.77Å
153H88.5Confident87.6Confident68 Ų6864 Ų6432%0.31535%0.354SS..SBendtrans-108-19.9-169.4-60.599.4000114.5N151 E192 Y195 Y300N151-H153 VanDerWaalsContact C-N 3.32Å; N151-H153 PolarHBondContact O-N 3.32Å; N151-H153 PolarHBondContact OD1-N 2.68Å; H153-E192 IonicContact CE1-OE2 3.39Å; H153-E192 IonicContact CG-OE1 3.93Å; H153-E192 IonicContact CG-OE2 3.1Å; H153-E192 IonicContact ND1-OE1 2.66Å; H153-E192 PolarHBondContact ND1-OE1 3.02Å; H153-E192 IonicContact ND1-OE2 3.39Å; H153-E192 PolarHBondContact ND1-OE2 3.01Å; H153-Y195 AromaticContact CE1-CD1 3.3Å; H153-Y195 WeakPolarHBondContact CE1-CD1 3.15Å; H153-Y195 AromaticContact CE1-CE1 3.07Å; H153-Y195 WeakPolarHBondContact CE1-CE1 3.4Å; H153-Y195 AromaticContact CE1-CE2 3.91Å; H153-Y195 AromaticContact CE1-CG 3.81Å; H153-Y195 AromaticContact CE1-CZ 3.41Å; H153-Y195 VanDerWaalsContact CE1-CZ 3.41Å; H153-Y195 AromaticContact ND1-CE1 3.99Å; H153-Y195 AromaticContact NE2-CE1 3.56Å; H153-Y195 AromaticContact NE2-CZ 3.48Å; H153-Y300 AromaticContact CD2-CE1 3.55Å; H153-Y300 AromaticContact CE1-CD1 3.47Å; H153-Y300 VanDerWaalsContact CE1-CD1 3.47Å; H153-Y300 WeakPolarHBondContact CE1-CD1 3.41Å; H153-Y300 AromaticContact CE1-CD2 3.72Å; H153-Y300 AromaticContact CE1-CE1 3.2Å; H153-Y300 WeakPolarHBondContact CE1-CE1 3.39Å; H153-Y300 AromaticContact CE1-CE2 3.44Å; H153-Y300 VanDerWaalsContact CE1-CE2 3.44Å; H153-Y300 WeakPolarHBondContact CE1-CE2 3.33Å; H153-Y300 AromaticContact CE1-CG 3.74Å; H153-Y300 AromaticContact CE1-CZ 3.17Å; H153-Y300 AromaticContact CG-CE1 3.65Å; H153-Y300 AromaticContact CG-CZ 3.63Å; H153-Y300 AromaticContact ND1-CE1 3.49Å; H153-Y300 WeakPolarHBondContact ND1-CE1 3.45Å; H153-Y300 AromaticContact ND1-CE2 3.6Å; H153-Y300 AromaticContact ND1-CZ 3.13Å; H153-Y300 PolarHBondContact ND1-OH 2.94Å; H153-Y300 VanDerWaalsContact ND1-OH 3.14Å; H153-Y300 AromaticContact NE2-CD1 3.41Å; H153-Y300 WeakPolarHBondContact NE2-CD1 3.29Å; H153-Y300 AromaticContact NE2-CE1 3.27Å; H153-Y300 VanDerWaalsContact NE2-CE1 3.27Å; H153-Y300 WeakPolarHBondContact NE2-CE1 3.38Å; H153-Y300 AromaticContact NE2-CZ 3.76Å
154D83.3Confident87.3Confident68 Ų6863.9 Ų63.936%0.36435%0.352SS..  trans-108.7131175.5-77.4-15.1000110.8N150 N151 K186N150-D154 WeakPolarHBondContact CB-O 3.27Å; N151-D154 WeakPolarHBondContact OD1-CB 3.25Å; N151-D154 PolarHBondContact OD1-N 3.39Å; D154-K186 HydrophobicContact CB-CD 4.15Å; D154-K186 IonicContact OD2-NZ 3.09Å; D154-K186 PolarHBondContact OD2-NZ 3.26Å
155K80.1Confident86.9Confident100 Ų10070.2 Ų70.244%0.43537%0.373SS..  trans-86.1150.2167.1-64.4176.1-174.8169.30110.7E159 D161 H164K155-E159 WeakPolarHBondContact CA-OE2 3.49Å; K155-D161 WeakPolarHBondContact CE-OD1 3.44Å; K155-D161 IonicContact NZ-OD1 2.71Å; K155-D161 PolarHBondContact NZ-OD1 3.44Å; K155-D161 IonicContact NZ-OD2 3.45Å; K155-D161 PolarHBondContact NZ-OD2 3.2Å; K155-D161 VanDerWaalsContact NZ-OD2 3.1Å; K155-H164 HydrophobicContact CG-CB 4.49Å
156G71.6Confident86.6Confident11 Ų1172.6 Ų72.611%0.11338%0.38CS..  trans-75.3157.2173.600000112.9N150 G158 E159N150-G156 VanDerWaalsContact CG-CA 3.46Å; N150-G156 WeakPolarHBondContact ND2-CA 3.2Å; N150-G156 PolarHBondContact ND2-N 2.71Å; N150-G156 WeakPolarHBondContact OD1-CA 3.49Å; N150-G156 PolarHBondContact OD1-N 2.75Å; N150-G156 VanDerWaalsContact OD1-N 3.12Å; G156-G158 PolarHBondContact O-N 3.3Å; G156-G158 VanDerWaalsContact O-N 3.08Å; G156-E159 PolarHBondContact N-OE2 2.91Å; G156-E159 WeakPolarHBondContact O-CB 3.11Å; G156-E159 PolarHBondContact O-N 2.98Å
157P73.4Confident86.4Confident146 Ų14670.9 Ų70.995%0.94838%0.376SS*.THydrogen-bonded Turntrans-57.2115.7170.7-20.631.9000110.6E159P157-E159 VanDerWaalsContact C-N 3.34Å
158G77.4Confident86.2Confident85 Ų8569.8 Ų69.888%0.87637%0.366SS*.THydrogen-bonded Turntrans80.35.1-178.900000115.7G156G156-G158 PolarHBondContact O-N 3.3Å; G156-G158 VanDerWaalsContact O-N 3.08Å
159E82.6Confident86.2Confident35 Ų3575.3 Ų75.316%0.16439%0.392CS..  trans-76.3126.6173.2-170.5-179.5-136.700110.3N150 K155 G156 P157 H164N150-E159 PolarHBondContact ND2-OE1 3.43Å; N150-E159 PolarHBondContact ND2-OE2 2.84Å; K155-E159 WeakPolarHBondContact CA-OE2 3.49Å; G156-E159 PolarHBondContact N-OE2 2.91Å; G156-E159 WeakPolarHBondContact O-CB 3.11Å; G156-E159 PolarHBondContact O-N 2.98Å; P157-E159 VanDerWaalsContact C-N 3.34Å; E159-H164 HydrophobicContact CG-CB 4.07Å; E159-H164 IonicContact OE1-CD2 3.83Å; E159-H164 IonicContact OE2-CD2 2.61Å; E159-H164 PolarHBondContact OE2-CD2 3.18Å; E159-H164 IonicContact OE2-CG 2.67Å
160T87.8Confident86.5Confident84 Ų8469.2 Ų69.252%0.51537%0.373SS..  trans-79.2157.617564.60000110.9E162 S163 H164T160-E162 PolarHBondContact O-N 3.03Å; T160-S163 PolarHBondContact O-N 3.41Å; T160-S163 WeakPolarHBondContact OG1-CB 3.39Å; T160-S163 PolarHBondContact OG1-N 3.16Å; T160-H164 PolarHBondContact O-N 3.09Å
161D86.5Confident86.8Confident98 Ų9868.6 Ų68.652%0.52437%0.37SS..Hα-helixtrans-57.3-31.2176.7-71.126.8000113K155 R165K155-D161 WeakPolarHBondContact CE-OD1 3.44Å; K155-D161 IonicContact NZ-OD1 2.71Å; K155-D161 PolarHBondContact NZ-OD1 3.44Å; K155-D161 IonicContact NZ-OD2 3.45Å; K155-D161 PolarHBondContact NZ-OD2 3.2Å; K155-D161 VanDerWaalsContact NZ-OD2 3.1Å; D161-R165 WeakPolarHBondContact O-CB 3.44Å; D161-R165 PolarHBondContact O-N 3.16Å; D161-R165 VanDerWaalsContact O-N 3.16Å
162E88.3Confident87Confident140 Ų14070.1 Ų70.165%0.65438%0.38SS*.Hα-helixtrans-71.5-49.8176.8-170.9166-153.500111.3T160 H164 R165 E166T160-E162 PolarHBondContact O-N 3.03Å; E162-H164 VanDerWaalsContact C-N 3.32Å; E162-H164 PolarHBondContact O-N 3.17Å; E162-R165 WeakPolarHBondContact O-CB 3.2Å; E162-R165 PolarHBondContact O-N 3.45Å; E162-R165 VanDerWaalsContact O-N 3.1Å; E162-E166 WeakPolarHBondContact O-CG 3.5Å; E162-E166 PolarHBondContact O-N 2.85Å
163S88.2Confident87.3Confident47 Ų4775.1 Ų75.133%0.32940%0.404SS..Hα-helixtrans-63.6-36.4178.1-175.90000112.7T160 E166 S167T160-S163 PolarHBondContact O-N 3.41Å; T160-S163 WeakPolarHBondContact OG1-CB 3.39Å; T160-S163 PolarHBondContact OG1-N 3.16Å; S163-E166 PolarHBondContact O-N 2.92Å; S163-S167 PolarHBondContact O-N 2.78Å; S163-S167 PolarHBondContact O-OG 3.1Å
164H88.5Confident87.7Confident13 Ų1373 Ų736%0.0639%0.394CS..Hα-helixtrans-63.6-42.7173.3-175.5-113.4000111.2N151 F152 K155 E159 T160 E162 S167 M168N151-H164 PolarHBondContact O-NE2 2.91Å; F152-H164 PolarHBondContact O-CE1 3.42Å; K155-H164 HydrophobicContact CG-CB 4.49Å; E159-H164 HydrophobicContact CG-CB 4.07Å; E159-H164 IonicContact OE1-CD2 3.83Å; E159-H164 IonicContact OE2-CD2 2.61Å; E159-H164 PolarHBondContact OE2-CD2 3.18Å; E159-H164 IonicContact OE2-CG 2.67Å; T160-H164 PolarHBondContact O-N 3.09Å; E162-H164 VanDerWaalsContact C-N 3.32Å; E162-H164 PolarHBondContact O-N 3.17Å; H164-S167 PolarHBondContact O-N 3.16Å; H164-M168 VanDerWaalsContact ND1-CE 3.29Å; H164-M168 WeakPolarHBondContact ND1-CE 3.36Å; H164-M168 WeakPolarHBondContact O-CG 3.2Å; H164-M168 PolarHBondContact O-N 3.27Å
165R89.3Confident88.4Confident147 Ų14769.7 Ų69.756%0.55538%0.377SS*.Hα-helixtrans-65.2-41.4176.7-169.4-177.8-60.1165.33.7112.8D161 E162 S167 M168 Q169D161-R165 WeakPolarHBondContact O-CB 3.44Å; D161-R165 PolarHBondContact O-N 3.16Å; D161-R165 VanDerWaalsContact O-N 3.16Å; E162-R165 WeakPolarHBondContact O-CB 3.2Å; E162-R165 PolarHBondContact O-N 3.45Å; E162-R165 VanDerWaalsContact O-N 3.1Å; R165-S167 VanDerWaalsContact C-N 3.31Å; R165-S167 PolarHBondContact O-N 2.7Å; R165-M168 HydrophobicContact CB-CE 4.21Å; R165-M168 PolarHBondContact O-N 2.88Å; R165-Q169 WeakPolarHBondContact O-CB 3.45Å; R165-Q169 WeakPolarHBondContact O-CG 3.3Å; R165-Q169 PolarHBondContact O-N 3.44Å
166E90.8Very high89.2Confident114 Ų11469.1 Ų69.153%0.53338%0.378SS..Hα-helixtrans-59.5-43.6173.4-72.3177.9167.200111.3E162 S163 Q169 H170E162-E166 WeakPolarHBondContact O-CG 3.5Å; E162-E166 PolarHBondContact O-N 2.85Å; S163-E166 PolarHBondContact O-N 2.92Å; E166-Q169 PolarHBondContact O-N 2.91Å; E166-H170 WeakPolarHBondContact O-CB 3.5Å; E166-H170 PolarHBondContact O-N 2.87Å
167S90.7Very high90.3Very high18 Ų1872.7 Ų72.713%0.12640%0.401CS..Hα-helixtrans-64.6-42.2177.6-57.90000112.2W148 S163 H164 R165 Q169 H170 V171W148-S167 VanDerWaalsContact NE1-CB 3.3Å; S163-S167 PolarHBondContact O-N 2.78Å; S163-S167 PolarHBondContact O-OG 3.1Å; H164-S167 PolarHBondContact O-N 3.16Å; R165-S167 VanDerWaalsContact C-N 3.31Å; R165-S167 PolarHBondContact O-N 2.7Å; S167-Q169 VanDerWaalsContact C-N 3.34Å; S167-Q169 PolarHBondContact O-N 2.98Å; S167-H170 WeakPolarHBondContact O-CB 3.44Å; S167-H170 PolarHBondContact O-N 3.34Å; S167-V171 WeakPolarHBondContact O-CG2 3.21Å; S167-V171 PolarHBondContact O-N 3.24Å
168M91.7Very high91.5Very high45 Ų4568.4 Ų68.422%0.22237%0.37CS..Hα-helixtrans-60.9-41.6174.1-72.6-173.5-75.100112.3W148 F152 H164 R165 S172W148-M168 HydrophobicContact CH2-CG 3.85Å; W148-M168 HydrophobicContact CZ2-CG 3.7Å; F152-M168 HydrophobicContact CD1-CG 3.86Å; F152-M168 HydrophobicContact CD1-SD 3.59Å; F152-M168 VanDerWaalsContact CD1-SD 3.59Å; F152-M168 HydrophobicContact CE1-CB 4.07Å; F152-M168 HydrophobicContact CE1-CG 3.85Å; F152-M168 HydrophobicContact CE1-SD 3.95Å; H164-M168 VanDerWaalsContact ND1-CE 3.29Å; H164-M168 WeakPolarHBondContact ND1-CE 3.36Å; H164-M168 WeakPolarHBondContact O-CG 3.2Å; H164-M168 PolarHBondContact O-N 3.27Å; R165-M168 HydrophobicContact CB-CE 4.21Å; R165-M168 PolarHBondContact O-N 2.88Å; M168-S172 PolarHBondContact O-N 3Å; M168-S172 VanDerWaalsContact O-N 3.11Å; M168-S172 PolarHBondContact O-OG 2.95Å
169Q93Very high92.3Very high117 Ų11770.3 Ų70.355%0.54735%0.354SS..Hα-helixtrans-66.4-41.1175.7-73.5175.8-600111.3R165 E166 S167 S172 Q173R165-Q169 WeakPolarHBondContact O-CB 3.45Å; R165-Q169 WeakPolarHBondContact O-CG 3.3Å; R165-Q169 PolarHBondContact O-N 3.44Å; E166-Q169 PolarHBondContact O-N 2.91Å; S167-Q169 VanDerWaalsContact C-N 3.34Å; S167-Q169 PolarHBondContact O-N 2.98Å; Q169-S172 PolarHBondContact O-N 3.29Å; Q169-Q173 WeakPolarHBondContact O-CB 3.36Å; Q169-Q173 PolarHBondContact O-N 2.94Å
170H94.6Very high93Very high80 Ų8069.4 Ų69.437%0.3735%0.352SS..Hα-helixtrans-60.3-47.4176.4-174.575.4000111.6Y146 E166 S167 S172 Q173 L174Y146-H170 AromaticContact CD2-CD2 3.61Å; Y146-H170 AromaticContact CD2-NE2 3.6Å; Y146-H170 AromaticContact CE2-CD2 3.45Å; Y146-H170 VanDerWaalsContact CE2-CD2 3.45Å; Y146-H170 WeakPolarHBondContact CE2-CD2 3.38Å; Y146-H170 AromaticContact CE2-NE2 3.74Å; Y146-H170 AromaticContact CG-CD2 3.99Å; Y146-H170 AromaticContact CZ-CD2 3.68Å; E166-H170 WeakPolarHBondContact O-CB 3.5Å; E166-H170 PolarHBondContact O-N 2.87Å; S167-H170 WeakPolarHBondContact O-CB 3.44Å; S167-H170 PolarHBondContact O-N 3.34Å; H170-S172 VanDerWaalsContact C-N 3.32Å; H170-S172 PolarHBondContact O-N 3.08Å; H170-Q173 PolarHBondContact O-N 3.44Å; H170-L174 VanDerWaalsContact O-CB 3.26Å; H170-L174 WeakPolarHBondContact O-CB 3.29Å; H170-L174 PolarHBondContact O-N 3Å
171V95.5Very high93.5Very high0 Ų065.4 Ų65.40%033%0.327CS..Hα-helixtrans-57.4-46.1175.5169.40000111.1Y146 W148 S167 L174 V175 I183 T196 A200Y146-V171 HydrophobicContact CD1-CG2 3.74Å; Y146-V171 HydrophobicContact CE1-CG2 3.67Å; W148-V171 HydrophobicContact CD2-CG2 3.95Å; W148-V171 HydrophobicContact CE3-CG2 3.83Å; W148-V171 HydrophobicContact CG-CG2 4.36Å; W148-V171 HydrophobicContact CZ3-CG2 4.19Å; S167-V171 WeakPolarHBondContact O-CG2 3.21Å; S167-V171 PolarHBondContact O-N 3.24Å; V171-L174 PolarHBondContact O-N 2.98Å; V171-V175 WeakPolarHBondContact O-CG2 3.15Å; V171-V175 PolarHBondContact O-N 3.37Å; V171-I183 HydrophobicContact CG1-CD1 3.79Å; V171-T196 HydrophobicContact CG1-CG2 4.27Å; V171-A200 HydrophobicContact CG1-CB 3.93Å
172S95.9Very high94.1Very high32 Ų3260.7 Ų60.722%0.22430%0.302CS..Hα-helixtrans-62.5-46.9178.1-56.10000111.3M168 Q169 H170 L174 V175 L176M168-S172 PolarHBondContact O-N 3Å; M168-S172 VanDerWaalsContact O-N 3.11Å; M168-S172 PolarHBondContact O-OG 2.95Å; Q169-S172 PolarHBondContact O-N 3.29Å; H170-S172 VanDerWaalsContact C-N 3.32Å; H170-S172 PolarHBondContact O-N 3.08Å; S172-L174 PolarHBondContact O-N 2.85Å; S172-V175 PolarHBondContact O-N 3.33Å; S172-L176 WeakPolarHBondContact O-CB 3.5Å; S172-L176 WeakPolarHBondContact O-CG 3.26Å; S172-L176 PolarHBondContact O-N 2.98Å
173Q96.6Very high94.5Very high129 Ų12954 Ų5460%0.60327%0.271SS*.Hα-helixtrans-64.8-39.3179.4-171174.83.900112.2Q169 H170 L176 S177Q169-Q173 WeakPolarHBondContact O-CB 3.36Å; Q169-Q173 PolarHBondContact O-N 2.94Å; H170-Q173 PolarHBondContact O-N 3.44Å; Q173-L176 PolarHBondContact O-N 3.28Å; Q173-S177 VanDerWaalsContact O-CB 3.24Å; Q173-S177 WeakPolarHBondContact O-CB 3.45Å; Q173-S177 PolarHBondContact O-N 3.46Å; Q173-S177 PolarHBondContact O-OG 2.99Å
174L96.6Very high95Very high23 Ų2351.9 Ų51.912%0.1226%0.256CS..Hα-helixtrans-59.3-49.6175.2-170.773.2000110.8A144 Y146 H170 V171 S172 N178 V181 I183A144-L174 HydrophobicContact CB-CD1 3.68Å; A144-L174 HydrophobicContact CB-CG 4.18Å; Y146-L174 VanDerWaalsContact CB-CD2 3.44Å; Y146-L174 HydrophobicContact CG-CD2 4.35Å; H170-L174 VanDerWaalsContact O-CB 3.26Å; H170-L174 WeakPolarHBondContact O-CB 3.29Å; H170-L174 PolarHBondContact O-N 3Å; V171-L174 PolarHBondContact O-N 2.98Å; S172-L174 PolarHBondContact O-N 2.85Å; L174-N178 WeakPolarHBondContact O-CB 3.42Å; L174-N178 PolarHBondContact O-N 3.03Å; L174-N178 PolarHBondContact O-ND2 2.93Å; L174-V181 HydrophobicContact CD2-CG1 3.74Å; L174-V181 HydrophobicContact CG-CG1 3.98Å; L174-I183 HydrophobicContact CD2-CG1 4.48Å
175V97.2Very high95.3Very high0 Ų051.2 Ų51.20%025%0.253CS..Hα-helixtrans-63.9-41.9178.3169.50000111.5K115 V117 V171 S172 V181 I183 A200 L201K115-V175 PolarHBondContact NZ-O 3.1Å; V117-V175 HydrophobicContact CG1-CG2 4.14Å; V117-V175 HydrophobicContact CG2-CG1 3.91Å; V171-V175 WeakPolarHBondContact O-CG2 3.15Å; V171-V175 PolarHBondContact O-N 3.37Å; S172-V175 PolarHBondContact O-N 3.33Å; V175-V181 HydrophobicContact CG2-CB 4.49Å; V175-V181 HydrophobicContact CG2-CG1 4.07Å; V175-I183 HydrophobicContact CG2-CD1 3.79Å; V175-A200 HydrophobicContact CB-CB 3.9Å; V175-A200 HydrophobicContact CG1-CB 4.14Å; V175-A200 HydrophobicContact CG2-CB 3.71Å; V175-L201 HydrophobicContact CG1-CD2 3.7Å; V175-L201 HydrophobicContact CG1-CG 3.98Å
176L96.5Very high95.5Very high88 Ų8847.8 Ų47.846%0.46124%0.242SC..Hα-helixtrans-68.3-41.8-179.9-69.1173.1000112.2K115 S172 Q173 S204K115-L176 PolarHBondContact NZ-O 3.38Å; S172-L176 WeakPolarHBondContact O-CB 3.5Å; S172-L176 WeakPolarHBondContact O-CG 3.26Å; S172-L176 PolarHBondContact O-N 2.98Å; Q173-L176 PolarHBondContact O-N 3.28Å; L176-S204 WeakPolarHBondContact CD2-OG 3.44Å
177S96.3Very high95.6Very high85 Ų8549.8 Ų49.859%0.59425%0.245SC*.Hα-helixtrans-80-20-171.9-51.50000114.2Q173Q173-S177 VanDerWaalsContact O-CB 3.24Å; Q173-S177 WeakPolarHBondContact O-CB 3.45Å; Q173-S177 PolarHBondContact O-N 3.46Å; Q173-S177 PolarHBondContact O-OG 2.99Å
178N96.8Very high95.4Very high56 Ų5650.7 Ų50.730%0.29926%0.257SS..  trans-118.5152.8-172.3-65.4-79.9000112.5K115 A144 L174 V181K115-N178 PolarHBondContact NZ-O 2.73Å; A144-N178 HydrophobicContact CB-CB 3.93Å; L174-N178 WeakPolarHBondContact O-CB 3.42Å; L174-N178 PolarHBondContact O-N 3.03Å; L174-N178 PolarHBondContact O-ND2 2.93Å; N178-V181 HydrophobicContact CB-CG2 3.58Å
179K95.1Very high95.3Very high125 Ų12549.4 Ų49.454%0.54326%0.255SS..SBendtrans-86.2-32.2-179.4-140.8-177.1-172177.20113K115 V116K115-K179 CarbonylContact C-O 3.56Å; K115-K179 WeakPolarHBondContact CA-O 3.32Å; K115-K179 WeakPolarHBondContact CG-O 3.36Å; V116-K179 PolarHBondContact N-O 3.37Å
180S97.6Very high95.2Very high16 Ų1646.4 Ų46.411%0.11224%0.24CC..EExtended strand (participates in β ladder)trans-128.7116.2-179.8-54.10000108.4V116 M138 S143 A144V116-S180 CarbonylContact O-C 3.21Å; V116-S180 WeakPolarHBondContact O-CA 3.5Å; M138-S180 VanDerWaalsContact CE-OG 3.25Å; M138-S180 WeakPolarHBondContact CE-OG 3.37Å; S143-S180 WeakPolarHBondContact CA-O 3.41Å; A144-S180 PolarHBondContact N-O 3.28Å
181V98.3Very high95.1Very high0 Ų043.2 Ų43.20%023%0.225CC..EExtended strand (participates in β ladder)trans-130134.9-174.6-177.70000110.4V116 V117 M118 F134 A144 L174 V175 N178 I183V116-V181 PolarHBondContact O-N 3.01Å; V117-V181 CarbonylContact C-O 3.59Å; V117-V181 WeakPolarHBondContact CA-O 3.3Å; M118-V181 PolarHBondContact N-O 3.41Å; F134-V181 WeakPolarHBondContact CZ-O 2.91Å; A144-V181 HydrophobicContact CB-CG2 4.41Å; A144-V181 CarbonylContact O-C 3.54Å; A144-V181 VanDerWaalsContact O-CA 3.3Å; A144-V181 WeakPolarHBondContact O-CA 3.47Å; L174-V181 HydrophobicContact CD2-CG1 3.74Å; L174-V181 HydrophobicContact CG-CG1 3.98Å; V175-V181 HydrophobicContact CG2-CB 4.49Å; V175-V181 HydrophobicContact CG2-CG1 4.07Å; N178-V181 HydrophobicContact CB-CG2 3.58Å; V181-I183 HydrophobicContact CG1-CD1 4.05Å; V181-I183 HydrophobicContact CG1-CG1 3.94Å
182C98.3Very high95Very high0 Ų043.4 Ų43.40%023%0.226CC..EExtended strand (participates in β ladder)trans-121.8122.4170.5177.40000110.3M118 I120 F134 A144 T145 Y146M118-C182 HydrophobicContact CE-CB 4.34Å; M118-C182 WeakPolarHBondContact CE-SG 3.41Å; M118-C182 CarbonylContact O-C 3.58Å; M118-C182 VanDerWaalsContact O-CA 3.29Å; M118-C182 WeakPolarHBondContact O-CA 3.23Å; I120-C182 VanDerWaalsContact CD1-SG 3.56Å; F134-C182 HydrophobicContact CB-CB 4.31Å; F134-C182 HydrophobicContact CD1-CB 3.37Å; F134-C182 HydrophobicContact CD2-CB 4.27Å; F134-C182 HydrophobicContact CE1-CB 3.58Å; F134-C182 HydrophobicContact CE2-CB 4.45Å; F134-C182 HydrophobicContact CG-CB 3.73Å; F134-C182 HydrophobicContact CZ-CB 4.12Å; A144-C182 PolarHBondContact O-N 2.88Å; T145-C182 VanDerWaalsContact CA-O 3.28Å; T145-C182 WeakPolarHBondContact CA-O 3.07Å; T145-C182 HydrophobicContact CG2-CB 4.29Å; Y146-C182 PolarHBondContact N-O 3.39Å
183I98.1Very high94.9Very high0 Ų042 Ų420%022%0.216CC..EExtended strand (participates in β ladder)trans-115.4126.6179.3-63.3150.9000108.4V117 M118 V119 I120 Y146 W148 V171 L174 V175 V181V117-I183 HydrophobicContact CG1-CD1 4.49Å; M118-I183 PolarHBondContact O-N 3.42Å; V119-I183 CarbonylContact C-O 3.06Å; V119-I183 WeakPolarHBondContact CA-O 3.35Å; V119-I183 HydrophobicContact CG1-CB 4.43Å; V119-I183 HydrophobicContact CG2-CB 4.47Å; V119-I183 HydrophobicContact CG2-CD1 4.42Å; I120-I183 PolarHBondContact N-O 2.95Å; Y146-I183 WeakPolarHBondContact O-CA 3.4Å; W148-I183 HydrophobicContact CB-CG2 4.42Å; V171-I183 HydrophobicContact CG1-CD1 3.79Å; L174-I183 HydrophobicContact CD2-CG1 4.48Å; V175-I183 HydrophobicContact CG2-CD1 3.79Å; V181-I183 HydrophobicContact CG1-CD1 4.05Å; V181-I183 HydrophobicContact CG1-CG1 3.94Å
184M97.4Very high94.9Very high1 Ų136.2 Ų36.21%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-95.3139.9163.4-64.1173.575.600108.4I120 N123 D127 V128 M131 Y146 V147 W148I120-M184 HydrophobicContact CB-CG 4.13Å; I120-M184 HydrophobicContact CD1-CG 3.67Å; I120-M184 HydrophobicContact CG1-CG 4.45Å; N123-M184 HydrophobicContact CB-CB 4.16Å; D127-M184 HydrophobicContact CB-CE 3.7Å; V128-M184 HydrophobicContact CB-CE 4.47Å; V128-M184 HydrophobicContact CG2-CE 3.89Å; M131-M184 HydrophobicContact CB-CG 4.32Å; M131-M184 HydrophobicContact CB-SD 3.86Å; M131-M184 HydrophobicContact CE-SD 3.74Å; M131-M184 HydrophobicContact CG-SD 4.39Å; M131-M184 HydrophobicContact SD-CG 4.11Å; M131-M184 HydrophobicContact SD-SD 3.66Å; M131-M184 VanDerWaalsContact SD-SD 3.66Å; Y146-M184 PolarHBondContact O-N 3.12Å; V147-M184 HydrophobicContact CG1-CB 4.3Å; V147-M184 HydrophobicContact CG2-CB 4.44Å; V147-M184 HydrophobicContact CG2-SD 3.93Å; W148-M184 WeakPolarHBondContact CA-O 3.39Å; W148-M184 VanDerWaalsContact CB-O 3.31Å; W148-M184 WeakPolarHBondContact CB-O 3.3Å; W148-M184 PolarHBondContact N-O 3.14Å
185Q95.7Very high94.9Very high0 Ų035.6 Ų35.60%019%0.185CC..  trans-143169.5-179.761.3169.557.500111.9V119 I120 G122 N123 W148 N150 N151 V193 T196V119-Q185 HydrophobicContact CG1-CG 4Å; I120-Q185 WeakPolarHBondContact O-CG 3.38Å; I120-Q185 PolarHBondContact O-N 3.13Å; I120-Q185 VanDerWaalsContact O-N 3.16Å; G122-Q185 CarbonylContact C-O 3.55Å; G122-Q185 WeakPolarHBondContact CA-O 3.47Å; G122-Q185 PolarHBondContact N-O 3.32Å; N123-Q185 PolarHBondContact N-O 2.95Å; W148-Q185 HydrophobicContact CB-CB 4.42Å; W148-Q185 HydrophobicContact CE3-CB 4.36Å; W148-Q185 WeakPolarHBondContact O-CA 3.43Å; N150-Q185 WeakPolarHBondContact O-CB 3.3Å; N151-Q185 HydrophobicContact CB-CB 4.41Å; Q185-V193 HydrophobicContact CG-CG1 4.16Å; Q185-T196 VanDerWaalsContact OE1-CB 3.27Å; Q185-T196 PolarHBondContact OE1-OG1 3.11Å
186K93.6Very high94.8Very high75 Ų7535.6 Ų35.633%0.32619%0.185SC..  trans-61.7137.4173.6-175.9-172.5177.6-1580110.6N123 N150 N151 D154 G188N123-K186 PolarHBondContact ND2-N 3.34Å; N150-K186 PolarHBondContact O-N 3.23Å; N151-K186 PolarHBondContact ND2-O 2.9Å; D154-K186 HydrophobicContact CB-CD 4.15Å; D154-K186 IonicContact OD2-NZ 3.09Å; D154-K186 PolarHBondContact OD2-NZ 3.26Å; K186-G188 PolarHBondContact O-N 3.28Å
187W91.3Very high94.9Very high156 Ų15631.5 Ų31.559%0.59116%0.164SC*.  trans-55.1122.1178.9-175.882.2000111.9Y92 D121Y92-W187 AromaticContact CE2-CD1 3.44Å; Y92-W187 VanDerWaalsContact CE2-CD1 3.44Å; Y92-W187 AromaticContact CE2-NE1 3.82Å; Y92-W187 AromaticContact CZ-CD1 3.72Å; Y92-W187 AromaticContact CZ-NE1 3.64Å; D121-W187 VanDerWaalsContact O-CD1 3.27Å; D121-W187 WeakPolarHBondContact OD1-CA 3.46Å
188G88.3Confident94.9Very high37 Ų3727.5 Ų27.538%0.38114%0.136SC..  trans-143.10.8178.600000113.7D121 K186D121-G188 PolarHBondContact OD1-N 3.18Å; K186-G188 PolarHBondContact O-N 3.28Å
189G89.4Confident94.9Very high17 Ų1728.3 Ų28.318%0.17514%0.136CC..  trans93.3169.4-178.300000113.2D121 R191 E192 V193D121-G189 PolarHBondContact OD1-N 2.81Å; D121-G189 VanDerWaalsContact OD1-N 3.12Å; D121-G189 WeakPolarHBondContact OD2-CA 3.3Å; D121-G189 PolarHBondContact OD2-N 2.96Å; G189-R191 PolarHBondContact O-N 2.91Å; G189-R191 VanDerWaalsContact O-N 3.1Å; G189-E192 WeakPolarHBondContact O-CB 3.09Å; G189-E192 PolarHBondContact O-N 2.96Å; G189-V193 PolarHBondContact O-N 2.86Å
190K90.3Very high95Very high54 Ų5422.4 Ų22.424%0.23511%0.111CC..Hα-helixtrans-51.8-38.5-178.9-171.9-178-176.6-175.20112.8A90 V193 M194 D212 D314A90-K190 HydrophobicContact CB-CG 4.35Å; K190-V193 WeakPolarHBondContact O-CG2 3.24Å; K190-M194 HydrophobicContact CD-SD 4.29Å; K190-M194 HydrophobicContact CG-CG 4.45Å; K190-M194 HydrophobicContact CG-SD 3.96Å; K190-M194 WeakPolarHBondContact O-CB 3.48Å; K190-M194 VanDerWaalsContact O-CG 3.32Å; K190-M194 WeakPolarHBondContact O-CG 3.46Å; K190-M194 PolarHBondContact O-N 2.88Å; K190-M194 VanDerWaalsContact O-N 3.13Å; K190-D212 WeakPolarHBondContact CE-OD1 3.21Å; K190-D212 IonicContact NZ-OD1 3.36Å; K190-D212 PolarHBondContact NZ-OD1 2.9Å; K190-D212 IonicContact NZ-OD2 3.88Å; K190-D314 IonicContact NZ-OD1 3.64Å; K190-D314 PolarHBondContact NZ-OD1 3.27Å; K190-D314 IonicContact NZ-OD2 2.74Å
191R91.8Very high95Very high14 Ų1421.7 Ų21.75%0.05311%0.106CC..Hα-helixtrans-64-41.8-179.8-165.1167.5-63.8-162.6-2.3112.6G189 M194 Y195 W299 Y300 Q302 D313G189-R191 PolarHBondContact O-N 2.91Å; G189-R191 VanDerWaalsContact O-N 3.1Å; R191-M194 PolarHBondContact O-N 3.2Å; R191-Y195 VanDerWaalsContact O-CB 3.3Å; R191-Y195 WeakPolarHBondContact O-CB 3.28Å; R191-Y195 PolarHBondContact O-N 3.17Å; R191-W299 HydrophobicContact CG-CE3 4.49Å; R191-W299 HydrophobicContact CG-CH2 3.62Å; R191-W299 HydrophobicContact CG-CZ2 3.85Å; R191-W299 HydrophobicContact CG-CZ3 3.98Å; R191-W299 PolarHBondContact NH1-O 3.4Å; R191-W299 VanDerWaalsContact NH1-O 3.15Å; R191-Y300 WeakPolarHBondContact CD-O 3.31Å; R191-Y300 HydrophobicContact CG-CD2 3.92Å; R191-Y300 HydrophobicContact CG-CE2 4.34Å; R191-Q302 VanDerWaalsContact NH2-OE1 3.15Å; R191-D313 WeakPolarHBondContact CB-OD1 3.37Å; R191-D313 IonicContact CZ-OD1 3Å; R191-D313 VanDerWaalsContact CZ-OD1 3.26Å; R191-D313 IonicContact NE-OD1 3.88Å; R191-D313 PolarHBondContact NE-OD1 3.5Å; R191-D313 IonicContact NH2-OD1 2.99Å; R191-D313 PolarHBondContact NH2-OD1 2.77Å
192E93.5Very high94.8Very high3 Ų322.8 Ų22.81%0.01412%0.118CC..Hα-helixtrans-63.2-48.1179.3-172.567.9-157.200110.9N151 F152 H153 G189 M194 Y195 T196 Y300N151-E192 HydrophobicContact CB-CG 3.99Å; N151-E192 WeakPolarHBondContact CB-OE1 3.5Å; N151-E192 VanDerWaalsContact CG-OE1 3.32Å; N151-E192 PolarHBondContact OD1-OE1 3.4Å; F152-E192 PolarHBondContact N-OE1 3.45Å; H153-E192 IonicContact CE1-OE2 3.39Å; H153-E192 IonicContact CG-OE1 3.93Å; H153-E192 IonicContact CG-OE2 3.1Å; H153-E192 IonicContact ND1-OE1 2.66Å; H153-E192 PolarHBondContact ND1-OE1 3.02Å; H153-E192 IonicContact ND1-OE2 3.39Å; H153-E192 PolarHBondContact ND1-OE2 3.01Å; G189-E192 WeakPolarHBondContact O-CB 3.09Å; G189-E192 PolarHBondContact O-N 2.96Å; E192-M194 VanDerWaalsContact C-N 3.34Å; E192-M194 PolarHBondContact O-N 3.27Å; E192-Y195 WeakPolarHBondContact O-CB 3.31Å; E192-Y195 PolarHBondContact O-N 2.63Å; E192-T196 PolarHBondContact O-N 3.38Å; E192-T196 PolarHBondContact O-OG1 2.9Å; E192-Y300 WeakPolarHBondContact OE2-CE2 3.3Å; E192-Y300 PolarHBondContact OE2-OH 3.46Å
193V94.8Very high94.7Very high2 Ų231.3 Ų31.31%0.01215%0.149CC..Hα-helixtrans-66.4-36.2-179.2-66.10000113A90 V119 D121 Q185 G189 K190 A197A90-V193 HydrophobicContact CB-CG2 3.69Å; V119-V193 HydrophobicContact CB-CB 3.91Å; V119-V193 HydrophobicContact CB-CG1 4.38Å; V119-V193 HydrophobicContact CG1-CB 3.68Å; V119-V193 HydrophobicContact CG1-CG1 3.73Å; D121-V193 VanDerWaalsContact CA-CG1 3.47Å; D121-V193 HydrophobicContact CB-CG1 3.45Å; D121-V193 VanDerWaalsContact CB-CG1 3.45Å; Q185-V193 HydrophobicContact CG-CG1 4.16Å; G189-V193 PolarHBondContact O-N 2.86Å; K190-V193 WeakPolarHBondContact O-CG2 3.24Å; V193-A197 PolarHBondContact O-N 2.88Å
194M95.9Very high94.6Very high8 Ų833.7 Ų33.74%0.03917%0.166CC..Hα-helixtrans-66.6-42.7172.8-74.6178.570.300111.3A90 K190 R191 E192 T196 A197 F198 V210 W299 D313 L317A90-M194 HydrophobicContact CB-CG 4.33Å; K190-M194 HydrophobicContact CD-SD 4.29Å; K190-M194 HydrophobicContact CG-CG 4.45Å; K190-M194 HydrophobicContact CG-SD 3.96Å; K190-M194 WeakPolarHBondContact O-CB 3.48Å; K190-M194 VanDerWaalsContact O-CG 3.32Å; K190-M194 WeakPolarHBondContact O-CG 3.46Å; K190-M194 PolarHBondContact O-N 2.88Å; K190-M194 VanDerWaalsContact O-N 3.13Å; R191-M194 PolarHBondContact O-N 3.2Å; E192-M194 VanDerWaalsContact C-N 3.34Å; E192-M194 PolarHBondContact O-N 3.27Å; M194-T196 PolarHBondContact O-N 3.5Å; M194-A197 PolarHBondContact O-N 3.24Å; M194-F198 HydrophobicContact CB-CE2 4.28Å; M194-F198 HydrophobicContact CB-CZ 4.3Å; M194-F198 HydrophobicContact CE-CE2 4.15Å; M194-F198 HydrophobicContact CE-CZ 3.72Å; M194-F198 WeakPolarHBondContact O-CD1 3.21Å; M194-F198 WeakPolarHBondContact O-CD2 3.49Å; M194-F198 WeakPolarHBondContact O-CG 3.4Å; M194-F198 PolarHBondContact O-N 2.86Å; M194-V210 HydrophobicContact CE-CB 4.41Å; M194-V210 HydrophobicContact CE-CG1 3.88Å; M194-W299 HydrophobicContact CB-CH2 3.7Å; M194-W299 HydrophobicContact CB-CZ2 4.44Å; M194-W299 HydrophobicContact CE-CH2 4.46Å; M194-W299 HydrophobicContact CE-CZ2 4.18Å; M194-W299 HydrophobicContact SD-CZ2 4.43Å; M194-D313 HydrophobicContact SD-CB 4.27Å; M194-L317 HydrophobicContact CE-CD2 4.25Å
195Y96.1Very high94.6Very high11 Ų1134.3 Ų34.34%0.04317%0.17CC..Hα-helixtrans-59.1-46.5175.5179.4-90.3000111.5F152 H153 R191 E192 A197 F198 K199 V296 E297 W299 Y300F152-Y195 HydrophobicContact CB-CD1 3.96Å; F152-Y195 HydrophobicContact CB-CE1 3.64Å; F152-Y195 HydrophobicContact CD1-CE1 4.19Å; F152-Y195 HydrophobicContact CD2-CD1 4.14Å; F152-Y195 HydrophobicContact CD2-CE1 4.24Å; F152-Y195 HydrophobicContact CG-CD1 4.09Å; F152-Y195 AromaticContact CG-CE1 3.77Å; F152-Y195 HydrophobicContact CG-CE1 3.77Å; H153-Y195 AromaticContact CE1-CD1 3.3Å; H153-Y195 WeakPolarHBondContact CE1-CD1 3.15Å; H153-Y195 AromaticContact CE1-CE1 3.07Å; H153-Y195 WeakPolarHBondContact CE1-CE1 3.4Å; H153-Y195 AromaticContact CE1-CE2 3.91Å; H153-Y195 AromaticContact CE1-CG 3.81Å; H153-Y195 AromaticContact CE1-CZ 3.41Å; H153-Y195 VanDerWaalsContact CE1-CZ 3.41Å; H153-Y195 AromaticContact ND1-CE1 3.99Å; H153-Y195 AromaticContact NE2-CE1 3.56Å; H153-Y195 AromaticContact NE2-CZ 3.48Å; R191-Y195 VanDerWaalsContact O-CB 3.3Å; R191-Y195 WeakPolarHBondContact O-CB 3.28Å; R191-Y195 PolarHBondContact O-N 3.17Å; E192-Y195 WeakPolarHBondContact O-CB 3.31Å; E192-Y195 PolarHBondContact O-N 2.63Å; Y195-A197 VanDerWaalsContact C-N 3.29Å; Y195-A197 PolarHBondContact O-N 2.89Å; Y195-F198 PolarHBondContact O-N 3.03Å; Y195-F198 VanDerWaalsContact O-N 3.13Å; Y195-K199 HydrophobicContact CD1-CG 3.73Å; Y195-K199 HydrophobicContact CD2-CG 4.17Å; Y195-K199 HydrophobicContact CE1-CB 4.42Å; Y195-K199 HydrophobicContact CE1-CD 4.08Å; Y195-K199 HydrophobicContact CE1-CG 3.34Å; Y195-K199 HydrophobicContact CE2-CD 3.96Å; Y195-K199 HydrophobicContact CE2-CG 3.86Å; Y195-K199 HydrophobicContact CG-CG 4.15Å; Y195-K199 VanDerWaalsContact CZ-CG 3.43Å; Y195-K199 WeakPolarHBondContact O-CB 3.28Å; Y195-K199 WeakPolarHBondContact O-CG 3.29Å; Y195-K199 PolarHBondContact O-N 3.02Å; Y195-V296 HydrophobicContact CD2-CG2 3.86Å; Y195-V296 HydrophobicContact CE2-CG2 4.11Å; Y195-E297 PolarHBondContact OH-OE1 3.18Å; Y195-E297 PolarHBondContact OH-OE2 2.99Å; Y195-W299 HydrophobicContact CD2-CZ3 4.5Å; Y195-Y300 AromaticContact CD2-CD2 3.7Å; Y195-Y300 HydrophobicContact CD2-CD2 3.7Å; Y195-Y300 AromaticContact CD2-CG 3.73Å; Y195-Y300 HydrophobicContact CD2-CG 3.73Å; Y195-Y300 HydrophobicContact CE2-CD2 4.4Å; Y195-Y300 HydrophobicContact CE2-CG 4.04Å; Y195-Y300 AromaticContact CG-CD2 3.75Å; Y195-Y300 HydrophobicContact CG-CD2 3.75Å; Y195-Y300 HydrophobicContact CG-CE2 4.35Å; Y195-Y300 HydrophobicContact CG-CG 4.22Å
196T96.8Very high94.7Very high0 Ų037.1 Ų37.10%019%0.185CC..Hα-helixtrans-52.4-49175.6-65.70000111.4V119 W148 F152 V171 Q185 E192 M194 A200V119-T196 HydrophobicContact CG1-CG2 4.11Å; V119-T196 HydrophobicContact CG2-CG2 4.26Å; W148-T196 HydrophobicContact CZ3-CG2 4.23Å; F152-T196 HydrophobicContact CD2-CG2 4.17Å; F152-T196 WeakPolarHBondContact CD2-OG1 3.36Å; F152-T196 HydrophobicContact CE2-CG2 3.86Å; V171-T196 HydrophobicContact CG1-CG2 4.27Å; Q185-T196 VanDerWaalsContact OE1-CB 3.27Å; Q185-T196 PolarHBondContact OE1-OG1 3.11Å; E192-T196 PolarHBondContact O-N 3.38Å; E192-T196 PolarHBondContact O-OG1 2.9Å; M194-T196 PolarHBondContact O-N 3.5Å; T196-A200 WeakPolarHBondContact O-CB 3.36Å; T196-A200 PolarHBondContact O-N 3.06Å
197A97.2Very high94.9Very high2 Ų233.8 Ų33.82%0.01717%0.17CC..Hα-helixtrans-63.4-45.2178.800000112.1C88 V117 V119 V193 M194 Y195 L201C88-A197 HydrophobicContact CB-CB 4.04Å; V117-A197 HydrophobicContact CG1-CB 4.18Å; V119-A197 HydrophobicContact CG2-CB 4.04Å; V193-A197 PolarHBondContact O-N 2.88Å; M194-A197 PolarHBondContact O-N 3.24Å; Y195-A197 VanDerWaalsContact C-N 3.29Å; Y195-A197 PolarHBondContact O-N 2.89Å; A197-L201 WeakPolarHBondContact O-CB 3.36Å; A197-L201 WeakPolarHBondContact O-CD1 3.32Å; A197-L201 VanDerWaalsContact O-CG 3.23Å; A197-L201 WeakPolarHBondContact O-CG 3.28Å; A197-L201 PolarHBondContact O-N 3.46Å
198F97.3Very high95.2Very high1 Ų126.3 Ų26.30%0.00414%0.142CC..Hα-helixtrans-64.5-43.2-179.2-61.8-15.4000112.5M194 Y195 G202 V208 V210 L292 H293 V296 W299 L317M194-F198 HydrophobicContact CB-CE2 4.28Å; M194-F198 HydrophobicContact CB-CZ 4.3Å; M194-F198 HydrophobicContact CE-CE2 4.15Å; M194-F198 HydrophobicContact CE-CZ 3.72Å; M194-F198 WeakPolarHBondContact O-CD1 3.21Å; M194-F198 WeakPolarHBondContact O-CD2 3.49Å; M194-F198 WeakPolarHBondContact O-CG 3.4Å; M194-F198 PolarHBondContact O-N 2.86Å; Y195-F198 PolarHBondContact O-N 3.03Å; Y195-F198 VanDerWaalsContact O-N 3.13Å; F198-G202 PolarHBondContact O-N 2.91Å; F198-V208 HydrophobicContact CD1-CG1 3.86Å; F198-V208 HydrophobicContact CE1-CG1 3.55Å; F198-V210 HydrophobicContact CE1-CG1 3.9Å; F198-V210 HydrophobicContact CZ-CG1 3.77Å; F198-L292 HydrophobicContact CE2-CD2 4.47Å; F198-H293 PolarHBondContact O-CE1 3Å; F198-V296 HydrophobicContact CB-CG2 4.14Å; F198-V296 HydrophobicContact CD2-CG2 4.16Å; F198-W299 HydrophobicContact CD2-CH2 4.4Å; F198-W299 HydrophobicContact CD2-CZ3 4.08Å; F198-W299 AromaticContact CE2-CH2 3.99Å; F198-W299 HydrophobicContact CE2-CH2 3.99Å; F198-W299 HydrophobicContact CE2-CZ2 4.44Å; F198-W299 HydrophobicContact CE2-CZ3 4.08Å; F198-L317 HydrophobicContact CE2-CD1 4.16Å; F198-L317 HydrophobicContact CE2-CD2 4.39Å; F198-L317 HydrophobicContact CZ-CD2 4.3Å
199K96.6Very high95.7Very high72 Ų7224.6 Ų24.631%0.31312%0.124SC..Hα-helixtrans-67.4-46.1177.5-69.5-66.6-68.6-1620112F152 Y195 L201 G202 V296 E297F152-K199 HydrophobicContact CE1-CB 4.12Å; F152-K199 HydrophobicContact CE2-CB 4.09Å; F152-K199 HydrophobicContact CZ-CB 3.77Å; Y195-K199 HydrophobicContact CD1-CG 3.73Å; Y195-K199 HydrophobicContact CD2-CG 4.17Å; Y195-K199 HydrophobicContact CE1-CB 4.42Å; Y195-K199 HydrophobicContact CE1-CD 4.08Å; Y195-K199 HydrophobicContact CE1-CG 3.34Å; Y195-K199 HydrophobicContact CE2-CD 3.96Å; Y195-K199 HydrophobicContact CE2-CG 3.86Å; Y195-K199 HydrophobicContact CG-CG 4.15Å; Y195-K199 VanDerWaalsContact CZ-CG 3.43Å; Y195-K199 WeakPolarHBondContact O-CB 3.28Å; Y195-K199 WeakPolarHBondContact O-CG 3.29Å; Y195-K199 PolarHBondContact O-N 3.02Å; K199-L201 VanDerWaalsContact C-N 3.3Å; K199-L201 PolarHBondContact O-N 3.26Å; K199-G202 PolarHBondContact O-N 3.35Å; K199-G202 VanDerWaalsContact O-N 3.08Å; K199-V296 HydrophobicContact CD-CG1 4.38Å; K199-E297 IonicContact NZ-OE1 2.75Å; K199-E297 PolarHBondContact NZ-OE1 3.19Å
200A96.8Very high96.1Very high2 Ų224 Ų242%0.01712%0.118CC..Hα-helixtrans-65.2-34.3-17900000112.5V171 V175 T196 G202V171-A200 HydrophobicContact CG1-CB 3.93Å; V175-A200 HydrophobicContact CB-CB 3.9Å; V175-A200 HydrophobicContact CG1-CB 4.14Å; V175-A200 HydrophobicContact CG2-CB 3.71Å; T196-A200 WeakPolarHBondContact O-CB 3.36Å; T196-A200 PolarHBondContact O-N 3.06Å; A200-G202 VanDerWaalsContact C-N 3.33Å
201L96.9Very high96.4Very high1 Ų121.6 Ų21.61%0.00511%0.107CC..Hα-helixtrans-67.8-32.7172.8-76.1167.6000112.3A86 C88 K115 V117 V175 A197 K199 S204 V208A86-L201 HydrophobicContact CB-CD1 3.53Å; A86-L201 HydrophobicContact CB-CD2 3.64Å; A86-L201 HydrophobicContact CB-CG 4.26Å; C88-L201 VanDerWaalsContact SG-CD1 3.54Å; K115-L201 HydrophobicContact CD-CD2 3.73Å; V117-L201 HydrophobicContact CG2-CD2 4.22Å; V175-L201 HydrophobicContact CG1-CD2 3.7Å; V175-L201 HydrophobicContact CG1-CG 3.98Å; A197-L201 WeakPolarHBondContact O-CB 3.36Å; A197-L201 WeakPolarHBondContact O-CD1 3.32Å; A197-L201 VanDerWaalsContact O-CG 3.23Å; A197-L201 WeakPolarHBondContact O-CG 3.28Å; A197-L201 PolarHBondContact O-N 3.46Å; K199-L201 VanDerWaalsContact C-N 3.3Å; K199-L201 PolarHBondContact O-N 3.26Å; L201-S204 WeakPolarHBondContact O-CB 3.23Å; L201-S204 PolarHBondContact O-N 2.89Å; L201-S204 VanDerWaalsContact O-N 3.12Å; L201-S204 PolarHBondContact O-OG 3.31Å; L201-V208 HydrophobicContact CD1-CG2 4.23Å
202G95.1Very high96.6Very high23 Ų2322.6 Ų22.624%0.23711%0.113CC..THydrogen-bonded Turntrans50.1-145-172.800000111F198 K199 A200 S204 N289 H293F198-G202 PolarHBondContact O-N 2.91Å; K199-G202 PolarHBondContact O-N 3.35Å; K199-G202 VanDerWaalsContact O-N 3.08Å; A200-G202 VanDerWaalsContact C-N 3.33Å; G202-S204 VanDerWaalsContact C-N 3.25Å; G202-S204 PolarHBondContact O-N 3.06Å; G202-N289 PolarHBondContact O-ND2 3.1Å; G202-H293 VanDerWaalsContact C-CE1 3.49Å; G202-H293 VanDerWaalsContact CA-CE1 3.47Å; G202-H293 WeakPolarHBondContact CA-CE1 3.31Å; G202-H293 PolarHBondContact O-NE2 2.92Å
203R95.4Very high96.7Very high178 Ų17822.8 Ų22.867%0.67212%0.115SC*.THydrogen-bonded Turntrans-87.421.6176.2-66.8-178171.7146.5-5.7113.9V205 E294R203-V205 VanDerWaalsContact C-N 3.28Å; R203-V205 PolarHBondContact O-N 3.42Å; R203-E294 IonicContact NH2-OE1 3.85Å; R203-E294 PolarHBondContact NH2-OE1 2.97Å; R203-E294 VanDerWaalsContact NH2-OE1 3.14Å
204S96.1Very high96.6Very high51 Ų5122.8 Ų22.836%0.35712%0.115SC..SBendtrans-73.3-15.5-17466.50000115.1L176 L201 G202L176-S204 WeakPolarHBondContact CD2-OG 3.44Å; L201-S204 WeakPolarHBondContact O-CB 3.23Å; L201-S204 PolarHBondContact O-N 2.89Å; L201-S204 VanDerWaalsContact O-N 3.12Å; L201-S204 PolarHBondContact O-OG 3.31Å; G202-S204 VanDerWaalsContact C-N 3.25Å; G202-S204 PolarHBondContact O-N 3.06Å
205V97.6Very high96.6Very high13 Ų1322.4 Ų22.48%0.07911%0.113CC..  trans-126.2155.7178.6-62.20000111.9T84 A86 R203 Y207 V208 N289T84-V205 VanDerWaalsContact OG1-CA 3.25Å; T84-V205 WeakPolarHBondContact OG1-CA 3.31Å; A86-V205 HydrophobicContact CB-CB 4.49Å; A86-V205 HydrophobicContact CB-CG1 4.09Å; A86-V205 HydrophobicContact CB-CG2 3.94Å; R203-V205 VanDerWaalsContact C-N 3.28Å; R203-V205 PolarHBondContact O-N 3.42Å; V205-Y207 WeakPolarHBondContact CG2-O 3.46Å; V205-V208 HydrophobicContact CG2-CG2 3.96Å; V205-N289 HydrophobicContact CG2-CB 4.37Å; V205-N289 WeakPolarHBondContact O-CB 3.41Å; V205-N289 PolarHBondContact O-ND2 2.99Å
206D97.6Very high96.7Very high60 Ų6022.9 Ų22.932%0.32112%0.116SC..SBendtrans-74.1-40.5173.9-62.9-81000111.2K83 T84 N289K83-D206 WeakPolarHBondContact CA-OD2 3.4Å; K83-D206 HydrophobicContact CB-CB 4.23Å; K83-D206 HydrophobicContact CD-CB 4.15Å; K83-D206 IonicContact NZ-OD1 2.94Å; T84-D206 PolarHBondContact N-OD2 2.85Å; T84-D206 WeakPolarHBondContact O-CB 3.27Å; T84-D206 PolarHBondContact O-N 3.5Å; T84-D206 PolarHBondContact OG1-N 3.05Å; T84-D206 PolarHBondContact OG1-OD2 3.06Å; D206-N289 VanDerWaalsContact O-CB 3.32Å; D206-N289 WeakPolarHBondContact O-CB 3.29Å; D206-N289 PolarHBondContact O-N 3.4Å
207Y98.3Very high96.7Very high4 Ų422.9 Ų22.92%0.01612%0.116CC..EExtended strand (participates in β ladder)trans-131.4141.7-172.7-61.5-60.6000112.9K83 T84 V85 A86 V205 V226 L229 E230 M286 Y287 R288K83-Y207 HydrophobicContact CB-CD2 3.9Å; K83-Y207 HydrophobicContact CB-CE2 3.72Å; K83-Y207 HydrophobicContact CD-CE2 4.34Å; K83-Y207 HydrophobicContact CG-CD2 4.5Å; K83-Y207 HydrophobicContact CG-CE2 3.81Å; T84-Y207 PolarHBondContact O-N 3.24Å; T84-Y207 VanDerWaalsContact O-N 3.08Å; V85-Y207 WeakPolarHBondContact CA-O 3.25Å; V85-Y207 HydrophobicContact CG2-CD2 4.34Å; A86-Y207 PolarHBondContact N-O 3.46Å; V205-Y207 WeakPolarHBondContact CG2-O 3.46Å; Y207-V226 HydrophobicContact CD2-CG2 4.07Å; Y207-V226 HydrophobicContact CE2-CG1 4.19Å; Y207-L229 HydrophobicContact CD1-CD1 3.43Å; Y207-L229 VanDerWaalsContact CD1-CD1 3.43Å; Y207-L229 HydrophobicContact CE1-CB 3.72Å; Y207-L229 HydrophobicContact CE1-CD1 3.45Å; Y207-L229 VanDerWaalsContact CE1-CD1 3.45Å; Y207-L229 HydrophobicContact CE1-CG 4.14Å; Y207-L229 HydrophobicContact CG-CD1 4.19Å; Y207-E230 PolarHBondContact OH-OE1 2.93Å; Y207-M286 HydrophobicContact CG-SD 4.3Å; Y207-Y287 WeakPolarHBondContact CA-O 3.41Å; Y207-R288 HydrophobicContact CD1-CG 4.31Å; Y207-R288 HydrophobicContact CE1-CG 3.78Å; Y207-R288 PolarHBondContact OH-NH1 3.26Å
208V98.5Very high96.6Very high0 Ų023.1 Ų23.10%012%0.117CC..EExtended strand (participates in β ladder)trans-117118.1172.6-179.90000108.9A86 F198 L201 V205 M286 Y287 N289 L292A86-V208 CarbonylContact O-C 3.6Å; A86-V208 WeakPolarHBondContact O-CA 3.32Å; F198-V208 HydrophobicContact CD1-CG1 3.86Å; F198-V208 HydrophobicContact CE1-CG1 3.55Å; L201-V208 HydrophobicContact CD1-CG2 4.23Å; V205-V208 HydrophobicContact CG2-CG2 3.96Å; V208-M286 CarbonylContact O-C 3.57Å; V208-M286 WeakPolarHBondContact O-CA 3.36Å; V208-Y287 PolarHBondContact N-O 3.14Å; V208-Y287 PolarHBondContact O-N 3.21Å; V208-N289 HydrophobicContact CG2-CB 3.99Å; V208-N289 WeakPolarHBondContact CG2-OD1 3.37Å; V208-L292 HydrophobicContact CB-CD1 3.61Å; V208-L292 HydrophobicContact CG1-CD1 4.19Å; V208-L292 HydrophobicContact CG2-CD1 3.83Å
209Q98.6Very high96.5Very high0 Ų024.5 Ų24.50%013%0.126CC..EExtended strand (participates in β ladder)trans-94.9135.2170.3-176175.4-27.300109.4A86 L87 C88 S222 M225 G285 M286A86-Q209 PolarHBondContact O-N 3.13Å; L87-Q209 CarbonylContact C-O 3.59Å; L87-Q209 WeakPolarHBondContact CA-O 3.46Å; L87-Q209 HydrophobicContact CD1-CB 3.95Å; L87-Q209 HydrophobicContact CD1-CG 3.61Å; C88-Q209 PolarHBondContact N-O 3.22Å; Q209-S222 PolarHBondContact OE1-OG 2.93Å; Q209-M225 HydrophobicContact CG-CE 3.84Å; Q209-G285 CarbonylContact C-O 3.19Å; Q209-G285 VanDerWaalsContact CA-O 3.24Å; Q209-G285 WeakPolarHBondContact CA-O 3.23Å; Q209-G285 WeakPolarHBondContact CG-O 3.37Å; Q209-M286 HydrophobicContact CB-CB 4.45Å; Q209-M286 HydrophobicContact CB-CE 3.89Å; Q209-M286 HydrophobicContact CB-CG 4.43Å; Q209-M286 HydrophobicContact CG-CE 4.31Å
210V97.7Very high96.3Very high6 Ų622.6 Ų22.64%0.03612%0.124CC..EExtended strand (participates in β ladder)trans-107.8144.2174.8-61.80000110C88 M194 F198 G282 G285 Y287C88-V210 WeakPolarHBondContact O-CA 3.4Å; M194-V210 HydrophobicContact CE-CB 4.41Å; M194-V210 HydrophobicContact CE-CG1 3.88Å; F198-V210 HydrophobicContact CE1-CG1 3.9Å; F198-V210 HydrophobicContact CZ-CG1 3.77Å; V210-G282 CarbonylContact C-O 3.59Å; V210-G285 PolarHBondContact N-O 2.82Å; V210-G285 PolarHBondContact O-N 2.89Å; V210-Y287 HydrophobicContact CG2-CE2 4.1Å
211C96.6Very high96.2Very high2 Ų222.5 Ų22.51%0.01412%0.123CC..EExtended strand (participates in β ladder)trans-147.5141178.8-174.20000110.3L87 C88 I89 A90 G282L87-C211 HydrophobicContact CD1-CB 3.82Å; C88-C211 PolarHBondContact O-N 2.93Å; I89-C211 WeakPolarHBondContact CA-O 3.38Å; I89-C211 HydrophobicContact CG1-CB 4.39Å; A90-C211 PolarHBondContact N-O 3.46Å; C211-G282 WeakPolarHBondContact CA-O 3.39Å
212D95.4Very high96.2Very high35 Ų3522.5 Ų22.519%0.18712%0.123CC..EExtended strand (participates in β ladder)trans-80.8148.2169.7-67.9-14000109.5K190 D214 T215 P283K190-D212 WeakPolarHBondContact CE-OD1 3.21Å; K190-D212 IonicContact NZ-OD1 3.36Å; K190-D212 PolarHBondContact NZ-OD1 2.9Å; K190-D212 IonicContact NZ-OD2 3.88Å; D212-D214 VanDerWaalsContact CB-OD1 3.31Å; D212-D214 WeakPolarHBondContact CB-OD1 3.43Å; D212-D214 PolarHBondContact O-N 2.88Å; D212-D214 VanDerWaalsContact O-N 3.1Å; D212-T215 WeakPolarHBondContact O-CB 3.42Å; D212-T215 PolarHBondContact O-N 3.36Å; D212-P283 WeakPolarHBondContact OD2-CD 3.35Å
213S95.1Very high96.2Very high7 Ų722.1 Ų22.15%0.04912%0.116CC..THydrogen-bonded Turntrans-63.1-14.9-17646.90000115.4A90 E94 C102A90-S213 WeakPolarHBondContact O-CB 3.36Å; A90-S213 PolarHBondContact O-N 3.49Å; A90-S213 VanDerWaalsContact O-N 3.16Å; A90-S213 PolarHBondContact O-OG 2.9Å; E94-S213 PolarHBondContact OE2-OG 3Å; C102-S213 WeakPolarHBondContact CB-O 3.44Å
214D93.8Very high96.1Very high3 Ų314.2 Ų14.22%0.0169%0.087CC..THydrogen-bonded Turntrans-998.9-178.373.1-24.4000114D212 T338 E339 R468D212-D214 VanDerWaalsContact CB-OD1 3.31Å; D212-D214 WeakPolarHBondContact CB-OD1 3.43Å; D212-D214 PolarHBondContact O-N 2.88Å; D212-D214 VanDerWaalsContact O-N 3.1Å; D214-T338 PolarHBondContact OD1-OG1 3.48Å; D214-T338 PolarHBondContact OD2-OG1 2.83Å; D214-E339 HydrophobicContact CB-CB 4.39Å; D214-E339 PolarHBondContact OD2-N 3.38Å; D214-R468 VanDerWaalsContact CG-NH1 3.26Å; D214-R468 IonicContact OD2-CZ 2.73Å; D214-R468 IonicContact OD2-NH1 3.64Å; D214-R468 PolarHBondContact OD2-NH1 3.15Å; D214-R468 IonicContact OD2-NH2 3.65Å; D214-R468 PolarHBondContact OD2-NH2 2.91Å
215T95.9Very high96.1Very high0 Ų011.8 Ų11.80%07%0.07CC..  trans-109.4125.5-167.8-64.20000111.4C102 D212 L217 P283 C336 L337 T338C102-T215 WeakPolarHBondContact CA-O 3.34Å; C102-T215 VanDerWaalsContact CB-O 3.3Å; C102-T215 WeakPolarHBondContact CB-O 3.47Å; C102-T215 PolarHBondContact SG-O 3.16Å; D212-T215 WeakPolarHBondContact O-CB 3.42Å; D212-T215 PolarHBondContact O-N 3.36Å; T215-L217 HydrophobicContact CG2-CD2 4.22Å; T215-P283 HydrophobicContact CG2-CB 3.87Å; T215-P283 WeakPolarHBondContact OG1-CB 3.35Å; T215-C336 HydrophobicContact CG2-CB 3.56Å; T215-L337 CarbonylContact C-O 3.55Å; T215-L337 WeakPolarHBondContact CA-O 3.11Å; T215-T338 WeakPolarHBondContact OG1-CB 3.32Å; T215-T338 PolarHBondContact OG1-OG1 3.47Å
216M96.7Very high96Very high20 Ų2011.2 Ų11.210%0.0997%0.066CC..EExtended strand (participates in β ladder)trans-88.9122.8171.1-62.5176.564.300110.3K101 S105 L245 C336 L337K101-M216 HydrophobicContact CB-CE 4.4Å; K101-M216 HydrophobicContact CB-CG 3.8Å; K101-M216 HydrophobicContact CB-SD 3.79Å; K101-M216 HydrophobicContact CD-SD 4.09Å; K101-M216 HydrophobicContact CG-SD 4.26Å; S105-M216 WeakPolarHBondContact OG-CA 3.49Å; M216-L245 HydrophobicContact CG-CD2 4.36Å; M216-L245 HydrophobicContact SD-CD1 3.76Å; M216-L245 HydrophobicContact SD-CD2 3.8Å; M216-L245 HydrophobicContact SD-CG 4.47Å; M216-C336 CarbonylContact O-C 3.48Å; M216-C336 WeakPolarHBondContact O-CA 3.36Å; M216-C336 WeakPolarHBondContact O-CB 3.36Å; M216-L337 HydrophobicContact CB-CB 4.33Å; M216-L337 PolarHBondContact N-O 3.12Å; M216-L337 PolarHBondContact O-N 2.88Å
217L96.8Very high95.8Very high1 Ų110.2 Ų10.21%0.0056%0.059CC..EExtended strand (participates in β ladder)trans-89.4139.5179.8-60.6178.3000111.6L87 S105 V106 L109 T215 L284 C336L87-L217 HydrophobicContact CD1-CD1 4.16Å; L87-L217 HydrophobicContact CD2-CD1 3.88Å; S105-L217 PolarHBondContact OG-N 3.41Å; V106-L217 HydrophobicContact CG2-CD1 4.19Å; L109-L217 HydrophobicContact CD1-CD1 4.17Å; L109-L217 HydrophobicContact CD2-CB 4.05Å; L109-L217 HydrophobicContact CD2-CD1 4.41Å; T215-L217 HydrophobicContact CG2-CD2 4.22Å; L217-L284 HydrophobicContact CD2-CD1 3.82Å; L217-C336 HydrophobicContact CD2-CB 3.96Å
218D95.6Very high95.6Very high7 Ų711.3 Ų11.34%0.0377%0.066CC..PPolyproline II helixtrans-66.2140167.7-177.3-84.1000110.8L109 A220 S221 K335 L550 V552L109-D218 WeakPolarHBondContact CD2-O 3.45Å; D218-A220 PolarHBondContact O-N 2.95Å; D218-A220 VanDerWaalsContact O-N 3.09Å; D218-A220 WeakPolarHBondContact OD1-CB 3.46Å; D218-A220 PolarHBondContact OD1-N 3.31Å; D218-S221 WeakPolarHBondContact O-CB 3.31Å; D218-S221 PolarHBondContact O-N 3.06Å; D218-S221 PolarHBondContact O-OG 2.84Å; D218-K335 HydrophobicContact CB-CB 4.04Å; D218-K335 WeakPolarHBondContact CB-O 3.28Å; D218-K335 PolarHBondContact N-O 2.99Å; D218-L550 HydrophobicContact CB-CD1 4.3Å; D218-V552 WeakPolarHBondContact OD2-CG2 3.18Å
219P95Very high95.5Very high30 Ų3011.3 Ų11.320%0.1957%0.066CC..THydrogen-bonded Turntrans-52.6-32.5179.9-29.737.1000114.6R108 T110R108-P219 WeakPolarHBondContact O-CB 3.44Å; T110-P219 WeakPolarHBondContact CB-O 3.25Å; T110-P219 HydrophobicContact CG2-CB 3.95Å; T110-P219 PolarHBondContact N-O 2.85Å; T110-P219 PolarHBondContact OG1-O 3.35Å
220A92.9Very high95.2Very high31 Ų3114.5 Ų14.526%0.2568%0.081SC..THydrogen-bonded Turntrans-92.2-2.3179.600000113.5D218 S222 V223 E224D218-A220 PolarHBondContact O-N 2.95Å; D218-A220 VanDerWaalsContact O-N 3.09Å; D218-A220 WeakPolarHBondContact OD1-CB 3.46Å; D218-A220 PolarHBondContact OD1-N 3.31Å; A220-S222 PolarHBondContact O-N 3.31Å; A220-V223 WeakPolarHBondContact O-CB 3.21Å; A220-V223 PolarHBondContact O-N 3.46Å; A220-V223 VanDerWaalsContact O-N 3.14Å; A220-E224 HydrophobicContact CB-CG 4.39Å; A220-E224 WeakPolarHBondContact O-CG 3.43Å; A220-E224 PolarHBondContact O-N 2.88Å
221S95.3Very high94.9Very high0 Ų018.9 Ų18.90%010%0.101CC..Hα-helixtrans-54.3-50.1-170.758.40000113.9L109 D218 E224 M225 S334L109-S221 WeakPolarHBondContact CD2-OG 3.39Å; D218-S221 WeakPolarHBondContact O-CB 3.31Å; D218-S221 PolarHBondContact O-N 3.06Å; D218-S221 PolarHBondContact O-OG 2.84Å; S221-E224 PolarHBondContact O-N 3.25Å; S221-M225 PolarHBondContact O-N 3.32Å; S221-S334 VanDerWaalsContact C-OG 3.25Å; S221-S334 WeakPolarHBondContact CA-OG 3.04Å; S221-S334 WeakPolarHBondContact CB-OG 3.49Å; S221-S334 WeakPolarHBondContact O-CB 3.12Å; S221-S334 PolarHBondContact O-OG 3.24Å
222S96.3Very high94.8Very high1 Ų121.8 Ų21.81%0.00712%0.116CC..Hα-helixtrans-66.1-40.3179.1-54.70000112.3Q209 A220 M225 V226Q209-S222 PolarHBondContact OE1-OG 2.93Å; A220-S222 PolarHBondContact O-N 3.31Å; S222-M225 PolarHBondContact O-N 2.77Å; S222-V226 WeakPolarHBondContact O-CG2 3.46Å; S222-V226 PolarHBondContact O-N 2.9Å
223V94.6Very high94.7Very high15 Ų1524.7 Ų24.79%0.09114%0.137CC..Hα-helixtrans-58.7-51.3177.6170.80000109.9L81 Y111 A220 M225 V226 K227L81-V223 HydrophobicContact CD1-CG2 4.24Å; L81-V223 HydrophobicContact CD2-CG1 4.15Å; Y111-V223 HydrophobicContact CD2-CB 4.47Å; Y111-V223 HydrophobicContact CD2-CG2 3.79Å; Y111-V223 HydrophobicContact CG-CG2 4.41Å; A220-V223 WeakPolarHBondContact O-CB 3.21Å; A220-V223 PolarHBondContact O-N 3.46Å; A220-V223 VanDerWaalsContact O-N 3.14Å; V223-M225 VanDerWaalsContact C-N 3.3Å; V223-M225 PolarHBondContact O-N 3.03Å; V223-V226 PolarHBondContact O-N 2.83Å; V223-K227 WeakPolarHBondContact O-CG 3.29Å; V223-K227 PolarHBondContact O-N 3.02Å
224E94.4Very high94.8Very high13 Ų1329.1 Ų29.16%0.06116%0.158CC..Hα-helixtrans-65.3-30.7-176.7-66.3-61.5140.100113.3A220 S221 K227 V228 R333A220-E224 HydrophobicContact CB-CG 4.39Å; A220-E224 WeakPolarHBondContact O-CG 3.43Å; A220-E224 PolarHBondContact O-N 2.88Å; S221-E224 PolarHBondContact O-N 3.25Å; E224-K227 IonicContact OE1-NZ 3.91Å; E224-K227 PolarHBondContact OE1-NZ 2.61Å; E224-V228 PolarHBondContact O-N 3Å; E224-R333 HydrophobicContact CB-CB 4.15Å; E224-R333 HydrophobicContact CG-CB 3.95Å; E224-R333 IonicContact OE1-CZ 2.92Å; E224-R333 IonicContact OE1-NH1 3.11Å; E224-R333 IonicContact OE1-NH2 3.2Å; E224-R333 PolarHBondContact OE1-NH2 3.43Å; E224-R333 IonicContact OE2-CZ 2.77Å; E224-R333 IonicContact OE2-NE 3.75Å; E224-R333 PolarHBondContact OE2-NE 3.21Å; E224-R333 IonicContact OE2-NH1 2.76Å; E224-R333 PolarHBondContact OE2-NH1 3.01Å; E224-R333 VanDerWaalsContact OE2-NH1 3.11Å; E224-R333 IonicContact OE2-NH2 3.37Å; E224-R333 PolarHBondContact OE2-NH2 2.9Å
225M95.9Very high95Very high0 Ų029 Ų290%016%0.158CC..Hα-helixtrans-73-42.7173.7-74.6-172-67.200112.6Q209 S221 S222 V223 K227 V228 L229 V238 L284 M286 T331Q209-M225 HydrophobicContact CG-CE 3.84Å; S221-M225 PolarHBondContact O-N 3.32Å; S222-M225 PolarHBondContact O-N 2.77Å; V223-M225 VanDerWaalsContact C-N 3.3Å; V223-M225 PolarHBondContact O-N 3.03Å; M225-K227 PolarHBondContact O-N 3.26Å; M225-V228 PolarHBondContact O-N 3.04Å; M225-L229 PolarHBondContact O-N 3.34Å; M225-L229 VanDerWaalsContact O-N 3.15Å; M225-V238 HydrophobicContact CB-CG1 3.65Å; M225-V238 HydrophobicContact CG-CG1 3.84Å; M225-V238 HydrophobicContact CG-CG2 4.44Å; M225-V238 HydrophobicContact SD-CG1 4.32Å; M225-L284 HydrophobicContact CE-CD1 3.43Å; M225-L284 VanDerWaalsContact CE-CD1 3.43Å; M225-L284 HydrophobicContact CE-CG 4.26Å; M225-L284 HydrophobicContact SD-CD1 4.02Å; M225-L284 HydrophobicContact SD-CG 4.21Å; M225-M286 HydrophobicContact CB-CB 4.06Å; M225-M286 HydrophobicContact CB-CE 3.99Å; M225-M286 HydrophobicContact CB-SD 3.75Å; M225-M286 HydrophobicContact CE-CB 4.15Å; M225-M286 HydrophobicContact CE-CE 4Å; M225-M286 HydrophobicContact CG-CB 4.48Å; M225-M286 HydrophobicContact SD-CB 3.74Å; M225-T331 HydrophobicContact CG-CG2 4.42Å
226V95.8Very high95.1Very high0 Ų029 Ų290%016%0.158CC..Hα-helixtrans-59.2-38.2174.4170.90000110.5V85 Y111 Y207 S222 V223 V228 L229 E230 M286V85-V226 HydrophobicContact CG2-CG2 3.83Å; Y111-V226 HydrophobicContact CD2-CG2 4.3Å; Y111-V226 HydrophobicContact CE2-CB 3.98Å; Y111-V226 HydrophobicContact CE2-CG1 4.1Å; Y111-V226 HydrophobicContact CE2-CG2 3.63Å; Y207-V226 HydrophobicContact CD2-CG2 4.07Å; Y207-V226 HydrophobicContact CE2-CG1 4.19Å; S222-V226 WeakPolarHBondContact O-CG2 3.46Å; S222-V226 PolarHBondContact O-N 2.9Å; V223-V226 PolarHBondContact O-N 2.83Å; V226-V228 VanDerWaalsContact C-N 3.33Å; V226-V228 PolarHBondContact O-N 3.45Å; V226-L229 PolarHBondContact O-N 2.9Å; V226-E230 HydrophobicContact CG1-CG 3.96Å; V226-E230 WeakPolarHBondContact O-CG 3.32Å; V226-E230 PolarHBondContact O-N 3.2Å; V226-M286 HydrophobicContact CG2-CE 3.96Å; V226-M286 HydrophobicContact CG2-SD 3.65Å
227K93.4Very high95.2Very high39 Ų3928.1 Ų28.117%0.1715%0.153CC..Hα-helixtrans-57.6-44.8176.9-67.7-177.1-179.4165.20112.8I79 V223 E224 M225 E230 E231I79-K227 HydrophobicContact CB-CG 4.3Å; I79-K227 HydrophobicContact CD1-CB 3.52Å; I79-K227 HydrophobicContact CD1-CD 4.17Å; I79-K227 HydrophobicContact CD1-CG 3.49Å; I79-K227 VanDerWaalsContact CD1-CG 3.49Å; I79-K227 HydrophobicContact CG1-CG 4.41Å; I79-K227 HydrophobicContact CG2-CG 4.47Å; V223-K227 WeakPolarHBondContact O-CG 3.29Å; V223-K227 PolarHBondContact O-N 3.02Å; E224-K227 IonicContact OE1-NZ 3.91Å; E224-K227 PolarHBondContact OE1-NZ 2.61Å; M225-K227 PolarHBondContact O-N 3.26Å; K227-E230 PolarHBondContact O-N 3.43Å; K227-E231 WeakPolarHBondContact O-CB 3.16Å; K227-E231 PolarHBondContact O-N 3.49Å
228V94.4Very high95.3Very high27 Ų2728 Ų2816%0.16415%0.153CC..Hα-helixtrans-65.1-40.31791750000111.6E224 M225 V226 V238 K329 T331E224-V228 PolarHBondContact O-N 3Å; M225-V228 PolarHBondContact O-N 3.04Å; V226-V228 VanDerWaalsContact C-N 3.33Å; V226-V228 PolarHBondContact O-N 3.45Å; V228-V238 HydrophobicContact CB-CB 4.45Å; V228-V238 HydrophobicContact CB-CG2 4Å; V228-V238 HydrophobicContact CG1-CB 4.13Å; V228-V238 HydrophobicContact CG1-CG2 3.79Å; V228-V238 HydrophobicContact CG2-CG2 4.26Å; V228-K329 HydrophobicContact CG1-CB 3.83Å; V228-K329 HydrophobicContact CG1-CG 4.23Å; V228-T331 HydrophobicContact CG2-CG2 4.06Å
229L95.3Very high95.4Very high0 Ų027.9 Ų27.90%015%0.153CC..Hα-helixtrans-69.5-39.6177.6-65.3173.9000111.2Y207 M225 V226 E231 V235 V238 M286 R288Y207-L229 HydrophobicContact CD1-CD1 3.43Å; Y207-L229 VanDerWaalsContact CD1-CD1 3.43Å; Y207-L229 HydrophobicContact CE1-CB 3.72Å; Y207-L229 HydrophobicContact CE1-CD1 3.45Å; Y207-L229 VanDerWaalsContact CE1-CD1 3.45Å; Y207-L229 HydrophobicContact CE1-CG 4.14Å; Y207-L229 HydrophobicContact CG-CD1 4.19Å; M225-L229 PolarHBondContact O-N 3.34Å; M225-L229 VanDerWaalsContact O-N 3.15Å; V226-L229 PolarHBondContact O-N 2.9Å; L229-E231 VanDerWaalsContact C-N 3.33Å; L229-E231 PolarHBondContact O-N 3.48Å; L229-V235 HydrophobicContact CD2-CB 4.39Å; L229-V235 HydrophobicContact CD2-CG1 3.81Å; L229-V238 HydrophobicContact CD1-CG1 4.07Å; L229-V238 HydrophobicContact CD2-CB 4.49Å; L229-V238 HydrophobicContact CD2-CG1 4.17Å; L229-V238 HydrophobicContact CG-CG1 3.87Å; L229-M286 HydrophobicContact CD1-CB 4.39Å; L229-M286 HydrophobicContact CD1-CG 3.77Å; L229-M286 HydrophobicContact CD1-SD 3.8Å; L229-R288 PolarHBondContact O-NH2 3.02Å
230E93.4Very high95.5Very high68 Ų6826.5 Ų26.532%0.31815%0.145SC..Hα-helixtrans-72.3-25.2178.5-68.1-67.110700113.2I79 K83 Y207 V226 K227 D232I79-E230 HydrophobicContact CG2-CB 4.5Å; K83-E230 VanDerWaalsContact CE-OE1 3.31Å; K83-E230 WeakPolarHBondContact CE-OE1 3.34Å; K83-E230 WeakPolarHBondContact CE-OE2 3.35Å; Y207-E230 PolarHBondContact OH-OE1 2.93Å; V226-E230 HydrophobicContact CG1-CG 3.96Å; V226-E230 WeakPolarHBondContact O-CG 3.32Å; V226-E230 PolarHBondContact O-N 3.2Å; K227-E230 PolarHBondContact O-N 3.43Å; E230-D232 VanDerWaalsContact C-N 3.32Å; E230-D232 PolarHBondContact O-N 2.97Å
231E91.4Very high95.7Very high98 Ų9825.3 Ų25.346%0.45813%0.134SC..Hα-helixtrans-66.2-32.5178.1-168.3-179.3145.500112.4K70 S74 K227 L229K70-E231 IonicContact NZ-OE1 3.14Å; S74-E231 PolarHBondContact OG-OE2 2.9Å; K227-E231 WeakPolarHBondContact O-CB 3.16Å; K227-E231 PolarHBondContact O-N 3.49Å; L229-E231 VanDerWaalsContact C-N 3.33Å; L229-E231 PolarHBondContact O-N 3.48Å
232D92.8Very high95.8Very high62 Ų6225.4 Ų25.433%0.33213%0.134SC..  trans-143.1111.4-176.4-175.2-4.5000112.5E230 M234 V235 R288E230-D232 VanDerWaalsContact C-N 3.32Å; E230-D232 PolarHBondContact O-N 2.97Å; D232-M234 PolarHBondContact O-N 2.98Å; D232-M234 VanDerWaalsContact O-N 3.14Å; D232-M234 WeakPolarHBondContact OD1-CB 3.47Å; D232-M234 PolarHBondContact OD1-N 3.05Å; D232-V235 HydrophobicContact CB-CB 4.49Å; D232-V235 HydrophobicContact CB-CG2 3.74Å; D232-V235 PolarHBondContact O-N 2.61Å; D232-R288 PolarHBondContact O-NH2 2.94Å
233P94.5Very high95.8Very high96 Ų9628.1 Ų28.162%0.62315%0.147SC*.THydrogen-bonded Turntrans-54.8-26.7173.6-27.535.7000114.9V235P233-V235 VanDerWaalsContact C-N 3.29Å
234M96.8Very high95.8Very high100 Ų10027.6 Ų27.649%0.49314%0.144SC..THydrogen-bonded Turntrans-80.1-8.1178.4-67.7-56.6-54.200113.4D232 G236 Y326 A327D232-M234 PolarHBondContact O-N 2.98Å; D232-M234 VanDerWaalsContact O-N 3.14Å; D232-M234 WeakPolarHBondContact OD1-CB 3.47Å; D232-M234 PolarHBondContact OD1-N 3.05Å; M234-G236 PolarHBondContact O-N 3.39Å; M234-Y326 HydrophobicContact CE-CD1 4.47Å; M234-Y326 CarbonylContact O-C 3.59Å; M234-Y326 WeakPolarHBondContact O-CA 3.45Å; M234-Y326 WeakPolarHBondContact O-CD1 3.39Å; M234-A327 PolarHBondContact O-N 3.26Å
235V98.1Very high95.7Very high2 Ų228 Ų281%0.01215%0.146CC..EExtended strand (participates in β ladder)trans-83.8113.9171.7-177.90000109L229 D232 P233 G237 R288 A327 K329L229-V235 HydrophobicContact CD2-CB 4.39Å; L229-V235 HydrophobicContact CD2-CG1 3.81Å; D232-V235 HydrophobicContact CB-CB 4.49Å; D232-V235 HydrophobicContact CB-CG2 3.74Å; D232-V235 PolarHBondContact O-N 2.61Å; P233-V235 VanDerWaalsContact C-N 3.29Å; V235-G237 WeakPolarHBondContact CG1-O 3.45Å; V235-R288 PolarHBondContact O-NE 3.39Å; V235-R288 PolarHBondContact O-NH2 3.15Å; V235-A327 CarbonylContact C-O 3.59Å; V235-A327 WeakPolarHBondContact CA-O 3.39Å; V235-A327 HydrophobicContact CG2-CB 4.22Å; V235-K329 HydrophobicContact CB-CG 4.39Å; V235-K329 HydrophobicContact CG1-CB 4.01Å; V235-K329 HydrophobicContact CG1-CG 3.69Å; V235-K329 HydrophobicContact CG2-CG 3.67Å
236G98.1Very high95.5Very high0 Ų028.1 Ų28.10%015%0.147CC..EExtended strand (participates in β ladder)trans-91.3-19.7-179.300000114.3M234 R288 L291 A327M234-G236 PolarHBondContact O-N 3.39Å; G236-R288 PolarHBondContact O-N 3.48Å; G236-L291 VanDerWaalsContact CA-CD1 3.47Å; G236-A327 PolarHBondContact N-O 2.89Å
237G98.4Very high95.2Very high0 Ų029.9 Ų29.90%015%0.154CC..EExtended strand (participates in β ladder)trans-158.8153.4177.100000113.3V235 I280 M286 T328 K329V235-G237 WeakPolarHBondContact CG1-O 3.45Å; G237-I280 VanDerWaalsContact C-CD1 3.48Å; G237-M286 CarbonylContact C-O 3.48Å; G237-M286 VanDerWaalsContact CA-O 3.23Å; G237-M286 WeakPolarHBondContact CA-O 3.47Å; G237-T328 WeakPolarHBondContact O-CA 3.46Å; G237-K329 PolarHBondContact O-N 2.97Å
238V98.6Very high95Very high0 Ų030.9 Ų30.90%016%0.157CC..EExtended strand (participates in β ladder)trans-137139.3179.760.40000110.8M225 V228 L229 G285 M286 K329 T331M225-V238 HydrophobicContact CB-CG1 3.65Å; M225-V238 HydrophobicContact CG-CG1 3.84Å; M225-V238 HydrophobicContact CG-CG2 4.44Å; M225-V238 HydrophobicContact SD-CG1 4.32Å; V228-V238 HydrophobicContact CB-CB 4.45Å; V228-V238 HydrophobicContact CB-CG2 4Å; V228-V238 HydrophobicContact CG1-CB 4.13Å; V228-V238 HydrophobicContact CG1-CG2 3.79Å; V228-V238 HydrophobicContact CG2-CG2 4.26Å; L229-V238 HydrophobicContact CD1-CG1 4.07Å; L229-V238 HydrophobicContact CD2-CB 4.49Å; L229-V238 HydrophobicContact CD2-CG1 4.17Å; L229-V238 HydrophobicContact CG-CG1 3.87Å; V238-G285 CarbonylContact O-C 3.56Å; V238-G285 WeakPolarHBondContact O-CA 3.33Å; V238-M286 HydrophobicContact CG1-CB 4.03Å; V238-M286 PolarHBondContact N-O 2.94Å; V238-M286 PolarHBondContact O-N 3.36Å; V238-K329 CarbonylContact C-O 3.47Å; V238-K329 VanDerWaalsContact CA-O 3.3Å; V238-K329 WeakPolarHBondContact CA-O 3.24Å; V238-K329 HydrophobicContact CG2-CB 4.33Å; V238-T331 HydrophobicContact CG2-CG2 3.97Å
239G98.3Very high94.8Very high4 Ų432.1 Ų32.14%0.04116%0.163CC..EExtended strand (participates in β ladder)trans-110.1154.9169.900000112.9L284 K329 Y330 T331G239-L284 WeakPolarHBondContact CA-O 3.47Å; G239-K329 PolarHBondContact N-O 3.08Å; G239-Y330 CarbonylContact O-C 3.54Å; G239-Y330 VanDerWaalsContact O-CA 3.28Å; G239-Y330 WeakPolarHBondContact O-CA 2.96Å; G239-T331 PolarHBondContact O-N 3.4Å
240G97.4Very high94.6Very high1 Ų133.2 Ų33.21%0.0117%0.171CC..EExtended strand (participates in β ladder)trans-101.3179.7173.500000114.4V242 F264 L284 Y330 S334G240-V242 PolarHBondContact O-N 3.49Å; G240-F264 VanDerWaalsContact O-CD1 3.32Å; G240-F264 WeakPolarHBondContact O-CD1 3.48Å; G240-F264 WeakPolarHBondContact O-CE1 3.46Å; G240-L284 PolarHBondContact N-O 3.24Å; G240-Y330 WeakPolarHBondContact O-CE2 3.25Å; G240-S334 CarbonylContact C-O 3.53Å; G240-S334 VanDerWaalsContact CA-O 3.3Å; G240-S334 WeakPolarHBondContact CA-O 3.3Å
241D97.5Very high94.5Very high5 Ų533.3 Ų33.33%0.02717%0.168CC..EExtended strand (participates in β ladder)trans-78101.8173.4-170.944.3000110.9Q243 F264 N265 Y330 S334 K335 C336D241-Q243 PolarHBondContact OD2-NE2 3.02Å; D241-F264 VanDerWaalsContact OD1-CB 3.31Å; D241-F264 WeakPolarHBondContact OD1-CB 3.43Å; D241-N265 PolarHBondContact OD1-ND2 3.41Å; D241-Y330 HydrophobicContact CB-CE2 4.16Å; D241-Y330 PolarHBondContact OD1-OH 3.16Å; D241-S334 PolarHBondContact N-O 3.45Å; D241-K335 HydrophobicContact CB-CG 4.27Å; D241-K335 WeakPolarHBondContact O-CA 3.32Å; D241-C336 PolarHBondContact O-N 2.86Å
242V97.3Very high94.6Very high2 Ų229.3 Ų29.31%0.01215%0.15CC..EExtended strand (participates in β ladder)trans-85.3120.4175.8-174.80000108.9G240 Y260 F264 P283 L284 T338G240-V242 PolarHBondContact O-N 3.49Å; V242-Y260 HydrophobicContact CB-CD1 4.49Å; V242-Y260 HydrophobicContact CG1-CD1 4.24Å; V242-Y260 HydrophobicContact CG1-CE1 3.99Å; V242-Y260 WeakPolarHBondContact O-CD1 3.29Å; V242-F264 HydrophobicContact CB-CD2 4.34Å; V242-F264 HydrophobicContact CB-CE1 4.07Å; V242-F264 HydrophobicContact CB-CE2 3.6Å; V242-F264 HydrophobicContact CB-CZ 3.42Å; V242-F264 VanDerWaalsContact CB-CZ 3.42Å; V242-F264 HydrophobicContact CG2-CE1 3.76Å; V242-F264 HydrophobicContact CG2-CE2 4.16Å; V242-F264 HydrophobicContact CG2-CZ 3.44Å; V242-F264 VanDerWaalsContact CG2-CZ 3.44Å; V242-P283 HydrophobicContact CG1-CB 4Å; V242-P283 HydrophobicContact CG1-CG 4.19Å; V242-P283 HydrophobicContact CG2-CB 4.12Å; V242-L284 HydrophobicContact CG2-CB 4.25Å; V242-T338 HydrophobicContact CG1-CG2 3.37Å
243Q96.1Very high94.6Very high59 Ų5926.4 Ų26.428%0.27613%0.134SC..EExtended strand (participates in β ladder)trans-113.6161.9178.3-61.1-176.514.700110.6D241 C336 L337 T338D241-Q243 PolarHBondContact OD2-NE2 3.02Å; Q243-C336 WeakPolarHBondContact CB-O 3.45Å; Q243-C336 PolarHBondContact N-O 3.38Å; Q243-L337 HydrophobicContact CB-CD2 3.55Å; Q243-L337 CarbonylContact O-C 3.6Å; Q243-L337 VanDerWaalsContact O-CA 3.31Å; Q243-L337 WeakPolarHBondContact O-CA 3.4Å; Q243-T338 PolarHBondContact O-N 3.35Å
244I94.8Very high94.6Very high4 Ų421.9 Ų21.92%0.02111%0.105CC..EExtended strand (participates in β ladder)trans-93.3124.8-178.4-60.9-52.2000110.7N246 K247 Y260 T338 T340I244-N246 WeakPolarHBondContact CG2-OD1 3.27Å; I244-K247 HydrophobicContact CB-CB 4.2Å; I244-K247 HydrophobicContact CG2-CB 3.91Å; I244-Y260 HydrophobicContact CD1-CD1 3.62Å; I244-Y260 HydrophobicContact CD1-CD2 4.24Å; I244-Y260 HydrophobicContact CD1-CE1 3.51Å; I244-Y260 HydrophobicContact CD1-CE2 4.15Å; I244-Y260 HydrophobicContact CD1-CG 3.98Å; I244-Y260 HydrophobicContact CG1-CD1 4.15Å; I244-Y260 HydrophobicContact CG1-CD2 4.48Å; I244-Y260 HydrophobicContact CG1-CG 4.13Å; I244-T338 WeakPolarHBondContact CA-O 3.24Å; I244-T338 HydrophobicContact CD1-CG2 4.12Å; I244-T340 HydrophobicContact CB-CG2 4.48Å; I244-T340 HydrophobicContact CD1-CG2 4.06Å; I244-T340 HydrophobicContact CG1-CG2 4.24Å; I244-T340 HydrophobicContact CG2-CG2 3.43Å; I244-T340 VanDerWaalsContact CG2-CG2 3.43Å
245L91.6Very high94.5Very high21 Ų2117.1 Ų17.111%0.118%0.082CC..THydrogen-bonded Turntrans-70.1-55.9177.8-176.356.9000111.4Y98 M216 K247 L337 T338Y98-L245 HydrophobicContact CD1-CD2 3.7Å; Y98-L245 HydrophobicContact CE1-CD2 3.55Å; Y98-L245 HydrophobicContact CE1-CG 4.35Å; M216-L245 HydrophobicContact CG-CD2 4.36Å; M216-L245 HydrophobicContact SD-CD1 3.76Å; M216-L245 HydrophobicContact SD-CD2 3.8Å; M216-L245 HydrophobicContact SD-CG 4.47Å; L245-K247 VanDerWaalsContact C-N 3.25Å; L245-K247 PolarHBondContact O-N 3.2Å; L245-K247 VanDerWaalsContact O-N 3.14Å; L245-L337 HydrophobicContact CB-CB 3.98Å; L245-L337 HydrophobicContact CD1-CB 4.01Å; L245-L337 HydrophobicContact CD1-CD1 3.93Å; L245-T338 WeakPolarHBondContact CB-O 2.97Å; L245-T338 PolarHBondContact N-O 3.31Å
246N91.6Very high94.4Very high3 Ų317.2 Ų17.22%0.0168%0.082CC..THydrogen-bonded Turntrans-8836.1-175.265-29000113.6I244 Y248 D249 S253 E339 T340 I342I244-N246 WeakPolarHBondContact CG2-OD1 3.27Å; N246-Y248 PolarHBondContact O-N 3.41Å; N246-Y248 VanDerWaalsContact O-N 3.1Å; N246-D249 HydrophobicContact CB-CB 4.33Å; N246-D249 WeakPolarHBondContact CB-OD2 3.2Å; N246-D249 WeakPolarHBondContact O-CB 3.49Å; N246-D249 PolarHBondContact O-N 3.44Å; N246-D249 VanDerWaalsContact O-N 3.15Å; N246-S253 VanDerWaalsContact O-CB 3.29Å; N246-S253 WeakPolarHBondContact O-CB 3.3Å; N246-S253 PolarHBondContact O-OG 3Å; N246-E339 PolarHBondContact ND2-OE1 2.95Å; N246-T340 PolarHBondContact ND2-O 2.74Å; N246-T340 PolarHBondContact OD1-N 3Å; N246-T340 PolarHBondContact OD1-O 2.65Å; N246-I342 WeakPolarHBondContact ND2-CG2 3.41Å
247K90Very high94.3Very high36 Ų3618 Ų1816%0.1579%0.087CC..THydrogen-bonded Turntrans-65.6-14.6-172.168.9-170.8172.5-150.40115.3I244 L245 F254I244-K247 HydrophobicContact CB-CB 4.2Å; I244-K247 HydrophobicContact CG2-CB 3.91Å; L245-K247 VanDerWaalsContact C-N 3.25Å; L245-K247 PolarHBondContact O-N 3.2Å; L245-K247 VanDerWaalsContact O-N 3.14Å; K247-F254 WeakPolarHBondContact O-CA 3.45Å; K247-F254 VanDerWaalsContact O-CB 3.22Å; K247-F254 WeakPolarHBondContact O-CB 3.4Å; K247-F254 PolarHBondContact O-N 3.36Å
248Y89.4Confident94.1Very high61 Ų6118 Ų1824%0.2399%0.087CC..THydrogen-bonded Turntrans-105.54.1179.6-59.9-55.4000113.3N246 F254 I534 K541N246-Y248 PolarHBondContact O-N 3.41Å; N246-Y248 VanDerWaalsContact O-N 3.1Å; Y248-F254 HydrophobicContact CD1-CD2 4.48Å; Y248-F254 HydrophobicContact CE1-CD2 4.47Å; Y248-F254 HydrophobicContact CE1-CE2 4.5Å; Y248-I534 HydrophobicContact CD1-CG2 3.82Å; Y248-I534 HydrophobicContact CE1-CG2 4.14Å; Y248-K541 HydrophobicContact CE2-CB 4.46Å
249D89.1Confident94Very high52 Ų5220.7 Ų20.728%0.27810%0.098SC..SBendtrans-80.2-28.1-175.1-71.39.1000112.4N246 I342 K542N246-D249 HydrophobicContact CB-CB 4.33Å; N246-D249 WeakPolarHBondContact CB-OD2 3.2Å; N246-D249 WeakPolarHBondContact O-CB 3.49Å; N246-D249 PolarHBondContact O-N 3.44Å; N246-D249 VanDerWaalsContact O-N 3.15Å; D249-I342 HydrophobicContact CB-CG2 3.8Å; D249-K542 VanDerWaalsContact CG-NZ 3.27Å; D249-K542 VanDerWaalsContact OD1-CE 3.25Å; D249-K542 WeakPolarHBondContact OD1-CE 3.43Å; D249-K542 IonicContact OD1-NZ 3.74Å; D249-K542 PolarHBondContact OD1-NZ 3.43Å; D249-K542 IonicContact OD2-NZ 2.68Å
250S91.3Very high93.8Very high24 Ų2422.3 Ų22.317%0.16810%0.103CC..  trans-154.8165.7178.369.10000111.8I252 S253 F254 I342S250-I252 PolarHBondContact O-N 2.49Å; S250-I252 PolarHBondContact OG-N 3.14Å; S250-S253 PolarHBondContact N-OG 3.06Å; S250-S253 VanDerWaalsContact N-OG 3.09Å; S250-S253 PolarHBondContact O-N 2.77Å; S250-S253 PolarHBondContact O-OG 3.46Å; S250-S253 WeakPolarHBondContact OG-CB 3.07Å; S250-S253 PolarHBondContact OG-N 2.99Å; S250-S253 PolarHBondContact OG-OG 2.89Å; S250-F254 WeakPolarHBondContact O-CB 3.47Å; S250-F254 PolarHBondContact O-N 2.78Å; S250-I342 WeakPolarHBondContact CB-O 3.23Å; S250-I342 WeakPolarHBondContact OG-CA 3.36Å; S250-I342 PolarHBondContact OG-O 3.05Å
251W91.4Very high93.8Very high70 Ų7023.6 Ų23.627%0.26511%0.107SC..Hα-helixtrans-57.8-38.1169177-91.1000112.3L255 L438 L527 Y530W251-L255 HydrophobicContact CD2-CD1 4.43Å; W251-L255 HydrophobicContact CD2-CG 4.46Å; W251-L255 HydrophobicContact CZ2-CD1 3.87Å; W251-L255 HydrophobicContact CZ2-CD2 4.47Å; W251-L255 HydrophobicContact CZ2-CG 4.36Å; W251-L255 WeakPolarHBondContact O-CB 3.32Å; W251-L255 WeakPolarHBondContact O-CG 3.47Å; W251-L255 PolarHBondContact O-N 3Å; W251-L438 HydrophobicContact CH2-CD1 3.36Å; W251-L438 HydrophobicContact CH2-CD2 4.36Å; W251-L438 HydrophobicContact CH2-CG 4.29Å; W251-L438 HydrophobicContact CZ2-CB 4.09Å; W251-L438 HydrophobicContact CZ2-CD1 3.75Å; W251-L438 HydrophobicContact CZ2-CD2 4.47Å; W251-L438 HydrophobicContact CZ2-CG 4.34Å; W251-L438 HydrophobicContact CZ3-CD1 4.35Å; W251-L527 HydrophobicContact CH2-CD2 3.43Å; W251-L527 VanDerWaalsContact CH2-CD2 3.43Å; W251-L527 HydrophobicContact CZ2-CD2 4.2Å; W251-L527 HydrophobicContact CZ3-CD2 3.71Å; W251-Y530 WeakPolarHBondContact CA-OH 3.44Å; W251-Y530 HydrophobicContact CD2-CE1 4.5Å; W251-Y530 HydrophobicContact CD2-CE2 4.46Å; W251-Y530 AromaticContact CE3-CD1 3.43Å; W251-Y530 HydrophobicContact CE3-CD1 3.43Å; W251-Y530 VanDerWaalsContact CE3-CD1 3.43Å; W251-Y530 AromaticContact CE3-CD2 3.71Å; W251-Y530 HydrophobicContact CE3-CD2 3.71Å; W251-Y530 AromaticContact CE3-CE1 3.33Å; W251-Y530 HydrophobicContact CE3-CE1 3.33Å; W251-Y530 AromaticContact CE3-CE2 3.59Å; W251-Y530 HydrophobicContact CE3-CE2 3.59Å; W251-Y530 AromaticContact CE3-CG 3.62Å; W251-Y530 HydrophobicContact CE3-CG 3.62Å; W251-Y530 AromaticContact CE3-CZ 3.4Å; W251-Y530 VanDerWaalsContact CE3-CZ 3.4Å; W251-Y530 HydrophobicContact CH2-CG 4.28Å; W251-Y530 AromaticContact CZ3-CD1 3.32Å; W251-Y530 HydrophobicContact CZ3-CD1 3.32Å; W251-Y530 AromaticContact CZ3-CD2 3.56Å; W251-Y530 HydrophobicContact CZ3-CD2 3.56Å; W251-Y530 AromaticContact CZ3-CE1 3.78Å; W251-Y530 HydrophobicContact CZ3-CE1 3.78Å; W251-Y530 AromaticContact CZ3-CE2 3.98Å; W251-Y530 HydrophobicContact CZ3-CE2 3.98Å; W251-Y530 AromaticContact CZ3-CG 3.2Å; W251-Y530 HydrophobicContact CZ3-CG 3.2Å; W251-Y530 PolarHBondContact N-OH 2.93Å
252I93.9Very high93.7Very high14 Ų1424.3 Ų24.37%0.07211%0.111CC..Hα-helixtrans-69.5-46.5-178.9-63.1-61.9000111.2S250 F254 L255 S256 Y344 W347 L442S250-I252 PolarHBondContact O-N 2.49Å; S250-I252 PolarHBondContact OG-N 3.14Å; I252-F254 VanDerWaalsContact C-N 3.32Å; I252-F254 PolarHBondContact O-N 2.88Å; I252-L255 PolarHBondContact O-N 3.31Å; I252-S256 VanDerWaalsContact O-CB 3.28Å; I252-S256 WeakPolarHBondContact O-CB 3.44Å; I252-S256 PolarHBondContact O-N 3.48Å; I252-S256 PolarHBondContact O-OG 3.07Å; I252-Y344 HydrophobicContact CD1-CD2 3.93Å; I252-W347 HydrophobicContact CG2-CB 3.61Å; I252-W347 HydrophobicContact CG2-CD2 4.07Å; I252-W347 HydrophobicContact CG2-CG 3.48Å; I252-W347 VanDerWaalsContact CG2-CG 3.48Å; I252-L442 HydrophobicContact CD1-CD1 4.27Å; I252-L442 HydrophobicContact CD1-CD2 4.32Å
253S93.5Very high93.6Very high0 Ų025 Ų250%012%0.116CC..Hα-helixtrans-66.7-35.9177.464.70000111.7N246 S250 S256 S257 T340N246-S253 VanDerWaalsContact O-CB 3.29Å; N246-S253 WeakPolarHBondContact O-CB 3.3Å; N246-S253 PolarHBondContact O-OG 3Å; S250-S253 PolarHBondContact N-OG 3.06Å; S250-S253 VanDerWaalsContact N-OG 3.09Å; S250-S253 PolarHBondContact O-N 2.77Å; S250-S253 PolarHBondContact O-OG 3.46Å; S250-S253 WeakPolarHBondContact OG-CB 3.07Å; S250-S253 PolarHBondContact OG-N 2.99Å; S250-S253 PolarHBondContact OG-OG 2.89Å; S253-S256 PolarHBondContact O-N 2.93Å; S253-S257 PolarHBondContact O-N 2.81Å; S253-T340 VanDerWaalsContact CB-CG2 3.48Å
254F94.1Very high93.6Very high2 Ų222.8 Ų22.81%0.00911%0.106CC..Hα-helixtrans-63-52.8172.9-179.4-104.1000112.6K247 Y248 S250 I252 S256 S257 V258 V432 F435 Y530 I534K247-F254 WeakPolarHBondContact O-CA 3.45Å; K247-F254 VanDerWaalsContact O-CB 3.22Å; K247-F254 WeakPolarHBondContact O-CB 3.4Å; K247-F254 PolarHBondContact O-N 3.36Å; Y248-F254 HydrophobicContact CD1-CD2 4.48Å; Y248-F254 HydrophobicContact CE1-CD2 4.47Å; Y248-F254 HydrophobicContact CE1-CE2 4.5Å; S250-F254 WeakPolarHBondContact O-CB 3.47Å; S250-F254 PolarHBondContact O-N 2.78Å; I252-F254 VanDerWaalsContact C-N 3.32Å; I252-F254 PolarHBondContact O-N 2.88Å; F254-S256 PolarHBondContact O-N 2.85Å; F254-S257 WeakPolarHBondContact O-CB 3.49Å; F254-S257 PolarHBondContact O-N 3.42Å; F254-S257 PolarHBondContact O-OG 3.43Å; F254-V258 HydrophobicContact CZ-CG1 4.35Å; F254-V258 PolarHBondContact O-N 2.78Å; F254-V432 HydrophobicContact CE2-CG1 4.13Å; F254-V432 HydrophobicContact CZ-CG1 3.98Å; F254-F435 HydrophobicContact CE1-CB 3.66Å; F254-F435 AromaticContact CE1-CD2 3.79Å; F254-F435 HydrophobicContact CE1-CD2 3.79Å; F254-F435 AromaticContact CE1-CG 3.76Å; F254-F435 HydrophobicContact CE1-CG 3.76Å; F254-F435 HydrophobicContact CZ-CB 4.18Å; F254-F435 AromaticContact CZ-CD2 3.61Å; F254-F435 HydrophobicContact CZ-CD2 3.61Å; F254-F435 HydrophobicContact CZ-CE2 4.27Å; F254-F435 HydrophobicContact CZ-CG 4.08Å; F254-Y530 HydrophobicContact CB-CE2 4.11Å; F254-Y530 AromaticContact CD1-CD2 3.78Å; F254-Y530 HydrophobicContact CD1-CD2 3.78Å; F254-Y530 AromaticContact CD1-CE2 3.44Å; F254-Y530 HydrophobicContact CD1-CE2 3.44Å; F254-Y530 VanDerWaalsContact CD1-CE2 3.44Å; F254-Y530 AromaticContact CE1-CD2 3.84Å; F254-Y530 HydrophobicContact CE1-CD2 3.84Å; F254-Y530 AromaticContact CE1-CE2 3.96Å; F254-Y530 HydrophobicContact CE1-CE2 3.96Å; F254-Y530 HydrophobicContact CG-CD2 4.49Å; F254-Y530 AromaticContact CG-CE2 3.8Å; F254-Y530 HydrophobicContact CG-CE2 3.8Å; F254-I534 HydrophobicContact CD2-CG2 3.64Å; F254-I534 HydrophobicContact CE1-CG1 4.15Å; F254-I534 HydrophobicContact CE2-CB 4.45Å; F254-I534 HydrophobicContact CE2-CD1 3.57Å; F254-I534 HydrophobicContact CE2-CG1 3.82Å; F254-I534 HydrophobicContact CE2-CG2 3.76Å; F254-I534 HydrophobicContact CG-CG2 4.06Å; F254-I534 HydrophobicContact CZ-CD1 3.61Å; F254-I534 HydrophobicContact CZ-CG1 3.61Å; F254-I534 HydrophobicContact CZ-CG2 4.26Å
255L94.8Very high93.7Very high0 Ų023.1 Ų23.10%011%0.108CC..Hα-helixtrans-63.2-32.6178.2-74.6-166.4000112.3W251 I252 S257 V258 R259 L438 Y439 L442W251-L255 HydrophobicContact CD2-CD1 4.43Å; W251-L255 HydrophobicContact CD2-CG 4.46Å; W251-L255 HydrophobicContact CZ2-CD1 3.87Å; W251-L255 HydrophobicContact CZ2-CD2 4.47Å; W251-L255 HydrophobicContact CZ2-CG 4.36Å; W251-L255 WeakPolarHBondContact O-CB 3.32Å; W251-L255 WeakPolarHBondContact O-CG 3.47Å; W251-L255 PolarHBondContact O-N 3Å; I252-L255 PolarHBondContact O-N 3.31Å; L255-S257 VanDerWaalsContact C-N 3.34Å; L255-V258 HydrophobicContact CD2-CG2 4.28Å; L255-V258 VanDerWaalsContact O-CG2 3.22Å; L255-V258 WeakPolarHBondContact O-CG2 3.3Å; L255-R259 WeakPolarHBondContact O-CB 3.38Å; L255-R259 PolarHBondContact O-N 3.06Å; L255-R259 VanDerWaalsContact O-N 3.1Å; L255-L438 HydrophobicContact CD1-CB 4.36Å; L255-L438 HydrophobicContact CD2-CB 4.02Å; L255-L438 HydrophobicContact CD2-CD1 4.44Å; L255-Y439 HydrophobicContact CB-CD2 4.23Å; L255-L442 HydrophobicContact CB-CD1 4.1Å; L255-L442 HydrophobicContact CD1-CD1 3.52Å; L255-L442 HydrophobicContact CD1-CG 4.08Å; L255-L442 HydrophobicContact CG-CD1 4.48Å
256S95.5Very high93.9Very high4 Ų422.3 Ų22.33%0.02810%0.104CC..Hα-helixtrans-64.3-39.9171.5-60.30000111.2I252 S253 F254 V258 R259 Y260 W347I252-S256 VanDerWaalsContact O-CB 3.28Å; I252-S256 WeakPolarHBondContact O-CB 3.44Å; I252-S256 PolarHBondContact O-N 3.48Å; I252-S256 PolarHBondContact O-OG 3.07Å; S253-S256 PolarHBondContact O-N 2.93Å; F254-S256 PolarHBondContact O-N 2.85Å; S256-V258 PolarHBondContact O-N 3.02Å; S256-R259 PolarHBondContact O-N 2.83Å; S256-Y260 WeakPolarHBondContact O-CB 3.14Å; S256-Y260 WeakPolarHBondContact O-CD2 3.24Å; S256-Y260 PolarHBondContact O-N 2.73Å; S256-W347 PolarHBondContact OG-NE1 3.4Å
257S95.1Very high94.1Very high15 Ų1524.4 Ų24.411%0.10511%0.113CC..Hα-helixtrans-61.7-43.6178.782.20000113.6S253 F254 L255 R259 Y260 W261S253-S257 PolarHBondContact O-N 2.81Å; F254-S257 WeakPolarHBondContact O-CB 3.49Å; F254-S257 PolarHBondContact O-N 3.42Å; F254-S257 PolarHBondContact O-OG 3.43Å; L255-S257 VanDerWaalsContact C-N 3.34Å; S257-R259 VanDerWaalsContact C-N 3.34Å; S257-Y260 PolarHBondContact O-N 3.44Å; S257-W261 PolarHBondContact O-N 3.17Å; S257-W261 VanDerWaalsContact O-N 3.15Å
258V94.9Very high94.5Very high0 Ų024.5 Ų24.50%011%0.113CC..Hα-helixtrans-70.9-34.4177.4-68.60000110.7F254 L255 S256 W261 M262 V432 M433 M436F254-V258 HydrophobicContact CZ-CG1 4.35Å; F254-V258 PolarHBondContact O-N 2.78Å; L255-V258 HydrophobicContact CD2-CG2 4.28Å; L255-V258 VanDerWaalsContact O-CG2 3.22Å; L255-V258 WeakPolarHBondContact O-CG2 3.3Å; S256-V258 PolarHBondContact O-N 3.02Å; V258-W261 PolarHBondContact O-N 3.39Å; V258-M262 PolarHBondContact O-N 3.15Å; V258-V432 HydrophobicContact CG1-CG1 4.19Å; V258-M433 HydrophobicContact CB-CE 4.36Å; V258-M433 HydrophobicContact CB-SD 4.38Å; V258-M433 HydrophobicContact CG1-SD 4.25Å; V258-M436 HydrophobicContact CB-CG 3.8Å; V258-M436 HydrophobicContact CB-SD 3.39Å; V258-M436 WeakPolarHBondContact CB-SD 3.49Å; V258-M436 HydrophobicContact CG2-CG 4.08Å; V258-M436 HydrophobicContact CG2-SD 3.3Å; V258-M436 WeakPolarHBondContact CG2-SD 3.37Å
259R95.6Very high94.9Very high58 Ų5821.6 Ų21.622%0.21910%0.101CC..Hα-helixtrans-65.2-41.7174.6170.964.7-172.1111.5-8.2112.4L255 S256 S257 W261 M262 A263 E267 M436 Y439L255-R259 WeakPolarHBondContact O-CB 3.38Å; L255-R259 PolarHBondContact O-N 3.06Å; L255-R259 VanDerWaalsContact O-N 3.1Å; S256-R259 PolarHBondContact O-N 2.83Å; S257-R259 VanDerWaalsContact C-N 3.34Å; R259-W261 VanDerWaalsContact C-N 3.31Å; R259-M262 PolarHBondContact O-N 2.73Å; R259-A263 VanDerWaalsContact NH1-N 3.2Å; R259-A263 PolarHBondContact O-N 3.27Å; R259-E267 IonicContact CZ-OE1 3.8Å; R259-E267 VanDerWaalsContact CZ-OE1 3.24Å; R259-E267 IonicContact CZ-OE2 2.65Å; R259-E267 IonicContact NH1-OE1 3.34Å; R259-E267 PolarHBondContact NH1-OE1 2.64Å; R259-E267 IonicContact NH1-OE2 3.97Å; R259-E267 IonicContact NH2-OE1 3.71Å; R259-E267 PolarHBondContact NH2-OE1 2.96Å; R259-E267 IonicContact NH2-OE2 3.87Å; R259-E267 PolarHBondContact NH2-OE2 2.82Å; R259-M436 HydrophobicContact CB-CE 4.11Å; R259-M436 HydrophobicContact CB-SD 4.36Å; R259-M436 PolarHBondContact N-SD 2.87Å; R259-Y439 HydrophobicContact CB-CD2 3.81Å; R259-Y439 HydrophobicContact CB-CE1 4.31Å; R259-Y439 HydrophobicContact CB-CE2 3.57Å; R259-Y439 HydrophobicContact CB-CG 4.27Å; R259-Y439 HydrophobicContact CG-CD1 4.48Å; R259-Y439 HydrophobicContact CG-CD2 4.37Å; R259-Y439 HydrophobicContact CG-CE1 3.88Å; R259-Y439 HydrophobicContact CG-CE2 3.76Å; R259-Y439 VanDerWaalsContact CG-CZ 3.47Å; R259-Y439 WeakPolarHBondContact CG-OH 3.24Å
260Y95.8Very high95.3Very high37 Ų3719.1 Ų19.115%0.1459%0.088CC..Hα-helixtrans-58.7-46.4175.6-93.5-128.4000110.1V242 I244 S256 S257 M262 A263 F264 T338 W354V242-Y260 HydrophobicContact CB-CD1 4.49Å; V242-Y260 HydrophobicContact CG1-CD1 4.24Å; V242-Y260 HydrophobicContact CG1-CE1 3.99Å; V242-Y260 WeakPolarHBondContact O-CD1 3.29Å; I244-Y260 HydrophobicContact CD1-CD1 3.62Å; I244-Y260 HydrophobicContact CD1-CD2 4.24Å; I244-Y260 HydrophobicContact CD1-CE1 3.51Å; I244-Y260 HydrophobicContact CD1-CE2 4.15Å; I244-Y260 HydrophobicContact CD1-CG 3.98Å; I244-Y260 HydrophobicContact CG1-CD1 4.15Å; I244-Y260 HydrophobicContact CG1-CD2 4.48Å; I244-Y260 HydrophobicContact CG1-CG 4.13Å; S256-Y260 WeakPolarHBondContact O-CB 3.14Å; S256-Y260 WeakPolarHBondContact O-CD2 3.24Å; S256-Y260 PolarHBondContact O-N 2.73Å; S257-Y260 PolarHBondContact O-N 3.44Å; Y260-M262 VanDerWaalsContact C-N 3.29Å; Y260-M262 PolarHBondContact O-N 3.02Å; Y260-A263 WeakPolarHBondContact O-CB 3.23Å; Y260-A263 PolarHBondContact O-N 3.33Å; Y260-F264 HydrophobicContact CD1-CD2 4.44Å; Y260-F264 AromaticContact CD1-CE2 3.84Å; Y260-F264 HydrophobicContact CD1-CE2 3.84Å; Y260-F264 HydrophobicContact CE1-CE2 4.34Å; Y260-F264 HydrophobicContact CG-CE2 4.42Å; Y260-F264 VanDerWaalsContact O-CD2 3.29Å; Y260-F264 WeakPolarHBondContact O-CD2 3.49Å; Y260-F264 PolarHBondContact O-N 3.22Å; Y260-T338 HydrophobicContact CE1-CG2 4.32Å; Y260-W354 HydrophobicContact CE2-CH2 4.34Å; Y260-W354 HydrophobicContact CE2-CZ3 4.35Å; Y260-W354 WeakPolarHBondContact OH-CH2 3.11Å
261W95.8Very high95.6Very high28 Ų2818.3 Ų18.311%0.1068%0.082CC..Hα-helixtrans-54.4-46.8176.1-17189000111.8S257 V258 R259 A263 F264 N265 I266 A424 L427 R428 M433S257-W261 PolarHBondContact O-N 3.17Å; S257-W261 VanDerWaalsContact O-N 3.15Å; V258-W261 PolarHBondContact O-N 3.39Å; R259-W261 VanDerWaalsContact C-N 3.31Å; W261-A263 PolarHBondContact O-N 3Å; W261-F264 PolarHBondContact O-N 3.48Å; W261-N265 HydrophobicContact CD2-CB 4.05Å; W261-N265 HydrophobicContact CE3-CB 4.33Å; W261-N265 HydrophobicContact CH2-CB 4.19Å; W261-N265 HydrophobicContact CZ2-CB 3.84Å; W261-N265 HydrophobicContact CZ3-CB 4.42Å; W261-N265 VanDerWaalsContact O-CB 3.25Å; W261-N265 WeakPolarHBondContact O-CB 2.99Å; W261-N265 PolarHBondContact O-N 3.41Å; W261-N265 PolarHBondContact O-ND2 2.94Å; W261-I266 HydrophobicContact CH2-CD1 4.2Å; W261-I266 HydrophobicContact CZ3-CD1 4.07Å; W261-I266 HydrophobicContact CZ3-CG1 3.95Å; W261-A424 HydrophobicContact CE3-CB 4.44Å; W261-A424 HydrophobicContact CZ3-CB 3.82Å; W261-L427 HydrophobicContact CH2-CB 4Å; W261-R428 HydrophobicContact CH2-CB 3.98Å; W261-R428 HydrophobicContact CZ2-CB 3.49Å; W261-R428 VanDerWaalsContact CZ2-CB 3.49Å; W261-R428 HydrophobicContact CZ2-CG 3.83Å; W261-M433 HydrophobicContact CB-CE 4.13Å; W261-M433 HydrophobicContact CB-SD 4.16Å; W261-M433 HydrophobicContact CD2-CE 3.87Å; W261-M433 HydrophobicContact CD2-SD 3.98Å; W261-M433 HydrophobicContact CE3-CE 3.34Å; W261-M433 HydrophobicContact CE3-SD 4.03Å; W261-M433 HydrophobicContact CG-CE 4.21Å; W261-M433 HydrophobicContact CG-SD 4.04Å; W261-M433 HydrophobicContact CZ3-CE 4.07Å
262M95.3Very high96Very high20 Ų2015 Ų1510%0.0997%0.069CC..Hα-helixtrans-62.5-40.7175.4-70.7-62.3-6900112.8V258 R259 Y260 I266 E267 A424 M433 M436V258-M262 PolarHBondContact O-N 3.15Å; R259-M262 PolarHBondContact O-N 2.73Å; Y260-M262 VanDerWaalsContact C-N 3.29Å; Y260-M262 PolarHBondContact O-N 3.02Å; M262-I266 HydrophobicContact CE-CB 4.4Å; M262-I266 HydrophobicContact CE-CG1 3.88Å; M262-I266 VanDerWaalsContact O-CB 3.31Å; M262-I266 WeakPolarHBondContact O-CB 3.47Å; M262-I266 PolarHBondContact O-N 3.42Å; M262-I266 VanDerWaalsContact O-N 3.16Å; M262-I266 HydrophobicContact SD-CG1 3.87Å; M262-E267 PolarHBondContact O-N 2.84Å; M262-E267 VanDerWaalsContact O-N 3.15Å; M262-A424 HydrophobicContact CE-CB 4.43Å; M262-A424 HydrophobicContact SD-CB 3.41Å; M262-A424 WeakPolarHBondContact SD-CB 3.33Å; M262-M433 HydrophobicContact CG-CE 3.94Å; M262-M433 HydrophobicContact SD-CE 4.08Å; M262-M436 HydrophobicContact CB-CE 4.12Å; M262-M436 HydrophobicContact CG-CE 3.59Å; M262-M436 HydrophobicContact CG-CG 3.99Å; M262-M436 HydrophobicContact CG-SD 4.19Å
263A95.9Very high96.2Very high16 Ų1618.6 Ų18.613%0.1328%0.082CC..Iπ-helixtrans-61.6-48.7179.700000111.1R259 Y260 W261 E267 R268R259-A263 VanDerWaalsContact NH1-N 3.2Å; R259-A263 PolarHBondContact O-N 3.27Å; Y260-A263 WeakPolarHBondContact O-CB 3.23Å; Y260-A263 PolarHBondContact O-N 3.33Å; W261-A263 PolarHBondContact O-N 3Å; A263-E267 WeakPolarHBondContact O-CB 3.34Å; A263-E267 PolarHBondContact O-N 3.34Å; A263-R268 VanDerWaalsContact O-CG 3.25Å; A263-R268 WeakPolarHBondContact O-CG 3.33Å; A263-R268 PolarHBondContact O-N 3.41Å
264F97.1Very high96.4Very high13 Ų1320.3 Ų20.36%0.0579%0.09CC..Iπ-helixtrans-80.5-50-176.1-73.1-81.7000112.3G240 D241 V242 Y260 W261 I266 R268 A269 S281 Y330G240-F264 VanDerWaalsContact O-CD1 3.32Å; G240-F264 WeakPolarHBondContact O-CD1 3.48Å; G240-F264 WeakPolarHBondContact O-CE1 3.46Å; D241-F264 VanDerWaalsContact OD1-CB 3.31Å; D241-F264 WeakPolarHBondContact OD1-CB 3.43Å; V242-F264 HydrophobicContact CB-CD2 4.34Å; V242-F264 HydrophobicContact CB-CE1 4.07Å; V242-F264 HydrophobicContact CB-CE2 3.6Å; V242-F264 HydrophobicContact CB-CZ 3.42Å; V242-F264 VanDerWaalsContact CB-CZ 3.42Å; V242-F264 HydrophobicContact CG2-CE1 3.76Å; V242-F264 HydrophobicContact CG2-CE2 4.16Å; V242-F264 HydrophobicContact CG2-CZ 3.44Å; V242-F264 VanDerWaalsContact CG2-CZ 3.44Å; Y260-F264 HydrophobicContact CD1-CD2 4.44Å; Y260-F264 AromaticContact CD1-CE2 3.84Å; Y260-F264 HydrophobicContact CD1-CE2 3.84Å; Y260-F264 HydrophobicContact CE1-CE2 4.34Å; Y260-F264 HydrophobicContact CG-CE2 4.42Å; Y260-F264 VanDerWaalsContact O-CD2 3.29Å; Y260-F264 WeakPolarHBondContact O-CD2 3.49Å; Y260-F264 PolarHBondContact O-N 3.22Å; W261-F264 PolarHBondContact O-N 3.48Å; F264-I266 PolarHBondContact O-N 3.37Å; F264-R268 HydrophobicContact CD1-CG 4.32Å; F264-R268 WeakPolarHBondContact O-CB 3.48Å; F264-A269 PolarHBondContact O-N 2.92Å; F264-S281 VanDerWaalsContact CZ-OG 3.29Å; F264-S281 WeakPolarHBondContact CZ-OG 3.17Å; F264-Y330 HydrophobicContact CB-CE2 3.84Å; F264-Y330 HydrophobicContact CD1-CD2 4.1Å; F264-Y330 AromaticContact CD1-CE2 3.74Å; F264-Y330 HydrophobicContact CD1-CE2 3.74Å; F264-Y330 HydrophobicContact CG-CE2 4.26Å; F264-Y330 VanDerWaalsContact O-CE1 3.28Å; F264-Y330 WeakPolarHBondContact O-CE1 3.27Å
265N95.8Very high96.6Very high12 Ų1220.5 Ų20.56%0.0649%0.092CC..Iπ-helixtrans-84.1-14.3-168.9-67-93.6000113.5H68 D241 W261 A269 Y330H68-N265 PolarHBondContact CD2-O 2.88Å; H68-N265 PolarHBondContact CE1-OD1 3Å; H68-N265 PolarHBondContact NE2-O 3.23Å; D241-N265 PolarHBondContact OD1-ND2 3.41Å; W261-N265 HydrophobicContact CD2-CB 4.05Å; W261-N265 HydrophobicContact CE3-CB 4.33Å; W261-N265 HydrophobicContact CH2-CB 4.19Å; W261-N265 HydrophobicContact CZ2-CB 3.84Å; W261-N265 HydrophobicContact CZ3-CB 4.42Å; W261-N265 VanDerWaalsContact O-CB 3.25Å; W261-N265 WeakPolarHBondContact O-CB 2.99Å; W261-N265 PolarHBondContact O-N 3.41Å; W261-N265 PolarHBondContact O-ND2 2.94Å; N265-A269 WeakPolarHBondContact O-CB 3.38Å; N265-Y330 PolarHBondContact OD1-OH 2.9Å
266I95.4Very high96.7Very high3 Ų320.5 Ų20.52%0.0159%0.092CC..Iπ-helixtrans-114.5-63.8174.6-51.5-62.9000110.5Q60 A64 W261 M262 F264 C270 F423 L427Q60-I266 HydrophobicContact CG-CG2 4.22Å; A64-I266 HydrophobicContact CB-CD1 4.46Å; A64-I266 HydrophobicContact CB-CG2 4.38Å; A64-I266 WeakPolarHBondContact CB-O 3.44Å; W261-I266 HydrophobicContact CH2-CD1 4.2Å; W261-I266 HydrophobicContact CZ3-CD1 4.07Å; W261-I266 HydrophobicContact CZ3-CG1 3.95Å; M262-I266 HydrophobicContact CE-CB 4.4Å; M262-I266 HydrophobicContact CE-CG1 3.88Å; M262-I266 VanDerWaalsContact O-CB 3.31Å; M262-I266 WeakPolarHBondContact O-CB 3.47Å; M262-I266 PolarHBondContact O-N 3.42Å; M262-I266 VanDerWaalsContact O-N 3.16Å; M262-I266 HydrophobicContact SD-CG1 3.87Å; F264-I266 PolarHBondContact O-N 3.37Å; I266-C270 VanDerWaalsContact O-CB 3.27Å; I266-C270 WeakPolarHBondContact O-CB 3.35Å; I266-C270 PolarHBondContact O-N 3.49Å; I266-F423 HydrophobicContact CD1-CE1 4.49Å; I266-L427 HydrophobicContact CD1-CD1 3.4Å; I266-L427 VanDerWaalsContact CD1-CD1 3.4Å
267E96.6Very high96.8Very high48 Ų4820.4 Ų20.422%0.2249%0.092CC..Iπ-helixtrans-66.6-53.2-171.9-61.1160.8-149.700111.2R259 M262 A263 C270 Q271R259-E267 IonicContact CZ-OE1 3.8Å; R259-E267 VanDerWaalsContact CZ-OE1 3.24Å; R259-E267 IonicContact CZ-OE2 2.65Å; R259-E267 IonicContact NH1-OE1 3.34Å; R259-E267 PolarHBondContact NH1-OE1 2.64Å; R259-E267 IonicContact NH1-OE2 3.97Å; R259-E267 IonicContact NH2-OE1 3.71Å; R259-E267 PolarHBondContact NH2-OE1 2.96Å; R259-E267 IonicContact NH2-OE2 3.87Å; R259-E267 PolarHBondContact NH2-OE2 2.82Å; M262-E267 PolarHBondContact O-N 2.84Å; M262-E267 VanDerWaalsContact O-N 3.15Å; A263-E267 WeakPolarHBondContact O-CB 3.34Å; A263-E267 PolarHBondContact O-N 3.34Å; E267-C270 PolarHBondContact O-N 3.3Å; E267-Q271 WeakPolarHBondContact O-CG 3.43Å; E267-Q271 PolarHBondContact O-N 3.48Å
268R97.8Very high96.8Very high38 Ų3820.5 Ų20.514%0.1439%0.091CC..Iπ-helixtrans-71-36.2-180-62.4-75.6177.3-104.5-12.7112.6A263 F264 C270 Q271 S272 C279 Y330A263-R268 VanDerWaalsContact O-CG 3.25Å; A263-R268 WeakPolarHBondContact O-CG 3.33Å; A263-R268 PolarHBondContact O-N 3.41Å; F264-R268 HydrophobicContact CD1-CG 4.32Å; F264-R268 WeakPolarHBondContact O-CB 3.48Å; R268-C270 VanDerWaalsContact C-N 3.35Å; R268-C270 PolarHBondContact O-N 3.43Å; R268-Q271 VanDerWaalsContact NH1-CD 3.32Å; R268-Q271 PolarHBondContact O-N 3.13Å; R268-S272 WeakPolarHBondContact O-CB 3.43Å; R268-S272 PolarHBondContact O-N 3.42Å; R268-C279 PolarHBondContact NE-O 3.03Å; R268-C279 VanDerWaalsContact NE-O 3.11Å; R268-Y330 HydrophobicContact CB-CD1 4.4Å; R268-Y330 HydrophobicContact CB-CD2 4.31Å; R268-Y330 HydrophobicContact CB-CG 4.05Å
269A97.8Very high96.9Very high0 Ų021.1 Ų21.10%09%0.094CC..Hα-helixtrans-59.8-44.4173.100000112A64 E67 F264 N265 S272 Y273 Y330A64-A269 HydrophobicContact CB-CB 3.93Å; E67-A269 WeakPolarHBondContact CB-O 3.34Å; E67-A269 WeakPolarHBondContact CG-O 3.32Å; F264-A269 PolarHBondContact O-N 2.92Å; N265-A269 WeakPolarHBondContact O-CB 3.38Å; A269-S272 WeakPolarHBondContact O-CB 3.11Å; A269-S272 PolarHBondContact O-N 3.36Å; A269-Y273 PolarHBondContact O-N 3.16Å; A269-Y330 HydrophobicContact CB-CD1 4.11Å; A269-Y330 HydrophobicContact CB-CE1 4.01Å
270C98.1Very high97Very high0 Ų018.4 Ų18.40%08%0.084CC..Hα-helixtrans-63-45.5174.6178.70000112.1Q60 F63 A64 I266 E267 R268 S272 Y273 F274 W375Q60-C270 HydrophobicContact CG-CB 3.77Å; Q60-C270 WeakPolarHBondContact O-CB 3.32Å; F63-C270 HydrophobicContact CB-CB 4.48Å; A64-C270 HydrophobicContact CB-CB 4.27Å; I266-C270 VanDerWaalsContact O-CB 3.27Å; I266-C270 WeakPolarHBondContact O-CB 3.35Å; I266-C270 PolarHBondContact O-N 3.49Å; E267-C270 PolarHBondContact O-N 3.3Å; R268-C270 VanDerWaalsContact C-N 3.35Å; R268-C270 PolarHBondContact O-N 3.43Å; C270-S272 VanDerWaalsContact C-N 3.27Å; C270-S272 PolarHBondContact O-N 3.1Å; C270-Y273 VanDerWaalsContact O-CB 3.29Å; C270-Y273 WeakPolarHBondContact O-CB 3.33Å; C270-Y273 PolarHBondContact O-N 2.77Å; C270-F274 WeakPolarHBondContact O-CD2 3.32Å; C270-F274 PolarHBondContact O-N 2.83Å; C270-W375 WeakPolarHBondContact SG-CZ2 3.45Å
271Q98.3Very high96.9Very high6 Ų617.9 Ų17.93%0.0289%0.086CC..Hα-helixtrans-60.9-38.1175.2-68.7169.17.900112.2E267 R268 F274 G275 C276 V277 E379E267-Q271 WeakPolarHBondContact O-CG 3.43Å; E267-Q271 PolarHBondContact O-N 3.48Å; R268-Q271 VanDerWaalsContact NH1-CD 3.32Å; R268-Q271 PolarHBondContact O-N 3.13Å; Q271-F274 CarbonylContact O-C 3.55Å; Q271-F274 PolarHBondContact O-N 3.35Å; Q271-G275 PolarHBondContact O-N 3.24Å; Q271-C276 PolarHBondContact O-N 2.87Å; Q271-V277 HydrophobicContact CB-CG2 3.97Å; Q271-E379 VanDerWaalsContact CD-OE2 3.29Å; Q271-E379 VanDerWaalsContact CG-OE2 3.31Å; Q271-E379 WeakPolarHBondContact CG-OE2 3.31Å; Q271-E379 PolarHBondContact NE2-OE1 3Å; Q271-E379 PolarHBondContact NE2-OE2 3.37Å
272S98.3Very high96.6Very high0 Ų016.5 Ų16.50%08%0.081CC..Hα-helixtrans-62.9-41.3176.5-173.70000111.6E67 R268 A269 C270 F274 G275 K329 Y330E67-S272 WeakPolarHBondContact OE1-CB 3.47Å; E67-S272 PolarHBondContact OE1-OG 3.27Å; R268-S272 WeakPolarHBondContact O-CB 3.43Å; R268-S272 PolarHBondContact O-N 3.42Å; A269-S272 WeakPolarHBondContact O-CB 3.11Å; A269-S272 PolarHBondContact O-N 3.36Å; C270-S272 VanDerWaalsContact C-N 3.27Å; C270-S272 PolarHBondContact O-N 3.1Å; S272-F274 PolarHBondContact O-N 2.91Å; S272-F274 VanDerWaalsContact O-N 3.16Å; S272-G275 PolarHBondContact O-N 2.69Å; S272-K329 WeakPolarHBondContact O-CD 3.4Å; S272-K329 WeakPolarHBondContact O-CE 3.37Å; S272-K329 PolarHBondContact O-NZ 2.9Å; S272-K329 VanDerWaalsContact OG-CD 3.29Å; S272-K329 WeakPolarHBondContact OG-CD 3.45Å; S272-Y330 PolarHBondContact OG-N 3.14Å; S272-Y330 PolarHBondContact OG-O 3.07Å; S272-Y330 VanDerWaalsContact OG-O 3.13Å
273Y98.1Very high96.6Very high91 Ų9116.2 Ų16.236%0.3578%0.08SC..Hα-helixtrans-49.6-45.6174-171-94.7000111.5F63 L66 E67 A269 C270F63-Y273 HydrophobicContact CB-CD1 4.31Å; F63-Y273 HydrophobicContact CB-CG 4.31Å; F63-Y273 AromaticContact CD1-CD1 3.38Å; F63-Y273 HydrophobicContact CD1-CD1 3.38Å; F63-Y273 HydrophobicContact CD1-CD2 4.44Å; F63-Y273 AromaticContact CD1-CE1 3.28Å; F63-Y273 HydrophobicContact CD1-CE1 3.28Å; F63-Y273 HydrophobicContact CD1-CE2 4.35Å; F63-Y273 AromaticContact CD1-CG 3.98Å; F63-Y273 HydrophobicContact CD1-CG 3.98Å; F63-Y273 AromaticContact CD1-CZ 3.8Å; F63-Y273 AromaticContact CE1-CD1 3.98Å; F63-Y273 HydrophobicContact CE1-CD1 3.98Å; F63-Y273 AromaticContact CE1-CE1 3.46Å; F63-Y273 HydrophobicContact CE1-CE1 3.46Å; F63-Y273 VanDerWaalsContact CE1-CE1 3.46Å; F63-Y273 AromaticContact CE1-CZ 3.99Å; F63-Y273 HydrophobicContact CG-CD1 4.11Å; F63-Y273 HydrophobicContact CG-CE1 4.39Å; L66-Y273 HydrophobicContact CB-CD2 4.1Å; L66-Y273 HydrophobicContact CB-CE2 3.79Å; L66-Y273 HydrophobicContact CD1-CE2 4.38Å; E67-Y273 HydrophobicContact CB-CD2 4.23Å; E67-Y273 WeakPolarHBondContact OE2-CA 3.39Å; A269-Y273 PolarHBondContact O-N 3.16Å; C270-Y273 VanDerWaalsContact O-CB 3.29Å; C270-Y273 WeakPolarHBondContact O-CB 3.33Å; C270-Y273 PolarHBondContact O-N 2.77Å
274F98.1Very high96.7Very high35 Ų3515.4 Ų15.415%0.1547%0.074CC..THydrogen-bonded Turntrans-86.41.6178.5-63-66.9000115.1F63 C270 Q271 S272 C276 H373 W375F63-F274 HydrophobicContact CB-CE2 4.07Å; F63-F274 HydrophobicContact CB-CZ 4.5Å; F63-F274 HydrophobicContact CD1-CE2 4.26Å; F63-F274 AromaticContact CD1-CZ 3.86Å; F63-F274 HydrophobicContact CD1-CZ 3.86Å; F63-F274 AromaticContact CD2-CE2 3.74Å; F63-F274 HydrophobicContact CD2-CE2 3.74Å; F63-F274 AromaticContact CD2-CZ 3.59Å; F63-F274 HydrophobicContact CD2-CZ 3.59Å; F63-F274 HydrophobicContact CE1-CE1 4.43Å; F63-F274 AromaticContact CE1-CZ 3.9Å; F63-F274 HydrophobicContact CE1-CZ 3.9Å; F63-F274 HydrophobicContact CE2-CE2 4.23Å; F63-F274 AromaticContact CE2-CZ 3.62Å; F63-F274 HydrophobicContact CE2-CZ 3.62Å; F63-F274 AromaticContact CG-CE2 3.76Å; F63-F274 HydrophobicContact CG-CE2 3.76Å; F63-F274 AromaticContact CG-CZ 3.72Å; F63-F274 HydrophobicContact CG-CZ 3.72Å; F63-F274 HydrophobicContact CZ-CE1 4.47Å; F63-F274 AromaticContact CZ-CZ 3.78Å; F63-F274 HydrophobicContact CZ-CZ 3.78Å; C270-F274 WeakPolarHBondContact O-CD2 3.32Å; C270-F274 PolarHBondContact O-N 2.83Å; Q271-F274 CarbonylContact O-C 3.55Å; Q271-F274 PolarHBondContact O-N 3.35Å; S272-F274 PolarHBondContact O-N 2.91Å; S272-F274 VanDerWaalsContact O-N 3.16Å; F274-C276 VanDerWaalsContact C-N 3.3Å; F274-C276 PolarHBondContact O-N 3.06Å; F274-H373 HydrophobicContact CB-CB 4.18Å; F274-H373 AromaticContact CD1-CE1 3.23Å; F274-H373 WeakPolarHBondContact CD1-CE1 3.24Å; F274-H373 AromaticContact CD1-CG 3.68Å; F274-H373 AromaticContact CD1-ND1 3.15Å; F274-H373 WeakPolarHBondContact CD1-ND1 3.19Å; F274-H373 AromaticContact CD1-NE2 3.76Å; F274-H373 AromaticContact CE1-CE1 3.26Å; F274-H373 WeakPolarHBondContact CE1-CE1 3.25Å; F274-H373 AromaticContact CE1-ND1 3.66Å; F274-H373 AromaticContact CE1-NE2 3.86Å; F274-H373 AromaticContact CG-ND1 3.69Å; F274-W375 HydrophobicContact CB-CB 4.11Å; F274-W375 HydrophobicContact CB-CG 4.44Å; F274-W375 HydrophobicContact CD1-CB 4.13Å; F274-W375 HydrophobicContact CD2-CB 3.51Å; F274-W375 AromaticContact CD2-CD1 3.41Å; F274-W375 VanDerWaalsContact CD2-CD1 3.41Å; F274-W375 AromaticContact CD2-CD2 3.76Å; F274-W375 HydrophobicContact CD2-CD2 3.76Å; F274-W375 AromaticContact CD2-CG 3.23Å; F274-W375 HydrophobicContact CD2-CG 3.23Å; F274-W375 AromaticContact CD2-NE1 3.98Å; F274-W375 HydrophobicContact CE1-CB 4.43Å; F274-W375 HydrophobicContact CE2-CB 3.85Å; F274-W375 AromaticContact CE2-CD1 3.99Å; F274-W375 AromaticContact CE2-CD2 3.5Å; F274-W375 HydrophobicContact CE2-CD2 3.5Å; F274-W375 VanDerWaalsContact CE2-CD2 3.5Å; F274-W375 AromaticContact CE2-CE3 3.86Å; F274-W375 HydrophobicContact CE2-CE3 3.86Å; F274-W375 AromaticContact CE2-CG 3.48Å; F274-W375 HydrophobicContact CE2-CG 3.48Å; F274-W375 VanDerWaalsContact CE2-CG 3.48Å; F274-W375 HydrophobicContact CG-CB 3.65Å; F274-W375 AromaticContact CG-CG 3.89Å; F274-W375 HydrophobicContact CG-CG 3.89Å; F274-W375 HydrophobicContact CZ-CB 4.29Å; F274-W375 HydrophobicContact CZ-CD2 4.32Å; F274-W375 HydrophobicContact CZ-CE3 4.3Å; F274-W375 HydrophobicContact CZ-CG 4.32Å
275G97.9Very high96.8Very high6 Ų614.8 Ų14.86%0.0627%0.071CC..THydrogen-bonded Turntrans6923178.300000114.6Q271 S272 A327 T328Q271-G275 PolarHBondContact O-N 3.24Å; S272-G275 PolarHBondContact O-N 2.69Å; G275-A327 VanDerWaalsContact O-CA 3.26Å; G275-A327 WeakPolarHBondContact O-CA 3.23Å; G275-A327 WeakPolarHBondContact O-CB 3.38Å; G275-T328 CarbonylContact C-O 3.5Å; G275-T328 PolarHBondContact O-N 2.88Å
276C97.4Very high96.9Very high0 Ų014.2 Ų14.20%07%0.068CC..BIsolated β-bridgetrans-127.240.7-171.368.90000112.7Q271 F274 Q278 T328 M376Q271-C276 PolarHBondContact O-N 2.87Å; F274-C276 VanDerWaalsContact C-N 3.3Å; F274-C276 PolarHBondContact O-N 3.06Å; C276-Q278 WeakPolarHBondContact O-CG 3.46Å; C276-Q278 PolarHBondContact O-N 3.2Å; C276-T328 PolarHBondContact N-O 2.93Å; C276-M376 HydrophobicContact CB-CB 3.99Å; C276-M376 HydrophobicContact CB-CG 4.11Å; C276-M376 HydrophobicContact CB-SD 4.15Å
277V98.2Very high97Very high2 Ų214.1 Ų14.11%0.0127%0.068CC..  trans-58112.7174.3171.80000109.7Q271 C279 I280 T318 T328Q271-V277 HydrophobicContact CB-CG2 3.97Å; V277-C279 VanDerWaalsContact C-N 3.29Å; V277-C279 PolarHBondContact O-N 2.68Å; V277-I280 HydrophobicContact CG1-CG1 4.19Å; V277-T318 WeakPolarHBondContact O-CG2 3.34Å; V277-T328 WeakPolarHBondContact CA-OG1 3.41Å; V277-T328 PolarHBondContact N-O 3.05Å; V277-T328 PolarHBondContact N-OG1 2.94Å; V277-T328 WeakPolarHBondContact O-CB 3.21Å; V277-T328 PolarHBondContact O-OG1 2.98Å
278Q95.1Very high97.1Very high18 Ų1813.6 Ų13.68%0.0846%0.063CC..SBendtrans-81.1-10.5-170.9-57.1-170.550.200113.4C276 M376 E379C276-Q278 WeakPolarHBondContact O-CG 3.46Å; C276-Q278 PolarHBondContact O-N 3.2Å; Q278-M376 HydrophobicContact CG-CE 4.14Å; Q278-E379 PolarHBondContact NE2-OE2 2.79Å
279C96.1Very high97.1Very high12 Ų1211.8 Ų11.88%0.0816%0.057CC..  trans-155.9103.7179.5-1730000109.7R268 V277 R315R268-C279 PolarHBondContact NE-O 3.03Å; R268-C279 VanDerWaalsContact NE-O 3.11Å; V277-C279 VanDerWaalsContact C-N 3.29Å; V277-C279 PolarHBondContact O-N 2.68Å; C279-R315 HydrophobicContact CB-CB 4.42Å; C279-R315 HydrophobicContact CB-CG 4.11Å
280I97.8Very high97Very high1 Ų115.2 Ų15.21%0.0058%0.081CC..  trans-77.8121.9163.4-66.4165.9000106.5G237 V277 G285 Y287 D314 T318 T328G237-I280 VanDerWaalsContact C-CD1 3.48Å; V277-I280 HydrophobicContact CG1-CG1 4.19Å; I280-G285 VanDerWaalsContact CG2-CA 3.4Å; I280-Y287 WeakPolarHBondContact CB-OH 3.42Å; I280-Y287 HydrophobicContact CD1-CE1 3.79Å; I280-Y287 HydrophobicContact CG2-CE2 4.36Å; I280-D314 WeakPolarHBondContact O-CB 3.34Å; I280-T318 HydrophobicContact CD1-CG2 4.27Å; I280-T318 HydrophobicContact CG1-CG2 4.14Å; I280-T318 PolarHBondContact N-OG1 2.9Å; I280-T328 HydrophobicContact CD1-CG2 4.22Å
281S94.3Very high97Very high26 Ų2615.7 Ų15.718%0.1828%0.083CC..  trans-77.7139.6-171.5-59.40000111.8F264 P283 L284F264-S281 VanDerWaalsContact CZ-OG 3.29Å; F264-S281 WeakPolarHBondContact CZ-OG 3.17Å; S281-P283 VanDerWaalsContact C-CD 3.43Å; S281-L284 CarbonylContact O-C 3.55Å; S281-L284 PolarHBondContact O-N 2.91Å; S281-L284 VanDerWaalsContact O-N 3.13Å
282G90.5Very high96.8Very high0 Ų015.5 Ų15.50%08%0.082CC..THydrogen-bonded Turntrans-52.1-37.7-17900000116.6V210 C211 L284 D314V210-G282 CarbonylContact C-O 3.59Å; C211-G282 WeakPolarHBondContact CA-O 3.39Å; G282-L284 PolarHBondContact O-N 2.75Å; G282-D314 WeakPolarHBondContact CA-OD1 3.46Å; G282-D314 WeakPolarHBondContact CA-OD2 3.44Å; G282-D314 PolarHBondContact N-OD2 2.75Å
283P95.1Very high96.5Very high13 Ų1317.5 Ų17.58%0.0849%0.092CC..THydrogen-bonded Turntrans-58.1-30.8177-32.539.2000115D212 T215 V242 S281 T338D212-P283 WeakPolarHBondContact OD2-CD 3.35Å; T215-P283 HydrophobicContact CG2-CB 3.87Å; T215-P283 WeakPolarHBondContact OG1-CB 3.35Å; V242-P283 HydrophobicContact CG1-CB 4Å; V242-P283 HydrophobicContact CG1-CG 4.19Å; V242-P283 HydrophobicContact CG2-CB 4.12Å; S281-P283 VanDerWaalsContact C-CD 3.43Å; P283-T338 HydrophobicContact CG-CG2 4.44Å
284L97.3Very high96.4Very high0 Ų018.7 Ų18.70%010%0.1CC..SBendtrans-156.485.3-174.9-174.759.9000111.4L217 M225 G239 G240 V242 S281 G282 K335 C336L217-L284 HydrophobicContact CD2-CD1 3.82Å; M225-L284 HydrophobicContact CE-CD1 3.43Å; M225-L284 VanDerWaalsContact CE-CD1 3.43Å; M225-L284 HydrophobicContact CE-CG 4.26Å; M225-L284 HydrophobicContact SD-CD1 4.02Å; M225-L284 HydrophobicContact SD-CG 4.21Å; G239-L284 WeakPolarHBondContact CA-O 3.47Å; G240-L284 PolarHBondContact N-O 3.24Å; V242-L284 HydrophobicContact CG2-CB 4.25Å; S281-L284 CarbonylContact O-C 3.55Å; S281-L284 PolarHBondContact O-N 2.91Å; S281-L284 VanDerWaalsContact O-N 3.13Å; G282-L284 PolarHBondContact O-N 2.75Å; L284-K335 VanDerWaalsContact CD2-C 3.47Å; L284-C336 HydrophobicContact CB-CB 4.29Å; L284-C336 VanDerWaalsContact CB-SG 3.6Å; L284-C336 HydrophobicContact CD2-CB 3.89Å
285G98Very high96.3Very high0 Ų017.1 Ų17.10%09%0.094CC..EExtended strand (participates in β ladder)trans-136.2148.7175.300000112.1Q209 V210 V238 I280Q209-G285 CarbonylContact C-O 3.19Å; Q209-G285 VanDerWaalsContact CA-O 3.24Å; Q209-G285 WeakPolarHBondContact CA-O 3.23Å; Q209-G285 WeakPolarHBondContact CG-O 3.37Å; V210-G285 PolarHBondContact N-O 2.82Å; V210-G285 PolarHBondContact O-N 2.89Å; V238-G285 CarbonylContact O-C 3.56Å; V238-G285 WeakPolarHBondContact O-CA 3.33Å; I280-G285 VanDerWaalsContact CG2-CA 3.4Å
286M98.5Very high96.2Very high0 Ų017.1 Ų17.10%09%0.092CC..EExtended strand (participates in β ladder)trans-136.8138.5175.2-174.8-177.9-77.500110.6V85 Y207 V208 Q209 M225 V226 L229 G237 V238V85-M286 HydrophobicContact CG1-CE 3.86Å; Y207-M286 HydrophobicContact CG-SD 4.3Å; V208-M286 CarbonylContact O-C 3.57Å; V208-M286 WeakPolarHBondContact O-CA 3.36Å; Q209-M286 HydrophobicContact CB-CB 4.45Å; Q209-M286 HydrophobicContact CB-CE 3.89Å; Q209-M286 HydrophobicContact CB-CG 4.43Å; Q209-M286 HydrophobicContact CG-CE 4.31Å; M225-M286 HydrophobicContact CB-CB 4.06Å; M225-M286 HydrophobicContact CB-CE 3.99Å; M225-M286 HydrophobicContact CB-SD 3.75Å; M225-M286 HydrophobicContact CE-CB 4.15Å; M225-M286 HydrophobicContact CE-CE 4Å; M225-M286 HydrophobicContact CG-CB 4.48Å; M225-M286 HydrophobicContact SD-CB 3.74Å; V226-M286 HydrophobicContact CG2-CE 3.96Å; V226-M286 HydrophobicContact CG2-SD 3.65Å; L229-M286 HydrophobicContact CD1-CB 4.39Å; L229-M286 HydrophobicContact CD1-CG 3.77Å; L229-M286 HydrophobicContact CD1-SD 3.8Å; G237-M286 CarbonylContact C-O 3.48Å; G237-M286 VanDerWaalsContact CA-O 3.23Å; G237-M286 WeakPolarHBondContact CA-O 3.47Å; V238-M286 HydrophobicContact CG1-CB 4.03Å; V238-M286 PolarHBondContact N-O 2.94Å; V238-M286 PolarHBondContact O-N 3.36Å
287Y98.6Very high96.1Very high1 Ų120.4 Ų20.40%0.00411%0.107CC..EExtended strand (participates in β ladder)trans-130.7149-174.6-60.5-91000110.9Y207 V208 V210 I280 N289 L292 L317 T318 V321Y207-Y287 WeakPolarHBondContact CA-O 3.41Å; V208-Y287 PolarHBondContact N-O 3.14Å; V208-Y287 PolarHBondContact O-N 3.21Å; V210-Y287 HydrophobicContact CG2-CE2 4.1Å; I280-Y287 WeakPolarHBondContact CB-OH 3.42Å; I280-Y287 HydrophobicContact CD1-CE1 3.79Å; I280-Y287 HydrophobicContact CG2-CE2 4.36Å; Y287-N289 PolarHBondContact O-N 3.16Å; Y287-L292 HydrophobicContact CG-CD2 4.31Å; Y287-L317 HydrophobicContact CD2-CD2 3.9Å; Y287-L317 HydrophobicContact CE1-CD2 4.09Å; Y287-L317 HydrophobicContact CE1-CG 4.09Å; Y287-L317 HydrophobicContact CE2-CD2 3.39Å; Y287-L317 HydrophobicContact CE2-CG 4.28Å; Y287-L317 HydrophobicContact CG-CD2 4.45Å; Y287-L317 VanDerWaalsContact CZ-CD2 3.48Å; Y287-T318 PolarHBondContact OH-OG1 2.98Å; Y287-V321 HydrophobicContact CD1-CG2 3.83Å; Y287-V321 HydrophobicContact CE1-CG2 4.08Å
288R98.3Very high95.8Very high36 Ų3624.6 Ų24.614%0.13613%0.13CC..EExtended strand (participates in β ladder)trans-63120.3165.9-75.4-176.4-171.7-70.3-0.9109.3Y207 L229 D232 V235 G236 S290 L291 L292Y207-R288 HydrophobicContact CD1-CG 4.31Å; Y207-R288 HydrophobicContact CE1-CG 3.78Å; Y207-R288 PolarHBondContact OH-NH1 3.26Å; L229-R288 PolarHBondContact O-NH2 3.02Å; D232-R288 PolarHBondContact O-NH2 2.94Å; V235-R288 PolarHBondContact O-NE 3.39Å; V235-R288 PolarHBondContact O-NH2 3.15Å; G236-R288 PolarHBondContact O-N 3.48Å; R288-S290 VanDerWaalsContact C-N 3.26Å; R288-S290 PolarHBondContact O-N 3.21Å; R288-L291 HydrophobicContact CB-CB 4.28Å; R288-L291 HydrophobicContact CB-CD1 4.04Å; R288-L291 HydrophobicContact CB-CG 3.96Å; R288-L291 PolarHBondContact O-N 3.29Å; R288-L291 VanDerWaalsContact O-N 3.13Å; R288-L292 PolarHBondContact O-N 2.94Å; R288-L292 VanDerWaalsContact O-N 3.13Å
289N97.7Very high95.8Very high1 Ų123.8 Ų23.81%0.00513%0.126CC..Hα-helixtrans-64.1-36.8-179.8-168.230.4000111.4G202 V205 D206 V208 Y287 L291 L292 H293G202-N289 PolarHBondContact O-ND2 3.1Å; V205-N289 HydrophobicContact CG2-CB 4.37Å; V205-N289 WeakPolarHBondContact O-CB 3.41Å; V205-N289 PolarHBondContact O-ND2 2.99Å; D206-N289 VanDerWaalsContact O-CB 3.32Å; D206-N289 WeakPolarHBondContact O-CB 3.29Å; D206-N289 PolarHBondContact O-N 3.4Å; V208-N289 HydrophobicContact CG2-CB 3.99Å; V208-N289 WeakPolarHBondContact CG2-OD1 3.37Å; Y287-N289 PolarHBondContact O-N 3.16Å; N289-L291 PolarHBondContact O-N 2.98Å; N289-L292 PolarHBondContact O-N 3.32Å; N289-L292 VanDerWaalsContact O-N 3.14Å; N289-H293 PolarHBondContact O-CD2 2.93Å; N289-H293 VanDerWaalsContact O-CD2 3.22Å; N289-H293 PolarHBondContact O-N 2.68Å; N289-H293 PolarHBondContact OD1-CD2 3.47Å; N289-H293 VanDerWaalsContact OD1-CD2 3.26Å; N289-H293 PolarHBondContact OD1-NE2 3.27Å; N289-H293 VanDerWaalsContact OD1-NE2 3.09Å
290S96.4Very high95.6Very high71 Ų7125 Ų2550%0.49713%0.129SC..Hα-helixtrans-53.9-37.3174.856.10000112.8R288 E294R288-S290 VanDerWaalsContact C-N 3.26Å; R288-S290 PolarHBondContact O-N 3.21Å; S290-E294 WeakPolarHBondContact O-CG 3.41Å
291L96.3Very high95.3Very high11 Ų1128.7 Ų28.76%0.05815%0.149CC..Hα-helixtrans-79.1-39.2177.3-61.5-179.3000112.7G236 R288 N289 H293 E294 F295 Y326G236-L291 VanDerWaalsContact CA-CD1 3.47Å; R288-L291 HydrophobicContact CB-CB 4.28Å; R288-L291 HydrophobicContact CB-CD1 4.04Å; R288-L291 HydrophobicContact CB-CG 3.96Å; R288-L291 PolarHBondContact O-N 3.29Å; R288-L291 VanDerWaalsContact O-N 3.13Å; N289-L291 PolarHBondContact O-N 2.98Å; L291-H293 PolarHBondContact O-N 3.04Å; L291-E294 WeakPolarHBondContact O-CB 3.37Å; L291-E294 PolarHBondContact O-N 2.74Å; L291-F295 HydrophobicContact CB-CE1 4.23Å; L291-F295 WeakPolarHBondContact O-CD1 3.42Å; L291-F295 WeakPolarHBondContact O-CE1 3.49Å; L291-Y326 HydrophobicContact CD1-CD1 3.64Å; L291-Y326 HydrophobicContact CD1-CD2 3.86Å; L291-Y326 HydrophobicContact CD1-CE1 3.88Å; L291-Y326 HydrophobicContact CD1-CE2 4.08Å; L291-Y326 HydrophobicContact CD1-CG 3.64Å; L291-Y326 HydrophobicContact CD2-CD2 4Å; L291-Y326 HydrophobicContact CD2-CE1 4.11Å; L291-Y326 HydrophobicContact CD2-CE2 3.45Å; L291-Y326 VanDerWaalsContact CD2-CE2 3.45Å; L291-Y326 HydrophobicContact CG-CE2 4.43Å
292L95.4Very high95.1Very high1 Ų128 Ų281%0.00514%0.143CC..Hα-helixtrans-53.2-44177.8-76.9171.8000111.2F198 V208 Y287 R288 N289 E294 F295 V296 L317F198-L292 HydrophobicContact CE2-CD2 4.47Å; V208-L292 HydrophobicContact CB-CD1 3.61Å; V208-L292 HydrophobicContact CG1-CD1 4.19Å; V208-L292 HydrophobicContact CG2-CD1 3.83Å; Y287-L292 HydrophobicContact CG-CD2 4.31Å; R288-L292 PolarHBondContact O-N 2.94Å; R288-L292 VanDerWaalsContact O-N 3.13Å; N289-L292 PolarHBondContact O-N 3.32Å; N289-L292 VanDerWaalsContact O-N 3.14Å; L292-E294 PolarHBondContact O-N 3.23Å; L292-F295 HydrophobicContact CD2-CE2 3.86Å; L292-F295 HydrophobicContact CD2-CZ 3.74Å; L292-F295 HydrophobicContact CG-CZ 4.47Å; L292-F295 PolarHBondContact O-N 3.24Å; L292-F295 VanDerWaalsContact O-N 3.14Å; L292-V296 WeakPolarHBondContact O-CB 3.44Å; L292-V296 PolarHBondContact O-N 2.86Å; L292-L317 HydrophobicContact CD2-CD1 3.74Å; L292-L317 HydrophobicContact CD2-CD2 4.34Å; L292-L317 HydrophobicContact CD2-CG 4.21Å
293H92.6Very high95Very high43 Ų4333.7 Ų33.720%0.19917%0.17CC..Hα-helixtrans-66.5-21.4179.3-76.5-70.3000114.5F198 G202 N289 L291 F295F198-H293 PolarHBondContact O-CE1 3Å; G202-H293 VanDerWaalsContact C-CE1 3.49Å; G202-H293 VanDerWaalsContact CA-CE1 3.47Å; G202-H293 WeakPolarHBondContact CA-CE1 3.31Å; G202-H293 PolarHBondContact O-NE2 2.92Å; N289-H293 PolarHBondContact O-CD2 2.93Å; N289-H293 VanDerWaalsContact O-CD2 3.22Å; N289-H293 PolarHBondContact O-N 2.68Å; N289-H293 PolarHBondContact OD1-CD2 3.47Å; N289-H293 VanDerWaalsContact OD1-CD2 3.26Å; N289-H293 PolarHBondContact OD1-NE2 3.27Å; N289-H293 VanDerWaalsContact OD1-NE2 3.09Å; L291-H293 PolarHBondContact O-N 3.04Å; H293-F295 VanDerWaalsContact C-N 3.27Å; H293-F295 PolarHBondContact O-N 3.49Å
294E95.9Very high94.5Very high116 Ų11634.8 Ų34.854%0.54217%0.173SC..Hα-helixtrans-75.6-17.7176-58.9-57.2131.200112.4R203 S290 L291 L292 L324R203-E294 IonicContact NH2-OE1 3.85Å; R203-E294 PolarHBondContact NH2-OE1 2.97Å; R203-E294 VanDerWaalsContact NH2-OE1 3.14Å; S290-E294 WeakPolarHBondContact O-CG 3.41Å; L291-E294 WeakPolarHBondContact O-CB 3.37Å; L291-E294 PolarHBondContact O-N 2.74Å; L292-E294 PolarHBondContact O-N 3.23Å; E294-L324 HydrophobicContact CB-CD1 4.33Å
295F95.3Very high93.9Very high2 Ų241.2 Ų41.21%0.00921%0.205CC..Hα-helixtrans-136.81.6-175.665.5-110.3000115.9L291 L292 H293 E297 D298 W299 L317 R320 V321 L324L291-F295 HydrophobicContact CB-CE1 4.23Å; L291-F295 WeakPolarHBondContact O-CD1 3.42Å; L291-F295 WeakPolarHBondContact O-CE1 3.49Å; L292-F295 HydrophobicContact CD2-CE2 3.86Å; L292-F295 HydrophobicContact CD2-CZ 3.74Å; L292-F295 HydrophobicContact CG-CZ 4.47Å; L292-F295 PolarHBondContact O-N 3.24Å; L292-F295 VanDerWaalsContact O-N 3.14Å; H293-F295 VanDerWaalsContact C-N 3.27Å; H293-F295 PolarHBondContact O-N 3.49Å; F295-E297 VanDerWaalsContact C-N 3.26Å; F295-E297 PolarHBondContact O-N 3.25Å; F295-D298 PolarHBondContact O-N 3.36Å; F295-D298 VanDerWaalsContact O-N 3.15Å; F295-W299 HydrophobicContact CD2-CB 4.05Å; F295-W299 WeakPolarHBondContact O-CB 3.4Å; F295-W299 PolarHBondContact O-N 3.15Å; F295-L317 HydrophobicContact CE2-CD1 3.67Å; F295-L317 HydrophobicContact CE2-CG 4.41Å; F295-L317 HydrophobicContact CZ-CD1 4.38Å; F295-R320 HydrophobicContact CB-CB 4.24Å; F295-R320 HydrophobicContact CD1-CB 4.01Å; F295-R320 HydrophobicContact CD2-CB 3.42Å; F295-R320 VanDerWaalsContact CD2-CB 3.42Å; F295-R320 HydrophobicContact CD2-CG 3.88Å; F295-R320 HydrophobicContact CE1-CB 4.16Å; F295-R320 HydrophobicContact CE2-CB 3.61Å; F295-R320 HydrophobicContact CE2-CG 4.34Å; F295-R320 HydrophobicContact CG-CB 3.64Å; F295-R320 HydrophobicContact CG-CG 4.29Å; F295-R320 HydrophobicContact CZ-CB 3.97Å; F295-V321 HydrophobicContact CE1-CG2 3.91Å; F295-V321 HydrophobicContact CZ-CG2 3.78Å; F295-L324 HydrophobicContact CD1-CD1 3.76Å; F295-L324 HydrophobicContact CE1-CD1 4.35Å
296V95.4Very high93Very high6 Ų644.2 Ų44.24%0.03624%0.235CC..Hα-helixtrans-57.2-38.8-174.565.30000112.5Y195 F198 K199 L292 W299 Y300Y195-V296 HydrophobicContact CD2-CG2 3.86Å; Y195-V296 HydrophobicContact CE2-CG2 4.11Å; F198-V296 HydrophobicContact CB-CG2 4.14Å; F198-V296 HydrophobicContact CD2-CG2 4.16Å; K199-V296 HydrophobicContact CD-CG1 4.38Å; L292-V296 WeakPolarHBondContact O-CB 3.44Å; L292-V296 PolarHBondContact O-N 2.86Å; V296-W299 HydrophobicContact CG2-CE3 4.31Å; V296-W299 PolarHBondContact O-N 3.47Å; V296-Y300 WeakPolarHBondContact O-CB 3.16Å; V296-Y300 PolarHBondContact O-N 2.96Å
297E94.6Very high92.1Very high68 Ų6847.1 Ų47.132%0.31826%0.256SS..Hα-helixtrans-67.1-46.4177.5-58.7-55.2152.800111.7Y195 K199 F295 W299 Y300 N301Y195-E297 PolarHBondContact OH-OE1 3.18Å; Y195-E297 PolarHBondContact OH-OE2 2.99Å; K199-E297 IonicContact NZ-OE1 2.75Å; K199-E297 PolarHBondContact NZ-OE1 3.19Å; F295-E297 VanDerWaalsContact C-N 3.26Å; F295-E297 PolarHBondContact O-N 3.25Å; E297-W299 VanDerWaalsContact C-N 3.3Å; E297-W299 PolarHBondContact O-N 3.3Å; E297-Y300 PolarHBondContact O-N 3.43Å; E297-N301 WeakPolarHBondContact O-CB 3.44Å; E297-N301 PolarHBondContact O-N 2.85Å; E297-N301 PolarHBondContact O-ND2 3.45Å
298D93.5Very high91.3Very high91 Ų9151.5 Ų51.549%0.48728%0.276SS..Hα-helixtrans-66.4-33.9177.5-71-14.4000112.4F295 R320F295-D298 PolarHBondContact O-N 3.36Å; F295-D298 VanDerWaalsContact O-N 3.15Å; D298-R320 VanDerWaalsContact CB-CZ 3.42Å; D298-R320 IonicContact OD2-CZ 3.55Å; D298-R320 IonicContact OD2-NH1 3.27Å; D298-R320 PolarHBondContact OD2-NH1 3.39Å; D298-R320 IonicContact OD2-NH2 3.27Å; D298-R320 PolarHBondContact OD2-NH2 3.37Å
299W94.5Very high90.4Very high0 Ų050.4 Ų50.40%027%0.274CS..Hα-helixtrans-68.2-42176.1166.780.3000111.3R191 M194 Y195 F198 F295 V296 E297 D313 H316 L317 R320R191-W299 HydrophobicContact CG-CE3 4.49Å; R191-W299 HydrophobicContact CG-CH2 3.62Å; R191-W299 HydrophobicContact CG-CZ2 3.85Å; R191-W299 HydrophobicContact CG-CZ3 3.98Å; R191-W299 PolarHBondContact NH1-O 3.4Å; R191-W299 VanDerWaalsContact NH1-O 3.15Å; M194-W299 HydrophobicContact CB-CH2 3.7Å; M194-W299 HydrophobicContact CB-CZ2 4.44Å; M194-W299 HydrophobicContact CE-CH2 4.46Å; M194-W299 HydrophobicContact CE-CZ2 4.18Å; M194-W299 HydrophobicContact SD-CZ2 4.43Å; Y195-W299 HydrophobicContact CD2-CZ3 4.5Å; F198-W299 HydrophobicContact CD2-CH2 4.4Å; F198-W299 HydrophobicContact CD2-CZ3 4.08Å; F198-W299 AromaticContact CE2-CH2 3.99Å; F198-W299 HydrophobicContact CE2-CH2 3.99Å; F198-W299 HydrophobicContact CE2-CZ2 4.44Å; F198-W299 HydrophobicContact CE2-CZ3 4.08Å; F295-W299 HydrophobicContact CD2-CB 4.05Å; F295-W299 WeakPolarHBondContact O-CB 3.4Å; F295-W299 PolarHBondContact O-N 3.15Å; V296-W299 HydrophobicContact CG2-CE3 4.31Å; V296-W299 PolarHBondContact O-N 3.47Å; E297-W299 VanDerWaalsContact C-N 3.3Å; E297-W299 PolarHBondContact O-N 3.3Å; W299-D313 HydrophobicContact CZ2-CB 4.15Å; W299-D313 PolarHBondContact NE1-O 3.05Å; W299-D313 VanDerWaalsContact NE1-O 3.14Å; W299-H316 AromaticContact CD1-CD2 3.5Å; W299-H316 VanDerWaalsContact CD1-CD2 3.5Å; W299-L317 HydrophobicContact CD2-CD1 3.87Å; W299-L317 HydrophobicContact CG-CD1 3.86Å; W299-L317 HydrophobicContact CZ2-CD1 4.3Å; W299-R320 HydrophobicContact CB-CG 4.17Å
300Y92.8Very high89.1Confident39 Ų3953.1 Ų53.115%0.15329%0.293CS..Hα-helixtrans-65.2-54.7178.7-179.6-92.3000110.8H153 R191 E192 Y195 V296 E297 Q302H153-Y300 AromaticContact CD2-CE1 3.55Å; H153-Y300 AromaticContact CE1-CD1 3.47Å; H153-Y300 VanDerWaalsContact CE1-CD1 3.47Å; H153-Y300 WeakPolarHBondContact CE1-CD1 3.41Å; H153-Y300 AromaticContact CE1-CD2 3.72Å; H153-Y300 AromaticContact CE1-CE1 3.2Å; H153-Y300 WeakPolarHBondContact CE1-CE1 3.39Å; H153-Y300 AromaticContact CE1-CE2 3.44Å; H153-Y300 VanDerWaalsContact CE1-CE2 3.44Å; H153-Y300 WeakPolarHBondContact CE1-CE2 3.33Å; H153-Y300 AromaticContact CE1-CG 3.74Å; H153-Y300 AromaticContact CE1-CZ 3.17Å; H153-Y300 AromaticContact CG-CE1 3.65Å; H153-Y300 AromaticContact CG-CZ 3.63Å; H153-Y300 AromaticContact ND1-CE1 3.49Å; H153-Y300 WeakPolarHBondContact ND1-CE1 3.45Å; H153-Y300 AromaticContact ND1-CE2 3.6Å; H153-Y300 AromaticContact ND1-CZ 3.13Å; H153-Y300 PolarHBondContact ND1-OH 2.94Å; H153-Y300 VanDerWaalsContact ND1-OH 3.14Å; H153-Y300 AromaticContact NE2-CD1 3.41Å; H153-Y300 WeakPolarHBondContact NE2-CD1 3.29Å; H153-Y300 AromaticContact NE2-CE1 3.27Å; H153-Y300 VanDerWaalsContact NE2-CE1 3.27Å; H153-Y300 WeakPolarHBondContact NE2-CE1 3.38Å; H153-Y300 AromaticContact NE2-CZ 3.76Å; R191-Y300 WeakPolarHBondContact CD-O 3.31Å; R191-Y300 HydrophobicContact CG-CD2 3.92Å; R191-Y300 HydrophobicContact CG-CE2 4.34Å; E192-Y300 WeakPolarHBondContact OE2-CE2 3.3Å; E192-Y300 PolarHBondContact OE2-OH 3.46Å; Y195-Y300 AromaticContact CD2-CD2 3.7Å; Y195-Y300 HydrophobicContact CD2-CD2 3.7Å; Y195-Y300 AromaticContact CD2-CG 3.73Å; Y195-Y300 HydrophobicContact CD2-CG 3.73Å; Y195-Y300 HydrophobicContact CE2-CD2 4.4Å; Y195-Y300 HydrophobicContact CE2-CG 4.04Å; Y195-Y300 AromaticContact CG-CD2 3.75Å; Y195-Y300 HydrophobicContact CG-CD2 3.75Å; Y195-Y300 HydrophobicContact CG-CE2 4.35Å; Y195-Y300 HydrophobicContact CG-CG 4.22Å; V296-Y300 WeakPolarHBondContact O-CB 3.16Å; V296-Y300 PolarHBondContact O-N 2.96Å; E297-Y300 PolarHBondContact O-N 3.43Å; Y300-Q302 PolarHBondContact O-N 3.26Å
301N91.1Very high88.1Confident78 Ų7851.5 Ų51.542%0.41728%0.277SS..THydrogen-bonded Turntrans-77.625.7-174.9-65-67.2000114E297 E303E297-N301 WeakPolarHBondContact O-CB 3.44Å; E297-N301 PolarHBondContact O-N 2.85Å; E297-N301 PolarHBondContact O-ND2 3.45Å; N301-E303 PolarHBondContact O-N 2.77Å
302Q90.2Very high87.2Confident12 Ų1251.5 Ų51.56%0.05628%0.28CS..  trans-62.8122.3-177.1-173.9-166.411.100111.5R191 Y300 Q308 C309 H316 E361R191-Q302 VanDerWaalsContact NH2-OE1 3.15Å; Y300-Q302 PolarHBondContact O-N 3.26Å; Q302-Q308 PolarHBondContact O-OE1 3.43Å; Q302-C309 HydrophobicContact CB-CB 4.34Å; Q302-C309 HydrophobicContact CG-CB 4.21Å; Q302-C309 WeakPolarHBondContact O-CB 3.42Å; Q302-C309 PolarHBondContact O-N 3Å; Q302-H316 VanDerWaalsContact CD-CD2 3.46Å; Q302-H316 VanDerWaalsContact CD-CG 3.42Å; Q302-H316 PolarHBondContact NE2-CE1 3.31Å; Q302-H316 PolarHBondContact NE2-ND1 3.14Å; Q302-H316 VanDerWaalsContact NE2-ND1 3.17Å; Q302-H316 PolarHBondContact OE1-CD2 3.08Å; Q302-H316 VanDerWaalsContact OE1-CG 3.3Å; Q302-E361 PolarHBondContact NE2-OE1 2.8Å
303E87.9Confident86.8Confident119 Ų11951.9 Ų51.956%0.55628%0.282SS*.EExtended strand (participates in β ladder)trans-110.8149.7172.2-65.5-175.1173.100112.2N301 S307 Q308N301-E303 PolarHBondContact O-N 2.77Å; E303-S307 WeakPolarHBondContact CA-O 3.16Å; E303-Q308 HydrophobicContact CG-CG 4.45Å; E303-Q308 PolarHBondContact OE1-NE2 3.5Å
304F84.7Confident86.8Confident35 Ų3551.3 Ų51.315%0.15428%0.281CS..EExtended strand (participates in β ladder)trans-135.7120.9168.1-173.2-101.9000109.5G306 S307 C309 R360 L363 I458 N459F304-G306 PolarHBondContact O-N 3.48Å; F304-S307 PolarHBondContact N-O 3Å; F304-S307 PolarHBondContact O-N 3.28Å; F304-S307 VanDerWaalsContact O-N 3.12Å; F304-C309 VanDerWaalsContact CB-SG 3.57Å; F304-R360 HydrophobicContact CB-CG 4.11Å; F304-R360 HydrophobicContact CD1-CG 4.17Å; F304-R360 HydrophobicContact CD2-CG 3.48Å; F304-R360 VanDerWaalsContact CD2-CG 3.48Å; F304-R360 HydrophobicContact CE1-CG 4.49Å; F304-R360 HydrophobicContact CE2-CG 3.83Å; F304-R360 HydrophobicContact CG-CG 3.65Å; F304-R360 HydrophobicContact CZ-CG 4.32Å; F304-L363 HydrophobicContact CE2-CD1 4.1Å; F304-L363 HydrophobicContact CZ-CD1 3.95Å; F304-I458 HydrophobicContact CE1-CD1 4.07Å; F304-I458 HydrophobicContact CE1-CG1 4.08Å; F304-I458 HydrophobicContact CE1-CG2 3.97Å; F304-I458 HydrophobicContact CZ-CD1 4.16Å; F304-N459 WeakPolarHBondContact CD1-OD1 3.35Å; F304-N459 WeakPolarHBondContact CE1-OD1 3.18Å
305M83.5Confident86.7Confident135 Ų13547.6 Ų47.667%0.66526%0.262SS*.THydrogen-bonded Turntrans50.541.3-174-57.4-167.5178.400113S307 N459M305-S307 VanDerWaalsContact C-N 3.3Å; M305-S307 PolarHBondContact O-N 3.48Å; M305-N459 PolarHBondContact SD-ND2 2.89Å
306G79.7Confident86.7Confident63 Ų6347.6 Ų47.665%0.64926%0.262SS*.THydrogen-bonded Turntrans768.8178.100000115.3F304F304-G306 PolarHBondContact O-N 3.48Å
307S79.9Confident86.7Confident61 Ų6147.4 Ų47.443%0.42726%0.26SS..EExtended strand (participates in β ladder)trans-114.5136.3174.7-620000111.2E303 F304 M305E303-S307 WeakPolarHBondContact CA-O 3.16Å; F304-S307 PolarHBondContact N-O 3Å; F304-S307 PolarHBondContact O-N 3.28Å; F304-S307 VanDerWaalsContact O-N 3.12Å; M305-S307 VanDerWaalsContact C-N 3.3Å; M305-S307 PolarHBondContact O-N 3.48Å
308Q81.4Confident86.9Confident93 Ų9344.1 Ų44.144%0.43525%0.245SC..EExtended strand (participates in β ladder)trans-61.6135.4174.7-75-68.6-28.800111.3Q302 E303Q302-Q308 PolarHBondContact O-OE1 3.43Å; E303-Q308 HydrophobicContact CG-CG 4.45Å; E303-Q308 PolarHBondContact OE1-NE2 3.5Å
309C80.1Confident87Confident14 Ų1439.9 Ų39.910%0.09522%0.222CC..  trans-88.9111.3-175-74.20000112.1Q302 F304 R360Q302-C309 HydrophobicContact CB-CB 4.34Å; Q302-C309 HydrophobicContact CG-CB 4.21Å; Q302-C309 WeakPolarHBondContact O-CB 3.42Å; Q302-C309 PolarHBondContact O-N 3Å; F304-C309 VanDerWaalsContact CB-SG 3.57Å; C309-R360 VanDerWaalsContact SG-CD 3.53Å
310S69.4Low87.1Confident57 Ų5741.2 Ų41.240%0.39923%0.227SC..  trans-86.4-6.9-178.1600000116.2
311F75.1Confident87.3Confident37 Ų3739.4 Ų39.416%0.16222%0.22CC..SBendtrans-137.6160.7-176.8-48.5-59.8000111.5R353 R360 A461F311-R353 HydrophobicContact CB-CG 4.22Å; F311-R353 HydrophobicContact CD1-CG 4.22Å; F311-R353 HydrophobicContact CD2-CG 4.07Å; F311-R353 HydrophobicContact CG-CG 3.9Å; F311-R360 VanDerWaalsContact O-CZ 3.3Å; F311-R360 PolarHBondContact O-NH1 3Å; F311-R360 VanDerWaalsContact O-NH1 3.08Å; F311-R360 PolarHBondContact O-NH2 3.38Å; F311-A461 WeakPolarHBondContact CE2-O 3.5Å; F311-A461 WeakPolarHBondContact CZ-O 3.5Å
312G77.5Confident87.6Confident11 Ų1135.7 Ų35.711%0.11320%0.2CC..  trans9228.8170.900000113.4D314 R315 H316 S357G312-D314 PolarHBondContact O-N 2.97Å; G312-R315 PolarHBondContact O-N 2.71Å; G312-H316 WeakPolarHBondContact O-CB 3.45Å; G312-H316 PolarHBondContact O-N 3.15Å; G312-S357 VanDerWaalsContact CA-OG 3.24Å; G312-S357 WeakPolarHBondContact CA-OG 3.45Å
313D87.7Confident87.9Confident9 Ų935.5 Ų35.55%0.04820%0.2CC..Hα-helixtrans-57.3-48.3-172.1-46.2-58.8000111.3R191 M194 W299 R315 H316 L317R191-D313 WeakPolarHBondContact CB-OD1 3.37Å; R191-D313 IonicContact CZ-OD1 3Å; R191-D313 VanDerWaalsContact CZ-OD1 3.26Å; R191-D313 IonicContact NE-OD1 3.88Å; R191-D313 PolarHBondContact NE-OD1 3.5Å; R191-D313 IonicContact NH2-OD1 2.99Å; R191-D313 PolarHBondContact NH2-OD1 2.77Å; M194-D313 HydrophobicContact SD-CB 4.27Å; W299-D313 HydrophobicContact CZ2-CB 4.15Å; W299-D313 PolarHBondContact NE1-O 3.05Å; W299-D313 VanDerWaalsContact NE1-O 3.14Å; D313-R315 PolarHBondContact O-N 2.97Å; D313-H316 PolarHBondContact O-N 2.85Å; D313-L317 VanDerWaalsContact O-CB 3.24Å; D313-L317 WeakPolarHBondContact O-CB 3.41Å; D313-L317 PolarHBondContact O-N 3.26Å
314D92.6Very high88.3Confident32 Ų3233.2 Ų33.217%0.17119%0.191CC..Hα-helixtrans-65.5-41.8-178.3-28.9-44.6000112.2K190 I280 G282 G312 L317 T318K190-D314 IonicContact NZ-OD1 3.64Å; K190-D314 PolarHBondContact NZ-OD1 3.27Å; K190-D314 IonicContact NZ-OD2 2.74Å; I280-D314 WeakPolarHBondContact O-CB 3.34Å; G282-D314 WeakPolarHBondContact CA-OD1 3.46Å; G282-D314 WeakPolarHBondContact CA-OD2 3.44Å; G282-D314 PolarHBondContact N-OD2 2.75Å; G312-D314 PolarHBondContact O-N 2.97Å; D314-L317 PolarHBondContact O-N 2.89Å; D314-T318 WeakPolarHBondContact O-CB 3.47Å; D314-T318 PolarHBondContact O-N 3.04Å; D314-T318 PolarHBondContact O-OG1 3.4Å
315R94.4Very high88.9Confident38 Ų3832.7 Ų32.714%0.14320%0.196CC..Hα-helixtrans-70.8-39.8179.6-169.2178.2-71.4137.4-8.2111.2C279 G312 D313 T318 N319 W354 S357 Y358 E361C279-R315 HydrophobicContact CB-CB 4.42Å; C279-R315 HydrophobicContact CB-CG 4.11Å; G312-R315 PolarHBondContact O-N 2.71Å; D313-R315 PolarHBondContact O-N 2.97Å; R315-T318 PolarHBondContact O-N 3.08Å; R315-N319 WeakPolarHBondContact O-CB 3.5Å; R315-N319 PolarHBondContact O-N 2.76Å; R315-W354 PolarHBondContact NH1-O 3.26Å; R315-W354 VanDerWaalsContact NH1-O 3.16Å; R315-S357 PolarHBondContact NH1-OG 2.84Å; R315-Y358 VanDerWaalsContact NH1-CB 3.34Å; R315-E361 HydrophobicContact CB-CG 3.94Å; R315-E361 HydrophobicContact CG-CB 3.69Å; R315-E361 HydrophobicContact CG-CG 3.66Å
316H95.1Very high89.6Confident2 Ų229.6 Ų29.61%0.00918%0.178CC..Hα-helixtrans-66.2-41.6175-164.854.6000111.3W299 Q302 G312 D313 T318 N319 R320 E361 Y364W299-H316 AromaticContact CD1-CD2 3.5Å; W299-H316 VanDerWaalsContact CD1-CD2 3.5Å; Q302-H316 VanDerWaalsContact CD-CD2 3.46Å; Q302-H316 VanDerWaalsContact CD-CG 3.42Å; Q302-H316 PolarHBondContact NE2-CE1 3.31Å; Q302-H316 PolarHBondContact NE2-ND1 3.14Å; Q302-H316 VanDerWaalsContact NE2-ND1 3.17Å; Q302-H316 PolarHBondContact OE1-CD2 3.08Å; Q302-H316 VanDerWaalsContact OE1-CG 3.3Å; G312-H316 WeakPolarHBondContact O-CB 3.45Å; G312-H316 PolarHBondContact O-N 3.15Å; D313-H316 PolarHBondContact O-N 2.85Å; H316-T318 VanDerWaalsContact C-N 3.31Å; H316-T318 PolarHBondContact O-N 3.3Å; H316-N319 CarbonylContact O-C 3.58Å; H316-N319 WeakPolarHBondContact O-CB 3.41Å; H316-N319 PolarHBondContact O-N 3.14Å; H316-N319 VanDerWaalsContact O-N 3.12Å; H316-R320 WeakPolarHBondContact O-CG 3.3Å; H316-R320 PolarHBondContact O-N 3.12Å; H316-E361 WeakPolarHBondContact CA-OE2 3.27Å; H316-E361 IonicContact CE1-OE2 3.62Å; H316-E361 IonicContact CG-OE1 3Å; H316-E361 IonicContact CG-OE2 2.76Å; H316-E361 IonicContact ND1-OE1 3.24Å; H316-E361 IonicContact ND1-OE2 3.57Å; H316-E361 PolarHBondContact ND1-OE2 3.46Å; H316-Y364 AromaticContact CE1-CE1 3.85Å; H316-Y364 AromaticContact CE1-CZ 3.8Å
317L95.5Very high90.5Very high1 Ų127.5 Ų27.51%0.00516%0.155CC..Hα-helixtrans-57.7-45.3175-161.872000111.2M194 F198 Y287 L292 F295 W299 D313 D314 R320 V321M194-L317 HydrophobicContact CE-CD2 4.25Å; F198-L317 HydrophobicContact CE2-CD1 4.16Å; F198-L317 HydrophobicContact CE2-CD2 4.39Å; F198-L317 HydrophobicContact CZ-CD2 4.3Å; Y287-L317 HydrophobicContact CD2-CD2 3.9Å; Y287-L317 HydrophobicContact CE1-CD2 4.09Å; Y287-L317 HydrophobicContact CE1-CG 4.09Å; Y287-L317 HydrophobicContact CE2-CD2 3.39Å; Y287-L317 HydrophobicContact CE2-CG 4.28Å; Y287-L317 HydrophobicContact CG-CD2 4.45Å; Y287-L317 VanDerWaalsContact CZ-CD2 3.48Å; L292-L317 HydrophobicContact CD2-CD1 3.74Å; L292-L317 HydrophobicContact CD2-CD2 4.34Å; L292-L317 HydrophobicContact CD2-CG 4.21Å; F295-L317 HydrophobicContact CE2-CD1 3.67Å; F295-L317 HydrophobicContact CE2-CG 4.41Å; F295-L317 HydrophobicContact CZ-CD1 4.38Å; W299-L317 HydrophobicContact CD2-CD1 3.87Å; W299-L317 HydrophobicContact CG-CD1 3.86Å; W299-L317 HydrophobicContact CZ2-CD1 4.3Å; D313-L317 VanDerWaalsContact O-CB 3.24Å; D313-L317 WeakPolarHBondContact O-CB 3.41Å; D313-L317 PolarHBondContact O-N 3.26Å; D314-L317 PolarHBondContact O-N 2.89Å; L317-R320 PolarHBondContact O-N 3.34Å; L317-V321 PolarHBondContact O-N 2.79Å
318T97.4Very high91.4Very high0 Ų024.6 Ų24.60%013%0.134CC..Hα-helixtrans-61.6-45.1174.6-51.60000111.7V277 I280 Y287 D314 R315 H316 R320 V321 L322 T328V277-T318 WeakPolarHBondContact O-CG2 3.34Å; I280-T318 HydrophobicContact CD1-CG2 4.27Å; I280-T318 HydrophobicContact CG1-CG2 4.14Å; I280-T318 PolarHBondContact N-OG1 2.9Å; Y287-T318 PolarHBondContact OH-OG1 2.98Å; D314-T318 WeakPolarHBondContact O-CB 3.47Å; D314-T318 PolarHBondContact O-N 3.04Å; D314-T318 PolarHBondContact O-OG1 3.4Å; R315-T318 PolarHBondContact O-N 3.08Å; H316-T318 VanDerWaalsContact C-N 3.31Å; H316-T318 PolarHBondContact O-N 3.3Å; T318-R320 VanDerWaalsContact C-N 3.28Å; T318-R320 PolarHBondContact O-N 2.88Å; T318-V321 WeakPolarHBondContact O-CB 3.44Å; T318-V321 PolarHBondContact O-N 3.42Å; T318-L322 HydrophobicContact CG2-CD1 4.17Å; T318-L322 WeakPolarHBondContact O-CG 3.31Å; T318-L322 PolarHBondContact O-N 2.68Å; T318-T328 HydrophobicContact CG2-CG2 3.94Å
319N96.6Very high92.2Very high2 Ų221.4 Ų21.41%0.01112%0.119CC..Hα-helixtrans-61.4-35177.3-86.9-11000112.7R315 H316 L322 S323 E361 Y364 N365R315-N319 WeakPolarHBondContact O-CB 3.5Å; R315-N319 PolarHBondContact O-N 2.76Å; H316-N319 CarbonylContact O-C 3.58Å; H316-N319 WeakPolarHBondContact O-CB 3.41Å; H316-N319 PolarHBondContact O-N 3.14Å; H316-N319 VanDerWaalsContact O-N 3.12Å; N319-L322 PolarHBondContact O-N 2.96Å; N319-S323 WeakPolarHBondContact O-CB 3.27Å; N319-S323 PolarHBondContact O-N 3.08Å; N319-E361 VanDerWaalsContact ND2-CB 3.33Å; N319-E361 WeakPolarHBondContact ND2-CB 3.32Å; N319-E361 PolarHBondContact ND2-O 3.21Å; N319-E361 PolarHBondContact ND2-OE2 3.13Å; N319-Y364 HydrophobicContact CB-CD1 3.9Å; N319-Y364 HydrophobicContact CB-CE1 4.1Å; N319-N365 PolarHBondContact OD1-ND2 3.5Å
320R96.8Very high93Very high28 Ų2821 Ų2111%0.10612%0.115CC..Hα-helixtrans-65.9-42.4176.2-70.5-57.9-54.5-159.4-5.4111.7F295 D298 W299 H316 L317 T318 L322 S323 L324 Y364F295-R320 HydrophobicContact CB-CB 4.24Å; F295-R320 HydrophobicContact CD1-CB 4.01Å; F295-R320 HydrophobicContact CD2-CB 3.42Å; F295-R320 VanDerWaalsContact CD2-CB 3.42Å; F295-R320 HydrophobicContact CD2-CG 3.88Å; F295-R320 HydrophobicContact CE1-CB 4.16Å; F295-R320 HydrophobicContact CE2-CB 3.61Å; F295-R320 HydrophobicContact CE2-CG 4.34Å; F295-R320 HydrophobicContact CG-CB 3.64Å; F295-R320 HydrophobicContact CG-CG 4.29Å; F295-R320 HydrophobicContact CZ-CB 3.97Å; D298-R320 VanDerWaalsContact CB-CZ 3.42Å; D298-R320 IonicContact OD2-CZ 3.55Å; D298-R320 IonicContact OD2-NH1 3.27Å; D298-R320 PolarHBondContact OD2-NH1 3.39Å; D298-R320 IonicContact OD2-NH2 3.27Å; D298-R320 PolarHBondContact OD2-NH2 3.37Å; W299-R320 HydrophobicContact CB-CG 4.17Å; H316-R320 WeakPolarHBondContact O-CG 3.3Å; H316-R320 PolarHBondContact O-N 3.12Å; L317-R320 PolarHBondContact O-N 3.34Å; T318-R320 VanDerWaalsContact C-N 3.28Å; T318-R320 PolarHBondContact O-N 2.88Å; R320-L322 PolarHBondContact O-N 2.98Å; R320-S323 PolarHBondContact O-N 3.42Å; R320-S323 PolarHBondContact O-OG 3.4Å; R320-L324 PolarHBondContact O-N 2.68Å; R320-Y364 WeakPolarHBondContact CD-OH 3.39Å; R320-Y364 PolarHBondContact NH1-OH 3.31Å; R320-Y364 VanDerWaalsContact NH1-OH 3.08Å
321V97.8Very high94.3Very high1 Ų118.5 Ų18.51%0.00610%0.098CC..Hα-helixtrans-57.9-48.9171.8178.50000111.1Y287 F295 L317 T318 S323 L324 Y326 T328Y287-V321 HydrophobicContact CD1-CG2 3.83Å; Y287-V321 HydrophobicContact CE1-CG2 4.08Å; F295-V321 HydrophobicContact CE1-CG2 3.91Å; F295-V321 HydrophobicContact CZ-CG2 3.78Å; L317-V321 PolarHBondContact O-N 2.79Å; T318-V321 WeakPolarHBondContact O-CB 3.44Å; T318-V321 PolarHBondContact O-N 3.42Å; V321-S323 VanDerWaalsContact C-N 3.31Å; V321-S323 PolarHBondContact O-N 3.15Å; V321-L324 PolarHBondContact O-N 3.08Å; V321-Y326 PolarHBondContact O-N 2.8Å; V321-T328 HydrophobicContact CB-CG2 4.04Å; V321-T328 HydrophobicContact CG1-CG2 3.71Å
322L97.6Very high95.3Very high0 Ų017.5 Ų17.50%010%0.096CC..Hα-helixtrans-62.4-37.2177.4-70.5164.9000111.9T318 N319 R320 L324 G325 T328 H372 M376T318-L322 HydrophobicContact CG2-CD1 4.17Å; T318-L322 WeakPolarHBondContact O-CG 3.31Å; T318-L322 PolarHBondContact O-N 2.68Å; N319-L322 PolarHBondContact O-N 2.96Å; R320-L322 PolarHBondContact O-N 2.98Å; L322-L324 PolarHBondContact O-N 3.29Å; L322-G325 PolarHBondContact O-N 3.28Å; L322-T328 HydrophobicContact CD2-CG2 4.11Å; L322-T328 WeakPolarHBondContact CD2-OG1 3.42Å; L322-T328 HydrophobicContact CG-CG2 3.97Å; L322-H372 VanDerWaalsContact CD2-CE1 3.4Å; L322-H372 WeakPolarHBondContact CD2-CE1 3.13Å; L322-H372 PolarHBondContact O-CE1 2.9Å; L322-H372 PolarHBondContact O-NE2 2.95Å; L322-M376 HydrophobicContact CD1-CE 3.72Å; L322-M376 HydrophobicContact CD2-CE 4.34Å; L322-M376 HydrophobicContact CG-CE 4.49Å
323S96.3Very high96.1Very high8 Ų820.1 Ų20.16%0.05610%0.103CC..Hα-helixtrans-62.8-28.6179.2790000112.4N319 R320 V321 G325 K371N319-S323 WeakPolarHBondContact O-CB 3.27Å; N319-S323 PolarHBondContact O-N 3.08Å; R320-S323 PolarHBondContact O-N 3.42Å; R320-S323 PolarHBondContact O-OG 3.4Å; V321-S323 VanDerWaalsContact C-N 3.31Å; V321-S323 PolarHBondContact O-N 3.15Å; S323-G325 VanDerWaalsContact C-N 3.26Å; S323-G325 PolarHBondContact O-N 2.94Å; S323-K371 WeakPolarHBondContact O-CD 3.22Å; S323-K371 PolarHBondContact O-NZ 3.29Å
324L96.3Very high96.4Very high70 Ų7019.7 Ų19.737%0.36610%0.1SC..THydrogen-bonded Turntrans-80.1-3.7174.1-63.5-177.4000113.3E294 F295 R320 V321 L322 Y326E294-L324 HydrophobicContact CB-CD1 4.33Å; F295-L324 HydrophobicContact CD1-CD1 3.76Å; F295-L324 HydrophobicContact CE1-CD1 4.35Å; R320-L324 PolarHBondContact O-N 2.68Å; V321-L324 PolarHBondContact O-N 3.08Å; L322-L324 PolarHBondContact O-N 3.29Å; L324-Y326 HydrophobicContact CB-CD2 3.87Å; L324-Y326 HydrophobicContact CB-CE2 4.36Å
325G96.2Very high96.6Very high25 Ų2521.3 Ų21.326%0.25811%0.106SC..THydrogen-bonded Turntrans84.77.2-179.900000114.6L322 S323L322-G325 PolarHBondContact O-N 3.28Å; S323-G325 VanDerWaalsContact C-N 3.26Å; S323-G325 PolarHBondContact O-N 2.94Å
326Y98.3Very high96.7Very high69 Ų6919.6 Ų19.627%0.27110%0.1SC..  trans-79.3146173.4-75.9-96.2000111M234 L291 V321 L324 H372M234-Y326 HydrophobicContact CE-CD1 4.47Å; M234-Y326 CarbonylContact O-C 3.59Å; M234-Y326 WeakPolarHBondContact O-CA 3.45Å; M234-Y326 WeakPolarHBondContact O-CD1 3.39Å; L291-Y326 HydrophobicContact CD1-CD1 3.64Å; L291-Y326 HydrophobicContact CD1-CD2 3.86Å; L291-Y326 HydrophobicContact CD1-CE1 3.88Å; L291-Y326 HydrophobicContact CD1-CE2 4.08Å; L291-Y326 HydrophobicContact CD1-CG 3.64Å; L291-Y326 HydrophobicContact CD2-CD2 4Å; L291-Y326 HydrophobicContact CD2-CE1 4.11Å; L291-Y326 HydrophobicContact CD2-CE2 3.45Å; L291-Y326 VanDerWaalsContact CD2-CE2 3.45Å; L291-Y326 HydrophobicContact CG-CE2 4.43Å; V321-Y326 PolarHBondContact O-N 2.8Å; L324-Y326 HydrophobicContact CB-CD2 3.87Å; L324-Y326 HydrophobicContact CB-CE2 4.36Å; Y326-H372 PolarHBondContact O-CE1 3.09Å
327A98.3Very high96.8Very high20 Ų2020 Ų2017%0.16510%0.102CC..EExtended strand (participates in β ladder)trans-73.3149.9173.600000111.1M234 V235 G236 G275M234-A327 PolarHBondContact O-N 3.26Å; V235-A327 CarbonylContact C-O 3.59Å; V235-A327 WeakPolarHBondContact CA-O 3.39Å; V235-A327 HydrophobicContact CG2-CB 4.22Å; G236-A327 PolarHBondContact N-O 2.89Å; G275-A327 VanDerWaalsContact O-CA 3.26Å; G275-A327 WeakPolarHBondContact O-CA 3.23Å; G275-A327 WeakPolarHBondContact O-CB 3.38Å
328T98.5Very high96.8Very high0 Ų020.2 Ų20.20%010%0.103CC..EExtended strand (participates in β ladder)trans-121.9132.9171.352.90000109.4G237 G275 C276 V277 I280 T318 V321 L322G237-T328 WeakPolarHBondContact O-CA 3.46Å; G275-T328 CarbonylContact C-O 3.5Å; G275-T328 PolarHBondContact O-N 2.88Å; C276-T328 PolarHBondContact N-O 2.93Å; V277-T328 WeakPolarHBondContact CA-OG1 3.41Å; V277-T328 PolarHBondContact N-O 3.05Å; V277-T328 PolarHBondContact N-OG1 2.94Å; V277-T328 WeakPolarHBondContact O-CB 3.21Å; V277-T328 PolarHBondContact O-OG1 2.98Å; I280-T328 HydrophobicContact CD1-CG2 4.22Å; T318-T328 HydrophobicContact CG2-CG2 3.94Å; V321-T328 HydrophobicContact CB-CG2 4.04Å; V321-T328 HydrophobicContact CG1-CG2 3.71Å; L322-T328 HydrophobicContact CD2-CG2 4.11Å; L322-T328 WeakPolarHBondContact CD2-OG1 3.42Å; L322-T328 HydrophobicContact CG-CG2 3.97Å
329K98.3Very high96.6Very high25 Ų2521.1 Ų21.111%0.10911%0.108CC..EExtended strand (participates in β ladder)trans-119.4165.9-171.5-70.2-70.8-173.4173.10112.3V228 V235 G237 V238 G239 S272V228-K329 HydrophobicContact CG1-CB 3.83Å; V228-K329 HydrophobicContact CG1-CG 4.23Å; V235-K329 HydrophobicContact CB-CG 4.39Å; V235-K329 HydrophobicContact CG1-CB 4.01Å; V235-K329 HydrophobicContact CG1-CG 3.69Å; V235-K329 HydrophobicContact CG2-CG 3.67Å; G237-K329 PolarHBondContact O-N 2.97Å; V238-K329 CarbonylContact C-O 3.47Å; V238-K329 VanDerWaalsContact CA-O 3.3Å; V238-K329 WeakPolarHBondContact CA-O 3.24Å; V238-K329 HydrophobicContact CG2-CB 4.33Å; G239-K329 PolarHBondContact N-O 3.08Å; S272-K329 WeakPolarHBondContact O-CD 3.4Å; S272-K329 WeakPolarHBondContact O-CE 3.37Å; S272-K329 PolarHBondContact O-NZ 2.9Å; S272-K329 VanDerWaalsContact OG-CD 3.29Å; S272-K329 WeakPolarHBondContact OG-CD 3.45Å
330Y98.3Very high96.4Very high5 Ų521 Ų212%0.0211%0.107CC..EExtended strand (participates in β ladder)trans-128.3146.5169156.1-95000108.8M71 G239 G240 D241 F264 N265 R268 A269 S272 A332M71-Y330 HydrophobicContact CE-CD1 3.59Å; M71-Y330 HydrophobicContact CE-CE1 3.88Å; M71-Y330 WeakPolarHBondContact CE-O 3.23Å; G239-Y330 CarbonylContact O-C 3.54Å; G239-Y330 VanDerWaalsContact O-CA 3.28Å; G239-Y330 WeakPolarHBondContact O-CA 2.96Å; G240-Y330 WeakPolarHBondContact O-CE2 3.25Å; D241-Y330 HydrophobicContact CB-CE2 4.16Å; D241-Y330 PolarHBondContact OD1-OH 3.16Å; F264-Y330 HydrophobicContact CB-CE2 3.84Å; F264-Y330 HydrophobicContact CD1-CD2 4.1Å; F264-Y330 AromaticContact CD1-CE2 3.74Å; F264-Y330 HydrophobicContact CD1-CE2 3.74Å; F264-Y330 HydrophobicContact CG-CE2 4.26Å; F264-Y330 VanDerWaalsContact O-CE1 3.28Å; F264-Y330 WeakPolarHBondContact O-CE1 3.27Å; N265-Y330 PolarHBondContact OD1-OH 2.9Å; R268-Y330 HydrophobicContact CB-CD1 4.4Å; R268-Y330 HydrophobicContact CB-CD2 4.31Å; R268-Y330 HydrophobicContact CB-CG 4.05Å; A269-Y330 HydrophobicContact CB-CD1 4.11Å; A269-Y330 HydrophobicContact CB-CE1 4.01Å; S272-Y330 PolarHBondContact OG-N 3.14Å; S272-Y330 PolarHBondContact OG-O 3.07Å; S272-Y330 VanDerWaalsContact OG-O 3.13Å; Y330-A332 HydrophobicContact CE1-CB 4.05Å; Y330-A332 WeakPolarHBondContact OH-CB 3.49Å
331T96.6Very high96.2Very high5 Ų519.9 Ų19.93%0.03110%0.103CC..EExtended strand (participates in β ladder)trans-131.9125.1170.9179.90000111.1M225 V228 V238 G239 R333M225-T331 HydrophobicContact CG-CG2 4.42Å; V228-T331 HydrophobicContact CG2-CG2 4.06Å; V238-T331 HydrophobicContact CG2-CG2 3.97Å; G239-T331 PolarHBondContact O-N 3.4Å; T331-R333 PolarHBondContact O-N 3.12Å; T331-R333 PolarHBondContact OG1-N 3.39Å
332A95.4Very high95.9Very high16 Ų1623.6 Ų23.613%0.13212%0.122CC..EExtended strand (participates in β ladder)trans-72.4-6.117500000113.3H68 M71 Y330H68-A332 VanDerWaalsContact CE1-CB 3.49Å; H68-A332 WeakPolarHBondContact CE1-CB 3.37Å; M71-A332 HydrophobicContact SD-CB 3.9Å; M71-A332 PolarHBondContact SD-N 3.41Å; Y330-A332 HydrophobicContact CE1-CB 4.05Å; Y330-A332 WeakPolarHBondContact OH-CB 3.49Å
333R93.7Very high95.6Very high66 Ų6628.4 Ų28.425%0.24915%0.145CC..EExtended strand (participates in β ladder)trans-86.2-24.8-179.3-60.5-164.360.8-149.9-20113.2L75 E224 T331L75-R333 VanDerWaalsContact CD2-NH1 3.27Å; L75-R333 VanDerWaalsContact CD2-NH2 3.33Å; E224-R333 HydrophobicContact CB-CB 4.15Å; E224-R333 HydrophobicContact CG-CB 3.95Å; E224-R333 IonicContact OE1-CZ 2.92Å; E224-R333 IonicContact OE1-NH1 3.11Å; E224-R333 IonicContact OE1-NH2 3.2Å; E224-R333 PolarHBondContact OE1-NH2 3.43Å; E224-R333 IonicContact OE2-CZ 2.77Å; E224-R333 IonicContact OE2-NE 3.75Å; E224-R333 PolarHBondContact OE2-NE 3.21Å; E224-R333 IonicContact OE2-NH1 2.76Å; E224-R333 PolarHBondContact OE2-NH1 3.01Å; E224-R333 VanDerWaalsContact OE2-NH1 3.11Å; E224-R333 IonicContact OE2-NH2 3.37Å; E224-R333 PolarHBondContact OE2-NH2 2.9Å; T331-R333 PolarHBondContact O-N 3.12Å; T331-R333 PolarHBondContact OG1-N 3.39Å
334S95.4Very high95.5Very high0 Ų031.6 Ų31.60%016%0.156CC..EExtended strand (participates in β ladder)trans-91.2120170.3-170.90000108.1S221 G240 D241S221-S334 VanDerWaalsContact C-OG 3.25Å; S221-S334 WeakPolarHBondContact CA-OG 3.04Å; S221-S334 WeakPolarHBondContact CB-OG 3.49Å; S221-S334 WeakPolarHBondContact O-CB 3.12Å; S221-S334 PolarHBondContact O-OG 3.24Å; G240-S334 CarbonylContact C-O 3.53Å; G240-S334 VanDerWaalsContact CA-O 3.3Å; G240-S334 WeakPolarHBondContact CA-O 3.3Å; D241-S334 PolarHBondContact N-O 3.45Å
335K96.5Very high95.2Very high66 Ų6629.4 Ų29.429%0.28715%0.145SC..EExtended strand (participates in β ladder)trans-123.9152.8-173.5-61.4172-174.2166.50111.5D218 D241 L284D218-K335 HydrophobicContact CB-CB 4.04Å; D218-K335 WeakPolarHBondContact CB-O 3.28Å; D218-K335 PolarHBondContact N-O 2.99Å; D241-K335 HydrophobicContact CB-CG 4.27Å; D241-K335 WeakPolarHBondContact O-CA 3.32Å; L284-K335 VanDerWaalsContact CD2-C 3.47Å
336C96.8Very high94.9Very high3 Ų330.2 Ų30.22%0.0214%0.14CC..EExtended strand (participates in β ladder)trans-148.1164.516670.80000111.5T215 M216 L217 D241 Q243 L284T215-C336 HydrophobicContact CG2-CB 3.56Å; M216-C336 CarbonylContact O-C 3.48Å; M216-C336 WeakPolarHBondContact O-CA 3.36Å; M216-C336 WeakPolarHBondContact O-CB 3.36Å; L217-C336 HydrophobicContact CD2-CB 3.96Å; D241-C336 PolarHBondContact O-N 2.86Å; Q243-C336 WeakPolarHBondContact CB-O 3.45Å; Q243-C336 PolarHBondContact N-O 3.38Å; L284-C336 HydrophobicContact CB-CB 4.29Å; L284-C336 VanDerWaalsContact CB-SG 3.6Å; L284-C336 HydrophobicContact CD2-CB 3.89Å
337L96.7Very high94.6Very high9 Ų927 Ų275%0.04713%0.127CC..EExtended strand (participates in β ladder)trans-118.7119.7173-65.8169.6000109.7T215 M216 Q243 L245 L550T215-L337 CarbonylContact C-O 3.55Å; T215-L337 WeakPolarHBondContact CA-O 3.11Å; M216-L337 HydrophobicContact CB-CB 4.33Å; M216-L337 PolarHBondContact N-O 3.12Å; M216-L337 PolarHBondContact O-N 2.88Å; Q243-L337 HydrophobicContact CB-CD2 3.55Å; Q243-L337 CarbonylContact O-C 3.6Å; Q243-L337 VanDerWaalsContact O-CA 3.31Å; Q243-L337 WeakPolarHBondContact O-CA 3.4Å; L245-L337 HydrophobicContact CB-CB 3.98Å; L245-L337 HydrophobicContact CD1-CB 4.01Å; L245-L337 HydrophobicContact CD1-CD1 3.93Å; L337-L550 HydrophobicContact CD1-CD2 3.41Å; L337-L550 VanDerWaalsContact CD1-CD2 3.41Å; L337-L550 HydrophobicContact CD1-CG 4.31Å; L337-L550 HydrophobicContact CG-CD2 4.03Å
338T95.2Very high94.4Very high6 Ų626 Ų264%0.03712%0.12CC..EExtended strand (participates in β ladder)trans-116.4156.8178.6-1730000110.9D214 T215 V242 Q243 I244 L245 Y260 P283D214-T338 PolarHBondContact OD1-OG1 3.48Å; D214-T338 PolarHBondContact OD2-OG1 2.83Å; T215-T338 WeakPolarHBondContact OG1-CB 3.32Å; T215-T338 PolarHBondContact OG1-OG1 3.47Å; V242-T338 HydrophobicContact CG1-CG2 3.37Å; Q243-T338 PolarHBondContact O-N 3.35Å; I244-T338 WeakPolarHBondContact CA-O 3.24Å; I244-T338 HydrophobicContact CD1-CG2 4.12Å; L245-T338 WeakPolarHBondContact CB-O 2.97Å; L245-T338 PolarHBondContact N-O 3.31Å; Y260-T338 HydrophobicContact CE1-CG2 4.32Å; P283-T338 HydrophobicContact CG-CG2 4.44Å
339E93.3Very high94Very high19 Ų1926.9 Ų26.99%0.08912%0.124CC..  trans-75.9148.7174.4-170.1-79.8155.800110.7Y98 D214 N246 R468Y98-E339 HydrophobicContact CD2-CB 4.46Å; Y98-E339 HydrophobicContact CD2-CG 4.13Å; Y98-E339 HydrophobicContact CE1-CB 4.38Å; Y98-E339 HydrophobicContact CE1-CG 4.28Å; Y98-E339 HydrophobicContact CE2-CB 4.27Å; Y98-E339 HydrophobicContact CE2-CG 3.56Å; D214-E339 HydrophobicContact CB-CB 4.39Å; D214-E339 PolarHBondContact OD2-N 3.38Å; N246-E339 PolarHBondContact ND2-OE1 2.95Å; E339-R468 IonicContact OE2-CZ 3.26Å; E339-R468 IonicContact OE2-NH1 3.95Å; E339-R468 PolarHBondContact OE2-NH1 3.5Å; E339-R468 IonicContact OE2-NH2 2.87Å
340T92.6Very high93.6Very high1 Ų126.5 Ų26.51%0.00612%0.123CC..  trans-132146.5168.6-172.90000110.8I244 N246 S253 I342I244-T340 HydrophobicContact CB-CG2 4.48Å; I244-T340 HydrophobicContact CD1-CG2 4.06Å; I244-T340 HydrophobicContact CG1-CG2 4.24Å; I244-T340 HydrophobicContact CG2-CG2 3.43Å; I244-T340 VanDerWaalsContact CG2-CG2 3.43Å; N246-T340 PolarHBondContact ND2-O 2.74Å; N246-T340 PolarHBondContact OD1-N 3Å; N246-T340 PolarHBondContact OD1-O 2.65Å; S253-T340 VanDerWaalsContact CB-CG2 3.48Å; T340-I342 PolarHBondContact O-N 2.89Å
341P91.9Very high93.3Very high3 Ų327.4 Ų27.42%0.01913%0.127CC..  trans-51.5132.4178.1-29.234.7000113.4R346 W347P341-R346 HydrophobicContact CB-CB 4.09Å; P341-R346 HydrophobicContact CB-CG 3.93Å; P341-R346 HydrophobicContact CG-CG 4.1Å; P341-W347 HydrophobicContact CB-CB 4.17Å
342I91.9Very high93.1Very high79 Ų7927.6 Ų27.641%0.40513%0.128SC..  trans-85.9-25.8176.361171.4000112.8N246 D249 S250 T340N246-I342 WeakPolarHBondContact ND2-CG2 3.41Å; D249-I342 HydrophobicContact CB-CG2 3.8Å; S250-I342 WeakPolarHBondContact CB-O 3.23Å; S250-I342 WeakPolarHBondContact OG-CA 3.36Å; S250-I342 PolarHBondContact OG-O 3.05Å; T340-I342 PolarHBondContact O-N 2.89Å
343E92.1Very high92.8Very high102 Ų10229.2 Ų29.248%0.47713%0.131SC..SBendtrans-90.1136.6-179.6-67.6178.5-177.500111.6L345 R346 W347E343-L345 PolarHBondContact O-N 3.09Å; E343-R346 HydrophobicContact CB-CB 4.27Å; E343-R346 PolarHBondContact O-N 3.16Å; E343-W347 WeakPolarHBondContact O-CB 3Å; E343-W347 PolarHBondContact O-N 3.02Å
344Y92.4Very high92.7Very high74 Ų7429.8 Ų29.829%0.2913%0.133SC..Hα-helixtrans-57.3-43.9-178.9172.5-102000113.2I252 W347 L348 L442 S446 L478I252-Y344 HydrophobicContact CD1-CD2 3.93Å; Y344-W347 AromaticContact CD2-CE3 3.95Å; Y344-W347 HydrophobicContact CD2-CE3 3.95Å; Y344-W347 HydrophobicContact CD2-CZ3 4.13Å; Y344-W347 HydrophobicContact CE2-CE3 4.03Å; Y344-W347 AromaticContact CE2-CZ3 3.77Å; Y344-W347 HydrophobicContact CE2-CZ3 3.77Å; Y344-W347 PolarHBondContact O-N 3.37Å; Y344-L348 HydrophobicContact CE1-CD2 4.04Å; Y344-L348 WeakPolarHBondContact O-CB 3.18Å; Y344-L348 PolarHBondContact O-N 3.46Å; Y344-L442 HydrophobicContact CE2-CD2 4.38Å; Y344-S446 WeakPolarHBondContact OH-CB 3.32Å; Y344-S446 PolarHBondContact OH-OG 3.2Å; Y344-L478 HydrophobicContact CE1-CD2 4.3Å
345L90.8Very high92.6Very high25 Ų2530.4 Ų30.413%0.13114%0.137CC..Hα-helixtrans-67.2-44.5-177.4-178.554.4000111.8E343 L348 N349 V473 N474 F475 L478E343-L345 PolarHBondContact O-N 3.09Å; L345-L348 PolarHBondContact O-N 2.83Å; L345-N349 PolarHBondContact O-N 3.1Å; L345-N349 PolarHBondContact O-ND2 3.46Å; L345-V473 HydrophobicContact CD2-CG1 3.73Å; L345-N474 WeakPolarHBondContact CD1-O 3.34Å; L345-N474 WeakPolarHBondContact CD2-O 3.31Å; L345-N474 WeakPolarHBondContact CG-O 3.45Å; L345-F475 HydrophobicContact CD2-CD1 3.61Å; L345-F475 HydrophobicContact CD2-CE1 3.83Å; L345-F475 HydrophobicContact CD2-CG 4.28Å; L345-L478 HydrophobicContact CD1-CD1 4.43Å; L345-L478 HydrophobicContact CD1-CD2 3.88Å; L345-L478 HydrophobicContact CD1-CG 3.7Å
346R89.5Confident92.3Very high42 Ų4227.8 Ų27.816%0.15813%0.126CC..Hα-helixtrans-62.9-43.5176-170.3177-174.6176.36.3111.4P341 E343 N349 Q350 R468P341-R346 HydrophobicContact CB-CB 4.09Å; P341-R346 HydrophobicContact CB-CG 3.93Å; P341-R346 HydrophobicContact CG-CG 4.1Å; E343-R346 HydrophobicContact CB-CB 4.27Å; E343-R346 PolarHBondContact O-N 3.16Å; R346-N349 PolarHBondContact O-N 3.25Å; R346-Q350 WeakPolarHBondContact O-CB 3.35Å; R346-Q350 PolarHBondContact O-N 2.84Å; R346-R468 VanDerWaalsContact NH2-CG 3.29Å
347W93.1Very high92Very high1 Ų127.9 Ų27.90%0.00413%0.127CC..Hα-helixtrans-56.9-49172.2171.185.6000111.3I252 S256 P341 E343 Y344 N349 Q350 Q351 Y439 L442 L447I252-W347 HydrophobicContact CG2-CB 3.61Å; I252-W347 HydrophobicContact CG2-CD2 4.07Å; I252-W347 HydrophobicContact CG2-CG 3.48Å; I252-W347 VanDerWaalsContact CG2-CG 3.48Å; S256-W347 PolarHBondContact OG-NE1 3.4Å; P341-W347 HydrophobicContact CB-CB 4.17Å; E343-W347 WeakPolarHBondContact O-CB 3Å; E343-W347 PolarHBondContact O-N 3.02Å; Y344-W347 AromaticContact CD2-CE3 3.95Å; Y344-W347 HydrophobicContact CD2-CE3 3.95Å; Y344-W347 HydrophobicContact CD2-CZ3 4.13Å; Y344-W347 HydrophobicContact CE2-CE3 4.03Å; Y344-W347 AromaticContact CE2-CZ3 3.77Å; Y344-W347 HydrophobicContact CE2-CZ3 3.77Å; Y344-W347 PolarHBondContact O-N 3.37Å; W347-N349 PolarHBondContact O-N 3.2Å; W347-Q350 WeakPolarHBondContact O-CB 3.34Å; W347-Q350 PolarHBondContact O-N 2.74Å; W347-Q350 VanDerWaalsContact O-N 3.13Å; W347-Q351 HydrophobicContact CD2-CG 3.98Å; W347-Q351 HydrophobicContact CG-CG 4.35Å; W347-Q351 HydrophobicContact CH2-CG 4.46Å; W347-Q351 HydrophobicContact CZ2-CG 3.89Å; W347-Q351 VanDerWaalsContact O-CG 3.28Å; W347-Q351 WeakPolarHBondContact O-CG 3.45Å; W347-Q351 PolarHBondContact O-N 3.2Å; W347-Y439 HydrophobicContact CZ2-CE2 4.45Å; W347-L442 HydrophobicContact CH2-CB 4Å; W347-L442 HydrophobicContact CH2-CD1 4.23Å; W347-L442 HydrophobicContact CH2-CD2 4.45Å; W347-L442 HydrophobicContact CH2-CG 4.48Å; W347-L442 HydrophobicContact CZ2-CD1 4.23Å; W347-L447 HydrophobicContact CH2-CD1 4.33Å; W347-L447 HydrophobicContact CH2-CD2 3.58Å; W347-L447 HydrophobicContact CH2-CG 3.86Å; W347-L447 HydrophobicContact CZ2-CD1 4.3Å; W347-L447 HydrophobicContact CZ2-CD2 3.86Å; W347-L447 HydrophobicContact CZ2-CG 4.27Å; W347-L447 HydrophobicContact CZ3-CD2 4.33Å
348L92.8Very high91.8Very high0 Ų029.9 Ų29.90%013%0.134CC..Hα-helixtrans-62.4-40.8-178.6-17758.3000112.7Y344 L345 Q351 T352 A450 G477 L478 V481Y344-L348 HydrophobicContact CE1-CD2 4.04Å; Y344-L348 WeakPolarHBondContact O-CB 3.18Å; Y344-L348 PolarHBondContact O-N 3.46Å; L345-L348 PolarHBondContact O-N 2.83Å; L348-Q351 PolarHBondContact O-N 3.45Å; L348-T352 WeakPolarHBondContact O-CB 3.41Å; L348-T352 PolarHBondContact O-N 3.15Å; L348-T352 PolarHBondContact O-OG1 3.22Å; L348-A450 HydrophobicContact CD1-CB 4.06Å; L348-G477 WeakPolarHBondContact CD2-O 3.39Å; L348-L478 HydrophobicContact CD2-CD2 4.46Å; L348-V481 HydrophobicContact CD1-CG2 4.42Å; L348-V481 HydrophobicContact CD2-CG2 3.68Å
349N90.2Very high91.7Very high18 Ų1830.3 Ų30.310%0.09614%0.136CC..Hα-helixtrans-62.9-43174.2-70.3-32000111.5L345 R346 W347 T352 R353 N474 G477L345-N349 PolarHBondContact O-N 3.1Å; L345-N349 PolarHBondContact O-ND2 3.46Å; R346-N349 PolarHBondContact O-N 3.25Å; W347-N349 PolarHBondContact O-N 3.2Å; N349-T352 PolarHBondContact O-N 3.25Å; N349-R353 PolarHBondContact O-N 3.25Å; N349-N474 PolarHBondContact ND2-O 3.21Å; N349-G477 VanDerWaalsContact OD1-CA 3.23Å; N349-G477 WeakPolarHBondContact OD1-CA 3.43Å; N349-G477 PolarHBondContact OD1-N 3.42Å; N349-G477 VanDerWaalsContact OD1-N 3.08Å
350Q90.7Very high91.7Very high17 Ų1730.2 Ų30.28%0.07914%0.135CC..Hα-helixtrans-60.3-46.8175-173.7-170.96900111.3R346 W347 T352 R353 W354 T465R346-Q350 WeakPolarHBondContact O-CB 3.35Å; R346-Q350 PolarHBondContact O-N 2.84Å; W347-Q350 WeakPolarHBondContact O-CB 3.34Å; W347-Q350 PolarHBondContact O-N 2.74Å; W347-Q350 VanDerWaalsContact O-N 3.13Å; Q350-T352 VanDerWaalsContact C-N 3.33Å; Q350-T352 PolarHBondContact O-N 3.33Å; Q350-R353 WeakPolarHBondContact O-CB 3.35Å; Q350-R353 PolarHBondContact O-N 3.03Å; Q350-W354 HydrophobicContact CG-CD2 4.32Å; Q350-W354 HydrophobicContact CG-CH2 4.25Å; Q350-W354 HydrophobicContact CG-CZ2 3.59Å; Q350-W354 PolarHBondContact O-N 3.47Å; Q350-T465 HydrophobicContact CB-CG2 4.39Å
351Q92.8Very high91.7Very high23 Ų2330.3 Ų30.311%0.10714%0.135CC..Hα-helixtrans-64.7-36.5178.6-64.3-58.7-65.600112.7W347 L348 W354 S355 L447W347-Q351 HydrophobicContact CD2-CG 3.98Å; W347-Q351 HydrophobicContact CG-CG 4.35Å; W347-Q351 HydrophobicContact CH2-CG 4.46Å; W347-Q351 HydrophobicContact CZ2-CG 3.89Å; W347-Q351 VanDerWaalsContact O-CG 3.28Å; W347-Q351 WeakPolarHBondContact O-CG 3.45Å; W347-Q351 PolarHBondContact O-N 3.2Å; L348-Q351 PolarHBondContact O-N 3.45Å; Q351-W354 PolarHBondContact O-N 3.49Å; Q351-S355 WeakPolarHBondContact O-CB 3.4Å; Q351-S355 PolarHBondContact O-N 2.91Å; Q351-S355 PolarHBondContact O-OG 2.83Å; Q351-L447 HydrophobicContact CB-CD2 3.49Å; Q351-L447 VanDerWaalsContact CB-CD2 3.49Å; Q351-L447 HydrophobicContact CG-CD2 3.63Å
352T91.6Very high91.8Very high10 Ų1032.5 Ų32.56%0.06114%0.143CC..Hα-helixtrans-63.3-46174.7-57.40000110.4L348 N349 Q350 W354 S355 K356 F453 A454L348-T352 WeakPolarHBondContact O-CB 3.41Å; L348-T352 PolarHBondContact O-N 3.15Å; L348-T352 PolarHBondContact O-OG1 3.22Å; N349-T352 PolarHBondContact O-N 3.25Å; Q350-T352 VanDerWaalsContact C-N 3.33Å; Q350-T352 PolarHBondContact O-N 3.33Å; T352-W354 PolarHBondContact O-N 3.01Å; T352-S355 WeakPolarHBondContact O-CB 3.41Å; T352-S355 PolarHBondContact O-N 3.46Å; T352-K356 WeakPolarHBondContact O-CG 3.46Å; T352-K356 PolarHBondContact O-N 3.05Å; T352-F453 HydrophobicContact CG2-CD1 4.02Å; T352-A454 HydrophobicContact CG2-CB 4.38Å
353R89.4Confident91.8Very high50 Ų5032.6 Ų32.619%0.18914%0.144CC..Hα-helixtrans-60-45.1175.5179.9174.56288.1-7.3112F311 N349 Q350 S355 K356 S357F311-R353 HydrophobicContact CB-CG 4.22Å; F311-R353 HydrophobicContact CD1-CG 4.22Å; F311-R353 HydrophobicContact CD2-CG 4.07Å; F311-R353 HydrophobicContact CG-CG 3.9Å; N349-R353 PolarHBondContact O-N 3.25Å; Q350-R353 WeakPolarHBondContact O-CB 3.35Å; Q350-R353 PolarHBondContact O-N 3.03Å; R353-S355 VanDerWaalsContact C-N 3.28Å; R353-S355 PolarHBondContact O-N 3.03Å; R353-K356 WeakPolarHBondContact O-CB 3.2Å; R353-K356 PolarHBondContact O-N 3.09Å; R353-S357 PolarHBondContact O-N 3.24Å; R353-S357 VanDerWaalsContact O-N 3.12Å
354W91.6Very high91.8Very high77 Ų7729.8 Ų29.829%0.29213%0.129SC..Hα-helixtrans-63.4-35.3176.6-67.8-2.7000112.8Y260 R315 Q350 Q351 T352 Y358Y260-W354 HydrophobicContact CE2-CH2 4.34Å; Y260-W354 HydrophobicContact CE2-CZ3 4.35Å; Y260-W354 WeakPolarHBondContact OH-CH2 3.11Å; R315-W354 PolarHBondContact NH1-O 3.26Å; R315-W354 VanDerWaalsContact NH1-O 3.16Å; Q350-W354 HydrophobicContact CG-CD2 4.32Å; Q350-W354 HydrophobicContact CG-CH2 4.25Å; Q350-W354 HydrophobicContact CG-CZ2 3.59Å; Q350-W354 PolarHBondContact O-N 3.47Å; Q351-W354 PolarHBondContact O-N 3.49Å; T352-W354 PolarHBondContact O-N 3.01Å; W354-Y358 WeakPolarHBondContact O-CB 3.46Å; W354-Y358 PolarHBondContact O-N 2.73Å
355S92.8Very high91.8Very high13 Ų1326.3 Ų26.39%0.09112%0.116CC..Hα-helixtrans-66.9-39.2175.4-60.40000111.7Q351 T352 R353 Y358 F359Q351-S355 WeakPolarHBondContact O-CB 3.4Å; Q351-S355 PolarHBondContact O-N 2.91Å; Q351-S355 PolarHBondContact O-OG 2.83Å; T352-S355 WeakPolarHBondContact O-CB 3.41Å; T352-S355 PolarHBondContact O-N 3.46Å; R353-S355 VanDerWaalsContact C-N 3.28Å; R353-S355 PolarHBondContact O-N 3.03Å; S355-Y358 WeakPolarHBondContact O-CB 3.49Å; S355-Y358 PolarHBondContact O-N 3.21Å; S355-Y358 VanDerWaalsContact O-N 3.14Å; S355-F359 WeakPolarHBondContact O-CD2 3.21Å; S355-F359 PolarHBondContact O-N 3.3Å; S355-F359 VanDerWaalsContact O-N 3.08Å
356K90.3Very high91.9Very high11 Ų1127.2 Ų27.25%0.04813%0.127CC..Hα-helixtrans-60.5-52.4174.2-69.9-174.4178.5-160.10111.7T352 R353 Y358 F359 R360 A454 T457T352-K356 WeakPolarHBondContact O-CG 3.46Å; T352-K356 PolarHBondContact O-N 3.05Å; R353-K356 WeakPolarHBondContact O-CB 3.2Å; R353-K356 PolarHBondContact O-N 3.09Å; K356-Y358 PolarHBondContact O-N 3.23Å; K356-F359 PolarHBondContact O-N 2.64Å; K356-R360 PolarHBondContact O-N 2.89Å; K356-R360 VanDerWaalsContact O-N 3.15Å; K356-A454 HydrophobicContact CB-CB 4.46Å; K356-A454 HydrophobicContact CG-CB 3.58Å; K356-T457 WeakPolarHBondContact CE-O 3.4Å; K356-T457 WeakPolarHBondContact CE-OG1 3.44Å; K356-T457 PolarHBondContact NZ-O 2.83Å; K356-T457 PolarHBondContact NZ-OG1 2.9Å
357S89.8Confident92Very high6 Ų629.8 Ų29.84%0.04214%0.142CC..Hα-helixtrans-56.7-37.1174.61650000110.7G312 R315 R353 E361G312-S357 VanDerWaalsContact CA-OG 3.24Å; G312-S357 WeakPolarHBondContact CA-OG 3.45Å; R315-S357 PolarHBondContact NH1-OG 2.84Å; R353-S357 PolarHBondContact O-N 3.24Å; R353-S357 VanDerWaalsContact O-N 3.12Å; S357-E361 VanDerWaalsContact O-CB 3.23Å; S357-E361 WeakPolarHBondContact O-CB 3.24Å; S357-E361 VanDerWaalsContact O-CG 3.24Å; S357-E361 WeakPolarHBondContact O-CG 3.37Å; S357-E361 PolarHBondContact O-N 2.93Å
358Y93.4Very high92Very high51 Ų5132.5 Ų32.520%0.215%0.152CC..Hα-helixtrans-64.1-53.1-176.7172.7-95.8000111.2R315 W354 S355 K356 R360 E361 W362 T383R315-Y358 VanDerWaalsContact NH1-CB 3.34Å; W354-Y358 WeakPolarHBondContact O-CB 3.46Å; W354-Y358 PolarHBondContact O-N 2.73Å; S355-Y358 WeakPolarHBondContact O-CB 3.49Å; S355-Y358 PolarHBondContact O-N 3.21Å; S355-Y358 VanDerWaalsContact O-N 3.14Å; K356-Y358 PolarHBondContact O-N 3.23Å; Y358-R360 VanDerWaalsContact C-N 3.32Å; Y358-R360 PolarHBondContact O-N 3.11Å; Y358-E361 PolarHBondContact O-N 3.49Å; Y358-W362 WeakPolarHBondContact O-CB 3.3Å; Y358-W362 PolarHBondContact O-N 3.4Å; Y358-T383 PolarHBondContact OH-OG1 2.82Å
359F93.3Very high92.1Very high15 Ų1533.6 Ų33.67%0.06616%0.157CC..Hα-helixtrans-66.2-36.2-178.2-72.1-69000112.5S355 K356 W362 L363 K451 I455 I458S355-F359 WeakPolarHBondContact O-CD2 3.21Å; S355-F359 PolarHBondContact O-N 3.3Å; S355-F359 VanDerWaalsContact O-N 3.08Å; K356-F359 PolarHBondContact O-N 2.64Å; F359-W362 PolarHBondContact O-N 3.12Å; F359-L363 WeakPolarHBondContact O-CG 3.3Å; F359-L363 PolarHBondContact O-N 3.3Å; F359-L363 VanDerWaalsContact O-N 3.08Å; F359-K451 HydrophobicContact CE2-CB 4.03Å; F359-K451 HydrophobicContact CE2-CG 4.25Å; F359-K451 HydrophobicContact CZ-CB 4.39Å; F359-I455 HydrophobicContact CB-CG1 4.35Å; F359-I455 HydrophobicContact CD1-CD1 4.13Å; F359-I455 HydrophobicContact CD1-CG1 4.1Å; F359-I455 HydrophobicContact CD2-CD1 4.02Å; F359-I455 HydrophobicContact CD2-CG1 3.42Å; F359-I455 VanDerWaalsContact CD2-CG1 3.42Å; F359-I455 HydrophobicContact CE1-CD1 3.86Å; F359-I455 HydrophobicContact CE1-CG1 4.26Å; F359-I455 HydrophobicContact CE2-CD1 3.74Å; F359-I455 HydrophobicContact CE2-CG1 3.61Å; F359-I455 HydrophobicContact CG-CD1 4.21Å; F359-I455 HydrophobicContact CG-CG1 3.69Å; F359-I455 HydrophobicContact CZ-CD1 3.66Å; F359-I455 HydrophobicContact CZ-CG1 4.04Å; F359-I458 HydrophobicContact CB-CD1 4.02Å
360R92.5Very high92.4Very high17 Ų1734 Ų346%0.06416%0.158CC..Hα-helixtrans-63.2-51.8175.7-172.5-170.564.6-141-3.8111.4F304 C309 F311 K356 Y358 W362 L363 Y364 I458F304-R360 HydrophobicContact CB-CG 4.11Å; F304-R360 HydrophobicContact CD1-CG 4.17Å; F304-R360 HydrophobicContact CD2-CG 3.48Å; F304-R360 VanDerWaalsContact CD2-CG 3.48Å; F304-R360 HydrophobicContact CE1-CG 4.49Å; F304-R360 HydrophobicContact CE2-CG 3.83Å; F304-R360 HydrophobicContact CG-CG 3.65Å; F304-R360 HydrophobicContact CZ-CG 4.32Å; C309-R360 VanDerWaalsContact SG-CD 3.53Å; F311-R360 VanDerWaalsContact O-CZ 3.3Å; F311-R360 PolarHBondContact O-NH1 3Å; F311-R360 VanDerWaalsContact O-NH1 3.08Å; F311-R360 PolarHBondContact O-NH2 3.38Å; K356-R360 PolarHBondContact O-N 2.89Å; K356-R360 VanDerWaalsContact O-N 3.15Å; Y358-R360 VanDerWaalsContact C-N 3.32Å; Y358-R360 PolarHBondContact O-N 3.11Å; R360-W362 VanDerWaalsContact C-N 3.27Å; R360-W362 PolarHBondContact O-N 2.83Å; R360-L363 PolarHBondContact O-N 3.48Å; R360-Y364 PolarHBondContact O-N 3.26Å; R360-I458 HydrophobicContact CB-CD1 4.08Å; R360-I458 HydrophobicContact CB-CG1 4.42Å
361E92.8Very high92.6Very high2 Ų237.4 Ų37.41%0.00917%0.172CC..Hα-helixtrans-69.1-27179.5-69.9-41.7131.300112.5Q302 R315 H316 N319 S357 Y358 Y364 N365Q302-E361 PolarHBondContact NE2-OE1 2.8Å; R315-E361 HydrophobicContact CB-CG 3.94Å; R315-E361 HydrophobicContact CG-CB 3.69Å; R315-E361 HydrophobicContact CG-CG 3.66Å; H316-E361 WeakPolarHBondContact CA-OE2 3.27Å; H316-E361 IonicContact CE1-OE2 3.62Å; H316-E361 IonicContact CG-OE1 3Å; H316-E361 IonicContact CG-OE2 2.76Å; H316-E361 IonicContact ND1-OE1 3.24Å; H316-E361 IonicContact ND1-OE2 3.57Å; H316-E361 PolarHBondContact ND1-OE2 3.46Å; N319-E361 VanDerWaalsContact ND2-CB 3.33Å; N319-E361 WeakPolarHBondContact ND2-CB 3.32Å; N319-E361 PolarHBondContact ND2-O 3.21Å; N319-E361 PolarHBondContact ND2-OE2 3.13Å; S357-E361 VanDerWaalsContact O-CB 3.23Å; S357-E361 WeakPolarHBondContact O-CB 3.24Å; S357-E361 VanDerWaalsContact O-CG 3.24Å; S357-E361 WeakPolarHBondContact O-CG 3.37Å; S357-E361 PolarHBondContact O-N 2.93Å; Y358-E361 PolarHBondContact O-N 3.49Å; E361-Y364 PolarHBondContact O-N 3.25Å; E361-N365 WeakPolarHBondContact O-CB 3.36Å; E361-N365 PolarHBondContact O-N 3.16Å
362W93.4Very high92.8Very high49 Ų4937.7 Ų37.719%0.18617%0.174CC..Hα-helixtrans-64.9-44.8172.6176.487.9000111.2Y358 F359 R360 N365 A366 A380 F385Y358-W362 WeakPolarHBondContact O-CB 3.3Å; Y358-W362 PolarHBondContact O-N 3.4Å; F359-W362 PolarHBondContact O-N 3.12Å; R360-W362 VanDerWaalsContact C-N 3.27Å; R360-W362 PolarHBondContact O-N 2.83Å; W362-N365 PolarHBondContact O-N 3.4Å; W362-A366 PolarHBondContact O-N 3.36Å; W362-A366 VanDerWaalsContact O-N 3.07Å; W362-A380 PolarHBondContact NE1-O 3.27Å; W362-F385 HydrophobicContact CH2-CE2 4.1Å; W362-F385 HydrophobicContact CH2-CZ 4.32Å; W362-F385 HydrophobicContact CZ2-CE2 4.04Å
363L92.6Very high93Very high82 Ų8241.9 Ų41.943%0.42919%0.192SC..Hα-helixtrans-62.4-42.8172.5-69.3172000111.6F304 F359 R360 A366F304-L363 HydrophobicContact CE2-CD1 4.1Å; F304-L363 HydrophobicContact CZ-CD1 3.95Å; F359-L363 WeakPolarHBondContact O-CG 3.3Å; F359-L363 PolarHBondContact O-N 3.3Å; F359-L363 VanDerWaalsContact O-N 3.08Å; R360-L363 PolarHBondContact O-N 3.48Å; L363-A366 PolarHBondContact O-N 2.89Å
364Y91.6Very high93.4Very high43 Ų4343.1 Ų43.117%0.16920%0.203CC..Hα-helixtrans-62.6-45.8177.4-174.6-94.5000111.7H316 N319 R320 R360 E361 A366 M367 W368H316-Y364 AromaticContact CE1-CE1 3.85Å; H316-Y364 AromaticContact CE1-CZ 3.8Å; N319-Y364 HydrophobicContact CB-CD1 3.9Å; N319-Y364 HydrophobicContact CB-CE1 4.1Å; R320-Y364 WeakPolarHBondContact CD-OH 3.39Å; R320-Y364 PolarHBondContact NH1-OH 3.31Å; R320-Y364 VanDerWaalsContact NH1-OH 3.08Å; R360-Y364 PolarHBondContact O-N 3.26Å; E361-Y364 PolarHBondContact O-N 3.25Å; Y364-A366 VanDerWaalsContact C-N 3.29Å; Y364-A366 PolarHBondContact O-N 3.42Å; Y364-M367 HydrophobicContact CD2-CE 3.33Å; Y364-M367 HydrophobicContact CE2-CE 3.59Å; Y364-M367 HydrophobicContact CG-CE 3.88Å; Y364-M367 WeakPolarHBondContact O-CB 3.45Å; Y364-M367 VanDerWaalsContact O-CE 3.29Å; Y364-M367 WeakPolarHBondContact O-CE 3.42Å; Y364-M367 PolarHBondContact O-N 3.04Å; Y364-W368 AromaticContact CD1-NE1 3.59Å; Y364-W368 HydrophobicContact CE1-CZ2 4.07Å; Y364-W368 AromaticContact CE1-NE1 3.39Å; Y364-W368 HydrophobicContact CE2-CZ2 4.15Å; Y364-W368 AromaticContact CZ-CZ2 3.73Å; Y364-W368 AromaticContact CZ-NE1 3.98Å; Y364-W368 PolarHBondContact O-NE1 3.24Å
365N92.1Very high93.7Very high1 Ų140.3 Ų40.31%0.00519%0.192CC..Hα-helixtrans-65.3-33-177.8-165.3-40.5000112.2N319 E361 W362 M367 W368 F369 M376N319-N365 PolarHBondContact OD1-ND2 3.5Å; E361-N365 WeakPolarHBondContact O-CB 3.36Å; E361-N365 PolarHBondContact O-N 3.16Å; W362-N365 PolarHBondContact O-N 3.4Å; N365-M367 PolarHBondContact O-N 3.37Å; N365-W368 PolarHBondContact O-N 3.12Å; N365-F369 HydrophobicContact CB-CE1 4.22Å; N365-F369 WeakPolarHBondContact O-CD1 3.4Å; N365-F369 WeakPolarHBondContact OD1-CD1 3.28Å; N365-F369 VanDerWaalsContact OD1-CE1 3.26Å; N365-F369 WeakPolarHBondContact OD1-CE1 3.3Å; N365-M376 WeakPolarHBondContact ND2-CE 3.49Å; N365-M376 WeakPolarHBondContact OD1-CE 3.32Å
366A93Very high93.8Very high44 Ų4439.7 Ų39.736%0.36419%0.188SC..Hα-helixtrans-54.7-24.8178.500000114.3W362 L363 Y364 W368 F369W362-A366 PolarHBondContact O-N 3.36Å; W362-A366 VanDerWaalsContact O-N 3.07Å; L363-A366 PolarHBondContact O-N 2.89Å; Y364-A366 VanDerWaalsContact C-N 3.29Å; Y364-A366 PolarHBondContact O-N 3.42Å; A366-W368 PolarHBondContact O-N 2.89Å; A366-F369 HydrophobicContact CB-CD2 4.29Å; A366-F369 HydrophobicContact CB-CE2 3.75Å; A366-F369 HydrophobicContact CB-CZ 3.9Å
367M92.2Very high94.2Very high96 Ų9639.4 Ų39.447%0.47319%0.186SC..THydrogen-bonded Turntrans-66.3-19.4175.3-62.4-172.1-76.800113.7Y364 N365 H370Y364-M367 HydrophobicContact CD2-CE 3.33Å; Y364-M367 HydrophobicContact CE2-CE 3.59Å; Y364-M367 HydrophobicContact CG-CE 3.88Å; Y364-M367 WeakPolarHBondContact O-CB 3.45Å; Y364-M367 VanDerWaalsContact O-CE 3.29Å; Y364-M367 WeakPolarHBondContact O-CE 3.42Å; Y364-M367 PolarHBondContact O-N 3.04Å; N365-M367 PolarHBondContact O-N 3.37Å; M367-H370 PolarHBondContact O-CE1 3.2Å; M367-H370 VanDerWaalsContact O-CE1 3.23Å; M367-H370 PolarHBondContact O-ND1 3.4Å
368W93.6Very high94.5Very high57 Ų5740.6 Ų40.622%0.21619%0.19CC..THydrogen-bonded Turntrans-122.56.4-170.3-24.7102.6000114.2Y364 N365 A366 H370 K371Y364-W368 AromaticContact CD1-NE1 3.59Å; Y364-W368 HydrophobicContact CE1-CZ2 4.07Å; Y364-W368 AromaticContact CE1-NE1 3.39Å; Y364-W368 HydrophobicContact CE2-CZ2 4.15Å; Y364-W368 AromaticContact CZ-CZ2 3.73Å; Y364-W368 AromaticContact CZ-NE1 3.98Å; Y364-W368 PolarHBondContact O-NE1 3.24Å; N365-W368 PolarHBondContact O-N 3.12Å; A366-W368 PolarHBondContact O-N 2.89Å; W368-H370 PolarHBondContact O-N 2.99Å; W368-H370 VanDerWaalsContact O-N 3.08Å; W368-K371 HydrophobicContact CB-CD 4.46Å; W368-K371 WeakPolarHBondContact O-CB 3.19Å; W368-K371 PolarHBondContact O-N 2.94Å
369F95.1Very high94.6Very high23 Ų2338.4 Ų38.410%0.10118%0.182CC..G310 helixtrans-53.2-34.2-179.1-72.7-16.2000113.7T15 N365 A366 K371 H372 M376 T377 A380T15-F369 HydrophobicContact CG2-CB 3.79Å; N365-F369 HydrophobicContact CB-CE1 4.22Å; N365-F369 WeakPolarHBondContact O-CD1 3.4Å; N365-F369 WeakPolarHBondContact OD1-CD1 3.28Å; N365-F369 VanDerWaalsContact OD1-CE1 3.26Å; N365-F369 WeakPolarHBondContact OD1-CE1 3.3Å; A366-F369 HydrophobicContact CB-CD2 4.29Å; A366-F369 HydrophobicContact CB-CE2 3.75Å; A366-F369 HydrophobicContact CB-CZ 3.9Å; F369-K371 PolarHBondContact O-N 3.48Å; F369-H372 PolarHBondContact O-N 3.24Å; F369-H372 VanDerWaalsContact O-N 3.13Å; F369-M376 HydrophobicContact CD1-CG 4.23Å; F369-M376 HydrophobicContact CD1-SD 4.11Å; F369-M376 HydrophobicContact CE1-CG 4.41Å; F369-T377 WeakPolarHBondContact CB-OG1 3.38Å; F369-T377 HydrophobicContact CD2-CG2 4.01Å; F369-A380 HydrophobicContact CE1-CB 4.13Å; F369-A380 HydrophobicContact CE2-CB 4.01Å; F369-A380 HydrophobicContact CZ-CB 3.44Å; F369-A380 VanDerWaalsContact CZ-CB 3.44Å
370H95.2Very high94.7Very high28 Ų2837.7 Ų37.713%0.1318%0.179CC..G310 helixtrans-65.6-14.6178.666.5-86.1000114.6R11 I12 M367 W368R11-H370 HydrophobicContact CB-CB 4.2Å; I12-H370 HydrophobicContact CB-CB 4.43Å; I12-H370 HydrophobicContact CG1-CB 3.86Å; I12-H370 VanDerWaalsContact CG1-CG 3.4Å; M367-H370 PolarHBondContact O-CE1 3.2Å; M367-H370 VanDerWaalsContact O-CE1 3.23Å; M367-H370 PolarHBondContact O-ND1 3.4Å; W368-H370 PolarHBondContact O-N 2.99Å; W368-H370 VanDerWaalsContact O-N 3.08Å
371K95.8Very high94.8Very high87 Ų8737.6 Ų37.638%0.37818%0.18SC..G310 helixtrans-84.5-13.4176.1-58.7-169.2179.2-1740112.7S323 W368 F369S323-K371 WeakPolarHBondContact O-CD 3.22Å; S323-K371 PolarHBondContact O-NZ 3.29Å; W368-K371 HydrophobicContact CB-CD 4.46Å; W368-K371 WeakPolarHBondContact O-CB 3.19Å; W368-K371 PolarHBondContact O-N 2.94Å; F369-K371 PolarHBondContact O-N 3.48Å
372H96.6Very high94.8Very high29 Ų2938.1 Ų38.113%0.13418%0.183CC..SBendtrans-123.8173-169.3-65.8-65.5000112.5L322 Y326 F369 M376L322-H372 VanDerWaalsContact CD2-CE1 3.4Å; L322-H372 WeakPolarHBondContact CD2-CE1 3.13Å; L322-H372 PolarHBondContact O-CE1 2.9Å; L322-H372 PolarHBondContact O-NE2 2.95Å; Y326-H372 PolarHBondContact O-CE1 3.09Å; F369-H372 PolarHBondContact O-N 3.24Å; F369-H372 VanDerWaalsContact O-N 3.13Å; H372-M376 HydrophobicContact CB-CB 4.46Å; H372-M376 HydrophobicContact CB-SD 3.51Å; H372-M376 VanDerWaalsContact CB-SD 3.51Å
373H97Very high94.7Very high98 Ų9838 Ų3845%0.45419%0.187SC..  trans-61.6144177.3-170.4-92.5000112F274 W375 M376F274-H373 HydrophobicContact CB-CB 4.18Å; F274-H373 AromaticContact CD1-CE1 3.23Å; F274-H373 WeakPolarHBondContact CD1-CE1 3.24Å; F274-H373 AromaticContact CD1-CG 3.68Å; F274-H373 AromaticContact CD1-ND1 3.15Å; F274-H373 WeakPolarHBondContact CD1-ND1 3.19Å; F274-H373 AromaticContact CD1-NE2 3.76Å; F274-H373 AromaticContact CE1-CE1 3.26Å; F274-H373 WeakPolarHBondContact CE1-CE1 3.25Å; F274-H373 AromaticContact CE1-ND1 3.66Å; F274-H373 AromaticContact CE1-NE2 3.86Å; F274-H373 AromaticContact CG-ND1 3.69Å; H373-W375 VanDerWaalsContact ND1-CB 3.32Å; H373-W375 WeakPolarHBondContact ND1-CB 3.36Å; H373-W375 PolarHBondContact ND1-N 2.82Å; H373-W375 VanDerWaalsContact ND1-N 3.12Å; H373-W375 PolarHBondContact O-N 2.98Å; H373-M376 VanDerWaalsContact O-CB 3.27Å; H373-M376 WeakPolarHBondContact O-CB 3.21Å; H373-M376 PolarHBondContact O-N 3.02Å
374L96.8Very high94.7Very high77 Ų7734.2 Ų34.240%0.40317%0.168SC..Hα-helixtrans-57.3-22.7-177.8-69.5177.3000114.2T15 F18 M376 T377 Y378T15-L374 HydrophobicContact CG2-CD2 4.37Å; F18-L374 HydrophobicContact CD1-CD2 3.98Å; F18-L374 HydrophobicContact CE1-CB 4.2Å; F18-L374 HydrophobicContact CE1-CD2 4.46Å; F18-L374 HydrophobicContact CG-CD2 4.32Å; L374-M376 PolarHBondContact O-N 2.96Å; L374-T377 PolarHBondContact O-N 3.25Å; L374-Y378 WeakPolarHBondContact O-CB 3.49Å; L374-Y378 PolarHBondContact O-N 3.36Å
375W97.1Very high94.7Very high18 Ų1835.1 Ų35.17%0.06817%0.173CC..Hα-helixtrans-54.5-38.2172.7-178.2-99.1000112.1I59 Q60 C270 F274 H373 Y378 E379I59-W375 HydrophobicContact CB-CH2 4.36Å; I59-W375 HydrophobicContact CB-CZ3 4.36Å; I59-W375 HydrophobicContact CG2-CE3 4.45Å; I59-W375 HydrophobicContact CG2-CH2 3.75Å; I59-W375 HydrophobicContact CG2-CZ3 3.43Å; I59-W375 VanDerWaalsContact CG2-CZ3 3.43Å; Q60-W375 HydrophobicContact CB-CH2 4.17Å; Q60-W375 HydrophobicContact CB-CZ2 4.09Å; Q60-W375 HydrophobicContact CG-CZ2 4.24Å; C270-W375 WeakPolarHBondContact SG-CZ2 3.45Å; F274-W375 HydrophobicContact CB-CB 4.11Å; F274-W375 HydrophobicContact CB-CG 4.44Å; F274-W375 HydrophobicContact CD1-CB 4.13Å; F274-W375 HydrophobicContact CD2-CB 3.51Å; F274-W375 AromaticContact CD2-CD1 3.41Å; F274-W375 VanDerWaalsContact CD2-CD1 3.41Å; F274-W375 AromaticContact CD2-CD2 3.76Å; F274-W375 HydrophobicContact CD2-CD2 3.76Å; F274-W375 AromaticContact CD2-CG 3.23Å; F274-W375 HydrophobicContact CD2-CG 3.23Å; F274-W375 AromaticContact CD2-NE1 3.98Å; F274-W375 HydrophobicContact CE1-CB 4.43Å; F274-W375 HydrophobicContact CE2-CB 3.85Å; F274-W375 AromaticContact CE2-CD1 3.99Å; F274-W375 AromaticContact CE2-CD2 3.5Å; F274-W375 HydrophobicContact CE2-CD2 3.5Å; F274-W375 VanDerWaalsContact CE2-CD2 3.5Å; F274-W375 AromaticContact CE2-CE3 3.86Å; F274-W375 HydrophobicContact CE2-CE3 3.86Å; F274-W375 AromaticContact CE2-CG 3.48Å; F274-W375 HydrophobicContact CE2-CG 3.48Å; F274-W375 VanDerWaalsContact CE2-CG 3.48Å; F274-W375 HydrophobicContact CG-CB 3.65Å; F274-W375 AromaticContact CG-CG 3.89Å; F274-W375 HydrophobicContact CG-CG 3.89Å; F274-W375 HydrophobicContact CZ-CB 4.29Å; F274-W375 HydrophobicContact CZ-CD2 4.32Å; F274-W375 HydrophobicContact CZ-CE3 4.3Å; F274-W375 HydrophobicContact CZ-CG 4.32Å; H373-W375 VanDerWaalsContact ND1-CB 3.32Å; H373-W375 WeakPolarHBondContact ND1-CB 3.36Å; H373-W375 PolarHBondContact ND1-N 2.82Å; H373-W375 VanDerWaalsContact ND1-N 3.12Å; H373-W375 PolarHBondContact O-N 2.98Å; W375-Y378 HydrophobicContact CD2-CD1 4.24Å; W375-Y378 AromaticContact CE3-CD1 3.73Å; W375-Y378 HydrophobicContact CE3-CD1 3.73Å; W375-Y378 HydrophobicContact CE3-CE1 4.14Å; W375-Y378 HydrophobicContact CH2-CD1 4.03Å; W375-Y378 AromaticContact CH2-CE1 3.7Å; W375-Y378 HydrophobicContact CH2-CE1 3.7Å; W375-Y378 HydrophobicContact CZ2-CD1 4.48Å; W375-Y378 HydrophobicContact CZ2-CE1 4.41Å; W375-Y378 AromaticContact CZ3-CD1 3.61Å; W375-Y378 HydrophobicContact CZ3-CD1 3.61Å; W375-Y378 AromaticContact CZ3-CE1 3.52Å; W375-Y378 HydrophobicContact CZ3-CE1 3.52Å; W375-Y378 PolarHBondContact O-N 2.88Å; W375-E379 VanDerWaalsContact O-CB 3.3Å; W375-E379 WeakPolarHBondContact O-CB 3.3Å; W375-E379 PolarHBondContact O-N 3.42Å
376M96.7Very high94.6Very high0 Ų037.7 Ų37.70%019%0.185CC..Hα-helixtrans-60.6-47.8178.3-169.4-176.2-16200111.4C276 Q278 L322 N365 F369 H372 H373 L374 A380C276-M376 HydrophobicContact CB-CB 3.99Å; C276-M376 HydrophobicContact CB-CG 4.11Å; C276-M376 HydrophobicContact CB-SD 4.15Å; Q278-M376 HydrophobicContact CG-CE 4.14Å; L322-M376 HydrophobicContact CD1-CE 3.72Å; L322-M376 HydrophobicContact CD2-CE 4.34Å; L322-M376 HydrophobicContact CG-CE 4.49Å; N365-M376 WeakPolarHBondContact ND2-CE 3.49Å; N365-M376 WeakPolarHBondContact OD1-CE 3.32Å; F369-M376 HydrophobicContact CD1-CG 4.23Å; F369-M376 HydrophobicContact CD1-SD 4.11Å; F369-M376 HydrophobicContact CE1-CG 4.41Å; H372-M376 HydrophobicContact CB-CB 4.46Å; H372-M376 HydrophobicContact CB-SD 3.51Å; H372-M376 VanDerWaalsContact CB-SD 3.51Å; H373-M376 VanDerWaalsContact O-CB 3.27Å; H373-M376 WeakPolarHBondContact O-CB 3.21Å; H373-M376 PolarHBondContact O-N 3.02Å; L374-M376 PolarHBondContact O-N 2.96Å; M376-A380 WeakPolarHBondContact O-CB 3.48Å; M376-A380 PolarHBondContact O-N 3Å
377T97.1Very high94.6Very high4 Ų435.7 Ų35.73%0.02517%0.168CC..Hα-helixtrans-64.8-44.9176.1-48.70000111.5T15 F18 F369 L374 A380 V381T15-T377 HydrophobicContact CG2-CG2 4.02Å; T15-T377 WeakPolarHBondContact CG2-OG1 3.32Å; F18-T377 HydrophobicContact CD1-CG2 4.08Å; F18-T377 HydrophobicContact CE1-CG2 4.49Å; F369-T377 WeakPolarHBondContact CB-OG1 3.38Å; F369-T377 HydrophobicContact CD2-CG2 4.01Å; L374-T377 PolarHBondContact O-N 3.25Å; T377-A380 PolarHBondContact O-N 2.8Å; T377-V381 WeakPolarHBondContact O-CG2 3.44Å; T377-V381 PolarHBondContact O-N 2.9Å
378Y96.6Very high94.6Very high32 Ų3235 Ų3513%0.12516%0.163CC..Hα-helixtrans-57.5-53.3177.2167.6-95.9000111.3L22 H56 L374 W375 A380 V381 I382L22-Y378 HydrophobicContact CD1-CD2 4.14Å; L22-Y378 HydrophobicContact CD1-CE2 4.24Å; L22-Y378 HydrophobicContact CD2-CD2 3.48Å; L22-Y378 VanDerWaalsContact CD2-CD2 3.48Å; L22-Y378 HydrophobicContact CD2-CE2 4.22Å; L22-Y378 HydrophobicContact CD2-CG 4.21Å; L22-Y378 HydrophobicContact CG-CD2 4.46Å; H56-Y378 WeakPolarHBondContact CB-OH 3.36Å; H56-Y378 AromaticContact ND1-CE1 3.32Å; H56-Y378 VanDerWaalsContact ND1-CE1 3.32Å; H56-Y378 WeakPolarHBondContact ND1-CE1 3.38Å; H56-Y378 AromaticContact ND1-CZ 3.66Å; H56-Y378 PolarHBondContact ND1-OH 2.64Å; L374-Y378 WeakPolarHBondContact O-CB 3.49Å; L374-Y378 PolarHBondContact O-N 3.36Å; W375-Y378 HydrophobicContact CD2-CD1 4.24Å; W375-Y378 AromaticContact CE3-CD1 3.73Å; W375-Y378 HydrophobicContact CE3-CD1 3.73Å; W375-Y378 HydrophobicContact CE3-CE1 4.14Å; W375-Y378 HydrophobicContact CH2-CD1 4.03Å; W375-Y378 AromaticContact CH2-CE1 3.7Å; W375-Y378 HydrophobicContact CH2-CE1 3.7Å; W375-Y378 HydrophobicContact CZ2-CD1 4.48Å; W375-Y378 HydrophobicContact CZ2-CE1 4.41Å; W375-Y378 AromaticContact CZ3-CD1 3.61Å; W375-Y378 HydrophobicContact CZ3-CD1 3.61Å; W375-Y378 AromaticContact CZ3-CE1 3.52Å; W375-Y378 HydrophobicContact CZ3-CE1 3.52Å; W375-Y378 PolarHBondContact O-N 2.88Å; Y378-A380 VanDerWaalsContact C-N 3.33Å; Y378-A380 PolarHBondContact O-N 2.94Å; Y378-V381 PolarHBondContact O-N 3.04Å; Y378-I382 HydrophobicContact CD1-CG1 4.43Å; Y378-I382 HydrophobicContact CD2-CG1 4.25Å; Y378-I382 HydrophobicContact CE1-CG1 4.05Å; Y378-I382 HydrophobicContact CE2-CD1 4.06Å; Y378-I382 HydrophobicContact CE2-CG1 3.83Å; Y378-I382 WeakPolarHBondContact O-CG1 3.5Å; Y378-I382 PolarHBondContact O-N 3.43Å
379E95.4Very high94.5Very high4 Ų433.4 Ų33.42%0.01916%0.157CC..Hα-helixtrans-62.5-41.4-179.9-172.6-173.9-129.400111Q271 Q278 W375 V381 I382 T383Q271-E379 VanDerWaalsContact CD-OE2 3.29Å; Q271-E379 VanDerWaalsContact CG-OE2 3.31Å; Q271-E379 WeakPolarHBondContact CG-OE2 3.31Å; Q271-E379 PolarHBondContact NE2-OE1 3Å; Q271-E379 PolarHBondContact NE2-OE2 3.37Å; Q278-E379 PolarHBondContact NE2-OE2 2.79Å; W375-E379 VanDerWaalsContact O-CB 3.3Å; W375-E379 WeakPolarHBondContact O-CB 3.3Å; W375-E379 PolarHBondContact O-N 3.42Å; E379-V381 VanDerWaalsContact C-N 3.32Å; E379-V381 PolarHBondContact O-N 2.58Å; E379-I382 PolarHBondContact O-N 3.12Å; E379-T383 HydrophobicContact CG-CG2 3.91Å; E379-T383 WeakPolarHBondContact O-CB 3.33Å; E379-T383 WeakPolarHBondContact O-CG2 3.34Å; E379-T383 PolarHBondContact O-N 3.45Å; E379-T383 PolarHBondContact O-OG1 3.18Å
380A95Very high94.3Very high1 Ų133.3 Ų33.31%0.00816%0.157CC..Hα-helixtrans-60-40.2176.800000112.5W362 F369 M376 T377 Y378 G384W362-A380 PolarHBondContact NE1-O 3.27Å; F369-A380 HydrophobicContact CE1-CB 4.13Å; F369-A380 HydrophobicContact CE2-CB 4.01Å; F369-A380 HydrophobicContact CZ-CB 3.44Å; F369-A380 VanDerWaalsContact CZ-CB 3.44Å; M376-A380 WeakPolarHBondContact O-CB 3.48Å; M376-A380 PolarHBondContact O-N 3Å; T377-A380 PolarHBondContact O-N 2.8Å; Y378-A380 VanDerWaalsContact C-N 3.33Å; Y378-A380 PolarHBondContact O-N 2.94Å; A380-G384 WeakPolarHBondContact O-CA 3.18Å; A380-G384 PolarHBondContact O-N 3Å
381V95Very high94.1Very high14 Ų1433 Ų339%0.08516%0.157CC..Hα-helixtrans-68.3-50.9175171.50000110.7L22 L23 T377 Y378 E379 F385L22-V381 HydrophobicContact CD2-CB 3.91Å; L22-V381 HydrophobicContact CD2-CG1 3.94Å; L22-V381 HydrophobicContact CD2-CG2 4.41Å; L22-V381 HydrophobicContact CG-CG1 4.08Å; L23-V381 HydrophobicContact CB-CG1 3.96Å; L23-V381 HydrophobicContact CD1-CG1 4.34Å; T377-V381 WeakPolarHBondContact O-CG2 3.44Å; T377-V381 PolarHBondContact O-N 2.9Å; Y378-V381 PolarHBondContact O-N 3.04Å; E379-V381 VanDerWaalsContact C-N 3.32Å; E379-V381 PolarHBondContact O-N 2.58Å; V381-F385 HydrophobicContact CG1-CD2 4.33Å; V381-F385 WeakPolarHBondContact O-CB 3.4Å; V381-F385 WeakPolarHBondContact O-CD2 3.46Å; V381-F385 PolarHBondContact O-N 3.34Å
382I93.1Very high93.9Very high14 Ų1431 Ų317%0.07216%0.156CC..Hα-helixtrans-58.7-55.6-179-63.1-63.7000110.7I26 Y378 E379 F386I26-I382 HydrophobicContact CD1-CD1 3.35Å; Y378-I382 HydrophobicContact CD1-CG1 4.43Å; Y378-I382 HydrophobicContact CD2-CG1 4.25Å; Y378-I382 HydrophobicContact CE1-CG1 4.05Å; Y378-I382 HydrophobicContact CE2-CD1 4.06Å; Y378-I382 HydrophobicContact CE2-CG1 3.83Å; Y378-I382 WeakPolarHBondContact O-CG1 3.5Å; Y378-I382 PolarHBondContact O-N 3.43Å; E379-I382 PolarHBondContact O-N 3.12Å; I382-F386 WeakPolarHBondContact O-CB 3.49Å; I382-F386 PolarHBondContact O-N 3.06Å
383T90.9Very high93.5Very high45 Ų4531.1 Ų31.128%0.27616%0.159SC..Hα-helixtrans-73.4-31.6-173.859.50000112.9Y358 E379 P387Y358-T383 PolarHBondContact OH-OG1 2.82Å; E379-T383 HydrophobicContact CG-CG2 3.91Å; E379-T383 WeakPolarHBondContact O-CB 3.33Å; E379-T383 WeakPolarHBondContact O-CG2 3.34Å; E379-T383 PolarHBondContact O-N 3.45Å; E379-T383 PolarHBondContact O-OG1 3.18Å; T383-P387 WeakPolarHBondContact O-CD 3.48Å
384G92.1Very high93.2Very high3 Ų326.6 Ų26.63%0.03114%0.138CC..Hα-helixtrans-67.5-44.9176.200000112.4A380 F388A380-G384 WeakPolarHBondContact O-CA 3.18Å; A380-G384 PolarHBondContact O-N 3Å; G384-F388 WeakPolarHBondContact O-CE2 3.35Å
385F92.5Very high92.9Very high63 Ų6326 Ų2628%0.27613%0.134SC..Hα-helixtrans-95.5-21.3-173.5-71-85.7000114.8L23 W362 V381 P387 F388 F389L23-F385 HydrophobicContact CD1-CB 4.05Å; L23-F385 HydrophobicContact CD1-CD1 3.8Å; L23-F385 HydrophobicContact CD1-CD2 3.68Å; L23-F385 HydrophobicContact CD1-CE1 4.14Å; L23-F385 HydrophobicContact CD1-CE2 4.04Å; L23-F385 HydrophobicContact CD1-CG 3.55Å; L23-F385 HydrophobicContact CD1-CZ 4.25Å; L23-F385 HydrophobicContact CD2-CD1 4.45Å; L23-F385 HydrophobicContact CD2-CD2 4.28Å; L23-F385 HydrophobicContact CD2-CE1 3.94Å; L23-F385 HydrophobicContact CD2-CE2 3.75Å; L23-F385 HydrophobicContact CD2-CZ 3.56Å; L23-F385 HydrophobicContact CG-CE2 4.49Å; W362-F385 HydrophobicContact CH2-CE2 4.1Å; W362-F385 HydrophobicContact CH2-CZ 4.32Å; W362-F385 HydrophobicContact CZ2-CE2 4.04Å; V381-F385 HydrophobicContact CG1-CD2 4.33Å; V381-F385 WeakPolarHBondContact O-CB 3.4Å; V381-F385 WeakPolarHBondContact O-CD2 3.46Å; V381-F385 PolarHBondContact O-N 3.34Å; F385-P387 VanDerWaalsContact C-CD 3.43Å; F385-F388 HydrophobicContact CD1-CD2 4.49Å; F385-F388 PolarHBondContact O-N 3.21Å; F385-F389 HydrophobicContact CB-CD2 4.33Å; F385-F389 HydrophobicContact CB-CE2 3.83Å; F385-F389 WeakPolarHBondContact O-CD2 3.19Å; F385-F389 PolarHBondContact O-N 3.4Å
386F90.4Very high92.5Very high55 Ų5530 Ų3024%0.24115%0.154CC..Hα-helixtrans-50.8-43.1178.8175.6-103.5000114.8Y49 L53 I382 F388 F389 L390 Y443Y49-F386 WeakPolarHBondContact OH-CD2 3.44Å; L53-F386 HydrophobicContact CD1-CD2 4.38Å; L53-F386 HydrophobicContact CD1-CE2 3.76Å; L53-F386 HydrophobicContact CD2-CD2 3.77Å; L53-F386 HydrophobicContact CD2-CE2 3.87Å; L53-F386 HydrophobicContact CG-CE2 4.5Å; I382-F386 WeakPolarHBondContact O-CB 3.49Å; I382-F386 PolarHBondContact O-N 3.06Å; F386-F388 VanDerWaalsContact C-N 3.26Å; F386-F388 PolarHBondContact O-N 3.48Å; F386-F389 PolarHBondContact O-N 3.32Å; F386-L390 HydrophobicContact CE1-CD2 3.84Å; F386-L390 HydrophobicContact CZ-CD2 3.96Å; F386-L390 WeakPolarHBondContact O-CB 2.98Å; F386-L390 PolarHBondContact O-N 3.49Å; F386-Y443 HydrophobicContact CE1-CE1 4.35Å
387P92.7Very high92.1Very high1 Ų131.8 Ų31.81%0.00616%0.163CC..Hα-helixtrans-56.9-37.3177.1-26.336.2000113.6T383 F385 L390 I391 L448 K451T383-P387 WeakPolarHBondContact O-CD 3.48Å; F385-P387 VanDerWaalsContact C-CD 3.43Å; P387-L390 PolarHBondContact O-N 3.01Å; P387-I391 VanDerWaalsContact O-CG1 3.26Å; P387-I391 WeakPolarHBondContact O-CG1 3.37Å; P387-I391 PolarHBondContact O-N 2.9Å; P387-L448 HydrophobicContact CB-CD1 3.88Å; P387-K451 HydrophobicContact CB-CD 4.34Å; P387-K451 HydrophobicContact CG-CD 4.01Å
388F92.9Very high91.7Very high83 Ų8332.4 Ų32.436%0.36417%0.166SC..Hα-helixtrans-71.2-46.1-178.1-59-89.9000111.6G384 F385 F386 L390 I391 A392 M452 I455G384-F388 WeakPolarHBondContact O-CE2 3.35Å; F385-F388 HydrophobicContact CD1-CD2 4.49Å; F385-F388 PolarHBondContact O-N 3.21Å; F386-F388 VanDerWaalsContact C-N 3.26Å; F386-F388 PolarHBondContact O-N 3.48Å; F388-L390 PolarHBondContact O-N 2.91Å; F388-I391 PolarHBondContact O-N 3.14Å; F388-A392 WeakPolarHBondContact O-CB 2.9Å; F388-A392 PolarHBondContact O-N 3.43Å; F388-M452 HydrophobicContact CD1-CE 4.02Å; F388-M452 HydrophobicContact CD1-SD 4.19Å; F388-M452 HydrophobicContact CE1-CE 3.72Å; F388-M452 HydrophobicContact CE1-SD 4.01Å; F388-I455 HydrophobicContact CE1-CD1 4.29Å; F388-I455 HydrophobicContact CZ-CD1 3.68Å
389F90.7Very high91.3Very high23 Ų2334.9 Ų34.910%0.10118%0.175CC..Hα-helixtrans-59.2-39.9174.4-67.3-61.4000111.6I26 T27 Y30 Y49 F385 F386 T393I26-F389 HydrophobicContact CG2-CD2 4.49Å; I26-F389 HydrophobicContact CG2-CE2 3.86Å; I26-F389 HydrophobicContact CG2-CZ 4.1Å; T27-F389 HydrophobicContact CG2-CE1 4.42Å; T27-F389 WeakPolarHBondContact OG1-CZ 3.4Å; Y30-F389 AromaticContact CD1-CD1 3.72Å; Y30-F389 HydrophobicContact CD1-CD1 3.72Å; Y30-F389 HydrophobicContact CD1-CE1 4.07Å; Y30-F389 HydrophobicContact CD2-CD1 4.07Å; Y30-F389 HydrophobicContact CE1-CD1 4.14Å; Y30-F389 HydrophobicContact CE2-CB 4.48Å; Y30-F389 HydrophobicContact CE2-CD1 4.47Å; Y30-F389 AromaticContact CG-CD1 3.68Å; Y30-F389 HydrophobicContact CG-CD1 3.68Å; Y30-F389 HydrophobicContact CG-CE1 4.1Å; Y30-F389 PolarHBondContact OH-O 3.43Å; Y49-F389 HydrophobicContact CE2-CB 4.34Å; Y49-F389 HydrophobicContact CE2-CD2 4.23Å; Y49-F389 HydrophobicContact CE2-CG 4.25Å; Y49-F389 WeakPolarHBondContact OH-CB 3.39Å; F385-F389 HydrophobicContact CB-CD2 4.33Å; F385-F389 HydrophobicContact CB-CE2 3.83Å; F385-F389 WeakPolarHBondContact O-CD2 3.19Å; F385-F389 PolarHBondContact O-N 3.4Å; F386-F389 PolarHBondContact O-N 3.32Å; F389-T393 WeakPolarHBondContact O-CB 3.33Å; F389-T393 PolarHBondContact O-N 2.75Å; F389-T393 PolarHBondContact O-OG1 3.32Å
390L89.9Confident90.8Very high20 Ų2044.4 Ų44.411%0.10521%0.211CC..Hα-helixtrans-67.4-44179.3-170.459.6000112F386 P387 F388 T393 V394 F409 Y443 M444 L448F386-L390 HydrophobicContact CE1-CD2 3.84Å; F386-L390 HydrophobicContact CZ-CD2 3.96Å; F386-L390 WeakPolarHBondContact O-CB 2.98Å; F386-L390 PolarHBondContact O-N 3.49Å; P387-L390 PolarHBondContact O-N 3.01Å; F388-L390 PolarHBondContact O-N 2.91Å; L390-T393 PolarHBondContact O-N 3.19Å; L390-V394 VanDerWaalsContact O-CG2 3.3Å; L390-V394 WeakPolarHBondContact O-CG2 3.5Å; L390-V394 PolarHBondContact O-N 3.48Å; L390-F409 HydrophobicContact CD1-CE2 4.16Å; L390-F409 HydrophobicContact CD1-CZ 4.14Å; L390-Y443 HydrophobicContact CD2-CD1 4.48Å; L390-Y443 HydrophobicContact CD2-CE1 3.85Å; L390-M444 HydrophobicContact CD1-CE 4.23Å; L390-M444 HydrophobicContact CD1-SD 4.35Å; L390-M444 HydrophobicContact CD2-CE 4.07Å; L390-M444 HydrophobicContact CD2-SD 3.49Å; L390-M444 WeakPolarHBondContact CD2-SD 3.28Å; L390-M444 HydrophobicContact CG-CE 3.99Å; L390-M444 HydrophobicContact CG-SD 4.07Å; L390-L448 HydrophobicContact CD2-CD1 4.26Å; L390-L448 HydrophobicContact CD2-CD2 4.13Å; L390-L448 HydrophobicContact CG-CD2 4.14Å
391I92.1Very high90.2Very high23 Ų2345.1 Ų45.112%0.11822%0.219CC..Hα-helixtrans-61.4-48.5175.2-72.3165.9000111P387 F388 T393 V394 I395 L448 M452 W484P387-I391 VanDerWaalsContact O-CG1 3.26Å; P387-I391 WeakPolarHBondContact O-CG1 3.37Å; P387-I391 PolarHBondContact O-N 2.9Å; F388-I391 PolarHBondContact O-N 3.14Å; I391-T393 VanDerWaalsContact C-N 3.27Å; I391-T393 PolarHBondContact O-N 3.11Å; I391-V394 PolarHBondContact O-N 2.81Å; I391-I395 HydrophobicContact CG2-CD1 3.68Å; I391-I395 HydrophobicContact CG2-CG1 4.36Å; I391-I395 WeakPolarHBondContact O-CG1 3.49Å; I391-I395 PolarHBondContact O-N 2.95Å; I391-L448 HydrophobicContact CD1-CD1 4Å; I391-L448 HydrophobicContact CD1-CG 3.94Å; I391-L448 HydrophobicContact CG1-CD1 3.82Å; I391-L448 HydrophobicContact CG1-CD2 3.66Å; I391-L448 HydrophobicContact CG1-CG 3.57Å; I391-M452 HydrophobicContact CD1-CG 3.25Å; I391-M452 HydrophobicContact CD1-SD 3.48Å; I391-M452 WeakPolarHBondContact CD1-SD 3.4Å; I391-W484 HydrophobicContact CG1-CH2 4.32Å; I391-W484 HydrophobicContact CG1-CZ3 4.45Å; I391-W484 HydrophobicContact CG2-CH2 4.48Å; I391-W484 HydrophobicContact CG2-CZ3 4.17Å
392A91Very high89.8Confident43 Ų4349 Ų4936%0.35524%0.235SC..Hα-helixtrans-57.2-43.717800000111.1F388 I395 Q396F388-A392 WeakPolarHBondContact O-CB 2.9Å; F388-A392 PolarHBondContact O-N 3.43Å; A392-I395 PolarHBondContact O-N 3.19Å; A392-Q396 VanDerWaalsContact O-CB 3.22Å; A392-Q396 WeakPolarHBondContact O-CB 3.1Å; A392-Q396 PolarHBondContact O-N 2.87Å
393T88.7Confident89.5Confident33 Ų3350.7 Ų50.720%0.20224%0.243CC..Hα-helixtrans-61.6-48.6176.8-56.80000111.6Y30 F389 L390 I391 I395 Q396 L397Y30-T393 WeakPolarHBondContact CE2-OG1 3.47Å; Y30-T393 WeakPolarHBondContact OH-CA 3.43Å; Y30-T393 PolarHBondContact OH-N 2.91Å; Y30-T393 VanDerWaalsContact OH-N 3.16Å; Y30-T393 PolarHBondContact OH-OG1 3Å; F389-T393 WeakPolarHBondContact O-CB 3.33Å; F389-T393 PolarHBondContact O-N 2.75Å; F389-T393 PolarHBondContact O-OG1 3.32Å; L390-T393 PolarHBondContact O-N 3.19Å; I391-T393 VanDerWaalsContact C-N 3.27Å; I391-T393 PolarHBondContact O-N 3.11Å; T393-I395 PolarHBondContact O-N 3.26Å; T393-Q396 PolarHBondContact O-N 3.15Å; T393-L397 HydrophobicContact CG2-CD1 3.77Å; T393-L397 HydrophobicContact CG2-CG 4.3Å; T393-L397 WeakPolarHBondContact O-CB 3.34Å; T393-L397 WeakPolarHBondContact O-CG 3.5Å; T393-L397 PolarHBondContact O-N 2.69Å
394V90.1Very high89.2Confident2 Ų250.3 Ų50.31%0.01224%0.237CC..Hα-helixtrans-60.1-49.8179172.40000110.5L390 I391 Q396 L397 F398 F409 M444 W484 L488L390-V394 VanDerWaalsContact O-CG2 3.3Å; L390-V394 WeakPolarHBondContact O-CG2 3.5Å; L390-V394 PolarHBondContact O-N 3.48Å; I391-V394 PolarHBondContact O-N 2.81Å; V394-Q396 VanDerWaalsContact C-N 3.34Å; V394-Q396 PolarHBondContact O-N 3.04Å; V394-L397 PolarHBondContact O-N 3.17Å; V394-F398 HydrophobicContact CG1-CD2 3.92Å; V394-F398 HydrophobicContact CG1-CE2 3.91Å; V394-F398 WeakPolarHBondContact O-CB 3.31Å; V394-F398 WeakPolarHBondContact O-CD2 3.45Å; V394-F398 PolarHBondContact O-N 2.89Å; V394-F409 HydrophobicContact CG2-CE1 3.73Å; V394-F409 HydrophobicContact CG2-CE2 4.17Å; V394-F409 HydrophobicContact CG2-CZ 3.43Å; V394-F409 VanDerWaalsContact CG2-CZ 3.43Å; V394-M444 HydrophobicContact CG2-CE 3.64Å; V394-W484 HydrophobicContact CB-CH2 3.97Å; V394-W484 HydrophobicContact CB-CZ2 4.32Å; V394-W484 HydrophobicContact CG1-CH2 3.69Å; V394-W484 HydrophobicContact CG1-CZ2 3.78Å; V394-L488 HydrophobicContact CG1-CD2 3.41Å; V394-L488 VanDerWaalsContact CG1-CD2 3.41Å
395I91.5Very high88.9Confident64 Ų6452.2 Ų52.233%0.32825%0.246SC..Hα-helixtrans-61.4-44.1179.7-66173.1000110.6I391 A392 T393 L397 F398 Y399 W484I391-I395 HydrophobicContact CG2-CD1 3.68Å; I391-I395 HydrophobicContact CG2-CG1 4.36Å; I391-I395 WeakPolarHBondContact O-CG1 3.49Å; I391-I395 PolarHBondContact O-N 2.95Å; A392-I395 PolarHBondContact O-N 3.19Å; T393-I395 PolarHBondContact O-N 3.26Å; I395-L397 PolarHBondContact O-N 3.24Å; I395-F398 PolarHBondContact O-N 2.8Å; I395-Y399 HydrophobicContact CG2-CD2 4.09Å; I395-Y399 WeakPolarHBondContact O-CD2 3.08Å; I395-Y399 PolarHBondContact O-N 3.18Å; I395-W484 HydrophobicContact CG1-CZ3 4.45Å
396Q88.9Confident88.6Confident102 Ų10250 Ų5048%0.47724%0.237SC..Hα-helixtrans-60.5-44.9177.9-179.4175.1-4.200111.9A392 T393 V394 F398 R400 G401A392-Q396 VanDerWaalsContact O-CB 3.22Å; A392-Q396 WeakPolarHBondContact O-CB 3.1Å; A392-Q396 PolarHBondContact O-N 2.87Å; T393-Q396 PolarHBondContact O-N 3.15Å; V394-Q396 VanDerWaalsContact C-N 3.34Å; V394-Q396 PolarHBondContact O-N 3.04Å; Q396-F398 VanDerWaalsContact C-N 3.33Å; Q396-F398 PolarHBondContact O-N 3.24Å; Q396-R400 HydrophobicContact CG-CB 4.49Å; Q396-R400 WeakPolarHBondContact O-CA 3.27Å; Q396-R400 WeakPolarHBondContact O-CB 3.17Å; Q396-R400 PolarHBondContact O-N 3.01Å; Q396-G401 PolarHBondContact O-N 2.95Å
397L87.3Confident88.5Confident38 Ų3848.1 Ų48.120%0.19923%0.229CC..Hα-helixtrans-65.4-37.8179-69.2169.4000112T393 V394 I395 G401 N405 F409T393-L397 HydrophobicContact CG2-CD1 3.77Å; T393-L397 HydrophobicContact CG2-CG 4.3Å; T393-L397 WeakPolarHBondContact O-CB 3.34Å; T393-L397 WeakPolarHBondContact O-CG 3.5Å; T393-L397 PolarHBondContact O-N 2.69Å; V394-L397 PolarHBondContact O-N 3.17Å; I395-L397 PolarHBondContact O-N 3.24Å; L397-G401 VanDerWaalsContact O-CA 3.22Å; L397-G401 WeakPolarHBondContact O-CA 3.38Å; L397-G401 PolarHBondContact O-N 3.34Å; L397-N405 HydrophobicContact CD2-CB 3.89Å; L397-F409 HydrophobicContact CD1-CB 3.68Å; L397-F409 HydrophobicContact CD1-CD2 3.58Å; L397-F409 HydrophobicContact CD1-CE2 4.42Å; L397-F409 HydrophobicContact CD1-CG 3.71Å
398F89Confident88.2Confident18 Ų1849.7 Ų49.78%0.07924%0.237CC..Hα-helixtrans-77.5-24.4-177.5-84.4-118.1000114V394 I395 Q396 I406 L488 G491 V492 T495V394-F398 HydrophobicContact CG1-CD2 3.92Å; V394-F398 HydrophobicContact CG1-CE2 3.91Å; V394-F398 WeakPolarHBondContact O-CB 3.31Å; V394-F398 WeakPolarHBondContact O-CD2 3.45Å; V394-F398 PolarHBondContact O-N 2.89Å; I395-F398 PolarHBondContact O-N 2.8Å; Q396-F398 VanDerWaalsContact C-N 3.33Å; Q396-F398 PolarHBondContact O-N 3.24Å; F398-I406 HydrophobicContact CD1-CD1 4.23Å; F398-I406 HydrophobicContact CD2-CD1 4.33Å; F398-I406 HydrophobicContact CD2-CG1 4.03Å; F398-I406 HydrophobicContact CD2-CG2 4.37Å; F398-I406 HydrophobicContact CE1-CG2 4.22Å; F398-I406 HydrophobicContact CE2-CB 4.46Å; F398-I406 HydrophobicContact CE2-CG1 4.21Å; F398-I406 HydrophobicContact CE2-CG2 3.71Å; F398-I406 HydrophobicContact CG-CD1 4.15Å; F398-I406 HydrophobicContact CG-CG1 4.34Å; F398-I406 HydrophobicContact CZ-CG2 3.62Å; F398-L488 HydrophobicContact CD1-CB 4.01Å; F398-L488 HydrophobicContact CD1-CD2 3.82Å; F398-L488 HydrophobicContact CD1-CG 4.46Å; F398-L488 WeakPolarHBondContact CD1-O 3.32Å; F398-L488 HydrophobicContact CD2-CD2 4.36Å; F398-L488 HydrophobicContact CE1-CB 3.8Å; F398-L488 HydrophobicContact CE1-CD1 4.44Å; F398-L488 HydrophobicContact CE1-CD2 3.91Å; F398-L488 HydrophobicContact CE1-CG 4.25Å; F398-L488 HydrophobicContact CE2-CD2 4.43Å; F398-L488 HydrophobicContact CG-CD2 4.05Å; F398-L488 HydrophobicContact CZ-CD2 4.21Å; F398-G491 CarbonylContact O-C 3.15Å; F398-G491 WeakPolarHBondContact O-CA 3.39Å; F398-V492 HydrophobicContact CD1-CG2 3.67Å; F398-V492 HydrophobicContact CE1-CG2 3.53Å; F398-T495 PolarHBondContact O-OG1 3.45Å
399Y88.9Confident87.9Confident84 Ų8447 Ų4733%0.32923%0.226SC..Hα-helixtrans-112.5-26.9-177.9-77.8-92.6000114.6I395 I487 F494I395-Y399 HydrophobicContact CG2-CD2 4.09Å; I395-Y399 WeakPolarHBondContact O-CD2 3.08Å; I395-Y399 PolarHBondContact O-N 3.18Å; Y399-I487 HydrophobicContact CE2-CG2 4.02Å; Y399-I487 PolarHBondContact OH-O 3.02Å; Y399-F494 HydrophobicContact CD1-CD1 4.33Å; Y399-F494 WeakPolarHBondContact O-CE1 3.28Å
400R84.9Confident87.8Confident204 Ų20448.7 Ų48.777%0.7724%0.235SC*.Hα-helixtrans-111.6-17179.7-59.6-174.1178-178-1.1112.8Q396Q396-R400 HydrophobicContact CG-CB 4.49Å; Q396-R400 WeakPolarHBondContact O-CA 3.27Å; Q396-R400 WeakPolarHBondContact O-CB 3.17Å; Q396-R400 PolarHBondContact O-N 3.01Å
401G82.3Confident87.8Confident16 Ų1649.4 Ų49.417%0.16524%0.239CC..SBendtrans-80.4-173.9-179.300000114.1Q396 L397 N405Q396-G401 PolarHBondContact O-N 2.95Å; L397-G401 VanDerWaalsContact O-CA 3.22Å; L397-G401 WeakPolarHBondContact O-CA 3.38Å; L397-G401 PolarHBondContact O-N 3.34Å; G401-N405 WeakPolarHBondContact CA-ND2 3.35Å
402K85.8Confident87.6Confident96 Ų9651 Ų5142%0.41725%0.25SC..  trans-102.5164.1171.3-67.7-178.4-175.2161.80109.9W404 N405 I406 E499K402-W404 PolarHBondContact O-N 3.45Å; K402-N405 PolarHBondContact N-ND2 3.49Å; K402-N405 VanDerWaalsContact N-ND2 3.17Å; K402-N405 WeakPolarHBondContact O-CB 3.43Å; K402-N405 PolarHBondContact O-N 2.87Å; K402-I406 PolarHBondContact O-N 2.98Å; K402-E499 WeakPolarHBondContact CA-OE1 3.47Å; K402-E499 WeakPolarHBondContact CB-OE1 3.34Å; K402-E499 WeakPolarHBondContact CG-OE1 3.42Å
403I86.4Confident87.4Confident49 Ų4950.4 Ų50.425%0.25124%0.242SC..Hα-helixtrans-56-38.9174.1-64.6173.8000110.7N405 I406 L407 T495 I496 E499 F504 L512I403-N405 VanDerWaalsContact C-N 3.28Å; I403-N405 PolarHBondContact O-N 3.45Å; I403-I406 PolarHBondContact O-N 3.29Å; I403-L407 PolarHBondContact O-N 3.03Å; I403-L407 VanDerWaalsContact O-N 3.11Å; I403-T495 HydrophobicContact CG1-CG2 4.01Å; I403-I496 HydrophobicContact CD1-CB 4.49Å; I403-I496 HydrophobicContact CD1-CG1 3.69Å; I403-I496 HydrophobicContact CG1-CG1 4.22Å; I403-E499 VanDerWaalsContact CD1-OE2 3.32Å; I403-E499 WeakPolarHBondContact CD1-OE2 3.33Å; I403-E499 VanDerWaalsContact CG1-OE2 3.25Å; I403-E499 WeakPolarHBondContact CG1-OE2 3.43Å; I403-E499 PolarHBondContact N-OE1 3.26Å; I403-F504 HydrophobicContact CD1-CZ 4.28Å; I403-L512 HydrophobicContact CB-CD2 4.4Å; I403-L512 HydrophobicContact CG2-CD2 3.84Å
404W85.6Confident87.5Confident37 Ų3749.2 Ų49.214%0.1423%0.234CC..Hα-helixtrans-57.2-39.8174.3171-109.1000113Y43 K402 I406 L407 L408 V511 L512Y43-W404 AromaticContact CD1-CD1 3.52Å; Y43-W404 HydrophobicContact CD1-CG 4.17Å; Y43-W404 AromaticContact CD1-NE1 3.51Å; Y43-W404 PolarHBondContact O-NE1 2.8Å; K402-W404 PolarHBondContact O-N 3.45Å; W404-I406 VanDerWaalsContact C-N 3.28Å; W404-I406 PolarHBondContact O-N 2.76Å; W404-L407 HydrophobicContact CE3-CB 4.43Å; W404-L407 HydrophobicContact CE3-CD2 4.05Å; W404-L407 HydrophobicContact CE3-CG 4.45Å; W404-L407 HydrophobicContact CZ3-CD2 3.99Å; W404-L407 HydrophobicContact CZ3-CG 4.33Å; W404-L407 PolarHBondContact O-N 3.09Å; W404-L408 HydrophobicContact CD2-CB 4.47Å; W404-L408 HydrophobicContact CH2-CD1 4.49Å; W404-L408 HydrophobicContact CZ2-CB 4.21Å; W404-L408 HydrophobicContact CZ2-CD1 3.91Å; W404-L408 HydrophobicContact CZ2-CG 4.5Å; W404-L408 VanDerWaalsContact O-CB 3.23Å; W404-L408 WeakPolarHBondContact O-CB 3.22Å; W404-L408 PolarHBondContact O-N 3.2Å; W404-V511 HydrophobicContact CD2-CG1 3.88Å; W404-V511 HydrophobicContact CE3-CG1 3.55Å; W404-V511 HydrophobicContact CH2-CG1 3.57Å; W404-V511 HydrophobicContact CZ2-CG1 3.9Å; W404-V511 HydrophobicContact CZ3-CG1 3.4Å; W404-V511 VanDerWaalsContact CZ3-CG1 3.4Å; W404-L512 HydrophobicContact CB-CD2 4.14Å; W404-L512 HydrophobicContact CE3-CD2 4.27Å
405N84.8Confident87.4Confident42 Ų4253.7 Ų53.723%0.22526%0.257CS..Hα-helixtrans-67.1-34.6-177.5-61.4-9.9000111.3L397 G401 K402 I403 F409L397-N405 HydrophobicContact CD2-CB 3.89Å; G401-N405 WeakPolarHBondContact CA-ND2 3.35Å; K402-N405 PolarHBondContact N-ND2 3.49Å; K402-N405 VanDerWaalsContact N-ND2 3.17Å; K402-N405 WeakPolarHBondContact O-CB 3.43Å; K402-N405 PolarHBondContact O-N 2.87Å; I403-N405 VanDerWaalsContact C-N 3.28Å; I403-N405 PolarHBondContact O-N 3.45Å; N405-F409 VanDerWaalsContact O-CB 3.3Å; N405-F409 WeakPolarHBondContact O-CB 3.24Å; N405-F409 PolarHBondContact O-N 2.93Å
406I87Confident87.2Confident18 Ų1853.5 Ų53.59%0.09226%0.259CS..Hα-helixtrans-65.6-48.9174-60.1174.4000109.7F398 K402 I403 W404 F409 L410 V492F398-I406 HydrophobicContact CD1-CD1 4.23Å; F398-I406 HydrophobicContact CD2-CD1 4.33Å; F398-I406 HydrophobicContact CD2-CG1 4.03Å; F398-I406 HydrophobicContact CD2-CG2 4.37Å; F398-I406 HydrophobicContact CE1-CG2 4.22Å; F398-I406 HydrophobicContact CE2-CB 4.46Å; F398-I406 HydrophobicContact CE2-CG1 4.21Å; F398-I406 HydrophobicContact CE2-CG2 3.71Å; F398-I406 HydrophobicContact CG-CD1 4.15Å; F398-I406 HydrophobicContact CG-CG1 4.34Å; F398-I406 HydrophobicContact CZ-CG2 3.62Å; K402-I406 PolarHBondContact O-N 2.98Å; I403-I406 PolarHBondContact O-N 3.29Å; W404-I406 VanDerWaalsContact C-N 3.28Å; W404-I406 PolarHBondContact O-N 2.76Å; I406-F409 WeakPolarHBondContact O-CB 3.13Å; I406-F409 PolarHBondContact O-N 3.15Å; I406-L410 HydrophobicContact CG2-CD1 4.49Å; I406-L410 WeakPolarHBondContact O-CG 3.46Å; I406-L410 PolarHBondContact O-N 2.7Å; I406-V492 HydrophobicContact CD1-CG2 4.27Å
407L89Confident87.2Confident15 Ų1549 Ų498%0.07924%0.24CC..Hα-helixtrans-62.5-44.7178.4179.759000112.2I403 W404 F409 L410 L411 L512I403-L407 PolarHBondContact O-N 3.03Å; I403-L407 VanDerWaalsContact O-N 3.11Å; W404-L407 HydrophobicContact CE3-CB 4.43Å; W404-L407 HydrophobicContact CE3-CD2 4.05Å; W404-L407 HydrophobicContact CE3-CG 4.45Å; W404-L407 HydrophobicContact CZ3-CD2 3.99Å; W404-L407 HydrophobicContact CZ3-CG 4.33Å; W404-L407 PolarHBondContact O-N 3.09Å; L407-F409 VanDerWaalsContact C-N 3.29Å; L407-F409 PolarHBondContact O-N 3.1Å; L407-L410 PolarHBondContact O-N 2.93Å; L407-L411 HydrophobicContact CD1-CD1 4.41Å; L407-L411 HydrophobicContact CD1-CG 4.45Å; L407-L411 HydrophobicContact CG-CD1 4.14Å; L407-L411 WeakPolarHBondContact O-CG 3.31Å; L407-L411 PolarHBondContact O-N 2.83Å; L407-L512 HydrophobicContact CD2-CD2 4.05Å
408L85.9Confident87.5Confident34 Ų3449.6 Ų49.618%0.17824%0.243CC..Hα-helixtrans-59.1-41.8175.6178.167.5000111.4Y43 F44 W404 L411 T412Y43-L408 WeakPolarHBondContact O-CD2 3.41Å; F44-L408 HydrophobicContact CD2-CD1 4.33Å; W404-L408 HydrophobicContact CD2-CB 4.47Å; W404-L408 HydrophobicContact CH2-CD1 4.49Å; W404-L408 HydrophobicContact CZ2-CB 4.21Å; W404-L408 HydrophobicContact CZ2-CD1 3.91Å; W404-L408 HydrophobicContact CZ2-CG 4.5Å; W404-L408 VanDerWaalsContact O-CB 3.23Å; W404-L408 WeakPolarHBondContact O-CB 3.22Å; W404-L408 PolarHBondContact O-N 3.2Å; L408-L411 PolarHBondContact O-N 3.14Å; L408-T412 WeakPolarHBondContact O-CB 3.42Å; L408-T412 PolarHBondContact O-N 3.16Å; L408-T412 PolarHBondContact O-OG1 3.41Å
409F86.1Confident87.4Confident27 Ų2753.7 Ų53.712%0.11827%0.265CS..Hα-helixtrans-61.8-46.5175.9171.9-96.7000111.7L390 V394 L397 N405 I406 L407 L411 T412 V413 M444L390-F409 HydrophobicContact CD1-CE2 4.16Å; L390-F409 HydrophobicContact CD1-CZ 4.14Å; V394-F409 HydrophobicContact CG2-CE1 3.73Å; V394-F409 HydrophobicContact CG2-CE2 4.17Å; V394-F409 HydrophobicContact CG2-CZ 3.43Å; V394-F409 VanDerWaalsContact CG2-CZ 3.43Å; L397-F409 HydrophobicContact CD1-CB 3.68Å; L397-F409 HydrophobicContact CD1-CD2 3.58Å; L397-F409 HydrophobicContact CD1-CE2 4.42Å; L397-F409 HydrophobicContact CD1-CG 3.71Å; N405-F409 VanDerWaalsContact O-CB 3.3Å; N405-F409 WeakPolarHBondContact O-CB 3.24Å; N405-F409 PolarHBondContact O-N 2.93Å; I406-F409 WeakPolarHBondContact O-CB 3.13Å; I406-F409 PolarHBondContact O-N 3.15Å; L407-F409 VanDerWaalsContact C-N 3.29Å; L407-F409 PolarHBondContact O-N 3.1Å; F409-L411 PolarHBondContact O-N 2.78Å; F409-T412 WeakPolarHBondContact O-CB 3.46Å; F409-T412 PolarHBondContact O-N 3.24Å; F409-T412 VanDerWaalsContact O-N 3.16Å; F409-V413 HydrophobicContact CD1-CG2 4.38Å; F409-V413 HydrophobicContact CD2-CG2 4.47Å; F409-V413 HydrophobicContact CE1-CG2 3.89Å; F409-V413 HydrophobicContact CE2-CG2 4Å; F409-V413 HydrophobicContact CZ-CG2 3.67Å; F409-V413 WeakPolarHBondContact O-CG2 3.48Å; F409-V413 PolarHBondContact O-N 3.44Å; F409-M444 HydrophobicContact CE1-CE 3.98Å; F409-M444 HydrophobicContact CZ-CE 3.65Å
410L89.4Confident87.4Confident57 Ų5753.8 Ų53.830%0.29827%0.267SS..Hα-helixtrans-60.5-44.8176.9-68.2176000111.9I406 L407 T412 V413 Q414 Y519I406-L410 HydrophobicContact CG2-CD1 4.49Å; I406-L410 WeakPolarHBondContact O-CG 3.46Å; I406-L410 PolarHBondContact O-N 2.7Å; L407-L410 PolarHBondContact O-N 2.93Å; L410-T412 VanDerWaalsContact C-N 3.32Å; L410-T412 PolarHBondContact O-N 3.29Å; L410-V413 PolarHBondContact O-N 3.23Å; L410-Q414 WeakPolarHBondContact O-CG 3.29Å; L410-Q414 PolarHBondContact O-N 3.04Å; L410-Y519 HydrophobicContact CB-CD2 4.04Å; L410-Y519 HydrophobicContact CB-CE2 3.56Å; L410-Y519 HydrophobicContact CD1-CE2 4.34Å; L410-Y519 HydrophobicContact CG-CE2 4.41Å
411L89.7Confident87.7Confident35 Ų3544.1 Ų44.118%0.18323%0.23CC..Hα-helixtrans-61.7-38.9174-72.2169.1000112L407 L408 F409 Q414 L415 L518 Y519L407-L411 HydrophobicContact CD1-CD1 4.41Å; L407-L411 HydrophobicContact CD1-CG 4.45Å; L407-L411 HydrophobicContact CG-CD1 4.14Å; L407-L411 WeakPolarHBondContact O-CG 3.31Å; L407-L411 PolarHBondContact O-N 2.83Å; L408-L411 PolarHBondContact O-N 3.14Å; F409-L411 PolarHBondContact O-N 2.78Å; L411-Q414 PolarHBondContact O-N 3.47Å; L411-L415 WeakPolarHBondContact O-CB 3.31Å; L411-L415 PolarHBondContact O-N 2.94Å; L411-L518 HydrophobicContact CD2-CB 4.31Å; L411-Y519 HydrophobicContact CD2-CD2 4.23Å
412T86.6Confident88.1Confident57 Ų5746.6 Ų46.635%0.3525%0.245SC..Hα-helixtrans-66.7-43.8177.8-59.40000111.3L408 F409 L410 Q414 L415 V416L408-T412 WeakPolarHBondContact O-CB 3.42Å; L408-T412 PolarHBondContact O-N 3.16Å; L408-T412 PolarHBondContact O-OG1 3.41Å; F409-T412 WeakPolarHBondContact O-CB 3.46Å; F409-T412 PolarHBondContact O-N 3.24Å; F409-T412 VanDerWaalsContact O-N 3.16Å; L410-T412 VanDerWaalsContact C-N 3.32Å; L410-T412 PolarHBondContact O-N 3.29Å; T412-Q414 VanDerWaalsContact C-N 3.3Å; T412-Q414 PolarHBondContact O-N 3.48Å; T412-L415 PolarHBondContact O-N 3.28Å; T412-V416 HydrophobicContact CG2-CG2 4.42Å; T412-V416 WeakPolarHBondContact O-CB 3.22Å; T412-V416 WeakPolarHBondContact O-CG2 3.25Å; T412-V416 PolarHBondContact O-N 3.26Å
413V87.4Confident88.1Confident30 Ų3045.6 Ų45.618%0.18224%0.241CC..Hα-helixtrans-59.8-43.3175.3170.60000110.5F409 L410 G417 M444F409-V413 HydrophobicContact CD1-CG2 4.38Å; F409-V413 HydrophobicContact CD2-CG2 4.47Å; F409-V413 HydrophobicContact CE1-CG2 3.89Å; F409-V413 HydrophobicContact CE2-CG2 4Å; F409-V413 HydrophobicContact CZ-CG2 3.67Å; F409-V413 WeakPolarHBondContact O-CG2 3.48Å; F409-V413 PolarHBondContact O-N 3.44Å; L410-V413 PolarHBondContact O-N 3.23Å; V413-G417 PolarHBondContact O-N 2.98Å; V413-M444 HydrophobicContact CG1-CG 4.19Å
414Q90.1Very high88.3Confident9 Ų943.2 Ų43.24%0.04223%0.229CC..Hα-helixtrans-62.8-47.5175-74.2178.5-21.500112.3L410 L411 T412 V416 G417 L418 Y519 Y522L410-Q414 WeakPolarHBondContact O-CG 3.29Å; L410-Q414 PolarHBondContact O-N 3.04Å; L411-Q414 PolarHBondContact O-N 3.47Å; T412-Q414 VanDerWaalsContact C-N 3.3Å; T412-Q414 PolarHBondContact O-N 3.48Å; Q414-V416 PolarHBondContact O-N 3.14Å; Q414-G417 CarbonylContact O-C 3.43Å; Q414-G417 WeakPolarHBondContact O-CA 3.23Å; Q414-G417 PolarHBondContact O-N 2.68Å; Q414-G417 VanDerWaalsContact O-N 3.14Å; Q414-L418 WeakPolarHBondContact O-CG 3.21Å; Q414-L418 PolarHBondContact O-N 2.88Å; Q414-Y519 HydrophobicContact CG-CD2 4.44Å; Q414-Y519 HydrophobicContact CG-CE2 4.11Å; Q414-Y522 HydrophobicContact CB-CE1 4.48Å; Q414-Y522 HydrophobicContact CB-CE2 4.41Å; Q414-Y522 VanDerWaalsContact CD-CD1 3.45Å; Q414-Y522 HydrophobicContact CG-CD1 4.09Å; Q414-Y522 HydrophobicContact CG-CE1 3.78Å; Q414-Y522 VanDerWaalsContact NE2-CE1 3.33Å
415L89.1Confident88.5Confident95 Ų9542.1 Ų42.150%0.49723%0.226SC..Hα-helixtrans-59.9-47.5179.4177.962.2000111.3L411 T412 G417 L418 I419L411-L415 WeakPolarHBondContact O-CB 3.31Å; L411-L415 PolarHBondContact O-N 2.94Å; T412-L415 PolarHBondContact O-N 3.28Å; L415-G417 VanDerWaalsContact C-N 3.29Å; L415-G417 PolarHBondContact O-N 2.85Å; L415-L418 PolarHBondContact O-N 3.38Å; L415-I419 HydrophobicContact CD1-CD1 4.21Å; L415-I419 HydrophobicContact CD1-CG1 4.42Å; L415-I419 HydrophobicContact CG-CD1 4.03Å; L415-I419 WeakPolarHBondContact O-CG1 3.22Å; L415-I419 PolarHBondContact O-N 3.16Å
416V87Confident88.7Confident61 Ų6148 Ų4837%0.3725%0.25SS..Hα-helixtrans-62.2-40.5175.5172.70000110.7T412 Q414 L418 I419 K420T412-V416 HydrophobicContact CG2-CG2 4.42Å; T412-V416 WeakPolarHBondContact O-CB 3.22Å; T412-V416 WeakPolarHBondContact O-CG2 3.25Å; T412-V416 PolarHBondContact O-N 3.26Å; Q414-V416 PolarHBondContact O-N 3.14Å; V416-L418 VanDerWaalsContact C-N 3.34Å; V416-L418 PolarHBondContact O-N 3.31Å; V416-I419 PolarHBondContact O-N 3.01Å; V416-K420 WeakPolarHBondContact O-CG 3.35Å; V416-K420 PolarHBondContact O-N 3.49Å
417G89.8Confident88.6Confident7 Ų749.5 Ų49.57%0.07226%0.259CS..Hα-helixtrans-58-44.1173.500000112.7V413 Q414 L415 S421V413-G417 PolarHBondContact O-N 2.98Å; Q414-G417 CarbonylContact O-C 3.43Å; Q414-G417 WeakPolarHBondContact O-CA 3.23Å; Q414-G417 PolarHBondContact O-N 2.68Å; Q414-G417 VanDerWaalsContact O-N 3.14Å; L415-G417 VanDerWaalsContact C-N 3.29Å; L415-G417 PolarHBondContact O-N 2.85Å; G417-S421 VanDerWaalsContact O-CB 3.24Å; G417-S421 WeakPolarHBondContact O-CB 3.31Å; G417-S421 PolarHBondContact O-N 2.67Å; G417-S421 PolarHBondContact O-OG 2.92Å
418L91.7Very high88.5Confident50 Ų5052.8 Ų52.826%0.26227%0.27SS..Hα-helixtrans-67.2-43176.7-78.2172.1000112.6Q414 L415 V416 K420 S421 S422 V434 Y522Q414-L418 WeakPolarHBondContact O-CG 3.21Å; Q414-L418 PolarHBondContact O-N 2.88Å; L415-L418 PolarHBondContact O-N 3.38Å; V416-L418 VanDerWaalsContact C-N 3.34Å; V416-L418 PolarHBondContact O-N 3.31Å; L418-K420 VanDerWaalsContact C-N 3.33Å; L418-K420 PolarHBondContact O-N 2.95Å; L418-S421 WeakPolarHBondContact CA-OG 3.46Å; L418-S421 PolarHBondContact O-N 3.4Å; L418-S421 PolarHBondContact O-OG 3.4Å; L418-S422 VanDerWaalsContact O-CB 3.3Å; L418-S422 WeakPolarHBondContact O-CB 3.07Å; L418-S422 PolarHBondContact O-N 2.94Å; L418-S422 PolarHBondContact O-OG 3.12Å; L418-S422 VanDerWaalsContact O-OG 3.05Å; L418-V434 HydrophobicContact CD2-CG2 4.47Å; L418-Y522 HydrophobicContact CD1-CD2 3.92Å; L418-Y522 HydrophobicContact CD1-CE2 3.73Å; L418-Y522 HydrophobicContact CD2-CE2 3.87Å; L418-Y522 HydrophobicContact CG-CD2 4.42Å; L418-Y522 HydrophobicContact CG-CE2 3.75Å
419I88.9Confident88.5Confident105 Ų10554.5 Ų54.554%0.53830%0.296SS..Hα-helixtrans-60-48176.7-69.2166.2000109.7L415 V416 S421 F423L415-I419 HydrophobicContact CD1-CD1 4.21Å; L415-I419 HydrophobicContact CD1-CG1 4.42Å; L415-I419 HydrophobicContact CG-CD1 4.03Å; L415-I419 WeakPolarHBondContact O-CG1 3.22Å; L415-I419 PolarHBondContact O-N 3.16Å; V416-I419 PolarHBondContact O-N 3.01Å; I419-S421 PolarHBondContact O-N 2.9Å; I419-F423 WeakPolarHBondContact O-CB 3.07Å; I419-F423 PolarHBondContact O-N 3.48Å
420K87.9Confident88.5Confident86 Ų8656.4 Ų56.437%0.37431%0.307SS..Hα-helixtrans-61-43.7176.1-73.5-174.5-178-164.80112L57 V416 L418 F423 A424L57-K420 HydrophobicContact CD1-CD 4.39Å; L57-K420 HydrophobicContact CD1-CG 4.25Å; L57-K420 HydrophobicContact CD2-CD 4.32Å; V416-K420 WeakPolarHBondContact O-CG 3.35Å; V416-K420 PolarHBondContact O-N 3.49Å; L418-K420 VanDerWaalsContact C-N 3.33Å; L418-K420 PolarHBondContact O-N 2.95Å; K420-F423 PolarHBondContact O-N 3.27Å; K420-A424 VanDerWaalsContact O-CB 3.3Å; K420-A424 WeakPolarHBondContact O-CB 3.42Å; K420-A424 PolarHBondContact O-N 2.81Å
421S91.3Very high88.5Confident0 Ų059.4 Ų59.40%032%0.322CS..Hα-helixtrans-71.3-36.2-176.474.60000112.6G417 L418 I419 A424 S425 M433 V434G417-S421 VanDerWaalsContact O-CB 3.24Å; G417-S421 WeakPolarHBondContact O-CB 3.31Å; G417-S421 PolarHBondContact O-N 2.67Å; G417-S421 PolarHBondContact O-OG 2.92Å; L418-S421 WeakPolarHBondContact CA-OG 3.46Å; L418-S421 PolarHBondContact O-N 3.4Å; L418-S421 PolarHBondContact O-OG 3.4Å; I419-S421 PolarHBondContact O-N 2.9Å; S421-A424 PolarHBondContact O-N 3.18Å; S421-S425 WeakPolarHBondContact O-CB 3.14Å; S421-S425 PolarHBondContact O-N 3.36Å; S421-S425 PolarHBondContact O-OG 3.31Å; S421-M433 VanDerWaalsContact CB-O 3.27Å; S421-M433 WeakPolarHBondContact CB-O 3.45Å; S421-V434 WeakPolarHBondContact CB-O 3.39Å; S421-V434 PolarHBondContact OG-O 3.36Å
422S90.8Very high88.5Confident68 Ų6859.3 Ų59.348%0.47632%0.323SS..Hα-helixtrans-65.4-45.8172.6-67.90000111.5L418 A424 S425 F426L418-S422 VanDerWaalsContact O-CB 3.3Å; L418-S422 WeakPolarHBondContact O-CB 3.07Å; L418-S422 PolarHBondContact O-N 2.94Å; L418-S422 PolarHBondContact O-OG 3.12Å; L418-S422 VanDerWaalsContact O-OG 3.05Å; S422-A424 VanDerWaalsContact C-N 3.33Å; S422-A424 PolarHBondContact O-N 3.49Å; S422-S425 WeakPolarHBondContact O-CB 3.26Å; S422-S425 PolarHBondContact O-N 2.86Å; S422-S425 VanDerWaalsContact O-N 3.15Å; S422-F426 PolarHBondContact O-N 3.45Å
423F86.8Confident88.8Confident75 Ų7556.6 Ų56.633%0.32931%0.307SS..Hα-helixtrans-60.4-44.3175179.7-101.6000111.9S61 I266 I419 K420 S425 F426 L427S61-F423 VanDerWaalsContact CB-CZ 3.43Å; S61-F423 WeakPolarHBondContact OG-CE1 3.46Å; I266-F423 HydrophobicContact CD1-CE1 4.49Å; I419-F423 WeakPolarHBondContact O-CB 3.07Å; I419-F423 PolarHBondContact O-N 3.48Å; K420-F423 PolarHBondContact O-N 3.27Å; F423-S425 VanDerWaalsContact C-N 3.31Å; F423-S425 PolarHBondContact O-N 2.97Å; F423-F426 WeakPolarHBondContact O-CB 3.47Å; F423-F426 PolarHBondContact O-N 3.45Å; F423-L427 HydrophobicContact CD1-CD1 4.02Å; F423-L427 HydrophobicContact CD1-CG 4.45Å; F423-L427 HydrophobicContact CE1-CD1 3.16Å; F423-L427 HydrophobicContact CE1-CG 3.82Å; F423-L427 HydrophobicContact CE2-CD1 4.39Å; F423-L427 HydrophobicContact CE2-CG 4.27Å; F423-L427 HydrophobicContact CZ-CD1 3.38Å; F423-L427 HydrophobicContact CZ-CD2 4.15Å; F423-L427 HydrophobicContact CZ-CG 3.7Å; F423-L427 PolarHBondContact O-N 3.26Å
424A88.8Confident89.1Confident0 Ų056.3 Ų56.30%031%0.305CS..Hα-helixtrans-62.8-37.1174.700000112.6W261 M262 K420 S421 S422 F426 L427 R428 M433W261-A424 HydrophobicContact CE3-CB 4.44Å; W261-A424 HydrophobicContact CZ3-CB 3.82Å; M262-A424 HydrophobicContact CE-CB 4.43Å; M262-A424 HydrophobicContact SD-CB 3.41Å; M262-A424 WeakPolarHBondContact SD-CB 3.33Å; K420-A424 VanDerWaalsContact O-CB 3.3Å; K420-A424 WeakPolarHBondContact O-CB 3.42Å; K420-A424 PolarHBondContact O-N 2.81Å; S421-A424 PolarHBondContact O-N 3.18Å; S422-A424 VanDerWaalsContact C-N 3.33Å; S422-A424 PolarHBondContact O-N 3.49Å; A424-F426 VanDerWaalsContact C-N 3.34Å; A424-L427 PolarHBondContact O-N 2.87Å; A424-R428 WeakPolarHBondContact O-CB 3.47Å; A424-R428 PolarHBondContact O-N 3.3Å; A424-M433 HydrophobicContact CB-CB 3.93Å; A424-M433 HydrophobicContact CB-CE 3.86Å; A424-M433 HydrophobicContact CB-CG 4.24Å
425S90.9Very high89.2Confident13 Ų1356 Ų569%0.09130%0.303CS..Hα-helixtrans-63.3-41.7175.7-58.60000111.5S421 S422 F423 G429 N430 M433 V434S421-S425 WeakPolarHBondContact O-CB 3.14Å; S421-S425 PolarHBondContact O-N 3.36Å; S421-S425 PolarHBondContact O-OG 3.31Å; S422-S425 WeakPolarHBondContact O-CB 3.26Å; S422-S425 PolarHBondContact O-N 2.86Å; S422-S425 VanDerWaalsContact O-N 3.15Å; F423-S425 VanDerWaalsContact C-N 3.31Å; F423-S425 PolarHBondContact O-N 2.97Å; S425-G429 WeakPolarHBondContact O-CA 3.12Å; S425-G429 PolarHBondContact O-N 2.9Å; S425-N430 WeakPolarHBondContact CA-O 3.2Å; S425-N430 PolarHBondContact O-N 3.38Å; S425-N430 VanDerWaalsContact O-N 3.08Å; S425-M433 WeakPolarHBondContact OG-CB 3.48Å; S425-V434 PolarHBondContact OG-N 3.1Å
426F88.3Confident89.4Confident165 Ų16552.5 Ų52.572%0.72428%0.284SS*.Hα-helixtrans-63.7-50.8175.7177.7-100.7000111.7S422 F423 A424 R428 G429S422-F426 PolarHBondContact O-N 3.45Å; F423-F426 WeakPolarHBondContact O-CB 3.47Å; F423-F426 PolarHBondContact O-N 3.45Å; A424-F426 VanDerWaalsContact C-N 3.34Å; F426-R428 PolarHBondContact O-N 3.46Å; F426-G429 PolarHBondContact O-N 2.93Å
427L84.3Confident89.7Confident51 Ų5149.6 Ų49.627%0.26727%0.267SS..Hα-helixtrans-63.4-39.1179.3-76.6-174.2000113.2F65 W261 I266 F423 A424 G429F65-L427 HydrophobicContact CD2-CD2 3.88Å; W261-L427 HydrophobicContact CH2-CB 4Å; I266-L427 HydrophobicContact CD1-CD1 3.4Å; I266-L427 VanDerWaalsContact CD1-CD1 3.4Å; F423-L427 HydrophobicContact CD1-CD1 4.02Å; F423-L427 HydrophobicContact CD1-CG 4.45Å; F423-L427 HydrophobicContact CE1-CD1 3.16Å; F423-L427 HydrophobicContact CE1-CG 3.82Å; F423-L427 HydrophobicContact CE2-CD1 4.39Å; F423-L427 HydrophobicContact CE2-CG 4.27Å; F423-L427 HydrophobicContact CZ-CD1 3.38Å; F423-L427 HydrophobicContact CZ-CD2 4.15Å; F423-L427 HydrophobicContact CZ-CG 3.7Å; F423-L427 PolarHBondContact O-N 3.26Å; A424-L427 PolarHBondContact O-N 2.87Å; L427-G429 VanDerWaalsContact C-N 3.32Å
428R86.9Confident89.9Confident84 Ų8449.4 Ų49.432%0.31726%0.264SS..Hα-helixtrans-75.2-22.5177.8-165.5175.3178.81780.6112.6W261 A424 F426 N430 M433W261-R428 HydrophobicContact CH2-CB 3.98Å; W261-R428 HydrophobicContact CZ2-CB 3.49Å; W261-R428 VanDerWaalsContact CZ2-CB 3.49Å; W261-R428 HydrophobicContact CZ2-CG 3.83Å; A424-R428 WeakPolarHBondContact O-CB 3.47Å; A424-R428 PolarHBondContact O-N 3.3Å; F426-R428 PolarHBondContact O-N 3.46Å; R428-N430 HydrophobicContact CB-CB 4.5Å; R428-N430 HydrophobicContact CG-CB 4.08Å; R428-N430 PolarHBondContact O-N 2.78Å; R428-M433 HydrophobicContact CB-CG 3.96Å; R428-M433 VanDerWaalsContact CD-SD 3.56Å; R428-M433 HydrophobicContact CG-CG 4.3Å; R428-M433 PolarHBondContact NH1-SD 2.96Å
429G86.4Confident89.9Confident70 Ų7047.7 Ų47.772%0.72225%0.254SS*.THydrogen-bonded Turntrans66.824.9-167.600000113.1S425 F426 L427S425-G429 WeakPolarHBondContact O-CA 3.12Å; S425-G429 PolarHBondContact O-N 2.9Å; F426-G429 PolarHBondContact O-N 2.93Å; L427-G429 VanDerWaalsContact C-N 3.32Å
430N86.8Confident89.9Confident67 Ų6743.7 Ų43.736%0.35824%0.235SC..  trans-144.8122.4-175.5-169.9-29.3000112.1S425 R428 V432 M433S425-N430 WeakPolarHBondContact CA-O 3.2Å; S425-N430 PolarHBondContact O-N 3.38Å; S425-N430 VanDerWaalsContact O-N 3.08Å; R428-N430 HydrophobicContact CB-CB 4.5Å; R428-N430 HydrophobicContact CG-CB 4.08Å; R428-N430 PolarHBondContact O-N 2.78Å; N430-V432 PolarHBondContact O-N 3.34Å; N430-V432 VanDerWaalsContact O-N 3.14Å; N430-V432 VanDerWaalsContact OD1-CB 3.3Å; N430-V432 WeakPolarHBondContact OD1-CB 3.39Å; N430-V432 WeakPolarHBondContact OD1-CG2 3.26Å; N430-V432 PolarHBondContact OD1-N 3.13Å; N430-M433 PolarHBondContact O-N 3.02Å
431I88.9Confident89.9Confident119 Ų11941.8 Ų41.861%0.6123%0.231SC*.G310 helixtrans-63.3-17.9-178.4-162.461.7000113.9M433 V434I431-M433 PolarHBondContact O-N 3.44Å; I431-V434 VanDerWaalsContact O-CB 3.31Å; I431-V434 WeakPolarHBondContact O-CB 3.42Å; I431-V434 WeakPolarHBondContact O-CG1 3.24Å; I431-V434 PolarHBondContact O-N 2.96Å
432V90.3Very high89.9Confident34 Ų3442.6 Ų42.621%0.20624%0.235CC..G310 helixtrans-53.5-26.5175.6169.40000111.9F254 V258 N430 V434 F435F254-V432 HydrophobicContact CE2-CG1 4.13Å; F254-V432 HydrophobicContact CZ-CG1 3.98Å; V258-V432 HydrophobicContact CG1-CG1 4.19Å; N430-V432 PolarHBondContact O-N 3.34Å; N430-V432 VanDerWaalsContact O-N 3.14Å; N430-V432 VanDerWaalsContact OD1-CB 3.3Å; N430-V432 WeakPolarHBondContact OD1-CB 3.39Å; N430-V432 WeakPolarHBondContact OD1-CG2 3.26Å; N430-V432 PolarHBondContact OD1-N 3.13Å; V432-V434 PolarHBondContact O-N 3.3Å; V432-F435 VanDerWaalsContact O-CD2 3.28Å; V432-F435 WeakPolarHBondContact O-CD2 3.34Å; V432-F435 PolarHBondContact O-N 2.98Å
433M92.8Very high90Very high0 Ų041.5 Ų41.50%022%0.221CC..G310 helixtrans-65.8-17.3176.5-65.5-54.3-60.700113.9V258 W261 M262 S421 A424 S425 R428 N430 I431 F435 M436V258-M433 HydrophobicContact CB-CE 4.36Å; V258-M433 HydrophobicContact CB-SD 4.38Å; V258-M433 HydrophobicContact CG1-SD 4.25Å; W261-M433 HydrophobicContact CB-CE 4.13Å; W261-M433 HydrophobicContact CB-SD 4.16Å; W261-M433 HydrophobicContact CD2-CE 3.87Å; W261-M433 HydrophobicContact CD2-SD 3.98Å; W261-M433 HydrophobicContact CE3-CE 3.34Å; W261-M433 HydrophobicContact CE3-SD 4.03Å; W261-M433 HydrophobicContact CG-CE 4.21Å; W261-M433 HydrophobicContact CG-SD 4.04Å; W261-M433 HydrophobicContact CZ3-CE 4.07Å; M262-M433 HydrophobicContact CG-CE 3.94Å; M262-M433 HydrophobicContact SD-CE 4.08Å; S421-M433 VanDerWaalsContact CB-O 3.27Å; S421-M433 WeakPolarHBondContact CB-O 3.45Å; A424-M433 HydrophobicContact CB-CB 3.93Å; A424-M433 HydrophobicContact CB-CE 3.86Å; A424-M433 HydrophobicContact CB-CG 4.24Å; S425-M433 WeakPolarHBondContact OG-CB 3.48Å; R428-M433 HydrophobicContact CB-CG 3.96Å; R428-M433 VanDerWaalsContact CD-SD 3.56Å; R428-M433 HydrophobicContact CG-CG 4.3Å; R428-M433 PolarHBondContact NH1-SD 2.96Å; N430-M433 PolarHBondContact O-N 3.02Å; I431-M433 PolarHBondContact O-N 3.44Å; M433-F435 PolarHBondContact O-N 3.39Å; M433-F435 VanDerWaalsContact O-N 3.11Å; M433-M436 HydrophobicContact CE-CG 3.5Å; M433-M436 VanDerWaalsContact O-CB 3.24Å; M433-M436 WeakPolarHBondContact O-CB 3.3Å; M433-M436 PolarHBondContact O-N 3.38Å
434V92.8Very high90.2Very high24 Ų2439.2 Ų39.215%0.14521%0.212CC..G310 helixtrans-54.1-33.2176.276.60000112.1L418 S421 S425 I431 V432 M436 S437 L526L418-V434 HydrophobicContact CD2-CG2 4.47Å; S421-V434 WeakPolarHBondContact CB-O 3.39Å; S421-V434 PolarHBondContact OG-O 3.36Å; S425-V434 PolarHBondContact OG-N 3.1Å; I431-V434 VanDerWaalsContact O-CB 3.31Å; I431-V434 WeakPolarHBondContact O-CB 3.42Å; I431-V434 WeakPolarHBondContact O-CG1 3.24Å; I431-V434 PolarHBondContact O-N 2.96Å; V432-V434 PolarHBondContact O-N 3.3Å; V434-M436 PolarHBondContact O-N 2.94Å; V434-M436 VanDerWaalsContact O-N 3.17Å; V434-S437 WeakPolarHBondContact O-CB 3.18Å; V434-S437 PolarHBondContact O-N 2.85Å; V434-S437 VanDerWaalsContact O-N 3.15Å; V434-S437 PolarHBondContact O-OG 2.94Å; V434-L526 HydrophobicContact CG2-CD2 4.41Å
435F93.6Very high90.3Very high2 Ų240.2 Ų40.21%0.00922%0.219CC..G310 helixtrans-67.5-11.4178.3-62.6-66.4000113.6F254 V432 M433 S437 L438 L529 L533 I534F254-F435 HydrophobicContact CE1-CB 3.66Å; F254-F435 AromaticContact CE1-CD2 3.79Å; F254-F435 HydrophobicContact CE1-CD2 3.79Å; F254-F435 AromaticContact CE1-CG 3.76Å; F254-F435 HydrophobicContact CE1-CG 3.76Å; F254-F435 HydrophobicContact CZ-CB 4.18Å; F254-F435 AromaticContact CZ-CD2 3.61Å; F254-F435 HydrophobicContact CZ-CD2 3.61Å; F254-F435 HydrophobicContact CZ-CE2 4.27Å; F254-F435 HydrophobicContact CZ-CG 4.08Å; V432-F435 VanDerWaalsContact O-CD2 3.28Å; V432-F435 WeakPolarHBondContact O-CD2 3.34Å; V432-F435 PolarHBondContact O-N 2.98Å; M433-F435 PolarHBondContact O-N 3.39Å; M433-F435 VanDerWaalsContact O-N 3.11Å; F435-S437 PolarHBondContact O-N 3.25Å; F435-L438 HydrophobicContact CB-CD1 4.16Å; F435-L438 HydrophobicContact CD1-CD1 3.7Å; F435-L438 HydrophobicContact CG-CD1 4.42Å; F435-L438 VanDerWaalsContact O-CB 3.31Å; F435-L438 WeakPolarHBondContact O-CB 3.12Å; F435-L438 PolarHBondContact O-N 3.26Å; F435-L529 HydrophobicContact CE1-CB 3.98Å; F435-L529 HydrophobicContact CZ-CB 4.01Å; F435-L533 HydrophobicContact CZ-CD1 4.35Å; F435-I534 HydrophobicContact CD2-CG1 4.46Å; F435-I534 HydrophobicContact CE2-CD1 4.06Å; F435-I534 HydrophobicContact CE2-CG1 3.89Å; F435-I534 HydrophobicContact CZ-CG1 4.21Å
436M92.8Very high90.5Very high21 Ų2139.6 Ų39.610%0.10322%0.215CC..Hα-helixtrans-57.8-27.2168.8-83.9-53.8-73.200113.3V258 R259 M262 M433 V434 L438 Y439V258-M436 HydrophobicContact CB-CG 3.8Å; V258-M436 HydrophobicContact CB-SD 3.39Å; V258-M436 WeakPolarHBondContact CB-SD 3.49Å; V258-M436 HydrophobicContact CG2-CG 4.08Å; V258-M436 HydrophobicContact CG2-SD 3.3Å; V258-M436 WeakPolarHBondContact CG2-SD 3.37Å; R259-M436 HydrophobicContact CB-CE 4.11Å; R259-M436 HydrophobicContact CB-SD 4.36Å; R259-M436 PolarHBondContact N-SD 2.87Å; M262-M436 HydrophobicContact CB-CE 4.12Å; M262-M436 HydrophobicContact CG-CE 3.59Å; M262-M436 HydrophobicContact CG-CG 3.99Å; M262-M436 HydrophobicContact CG-SD 4.19Å; M433-M436 HydrophobicContact CE-CG 3.5Å; M433-M436 VanDerWaalsContact O-CB 3.24Å; M433-M436 WeakPolarHBondContact O-CB 3.3Å; M433-M436 PolarHBondContact O-N 3.38Å; V434-M436 PolarHBondContact O-N 2.94Å; V434-M436 VanDerWaalsContact O-N 3.17Å; M436-L438 PolarHBondContact O-N 3.11Å; M436-Y439 HydrophobicContact CE-CD1 4.44Å; M436-Y439 HydrophobicContact CE-CG 4.33Å; M436-Y439 VanDerWaalsContact O-CB 3.31Å; M436-Y439 WeakPolarHBondContact O-CB 3.37Å; M436-Y439 PolarHBondContact O-N 3.06Å
437S93.3Very high90.8Very high0 Ų032.1 Ų32.10%018%0.182CC..Hα-helixtrans-58.7-30.8175.460.70000112V434 F435 S440 Y522 L526V434-S437 WeakPolarHBondContact O-CB 3.18Å; V434-S437 PolarHBondContact O-N 2.85Å; V434-S437 VanDerWaalsContact O-N 3.15Å; V434-S437 PolarHBondContact O-OG 2.94Å; F435-S437 PolarHBondContact O-N 3.25Å; S437-S440 WeakPolarHBondContact O-CB 3.39Å; S437-S440 PolarHBondContact O-N 2.96Å; S437-S440 PolarHBondContact O-OG 3.01Å; S437-Y522 WeakPolarHBondContact CB-OH 3.42Å; S437-Y522 PolarHBondContact O-OH 3.32Å; S437-Y522 PolarHBondContact OG-OH 3.43Å; S437-Y522 VanDerWaalsContact OG-OH 3.11Å; S437-L526 VanDerWaalsContact OG-CD1 3.27Å; S437-L526 WeakPolarHBondContact OG-CD1 3.29Å
438L93.2Very high91.2Very high3 Ų329.7 Ų29.72%0.01617%0.169CC..Hα-helixtrans-74.7-26.1176.5-59.2163.1000113.1W251 L255 F435 M436 S440 V441 Y522 W523 L526W251-L438 HydrophobicContact CH2-CD1 3.36Å; W251-L438 HydrophobicContact CH2-CD2 4.36Å; W251-L438 HydrophobicContact CH2-CG 4.29Å; W251-L438 HydrophobicContact CZ2-CB 4.09Å; W251-L438 HydrophobicContact CZ2-CD1 3.75Å; W251-L438 HydrophobicContact CZ2-CD2 4.47Å; W251-L438 HydrophobicContact CZ2-CG 4.34Å; W251-L438 HydrophobicContact CZ3-CD1 4.35Å; L255-L438 HydrophobicContact CD1-CB 4.36Å; L255-L438 HydrophobicContact CD2-CB 4.02Å; L255-L438 HydrophobicContact CD2-CD1 4.44Å; F435-L438 HydrophobicContact CB-CD1 4.16Å; F435-L438 HydrophobicContact CD1-CD1 3.7Å; F435-L438 HydrophobicContact CG-CD1 4.42Å; F435-L438 VanDerWaalsContact O-CB 3.31Å; F435-L438 WeakPolarHBondContact O-CB 3.12Å; F435-L438 PolarHBondContact O-N 3.26Å; M436-L438 PolarHBondContact O-N 3.11Å; L438-S440 PolarHBondContact O-N 3.35Å; L438-V441 PolarHBondContact O-N 3.19Å; L438-V441 VanDerWaalsContact O-N 3.17Å; L438-Y522 HydrophobicContact CD2-CE1 4.47Å; L438-W523 HydrophobicContact CD2-CE3 3.87Å; L438-W523 HydrophobicContact CD2-CH2 4.25Å; L438-W523 HydrophobicContact CD2-CZ3 3.49Å; L438-W523 VanDerWaalsContact CD2-CZ3 3.49Å; L438-L526 HydrophobicContact CD1-CB 4.35Å; L438-L526 HydrophobicContact CD2-CB 3.89Å; L438-L526 HydrophobicContact CD2-CD1 3.73Å; L438-L526 HydrophobicContact CG-CB 4.39Å; L438-L526 HydrophobicContact CG-CD1 3.96Å
439Y92.4Very high91.6Very high15 Ų1526.1 Ų26.16%0.05916%0.157CC..Hα-helixtrans-64.6-25.6176.7-170-89.5000112L255 R259 W347 M436 V441 L442 Y443 L447L255-Y439 HydrophobicContact CB-CD2 4.23Å; R259-Y439 HydrophobicContact CB-CD2 3.81Å; R259-Y439 HydrophobicContact CB-CE1 4.31Å; R259-Y439 HydrophobicContact CB-CE2 3.57Å; R259-Y439 HydrophobicContact CB-CG 4.27Å; R259-Y439 HydrophobicContact CG-CD1 4.48Å; R259-Y439 HydrophobicContact CG-CD2 4.37Å; R259-Y439 HydrophobicContact CG-CE1 3.88Å; R259-Y439 HydrophobicContact CG-CE2 3.76Å; R259-Y439 VanDerWaalsContact CG-CZ 3.47Å; R259-Y439 WeakPolarHBondContact CG-OH 3.24Å; W347-Y439 HydrophobicContact CZ2-CE2 4.45Å; M436-Y439 HydrophobicContact CE-CD1 4.44Å; M436-Y439 HydrophobicContact CE-CG 4.33Å; M436-Y439 VanDerWaalsContact O-CB 3.31Å; M436-Y439 WeakPolarHBondContact O-CB 3.37Å; M436-Y439 PolarHBondContact O-N 3.06Å; Y439-V441 PolarHBondContact O-N 2.73Å; Y439-V441 VanDerWaalsContact O-N 3.13Å; Y439-L442 HydrophobicContact CD2-CD1 4.25Å; Y439-L442 HydrophobicContact CE2-CD1 4.44Å; Y439-L442 PolarHBondContact O-N 3.44Å; Y439-Y443 PolarHBondContact O-N 3.38Å; Y439-L447 HydrophobicContact CE1-CD1 3.99Å; Y439-L447 WeakPolarHBondContact OH-CD1 3.47Å
440S89.5Confident92Very high20 Ų2022.8 Ų22.814%0.1412%0.123CC..Hα-helixtrans-54.2-33.1174.9680000112S437 L438 Y443 M444S437-S440 WeakPolarHBondContact O-CB 3.39Å; S437-S440 PolarHBondContact O-N 2.96Å; S437-S440 PolarHBondContact O-OG 3.01Å; L438-S440 PolarHBondContact O-N 3.35Å; S440-Y443 WeakPolarHBondContact O-CB 3.24Å; S440-Y443 PolarHBondContact O-N 3.37Å; S440-M444 VanDerWaalsContact O-CG 3.27Å; S440-M444 WeakPolarHBondContact O-CG 3.48Å; S440-M444 PolarHBondContact O-N 3.46Å
441V86.9Confident92.4Very high47 Ų4721.4 Ų21.429%0.28511%0.114SC..Hα-helixtrans-74.3-46.8-179171.70000110.7L438 Y439 Y443 M444 S445 W523L438-V441 PolarHBondContact O-N 3.19Å; L438-V441 VanDerWaalsContact O-N 3.17Å; Y439-V441 PolarHBondContact O-N 2.73Å; Y439-V441 VanDerWaalsContact O-N 3.13Å; V441-Y443 PolarHBondContact O-N 2.89Å; V441-M444 PolarHBondContact O-N 3.16Å; V441-M444 VanDerWaalsContact O-N 3.1Å; V441-S445 WeakPolarHBondContact O-CB 3.36Å; V441-S445 PolarHBondContact O-N 2.82Å; V441-S445 PolarHBondContact O-OG 2.63Å; V441-W523 HydrophobicContact CB-CH2 3.84Å; V441-W523 HydrophobicContact CB-CZ2 4.14Å; V441-W523 HydrophobicContact CG1-CH2 3.92Å; V441-W523 HydrophobicContact CG1-CZ2 4.17Å; V441-W523 HydrophobicContact CG2-CH2 3.38Å; V441-W523 HydrophobicContact CG2-CZ2 3.27Å
442L92Very high92.6Very high17 Ų1718.9 Ų18.99%0.08910%0.1CC..Hα-helixtrans-56.6-37.7171.6-70.7-175.8000111.8I252 L255 Y344 W347 Y439 S446 L447I252-L442 HydrophobicContact CD1-CD1 4.27Å; I252-L442 HydrophobicContact CD1-CD2 4.32Å; L255-L442 HydrophobicContact CB-CD1 4.1Å; L255-L442 HydrophobicContact CD1-CD1 3.52Å; L255-L442 HydrophobicContact CD1-CG 4.08Å; L255-L442 HydrophobicContact CG-CD1 4.48Å; Y344-L442 HydrophobicContact CE2-CD2 4.38Å; W347-L442 HydrophobicContact CH2-CB 4Å; W347-L442 HydrophobicContact CH2-CD1 4.23Å; W347-L442 HydrophobicContact CH2-CD2 4.45Å; W347-L442 HydrophobicContact CH2-CG 4.48Å; W347-L442 HydrophobicContact CZ2-CD1 4.23Å; Y439-L442 HydrophobicContact CD2-CD1 4.25Å; Y439-L442 HydrophobicContact CE2-CD1 4.44Å; Y439-L442 PolarHBondContact O-N 3.44Å; L442-S446 WeakPolarHBondContact O-CA 3.27Å; L442-S446 VanDerWaalsContact O-CB 3.24Å; L442-S446 WeakPolarHBondContact O-CB 3.44Å; L442-S446 PolarHBondContact O-N 3.04Å; L442-L447 PolarHBondContact O-N 3.13Å; L442-L447 VanDerWaalsContact O-N 3.11Å
443Y92.5Very high92.8Very high44 Ų4419.1 Ų19.117%0.17310%0.098CC..Iπ-helixtrans-62.6-49.8175.5-173.5-87.8000111.6F386 L390 Y439 S440 V441 L447 L448 K451F386-Y443 HydrophobicContact CE1-CE1 4.35Å; L390-Y443 HydrophobicContact CD2-CD1 4.48Å; L390-Y443 HydrophobicContact CD2-CE1 3.85Å; Y439-Y443 PolarHBondContact O-N 3.38Å; S440-Y443 WeakPolarHBondContact O-CB 3.24Å; S440-Y443 PolarHBondContact O-N 3.37Å; V441-Y443 PolarHBondContact O-N 2.89Å; Y443-L447 HydrophobicContact CD2-CB 4.16Å; Y443-L447 HydrophobicContact CD2-CD1 3.93Å; Y443-L447 PolarHBondContact O-N 3.29Å; Y443-L448 HydrophobicContact CE1-CD1 4.32Å; Y443-L448 WeakPolarHBondContact O-CB 3.4Å; Y443-L448 PolarHBondContact O-N 3.28Å; Y443-K451 PolarHBondContact OH-NZ 3.38Å
444M90.7Very high92.8Very high27 Ų2719.1 Ų19.113%0.13310%0.098CC..Iπ-helixtrans-71.9-38.7-176.8-68.7-53.6-59.600114.1L390 V394 F409 V413 S440 V441 L448 W484L390-M444 HydrophobicContact CD1-CE 4.23Å; L390-M444 HydrophobicContact CD1-SD 4.35Å; L390-M444 HydrophobicContact CD2-CE 4.07Å; L390-M444 HydrophobicContact CD2-SD 3.49Å; L390-M444 WeakPolarHBondContact CD2-SD 3.28Å; L390-M444 HydrophobicContact CG-CE 3.99Å; L390-M444 HydrophobicContact CG-SD 4.07Å; V394-M444 HydrophobicContact CG2-CE 3.64Å; F409-M444 HydrophobicContact CE1-CE 3.98Å; F409-M444 HydrophobicContact CZ-CE 3.65Å; V413-M444 HydrophobicContact CG1-CG 4.19Å; S440-M444 VanDerWaalsContact O-CG 3.27Å; S440-M444 WeakPolarHBondContact O-CG 3.48Å; S440-M444 PolarHBondContact O-N 3.46Å; V441-M444 PolarHBondContact O-N 3.16Å; V441-M444 VanDerWaalsContact O-N 3.1Å; M444-L448 HydrophobicContact CE-CD2 3.86Å; M444-L448 HydrophobicContact SD-CD2 4.32Å; M444-W484 PolarHBondContact O-NE1 3.04Å
445S91.7Very high92.7Very high22 Ų2220.5 Ų20.515%0.15410%0.104CC..Iπ-helixtrans-81.5-33.6-177.160.80000113V441V441-S445 WeakPolarHBondContact O-CB 3.36Å; V441-S445 PolarHBondContact O-N 2.82Å; V441-S445 PolarHBondContact O-OG 2.63Å
446S93.9Very high92.7Very high0 Ų024.4 Ų24.40%014%0.137CC..Iπ-helixtrans-123.6-54.4-162.5-44.70000112.1Y344 L442 P449 A450Y344-S446 WeakPolarHBondContact OH-CB 3.32Å; Y344-S446 PolarHBondContact OH-OG 3.2Å; L442-S446 WeakPolarHBondContact O-CA 3.27Å; L442-S446 VanDerWaalsContact O-CB 3.24Å; L442-S446 WeakPolarHBondContact O-CB 3.44Å; L442-S446 PolarHBondContact O-N 3.04Å; S446-P449 WeakPolarHBondContact O-CD 3.35Å; S446-P449 WeakPolarHBondContact O-CG 3.48Å; S446-A450 WeakPolarHBondContact O-CB 3.41Å; S446-A450 PolarHBondContact O-N 3.45Å; S446-A450 VanDerWaalsContact O-N 3.14Å
447L94.1Very high92.5Very high7 Ų724.2 Ų24.24%0.03714%0.137CC..Iπ-helixtrans-72.8-38.8-174-58.8179.2000113W347 Q351 Y439 L442 Y443 A450 K451W347-L447 HydrophobicContact CH2-CD1 4.33Å; W347-L447 HydrophobicContact CH2-CD2 3.58Å; W347-L447 HydrophobicContact CH2-CG 3.86Å; W347-L447 HydrophobicContact CZ2-CD1 4.3Å; W347-L447 HydrophobicContact CZ2-CD2 3.86Å; W347-L447 HydrophobicContact CZ2-CG 4.27Å; W347-L447 HydrophobicContact CZ3-CD2 4.33Å; Q351-L447 HydrophobicContact CB-CD2 3.49Å; Q351-L447 VanDerWaalsContact CB-CD2 3.49Å; Q351-L447 HydrophobicContact CG-CD2 3.63Å; Y439-L447 HydrophobicContact CE1-CD1 3.99Å; Y439-L447 WeakPolarHBondContact OH-CD1 3.47Å; L442-L447 PolarHBondContact O-N 3.13Å; L442-L447 VanDerWaalsContact O-N 3.11Å; Y443-L447 HydrophobicContact CD2-CB 4.16Å; Y443-L447 HydrophobicContact CD2-CD1 3.93Å; Y443-L447 PolarHBondContact O-N 3.29Å; L447-A450 PolarHBondContact O-N 3.17Å; L447-K451 WeakPolarHBondContact O-CG 3.47Å; L447-K451 PolarHBondContact O-N 3.36Å
448L94.4Very high92.2Very high0 Ų025.9 Ų25.90%015%0.146CC..Hα-helixtrans-58.2-53.3-179.6-171.164.7000112.1P387 L390 I391 Y443 M444 K451 M452 W484P387-L448 HydrophobicContact CB-CD1 3.88Å; L390-L448 HydrophobicContact CD2-CD1 4.26Å; L390-L448 HydrophobicContact CD2-CD2 4.13Å; L390-L448 HydrophobicContact CG-CD2 4.14Å; I391-L448 HydrophobicContact CD1-CD1 4Å; I391-L448 HydrophobicContact CD1-CG 3.94Å; I391-L448 HydrophobicContact CG1-CD1 3.82Å; I391-L448 HydrophobicContact CG1-CD2 3.66Å; I391-L448 HydrophobicContact CG1-CG 3.57Å; Y443-L448 HydrophobicContact CE1-CD1 4.32Å; Y443-L448 WeakPolarHBondContact O-CB 3.4Å; Y443-L448 PolarHBondContact O-N 3.28Å; M444-L448 HydrophobicContact CE-CD2 3.86Å; M444-L448 HydrophobicContact SD-CD2 4.32Å; L448-K451 PolarHBondContact O-N 3.47Å; L448-M452 PolarHBondContact O-N 3.39Å; L448-W484 HydrophobicContact CD2-CH2 4.28Å; L448-W484 HydrophobicContact CD2-CZ2 4.04Å
449P95.5Very high91.7Very high9 Ų929.3 Ų29.36%0.05816%0.164CC..Hα-helixtrans-69.7-32.617529.4-37.2000113S446 K451 M452 F453 P480 V481 W484S446-P449 WeakPolarHBondContact O-CD 3.35Å; S446-P449 WeakPolarHBondContact O-CG 3.48Å; P449-K451 VanDerWaalsContact C-N 3.28Å; P449-K451 PolarHBondContact O-N 2.93Å; P449-M452 PolarHBondContact O-N 3.41Å; P449-F453 PolarHBondContact O-N 3.44Å; P449-P480 HydrophobicContact CB-CB 4.1Å; P449-P480 WeakPolarHBondContact CB-O 3.35Å; P449-V481 HydrophobicContact CG-CG2 4.43Å; P449-W484 HydrophobicContact CB-CB 3.64Å; P449-W484 HydrophobicContact CB-CD2 4.32Å; P449-W484 HydrophobicContact CB-CG 3.88Å; P449-W484 HydrophobicContact CG-CB 3.83Å; P449-W484 HydrophobicContact CG-CD2 4.45Å; P449-W484 HydrophobicContact CG-CG 3.79Å
450A93.9Very high91.1Very high0 Ų034.4 Ų34.40%019%0.186CC..Hα-helixtrans-61.5-35174.700000112.7L348 S446 L447 F453 A454L348-A450 HydrophobicContact CD1-CB 4.06Å; S446-A450 WeakPolarHBondContact O-CB 3.41Å; S446-A450 PolarHBondContact O-N 3.45Å; S446-A450 VanDerWaalsContact O-N 3.14Å; L447-A450 PolarHBondContact O-N 3.17Å; A450-F453 PolarHBondContact O-N 2.85Å; A450-A454 VanDerWaalsContact O-CB 3.24Å; A450-A454 WeakPolarHBondContact O-CB 3.33Å; A450-A454 PolarHBondContact O-N 2.88Å
451K94.4Very high89.9Confident39 Ų3936 Ų3617%0.1720%0.2CC..Hα-helixtrans-62.6-43.8173.3-76.5178.8-177.3-170.30112F359 P387 Y443 L447 L448 P449 A454 I455F359-K451 HydrophobicContact CE2-CB 4.03Å; F359-K451 HydrophobicContact CE2-CG 4.25Å; F359-K451 HydrophobicContact CZ-CB 4.39Å; P387-K451 HydrophobicContact CB-CD 4.34Å; P387-K451 HydrophobicContact CG-CD 4.01Å; Y443-K451 PolarHBondContact OH-NZ 3.38Å; L447-K451 WeakPolarHBondContact O-CG 3.47Å; L447-K451 PolarHBondContact O-N 3.36Å; L448-K451 PolarHBondContact O-N 3.47Å; P449-K451 VanDerWaalsContact C-N 3.28Å; P449-K451 PolarHBondContact O-N 2.93Å; K451-A454 WeakPolarHBondContact O-CB 3.35Å; K451-A454 PolarHBondContact O-N 2.86Å; K451-I455 WeakPolarHBondContact O-CG1 3.19Å; K451-I455 PolarHBondContact O-N 3.47Å
452M94.7Very high88.5Confident66 Ų6637.2 Ų37.233%0.32522%0.223SC..Hα-helixtrans-64.6-42.8177.8-62-51.6-62.900111.8F388 I391 L448 P449 A454 I455 A456F388-M452 HydrophobicContact CD1-CE 4.02Å; F388-M452 HydrophobicContact CD1-SD 4.19Å; F388-M452 HydrophobicContact CE1-CE 3.72Å; F388-M452 HydrophobicContact CE1-SD 4.01Å; I391-M452 HydrophobicContact CD1-CG 3.25Å; I391-M452 HydrophobicContact CD1-SD 3.48Å; I391-M452 WeakPolarHBondContact CD1-SD 3.4Å; L448-M452 PolarHBondContact O-N 3.39Å; P449-M452 PolarHBondContact O-N 3.41Å; M452-A454 VanDerWaalsContact C-N 3.32Å; M452-A454 PolarHBondContact O-N 3.23Å; M452-I455 PolarHBondContact O-N 3.45Å; M452-I455 HydrophobicContact SD-CD1 4.44Å; M452-A456 WeakPolarHBondContact O-CB 3.42Å; M452-A456 PolarHBondContact O-N 3.45Å
453F93.6Very high86.6Confident38 Ų3839.7 Ų39.717%0.16723%0.231CC..Hα-helixtrans-66-36175.1-179.3-101.6000112.6T352 P449 A450 A456 T457 I476 I479 P480T352-F453 HydrophobicContact CG2-CD1 4.02Å; P449-F453 PolarHBondContact O-N 3.44Å; A450-F453 PolarHBondContact O-N 2.85Å; F453-A456 PolarHBondContact O-N 3.2Å; F453-T457 HydrophobicContact CD2-CG2 4.18Å; F453-T457 HydrophobicContact CE1-CG2 4.33Å; F453-T457 HydrophobicContact CE2-CG2 3.79Å; F453-T457 HydrophobicContact CZ-CG2 3.88Å; F453-T457 WeakPolarHBondContact O-CB 3.28Å; F453-T457 PolarHBondContact O-N 3.43Å; F453-T457 PolarHBondContact O-OG1 2.6Å; F453-I476 HydrophobicContact CE1-CG2 3.75Å; F453-I476 HydrophobicContact CZ-CG2 3.66Å; F453-I479 HydrophobicContact CE2-CG2 4.47Å; F453-P480 HydrophobicContact CB-CB 3.68Å; F453-P480 HydrophobicContact CB-CG 3.87Å; F453-P480 HydrophobicContact CD1-CG 4.07Å; F453-P480 HydrophobicContact CG-CB 4.13Å; F453-P480 HydrophobicContact CG-CG 3.92Å
454A92.1Very high84.8Confident0 Ų039.3 Ų39.30%024%0.24CC..Hα-helixtrans-60.9-44.1173.300000111.7T352 K356 A450 K451 M452 T457 I458T352-A454 HydrophobicContact CG2-CB 4.38Å; K356-A454 HydrophobicContact CB-CB 4.46Å; K356-A454 HydrophobicContact CG-CB 3.58Å; A450-A454 VanDerWaalsContact O-CB 3.24Å; A450-A454 WeakPolarHBondContact O-CB 3.33Å; A450-A454 PolarHBondContact O-N 2.88Å; K451-A454 WeakPolarHBondContact O-CB 3.35Å; K451-A454 PolarHBondContact O-N 2.86Å; M452-A454 VanDerWaalsContact C-N 3.32Å; M452-A454 PolarHBondContact O-N 3.23Å; A454-T457 CarbonylContact O-C 3.56Å; A454-T457 PolarHBondContact O-N 3.35Å; A454-I458 VanDerWaalsContact O-CA 3.26Å; A454-I458 WeakPolarHBondContact O-CA 3.37Å; A454-I458 WeakPolarHBondContact O-CB 3.29Å; A454-I458 PolarHBondContact O-N 3.34Å
455I92.6Very high83.2Confident54 Ų5440.6 Ų40.628%0.27725%0.25SC..Hα-helixtrans-62.6-50.4174.3-64.2165.8000110.4F359 F388 K451 M452 T457 I458F359-I455 HydrophobicContact CB-CG1 4.35Å; F359-I455 HydrophobicContact CD1-CD1 4.13Å; F359-I455 HydrophobicContact CD1-CG1 4.1Å; F359-I455 HydrophobicContact CD2-CD1 4.02Å; F359-I455 HydrophobicContact CD2-CG1 3.42Å; F359-I455 VanDerWaalsContact CD2-CG1 3.42Å; F359-I455 HydrophobicContact CE1-CD1 3.86Å; F359-I455 HydrophobicContact CE1-CG1 4.26Å; F359-I455 HydrophobicContact CE2-CD1 3.74Å; F359-I455 HydrophobicContact CE2-CG1 3.61Å; F359-I455 HydrophobicContact CG-CD1 4.21Å; F359-I455 HydrophobicContact CG-CG1 3.69Å; F359-I455 HydrophobicContact CZ-CD1 3.66Å; F359-I455 HydrophobicContact CZ-CG1 4.04Å; F388-I455 HydrophobicContact CE1-CD1 4.29Å; F388-I455 HydrophobicContact CZ-CD1 3.68Å; K451-I455 WeakPolarHBondContact O-CG1 3.19Å; K451-I455 PolarHBondContact O-N 3.47Å; M452-I455 PolarHBondContact O-N 3.45Å; M452-I455 HydrophobicContact SD-CD1 4.44Å; I455-T457 PolarHBondContact O-N 3.23Å; I455-T457 VanDerWaalsContact O-N 3.14Å; I455-I458 WeakPolarHBondContact O-CB 3.45Å; I455-I458 WeakPolarHBondContact O-CG2 3.28Å; I455-I458 PolarHBondContact O-N 2.92Å
456A92.3Very high81.5Confident84 Ų8441.1 Ų41.169%0.69425%0.254SS*.Hα-helixtrans-62.6-22.9-178.500000113.4M452 F453M452-A456 WeakPolarHBondContact O-CB 3.42Å; M452-A456 PolarHBondContact O-N 3.45Å; F453-A456 PolarHBondContact O-N 3.2Å
457T89.3Confident79.7Confident16 Ų1641.6 Ų41.610%0.09826%0.258CS..THydrogen-bonded Turntrans-120.425.8-178.565.10000112.9K356 F453 A454 I455 N459 K460K356-T457 WeakPolarHBondContact CE-O 3.4Å; K356-T457 WeakPolarHBondContact CE-OG1 3.44Å; K356-T457 PolarHBondContact NZ-O 2.83Å; K356-T457 PolarHBondContact NZ-OG1 2.9Å; F453-T457 HydrophobicContact CD2-CG2 4.18Å; F453-T457 HydrophobicContact CE1-CG2 4.33Å; F453-T457 HydrophobicContact CE2-CG2 3.79Å; F453-T457 HydrophobicContact CZ-CG2 3.88Å; F453-T457 WeakPolarHBondContact O-CB 3.28Å; F453-T457 PolarHBondContact O-N 3.43Å; F453-T457 PolarHBondContact O-OG1 2.6Å; A454-T457 CarbonylContact O-C 3.56Å; A454-T457 PolarHBondContact O-N 3.35Å; I455-T457 PolarHBondContact O-N 3.23Å; I455-T457 VanDerWaalsContact O-N 3.14Å; T457-N459 VanDerWaalsContact C-N 3.26Å; T457-N459 PolarHBondContact O-N 3.2Å; T457-K460 PolarHBondContact O-N 3.35Å
458I86.9Confident78.2Confident36 Ų3644.2 Ų44.219%0.18527%0.268CS..THydrogen-bonded Turntrans-59.4-33.5-171.6-166.5167000113.2F304 F359 R360 A454 I455 K460F304-I458 HydrophobicContact CE1-CD1 4.07Å; F304-I458 HydrophobicContact CE1-CG1 4.08Å; F304-I458 HydrophobicContact CE1-CG2 3.97Å; F304-I458 HydrophobicContact CZ-CD1 4.16Å; F359-I458 HydrophobicContact CB-CD1 4.02Å; R360-I458 HydrophobicContact CB-CD1 4.08Å; R360-I458 HydrophobicContact CB-CG1 4.42Å; A454-I458 VanDerWaalsContact O-CA 3.26Å; A454-I458 WeakPolarHBondContact O-CA 3.37Å; A454-I458 WeakPolarHBondContact O-CB 3.29Å; A454-I458 PolarHBondContact O-N 3.34Å; I455-I458 WeakPolarHBondContact O-CB 3.45Å; I455-I458 WeakPolarHBondContact O-CG2 3.28Å; I455-I458 PolarHBondContact O-N 2.92Å; I458-K460 VanDerWaalsContact C-N 3.34Å; I458-K460 PolarHBondContact O-N 2.87Å
459N82.5Confident76.4Confident75 Ų7548.7 Ų48.740%0.40129%0.287SS..THydrogen-bonded Turntrans-82-5.8179.4-65.9-8.6000114.3F304 M305 T457 A461F304-N459 WeakPolarHBondContact CD1-OD1 3.35Å; F304-N459 WeakPolarHBondContact CE1-OD1 3.18Å; M305-N459 PolarHBondContact SD-ND2 2.89Å; T457-N459 VanDerWaalsContact C-N 3.26Å; T457-N459 PolarHBondContact O-N 3.2Å; N459-A461 PolarHBondContact O-N 3.34Å
460K79.2Confident74.6Confident122 Ų12251.7 Ų51.753%0.5331%0.305SS..  trans-88.1113.2-178.5-67-168.1177.2-172.40110.8T457 I458 W463T457-K460 PolarHBondContact O-N 3.35Å; I458-K460 VanDerWaalsContact C-N 3.34Å; I458-K460 PolarHBondContact O-N 2.87Å; K460-W463 HydrophobicContact CD-CZ2 3.89Å; K460-W463 VanDerWaalsContact O-CD1 3.31Å
461A64.8Low73.1Confident52 Ų5256.1 Ų56.143%0.4333%0.328SS..  trans-82.7-17.6-17900000115.1F311 N459 W463F311-A461 WeakPolarHBondContact CE2-O 3.5Å; F311-A461 WeakPolarHBondContact CZ-O 3.5Å; N459-A461 PolarHBondContact O-N 3.34Å; A461-W463 VanDerWaalsContact C-N 3.3Å; A461-W463 PolarHBondContact O-N 3.46Å; A461-W463 VanDerWaalsContact O-N 3.12Å
462G56.7Low71.7Confident74 Ų7459.1 Ų59.176%0.76335%0.349SS*.  trans-76.77.6-168.300000117.9G464G462-G464 PolarHBondContact O-N 2.92Å
463W53.3Low70.7Confident69 Ų6960 Ų6026%0.26136%0.358SS..  trans-100.636.1-173.3-44.495.4000113.1K460 A461 I476K460-W463 HydrophobicContact CD-CZ2 3.89Å; K460-W463 VanDerWaalsContact O-CD1 3.31Å; A461-W463 VanDerWaalsContact C-N 3.3Å; A461-W463 PolarHBondContact O-N 3.46Å; A461-W463 VanDerWaalsContact O-N 3.12Å; W463-I476 HydrophobicContact CD2-CG2 4.11Å; W463-I476 HydrophobicContact CE3-CB 3.81Å; W463-I476 HydrophobicContact CE3-CD1 3.65Å; W463-I476 HydrophobicContact CE3-CG1 3.78Å; W463-I476 HydrophobicContact CE3-CG2 3.68Å; W463-I476 HydrophobicContact CH2-CB 4.29Å; W463-I476 HydrophobicContact CH2-CD1 4.14Å; W463-I476 HydrophobicContact CH2-CG1 3.74Å; W463-I476 HydrophobicContact CH2-CG2 3.79Å; W463-I476 HydrophobicContact CZ2-CG2 4.18Å; W463-I476 HydrophobicContact CZ3-CB 3.69Å; W463-I476 HydrophobicContact CZ3-CD1 3.14Å; W463-I476 HydrophobicContact CZ3-CG1 3.16Å; W463-I476 HydrophobicContact CZ3-CG2 3.61Å
464G53.6Low70.1Confident35 Ų3559.7 Ų59.736%0.36136%0.358SS..PPolyproline II helixtrans-58.9151.9178.500000112.3G462G462-G464 PolarHBondContact O-N 2.92Å
465T56.8Low69.8Low55 Ų5565.9 Ų65.934%0.33739%0.385SS..PPolyproline II helixtrans-77.3130.9164.643.10000107.9Q350Q350-T465 HydrophobicContact CB-CG2 4.39Å
466S57.1Low69.4Low33 Ų3365.5 Ų65.523%0.23138%0.384CS..PPolyproline II helixtrans-58.9162.517569.80000111.4T470 V472S466-T470 VanDerWaalsContact CB-O 3.29Å; S466-T470 WeakPolarHBondContact CB-O 3.22Å; S466-T470 PolarHBondContact OG-O 3.22Å; S466-V472 PolarHBondContact OG-N 3.22Å
467G56.2Low69Low9 Ų961.6 Ų61.69%0.09335%0.351CS..PPolyproline II helixtrans-51.5160.6168.800000111.6T470G467-T470 CarbonylContact O-C 3.45Å
468R63.3Low69.1Low63 Ų6363.6 Ų63.624%0.23836%0.361CS..SBendtrans-84.2-27.4-178.2-70.6164.7-178-144.33.3112.2Q93 E94 D214 E339 R346Q93-R468 PolarHBondContact O-N 3.01Å; E94-R468 WeakPolarHBondContact OE1-CD 3.38Å; E94-R468 IonicContact OE1-CZ 3.74Å; E94-R468 IonicContact OE1-NE 2.93Å; E94-R468 IonicContact OE1-NH1 2.94Å; E94-R468 PolarHBondContact OE1-NH1 3.15Å; E94-R468 IonicContact OE2-NE 3.53Å; E94-R468 IonicContact OE2-NH1 2.7Å; D214-R468 VanDerWaalsContact CG-NH1 3.26Å; D214-R468 IonicContact OD2-CZ 2.73Å; D214-R468 IonicContact OD2-NH1 3.64Å; D214-R468 PolarHBondContact OD2-NH1 3.15Å; D214-R468 IonicContact OD2-NH2 3.65Å; D214-R468 PolarHBondContact OD2-NH2 2.91Å; E339-R468 IonicContact OE2-CZ 3.26Å; E339-R468 IonicContact OE2-NH1 3.95Å; E339-R468 PolarHBondContact OE2-NH1 3.5Å; E339-R468 IonicContact OE2-NH2 2.87Å; R346-R468 VanDerWaalsContact NH2-CG 3.29Å
469K55.2Low69.3Low93 Ų9366 Ų6640%0.40437%0.373SS..SBendtrans-65.2-38.9168.8-164.5-174.7-177.5-165.70112.4Q93 D126 Y129Q93-K469 HydrophobicContact CB-CB 4.02Å; Q93-K469 PolarHBondContact O-N 3.02Å; D126-K469 PolarHBondContact O-NZ 3.14Å; D126-K469 IonicContact OD1-NZ 3.6Å; D126-K469 PolarHBondContact OD1-NZ 3.08Å; Y129-K469 HydrophobicContact CE1-CD 3.98Å
470T59Low69.9Low72 Ų7263 Ų6344%0.44236%0.358SS..SBendtrans-121.199.5-179.356.10000111.3Q93 S466 G467 V472Q93-T470 PolarHBondContact OE1-OG1 3.35Å; S466-T470 VanDerWaalsContact CB-O 3.29Å; S466-T470 WeakPolarHBondContact CB-O 3.22Å; S466-T470 PolarHBondContact OG-O 3.22Å; G467-T470 CarbonylContact O-C 3.45Å; T470-V472 PolarHBondContact O-N 2.97Å
471I62Low70.6Confident93 Ų9357.8 Ų57.848%0.47734%0.336SS..  trans-83111.5-179.2-61.2172.3000109.6
472V65.4Low72.1Confident103 Ų10358.6 Ų58.662%0.62434%0.338SS*.  trans-100.7121.7171.5-176.80000108.9S466 T470 N474S466-V472 PolarHBondContact OG-N 3.22Å; T470-V472 PolarHBondContact O-N 2.97Å; V472-N474 PolarHBondContact O-N 2.75Å
473V73.3Confident74Confident83 Ų8358.9 Ų58.950%0.50333%0.326SS..  trans-73.6121.5-179.5-171.80000109.8L345 F475L345-V473 HydrophobicContact CD2-CG1 3.73Å; V473-F475 HydrophobicContact CB-CE2 4.14Å; V473-F475 HydrophobicContact CB-CZ 4.38Å; V473-F475 HydrophobicContact CG1-CD1 4.41Å; V473-F475 HydrophobicContact CG1-CD2 4.07Å; V473-F475 HydrophobicContact CG1-CE1 3.9Å; V473-F475 HydrophobicContact CG1-CE2 3.5Å; V473-F475 VanDerWaalsContact CG1-CE2 3.5Å; V473-F475 HydrophobicContact CG1-CZ 3.41Å; V473-F475 VanDerWaalsContact CG1-CZ 3.41Å
474N80.1Confident76Confident32 Ų3256.4 Ų56.417%0.17132%0.316CS..  trans-114.4111.3178.1178.7-16.1000109.6L345 N349 V472 I476L345-N474 WeakPolarHBondContact CD1-O 3.34Å; L345-N474 WeakPolarHBondContact CD2-O 3.31Å; L345-N474 WeakPolarHBondContact CG-O 3.45Å; N349-N474 PolarHBondContact ND2-O 3.21Å; V472-N474 PolarHBondContact O-N 2.75Å; N474-I476 WeakPolarHBondContact OD1-CB 3.46Å; N474-I476 WeakPolarHBondContact OD1-CD1 3.19Å; N474-I476 PolarHBondContact OD1-N 3.35Å
475F86Confident78.1Confident130 Ų13059.8 Ų59.857%0.5732%0.321SS*.  trans-86.1-3.7-176.7-67.5-79.9000114.5L345 V473 G477 L478L345-F475 HydrophobicContact CD2-CD1 3.61Å; L345-F475 HydrophobicContact CD2-CE1 3.83Å; L345-F475 HydrophobicContact CD2-CG 4.28Å; V473-F475 HydrophobicContact CB-CE2 4.14Å; V473-F475 HydrophobicContact CB-CZ 4.38Å; V473-F475 HydrophobicContact CG1-CD1 4.41Å; V473-F475 HydrophobicContact CG1-CD2 4.07Å; V473-F475 HydrophobicContact CG1-CE1 3.9Å; V473-F475 HydrophobicContact CG1-CE2 3.5Å; V473-F475 VanDerWaalsContact CG1-CE2 3.5Å; V473-F475 HydrophobicContact CG1-CZ 3.41Å; V473-F475 VanDerWaalsContact CG1-CZ 3.41Å; F475-G477 PolarHBondContact O-N 2.99Å; F475-L478 HydrophobicContact CD1-CD1 3.85Å; F475-L478 WeakPolarHBondContact O-CB 3.48Å; F475-L478 PolarHBondContact O-N 2.82Å
476I84.1Confident80Confident47 Ų4762 Ų6224%0.24133%0.334CS..THydrogen-bonded Turntrans-63.3-31-174.2-71.7104.5000112.4F453 W463 N474 L478 I479 P480F453-I476 HydrophobicContact CE1-CG2 3.75Å; F453-I476 HydrophobicContact CZ-CG2 3.66Å; W463-I476 HydrophobicContact CD2-CG2 4.11Å; W463-I476 HydrophobicContact CE3-CB 3.81Å; W463-I476 HydrophobicContact CE3-CD1 3.65Å; W463-I476 HydrophobicContact CE3-CG1 3.78Å; W463-I476 HydrophobicContact CE3-CG2 3.68Å; W463-I476 HydrophobicContact CH2-CB 4.29Å; W463-I476 HydrophobicContact CH2-CD1 4.14Å; W463-I476 HydrophobicContact CH2-CG1 3.74Å; W463-I476 HydrophobicContact CH2-CG2 3.79Å; W463-I476 HydrophobicContact CZ2-CG2 4.18Å; W463-I476 HydrophobicContact CZ3-CB 3.69Å; W463-I476 HydrophobicContact CZ3-CD1 3.14Å; W463-I476 HydrophobicContact CZ3-CG1 3.16Å; W463-I476 HydrophobicContact CZ3-CG2 3.61Å; N474-I476 WeakPolarHBondContact OD1-CB 3.46Å; N474-I476 WeakPolarHBondContact OD1-CD1 3.19Å; N474-I476 PolarHBondContact OD1-N 3.35Å; I476-L478 PolarHBondContact O-N 2.92Å; I476-L478 VanDerWaalsContact O-N 3.15Å; I476-I479 HydrophobicContact CB-CD1 4.5Å; I476-I479 HydrophobicContact CG1-CD1 4.36Å; I476-I479 HydrophobicContact CG2-CD1 4.3Å; I476-I479 WeakPolarHBondContact O-CB 3.33Å; I476-I479 PolarHBondContact O-N 2.83Å; I476-I479 VanDerWaalsContact O-N 3.15Å; I476-P480 WeakPolarHBondContact O-CD 3.16Å
477G84.4Confident81.8Confident1 Ų163.3 Ų63.31%0.0134%0.338CS..THydrogen-bonded Turntrans-56.9-26.217200000114.1L348 N349 F475 P480L348-G477 WeakPolarHBondContact CD2-O 3.39Å; N349-G477 VanDerWaalsContact OD1-CA 3.23Å; N349-G477 WeakPolarHBondContact OD1-CA 3.43Å; N349-G477 PolarHBondContact OD1-N 3.42Å; N349-G477 VanDerWaalsContact OD1-N 3.08Å; F475-G477 PolarHBondContact O-N 2.99Å; G477-P480 WeakPolarHBondContact O-CD 3.23Å; G477-P480 VanDerWaalsContact O-CG 3.31Å; G477-P480 WeakPolarHBondContact O-CG 3.39Å
478L90.8Very high83.6Confident59 Ų5963.9 Ų63.931%0.30934%0.339SS..Hα-helixtrans-74-27.2179-63.6-177.7000113.3Y344 L345 L348 F475 I476 V481 S482Y344-L478 HydrophobicContact CE1-CD2 4.3Å; L345-L478 HydrophobicContact CD1-CD1 4.43Å; L345-L478 HydrophobicContact CD1-CD2 3.88Å; L345-L478 HydrophobicContact CD1-CG 3.7Å; L348-L478 HydrophobicContact CD2-CD2 4.46Å; F475-L478 HydrophobicContact CD1-CD1 3.85Å; F475-L478 WeakPolarHBondContact O-CB 3.48Å; F475-L478 PolarHBondContact O-N 2.82Å; I476-L478 PolarHBondContact O-N 2.92Å; I476-L478 VanDerWaalsContact O-N 3.15Å; L478-V481 PolarHBondContact O-N 3.05Å; L478-V481 VanDerWaalsContact O-N 3.12Å; L478-S482 PolarHBondContact O-N 3.14Å; L478-S482 PolarHBondContact O-OG 2.7Å; L478-S482 VanDerWaalsContact O-OG 3.12Å
479I91.9Very high85.2Confident87 Ų8765.9 Ų65.945%0.44635%0.354SS..Hα-helixtrans-52.1-55.9-177.7-62.6173.8000112F453 I476 V481 S482 V483F453-I479 HydrophobicContact CE2-CG2 4.47Å; I476-I479 HydrophobicContact CB-CD1 4.5Å; I476-I479 HydrophobicContact CG1-CD1 4.36Å; I476-I479 HydrophobicContact CG2-CD1 4.3Å; I476-I479 WeakPolarHBondContact O-CB 3.33Å; I476-I479 PolarHBondContact O-N 2.83Å; I476-I479 VanDerWaalsContact O-N 3.15Å; I479-V481 VanDerWaalsContact C-N 3.27Å; I479-V481 PolarHBondContact O-N 2.89Å; I479-S482 PolarHBondContact O-N 3.36Å; I479-V483 WeakPolarHBondContact O-CG2 3.37Å; I479-V483 PolarHBondContact O-N 3.34Å
480P94.1Very high87.1Confident11 Ų1162.9 Ų62.97%0.07135%0.35CS..Hα-helixtrans-60-37.417917.3-29.6000113.6P449 F453 I476 G477 W484P449-P480 HydrophobicContact CB-CB 4.1Å; P449-P480 WeakPolarHBondContact CB-O 3.35Å; F453-P480 HydrophobicContact CB-CB 3.68Å; F453-P480 HydrophobicContact CB-CG 3.87Å; F453-P480 HydrophobicContact CD1-CG 4.07Å; F453-P480 HydrophobicContact CG-CB 4.13Å; F453-P480 HydrophobicContact CG-CG 3.92Å; I476-P480 WeakPolarHBondContact O-CD 3.16Å; G477-P480 WeakPolarHBondContact O-CD 3.23Å; G477-P480 VanDerWaalsContact O-CG 3.31Å; G477-P480 WeakPolarHBondContact O-CG 3.39Å; P480-W484 VanDerWaalsContact O-CB 3.23Å; P480-W484 WeakPolarHBondContact O-CB 3.39Å; P480-W484 PolarHBondContact O-N 3.41Å
481V95.1Very high88.7Confident12 Ų1259.5 Ų59.57%0.07333%0.329CS..Hα-helixtrans-68.9-45.3-178.5178.60000110.3L348 P449 L478 I479 W484 F485L348-V481 HydrophobicContact CD1-CG2 4.42Å; L348-V481 HydrophobicContact CD2-CG2 3.68Å; P449-V481 HydrophobicContact CG-CG2 4.43Å; L478-V481 PolarHBondContact O-N 3.05Å; L478-V481 VanDerWaalsContact O-N 3.12Å; I479-V481 VanDerWaalsContact C-N 3.27Å; I479-V481 PolarHBondContact O-N 2.89Å; V481-W484 WeakPolarHBondContact O-CB 3.3Å; V481-W484 PolarHBondContact O-N 3.42Å; V481-F485 HydrophobicContact CG1-CD2 3.62Å; V481-F485 HydrophobicContact CG1-CE2 3.6Å; V481-F485 VanDerWaalsContact O-CD2 3.25Å; V481-F485 WeakPolarHBondContact O-CD2 3.49Å; V481-F485 PolarHBondContact O-N 3.11Å
482S95.8Very high90.2Very high69 Ų6957.2 Ų57.248%0.48332%0.319SS..Hα-helixtrans-59.8-48.7176.3-61.10000111.6L478 I479 W484 F485 T486L478-S482 PolarHBondContact O-N 3.14Å; L478-S482 PolarHBondContact O-OG 2.7Å; L478-S482 VanDerWaalsContact O-OG 3.12Å; I479-S482 PolarHBondContact O-N 3.36Å; S482-W484 VanDerWaalsContact C-N 3.31Å; S482-W484 PolarHBondContact O-N 2.77Å; S482-F485 PolarHBondContact O-N 3.45Å; S482-T486 PolarHBondContact O-N 2.8Å; S482-T486 PolarHBondContact O-OG1 3.4Å
483V96.1Very high91.5Very high81 Ų8157.1 Ų57.149%0.49131%0.314SS..Hα-helixtrans-58.7-44.5177.2172.20000111I479 T486 I487I479-V483 WeakPolarHBondContact O-CG2 3.37Å; I479-V483 PolarHBondContact O-N 3.34Å; V483-T486 PolarHBondContact O-N 3Å; V483-I487 HydrophobicContact CG1-CD1 3.89Å; V483-I487 WeakPolarHBondContact O-CG1 3.42Å; V483-I487 PolarHBondContact O-N 3.27Å
484W96.4Very high92.4Very high17 Ų1757.6 Ų57.66%0.06431%0.31CS..Hα-helixtrans-58.7-51177.8-179.5-120.3000112.2I391 V394 I395 M444 L448 P449 P480 V481 S482 T486 I487 L488I391-W484 HydrophobicContact CG1-CH2 4.32Å; I391-W484 HydrophobicContact CG1-CZ3 4.45Å; I391-W484 HydrophobicContact CG2-CH2 4.48Å; I391-W484 HydrophobicContact CG2-CZ3 4.17Å; V394-W484 HydrophobicContact CB-CH2 3.97Å; V394-W484 HydrophobicContact CB-CZ2 4.32Å; V394-W484 HydrophobicContact CG1-CH2 3.69Å; V394-W484 HydrophobicContact CG1-CZ2 3.78Å; I395-W484 HydrophobicContact CG1-CZ3 4.45Å; M444-W484 PolarHBondContact O-NE1 3.04Å; L448-W484 HydrophobicContact CD2-CH2 4.28Å; L448-W484 HydrophobicContact CD2-CZ2 4.04Å; P449-W484 HydrophobicContact CB-CB 3.64Å; P449-W484 HydrophobicContact CB-CD2 4.32Å; P449-W484 HydrophobicContact CB-CG 3.88Å; P449-W484 HydrophobicContact CG-CB 3.83Å; P449-W484 HydrophobicContact CG-CD2 4.45Å; P449-W484 HydrophobicContact CG-CG 3.79Å; P480-W484 VanDerWaalsContact O-CB 3.23Å; P480-W484 WeakPolarHBondContact O-CB 3.39Å; P480-W484 PolarHBondContact O-N 3.41Å; V481-W484 WeakPolarHBondContact O-CB 3.3Å; V481-W484 PolarHBondContact O-N 3.42Å; S482-W484 VanDerWaalsContact C-N 3.31Å; S482-W484 PolarHBondContact O-N 2.77Å; W484-T486 VanDerWaalsContact C-N 3.35Å; W484-T486 PolarHBondContact O-N 3.48Å; W484-I487 PolarHBondContact O-N 2.91Å; W484-L488 HydrophobicContact CD2-CD1 4.26Å; W484-L488 HydrophobicContact CD2-CG 4.32Å; W484-L488 HydrophobicContact CG-CD1 4.47Å; W484-L488 HydrophobicContact CH2-CD2 4.25Å; W484-L488 HydrophobicContact CZ2-CD1 4.03Å; W484-L488 HydrophobicContact CZ2-CD2 4.15Å; W484-L488 HydrophobicContact CZ2-CG 4.4Å; W484-L488 WeakPolarHBondContact O-CG 3.16Å; W484-L488 PolarHBondContact O-N 3.21Å
485F96.1Very high92.8Very high105 Ų10556.2 Ų56.246%0.46130%0.303SS..Hα-helixtrans-66.1-34.8179.2-82.7-73.1000113V481 S482 L488 L489V481-F485 HydrophobicContact CG1-CD2 3.62Å; V481-F485 HydrophobicContact CG1-CE2 3.6Å; V481-F485 VanDerWaalsContact O-CD2 3.25Å; V481-F485 WeakPolarHBondContact O-CD2 3.49Å; V481-F485 PolarHBondContact O-N 3.11Å; S482-F485 PolarHBondContact O-N 3.45Å; F485-L488 PolarHBondContact O-N 3.38Å; F485-L489 WeakPolarHBondContact O-CB 3.45Å; F485-L489 PolarHBondContact O-N 3.48Å
486T96.9Very high93Very high101 Ų10154.1 Ų54.162%0.6230%0.296SS*.Hα-helixtrans-62.3-43.7173.6-59.40000111.7S482 V483 W484 L489 G490S482-T486 PolarHBondContact O-N 2.8Å; S482-T486 PolarHBondContact O-OG1 3.4Å; V483-T486 PolarHBondContact O-N 3Å; W484-T486 VanDerWaalsContact C-N 3.35Å; W484-T486 PolarHBondContact O-N 3.48Å; T486-L489 PolarHBondContact O-N 3.07Å; T486-G490 PolarHBondContact O-N 3.38Å
487I95.8Very high93.3Very high61 Ų6158.3 Ų58.331%0.31331%0.31SS..Hα-helixtrans-62.7-48.2176.2-67.9166.3000110.4Y399 V483 W484 L489 G490 G491Y399-I487 HydrophobicContact CE2-CG2 4.02Å; Y399-I487 PolarHBondContact OH-O 3.02Å; V483-I487 HydrophobicContact CG1-CD1 3.89Å; V483-I487 WeakPolarHBondContact O-CG1 3.42Å; V483-I487 PolarHBondContact O-N 3.27Å; W484-I487 PolarHBondContact O-N 2.91Å; I487-L489 PolarHBondContact O-N 2.91Å; I487-G490 PolarHBondContact O-N 3.1Å; I487-G491 PolarHBondContact O-N 3.48Å
488L94.8Very high93.4Very high21 Ų2163.7 Ų63.711%0.1133%0.333CS..Hα-helixtrans-63.1-43179.7-64.9-173.6000112V394 F398 W484 F485 G490 G491 V492V394-L488 HydrophobicContact CG1-CD2 3.41Å; V394-L488 VanDerWaalsContact CG1-CD2 3.41Å; F398-L488 HydrophobicContact CD1-CB 4.01Å; F398-L488 HydrophobicContact CD1-CD2 3.82Å; F398-L488 HydrophobicContact CD1-CG 4.46Å; F398-L488 WeakPolarHBondContact CD1-O 3.32Å; F398-L488 HydrophobicContact CD2-CD2 4.36Å; F398-L488 HydrophobicContact CE1-CB 3.8Å; F398-L488 HydrophobicContact CE1-CD1 4.44Å; F398-L488 HydrophobicContact CE1-CD2 3.91Å; F398-L488 HydrophobicContact CE1-CG 4.25Å; F398-L488 HydrophobicContact CE2-CD2 4.43Å; F398-L488 HydrophobicContact CG-CD2 4.05Å; F398-L488 HydrophobicContact CZ-CD2 4.21Å; W484-L488 HydrophobicContact CD2-CD1 4.26Å; W484-L488 HydrophobicContact CD2-CG 4.32Å; W484-L488 HydrophobicContact CG-CD1 4.47Å; W484-L488 HydrophobicContact CH2-CD2 4.25Å; W484-L488 HydrophobicContact CZ2-CD1 4.03Å; W484-L488 HydrophobicContact CZ2-CD2 4.15Å; W484-L488 HydrophobicContact CZ2-CG 4.4Å; W484-L488 WeakPolarHBondContact O-CG 3.16Å; W484-L488 PolarHBondContact O-N 3.21Å; F485-L488 PolarHBondContact O-N 3.38Å; L488-G490 VanDerWaalsContact C-N 3.35Å; L488-G490 PolarHBondContact O-N 3.43Å; L488-G491 PolarHBondContact O-N 2.97Å; L488-V492 WeakPolarHBondContact O-CG2 3.32Å; L488-V492 PolarHBondContact O-N 3.44Å
489L95.2Very high93.2Very high105 Ų10562.5 Ų62.555%0.5533%0.326SS..Hα-helixtrans-61.6-44.1177.2-178.462000111.3F485 T486 I487 G491 V492 I493F485-L489 WeakPolarHBondContact O-CB 3.45Å; F485-L489 PolarHBondContact O-N 3.48Å; T486-L489 PolarHBondContact O-N 3.07Å; I487-L489 PolarHBondContact O-N 2.91Å; L489-G491 VanDerWaalsContact C-N 3.32Å; L489-G491 PolarHBondContact O-N 3.38Å; L489-V492 PolarHBondContact O-N 3.46Å; L489-I493 HydrophobicContact CD1-CD1 4.08Å; L489-I493 HydrophobicContact CD1-CG1 4.33Å; L489-I493 HydrophobicContact CG-CD1 3.91Å; L489-I493 VanDerWaalsContact O-CG1 3.31Å; L489-I493 WeakPolarHBondContact O-CG1 3.23Å; L489-I493 PolarHBondContact O-N 3.48Å
490G95.6Very high92.9Very high31 Ų3162.1 Ų62.132%0.3233%0.331SS..Hα-helixtrans-57.9-43.517400000112.6T486 I487 L488 F494T486-G490 PolarHBondContact O-N 3.38Å; I487-G490 PolarHBondContact O-N 3.1Å; L488-G490 VanDerWaalsContact C-N 3.35Å; L488-G490 PolarHBondContact O-N 3.43Å; G490-F494 VanDerWaalsContact O-CB 3.26Å; G490-F494 WeakPolarHBondContact O-CB 3.38Å; G490-F494 PolarHBondContact O-N 2.9Å
491G93.1Very high92.5Very high0 Ų068.3 Ų68.30%036%0.357CS..Hα-helixtrans-63.2-44.9175.300000113.3F398 I487 L488 L489 F494 T495F398-G491 CarbonylContact O-C 3.15Å; F398-G491 WeakPolarHBondContact O-CA 3.39Å; I487-G491 PolarHBondContact O-N 3.48Å; L488-G491 PolarHBondContact O-N 2.97Å; L489-G491 VanDerWaalsContact C-N 3.32Å; L489-G491 PolarHBondContact O-N 3.38Å; G491-F494 PolarHBondContact O-N 2.9Å; G491-T495 WeakPolarHBondContact O-CB 3.39Å; G491-T495 PolarHBondContact O-N 3.48Å; G491-T495 PolarHBondContact O-OG1 3.04Å; G491-T495 VanDerWaalsContact O-OG1 3.08Å
492V92.5Very high91.7Very high46 Ų4675 Ų7528%0.27939%0.385SS..Hα-helixtrans-59.8-50.2176.2171.50000110.9F398 I406 L488 L489 F494 T495 I496F398-V492 HydrophobicContact CD1-CG2 3.67Å; F398-V492 HydrophobicContact CE1-CG2 3.53Å; I406-V492 HydrophobicContact CD1-CG2 4.27Å; L488-V492 WeakPolarHBondContact O-CG2 3.32Å; L488-V492 PolarHBondContact O-N 3.44Å; L489-V492 PolarHBondContact O-N 3.46Å; V492-F494 VanDerWaalsContact C-N 3.33Å; V492-F494 PolarHBondContact O-N 3.41Å; V492-T495 PolarHBondContact O-N 3.04Å; V492-I496 HydrophobicContact CG1-CD1 3.63Å; V492-I496 HydrophobicContact CG1-CG1 4.37Å; V492-I496 VanDerWaalsContact O-CG1 3.29Å; V492-I496 WeakPolarHBondContact O-CG1 3.23Å; V492-I496 PolarHBondContact O-N 3.37Å
493I93.6Very high90.5Very high100 Ų10077.5 Ų77.551%0.51340%0.399SS..Hα-helixtrans-59.6-45.8179-67.9168.6000110.5L489 T495 I496 Y497L489-I493 HydrophobicContact CD1-CD1 4.08Å; L489-I493 HydrophobicContact CD1-CG1 4.33Å; L489-I493 HydrophobicContact CG-CD1 3.91Å; L489-I493 VanDerWaalsContact O-CG1 3.31Å; L489-I493 WeakPolarHBondContact O-CG1 3.23Å; L489-I493 PolarHBondContact O-N 3.48Å; I493-T495 PolarHBondContact O-N 3.3Å; I493-I496 PolarHBondContact O-N 2.88Å; I493-Y497 WeakPolarHBondContact O-CB 3.42Å; I493-Y497 PolarHBondContact O-N 2.89Å
494F91.8Very high89.5Confident94 Ų9477.9 Ų77.941%0.41240%0.395SS..Hα-helixtrans-60.3-44.8178.1177.3-99.7000112.3Y399 G490 G491 V492 Y497 K498Y399-F494 HydrophobicContact CD1-CD1 4.33Å; Y399-F494 WeakPolarHBondContact O-CE1 3.28Å; G490-F494 VanDerWaalsContact O-CB 3.26Å; G490-F494 WeakPolarHBondContact O-CB 3.38Å; G490-F494 PolarHBondContact O-N 2.9Å; G491-F494 PolarHBondContact O-N 2.9Å; V492-F494 VanDerWaalsContact C-N 3.33Å; V492-F494 PolarHBondContact O-N 3.41Å; F494-Y497 PolarHBondContact O-N 3.35Å; F494-K498 HydrophobicContact CE1-CD 4.39Å; F494-K498 WeakPolarHBondContact O-CB 3.26Å; F494-K498 PolarHBondContact O-N 3.33Å
495T89.6Confident88.6Confident3 Ų379.1 Ų79.12%0.01841%0.406CS..Hα-helixtrans-65.4-44.8179.2-66.30000111.3F398 I403 G491 V492 I493 Y497 K498 E499F398-T495 PolarHBondContact O-OG1 3.45Å; I403-T495 HydrophobicContact CG1-CG2 4.01Å; G491-T495 WeakPolarHBondContact O-CB 3.39Å; G491-T495 PolarHBondContact O-N 3.48Å; G491-T495 PolarHBondContact O-OG1 3.04Å; G491-T495 VanDerWaalsContact O-OG1 3.08Å; V492-T495 PolarHBondContact O-N 3.04Å; I493-T495 PolarHBondContact O-N 3.3Å; T495-Y497 PolarHBondContact O-N 3.32Å; T495-K498 PolarHBondContact O-N 2.86Å; T495-E499 PolarHBondContact O-N 3.48Å
496I89.1Confident87.8Confident85 Ų8581.8 Ų81.844%0.43642%0.42SS..Hα-helixtrans-59-47.6175.1-69167.7000110.6I403 V492 I493 K498 E499 S500I403-I496 HydrophobicContact CD1-CB 4.49Å; I403-I496 HydrophobicContact CD1-CG1 3.69Å; I403-I496 HydrophobicContact CG1-CG1 4.22Å; V492-I496 HydrophobicContact CG1-CD1 3.63Å; V492-I496 HydrophobicContact CG1-CG1 4.37Å; V492-I496 VanDerWaalsContact O-CG1 3.29Å; V492-I496 WeakPolarHBondContact O-CG1 3.23Å; V492-I496 PolarHBondContact O-N 3.37Å; I493-I496 PolarHBondContact O-N 2.88Å; I496-K498 VanDerWaalsContact C-N 3.31Å; I496-K498 PolarHBondContact O-N 3.28Å; I496-E499 PolarHBondContact O-N 2.98Å; I496-S500 WeakPolarHBondContact O-CB 3.22Å; I496-S500 PolarHBondContact O-N 3.05Å; I496-S500 PolarHBondContact O-OG 3.36Å
497Y89.9Confident86.8Confident136 Ų13680.5 Ų80.553%0.53342%0.415SS..Hα-helixtrans-61.1-38.6178.6173.9-100.4000112.9I493 F494 T495 S500 K501I493-Y497 WeakPolarHBondContact O-CB 3.42Å; I493-Y497 PolarHBondContact O-N 2.89Å; F494-Y497 PolarHBondContact O-N 3.35Å; T495-Y497 PolarHBondContact O-N 3.32Å; Y497-S500 PolarHBondContact O-OG 3.18Å; Y497-K501 VanDerWaalsContact CE1-CE 3.45Å; Y497-K501 VanDerWaalsContact CZ-NZ 3.32Å; Y497-K501 WeakPolarHBondContact OH-CE 2.95Å; Y497-K501 PolarHBondContact OH-NZ 3.44Å
498K87.9Confident85.9Confident114 Ų11481 Ų8150%0.49642%0.415SS..Hα-helixtrans-71.1-37.5178.4-172.2179.2179.5-178.10111.9F494 T495 I496F494-K498 HydrophobicContact CE1-CD 4.39Å; F494-K498 WeakPolarHBondContact O-CB 3.26Å; F494-K498 PolarHBondContact O-N 3.33Å; T495-K498 PolarHBondContact O-N 2.86Å; I496-K498 VanDerWaalsContact C-N 3.31Å; I496-K498 PolarHBondContact O-N 3.28Å
499E86.1Confident85.4Confident34 Ų3485 Ų8516%0.15943%0.433CS..Hα-helixtrans-75.4-35.1178.3-73.5-164.4165.700112.8K402 I403 T495 I496 K501 K502 F504K402-E499 WeakPolarHBondContact CA-OE1 3.47Å; K402-E499 WeakPolarHBondContact CB-OE1 3.34Å; K402-E499 WeakPolarHBondContact CG-OE1 3.42Å; I403-E499 VanDerWaalsContact CD1-OE2 3.32Å; I403-E499 WeakPolarHBondContact CD1-OE2 3.33Å; I403-E499 VanDerWaalsContact CG1-OE2 3.25Å; I403-E499 WeakPolarHBondContact CG1-OE2 3.43Å; I403-E499 PolarHBondContact N-OE1 3.26Å; T495-E499 PolarHBondContact O-N 3.48Å; I496-E499 PolarHBondContact O-N 2.98Å; E499-K501 PolarHBondContact O-N 3.3Å; E499-K501 VanDerWaalsContact O-N 3.13Å; E499-K502 PolarHBondContact O-N 2.95Å; E499-F504 HydrophobicContact CB-CE2 3.95Å; E499-F504 HydrophobicContact CB-CZ 4.07Å; E499-F504 VanDerWaalsContact OE2-CZ 3.31Å; E499-F504 WeakPolarHBondContact OE2-CZ 3.37Å
500S85.5Confident84.9Confident79 Ų7983.7 Ų83.755%0.55243%0.43SS*.Hα-helixtrans-63.1-20.5178.868.50000113.6I496 Y497 K502I496-S500 WeakPolarHBondContact O-CB 3.22Å; I496-S500 PolarHBondContact O-N 3.05Å; I496-S500 PolarHBondContact O-OG 3.36Å; Y497-S500 PolarHBondContact O-OG 3.18Å; S500-K502 PolarHBondContact O-N 2.98Å
501K85.1Confident84.4Confident141 Ų14184.4 Ų84.461%0.61343%0.427SS*.THydrogen-bonded Turntrans-74.6-6.3172.8-67.4-173.8-179.1-173.20114.2Y497 E499Y497-K501 VanDerWaalsContact CE1-CE 3.45Å; Y497-K501 VanDerWaalsContact CZ-NZ 3.32Å; Y497-K501 WeakPolarHBondContact OH-CE 2.95Å; Y497-K501 PolarHBondContact OH-NZ 3.44Å; E499-K501 PolarHBondContact O-N 3.3Å; E499-K501 VanDerWaalsContact O-N 3.13Å
502K79.3Confident84.1Confident151 Ų15185.7 Ų85.766%0.65743%0.434SS*.SBendtrans-122.6145179.2-63.6-174.4179.5-172.30109.6E499 S500 F504E499-K502 PolarHBondContact O-N 2.95Å; S500-K502 PolarHBondContact O-N 2.98Å; K502-F504 PolarHBondContact O-N 3.38Å
503P70.6Confident83.9Confident122 Ų12287.7 Ų87.779%0.79244%0.442SS*.PPolyproline II helixtrans-61.5128.5174.624.3-31.6000110.2S505P503-S505 PolarHBondContact O-N 3.28Å
504F74.2Confident83.8Confident89 Ų8987.3 Ų87.339%0.3944%0.441SS..PPolyproline II helixtrans-70.6124.7170.2-96.3-99.7000108.6I403 E499 K502 K508 L512I403-F504 HydrophobicContact CD1-CZ 4.28Å; E499-F504 HydrophobicContact CB-CE2 3.95Å; E499-F504 HydrophobicContact CB-CZ 4.07Å; E499-F504 VanDerWaalsContact OE2-CZ 3.31Å; E499-F504 WeakPolarHBondContact OE2-CZ 3.37Å; K502-F504 PolarHBondContact O-N 3.38Å; F504-K508 HydrophobicContact CD1-CB 4.5Å; F504-L512 HydrophobicContact CE1-CD1 3.77Å
505S78Confident83.7Confident43 Ų4383 Ų8330%0.30142%0.422SS..PPolyproline II helixtrans-74.814317167.20000109.5P503 S507 K508 Q509P503-S505 PolarHBondContact O-N 3.28Å; S505-S507 PolarHBondContact O-N 2.93Å; S505-S507 PolarHBondContact OG-OG 2.97Å; S505-S507 VanDerWaalsContact OG-OG 3.05Å; S505-K508 WeakPolarHBondContact O-CB 3.47Å; S505-K508 PolarHBondContact O-N 3.17Å; S505-K508 WeakPolarHBondContact OG-CD 3.43Å; S505-K508 VanDerWaalsContact OG-CG 3.31Å; S505-K508 WeakPolarHBondContact OG-CG 3.35Å; S505-Q509 PolarHBondContact O-N 3.39Å
506E78.4Confident83.9Confident162 Ų16286.4 Ų86.476%0.75744%0.443SS*.Hα-helixtrans-52.9-41.4179.1-67.7-174.5160.100112K508 Q509 T510E506-K508 VanDerWaalsContact C-N 3.29Å; E506-K508 PolarHBondContact O-N 3.36Å; E506-Q509 WeakPolarHBondContact O-CB 3.22Å; E506-Q509 PolarHBondContact O-N 2.85Å; E506-Q509 VanDerWaalsContact O-N 3.09Å; E506-T510 PolarHBondContact O-N 3.12Å; E506-T510 PolarHBondContact O-OG1 3.12Å; E506-T510 VanDerWaalsContact O-OG1 3.12Å
507S77.5Confident84.2Confident73 Ų7386.8 Ų86.851%0.5145%0.445SS..Hα-helixtrans-56.5-37176.2570000114.2S505 V511S505-S507 PolarHBondContact O-N 2.93Å; S505-S507 PolarHBondContact OG-OG 2.97Å; S505-S507 VanDerWaalsContact OG-OG 3.05Å; S507-V511 VanDerWaalsContact O-CG2 3.31Å; S507-V511 WeakPolarHBondContact O-CG2 3.25Å; S507-V511 PolarHBondContact O-N 3.17Å
508K77.1Confident84.3Confident71 Ų7185.2 Ų85.231%0.30945%0.445SS..Hα-helixtrans-73.1-38.7177.5-73.5169.7-174.8164.30111.2Y43 F504 S505 E506 V511 L512Y43-K508 WeakPolarHBondContact OH-CG 3.32Å; F504-K508 HydrophobicContact CD1-CB 4.5Å; S505-K508 WeakPolarHBondContact O-CB 3.47Å; S505-K508 PolarHBondContact O-N 3.17Å; S505-K508 WeakPolarHBondContact OG-CD 3.43Å; S505-K508 VanDerWaalsContact OG-CG 3.31Å; S505-K508 WeakPolarHBondContact OG-CG 3.35Å; E506-K508 VanDerWaalsContact C-N 3.29Å; E506-K508 PolarHBondContact O-N 3.36Å; K508-V511 PolarHBondContact O-N 2.91Å; K508-L512 WeakPolarHBondContact O-CB 3.42Å; K508-L512 WeakPolarHBondContact O-CG 3.12Å; K508-L512 PolarHBondContact O-N 3.11Å
509Q83.2Confident84.5Confident107 Ų10782.4 Ų82.450%0.543%0.432SS..Hα-helixtrans-63.3-45.5178-173.6176-3.500110.7S505 E506 V511 L512 I513S505-Q509 PolarHBondContact O-N 3.39Å; E506-Q509 WeakPolarHBondContact O-CB 3.22Å; E506-Q509 PolarHBondContact O-N 2.85Å; E506-Q509 VanDerWaalsContact O-N 3.09Å; Q509-V511 PolarHBondContact O-N 3.32Å; Q509-L512 PolarHBondContact O-N 2.92Å; Q509-I513 HydrophobicContact CG-CD1 3.94Å; Q509-I513 VanDerWaalsContact O-CG1 3.27Å; Q509-I513 WeakPolarHBondContact O-CG1 3.23Å; Q509-I513 PolarHBondContact O-N 3.21Å
510T84.6Confident84.9Confident77 Ų7783 Ų8347%0.47244%0.443SS..Hα-helixtrans-58-47.3175.9-53.10000111.9E506 L512 I513 I514E506-T510 PolarHBondContact O-N 3.12Å; E506-T510 PolarHBondContact O-OG1 3.12Å; E506-T510 VanDerWaalsContact O-OG1 3.12Å; T510-L512 PolarHBondContact O-N 3.5Å; T510-I513 PolarHBondContact O-N 2.95Å; T510-I514 HydrophobicContact CG2-CD1 3.85Å; T510-I514 VanDerWaalsContact O-CG1 3.32Å; T510-I514 WeakPolarHBondContact O-CG1 3.37Å; T510-I514 PolarHBondContact O-N 3.23Å
511V84.8Confident85.3Confident45 Ų4582.8 Ų82.827%0.27344%0.441SS..Hα-helixtrans-64.1-41.1180171.10000111.9W404 S507 K508 Q509 I514 G515W404-V511 HydrophobicContact CD2-CG1 3.88Å; W404-V511 HydrophobicContact CE3-CG1 3.55Å; W404-V511 HydrophobicContact CH2-CG1 3.57Å; W404-V511 HydrophobicContact CZ2-CG1 3.9Å; W404-V511 HydrophobicContact CZ3-CG1 3.4Å; W404-V511 VanDerWaalsContact CZ3-CG1 3.4Å; S507-V511 VanDerWaalsContact O-CG2 3.31Å; S507-V511 WeakPolarHBondContact O-CG2 3.25Å; S507-V511 PolarHBondContact O-N 3.17Å; K508-V511 PolarHBondContact O-N 2.91Å; Q509-V511 PolarHBondContact O-N 3.32Å; V511-I514 PolarHBondContact O-N 3.21Å; V511-G515 PolarHBondContact O-N 3.24Å
512L87.1Confident85.7Confident28 Ų2876.9 Ų76.915%0.14742%0.415CS..Hα-helixtrans-63.3-43175.8-76.7170.3000112.2I403 W404 L407 F504 K508 Q509 T510 T516I403-L512 HydrophobicContact CB-CD2 4.4Å; I403-L512 HydrophobicContact CG2-CD2 3.84Å; W404-L512 HydrophobicContact CB-CD2 4.14Å; W404-L512 HydrophobicContact CE3-CD2 4.27Å; L407-L512 HydrophobicContact CD2-CD2 4.05Å; F504-L512 HydrophobicContact CE1-CD1 3.77Å; K508-L512 WeakPolarHBondContact O-CB 3.42Å; K508-L512 WeakPolarHBondContact O-CG 3.12Å; K508-L512 PolarHBondContact O-N 3.11Å; Q509-L512 PolarHBondContact O-N 2.92Å; T510-L512 PolarHBondContact O-N 3.5Å; L512-T516 VanDerWaalsContact O-CB 3.29Å; L512-T516 WeakPolarHBondContact O-CB 3.47Å; L512-T516 PolarHBondContact O-N 2.98Å; L512-T516 PolarHBondContact O-OG1 2.89Å
513I89.6Confident86.3Confident88 Ų8872 Ų7245%0.45139%0.392SS..Hα-helixtrans-62-51.6177.5-69.8166.4000109.9Q509 T510 G515 T516 I517Q509-I513 HydrophobicContact CG-CD1 3.94Å; Q509-I513 VanDerWaalsContact O-CG1 3.27Å; Q509-I513 WeakPolarHBondContact O-CG1 3.23Å; Q509-I513 PolarHBondContact O-N 3.21Å; T510-I513 PolarHBondContact O-N 2.95Å; I513-G515 PolarHBondContact O-N 3.45Å; I513-T516 PolarHBondContact O-N 2.92Å; I513-I517 HydrophobicContact CG2-CD1 3.72Å; I513-I517 HydrophobicContact CG2-CG1 4.46Å; I513-I517 VanDerWaalsContact O-CG1 3.31Å; I513-I517 WeakPolarHBondContact O-CG1 3.29Å; I513-I517 PolarHBondContact O-N 3.36Å
514I90.5Very high87.4Confident92 Ų9270.8 Ų70.847%0.47238%0.382SS..Hα-helixtrans-59.2-49.2-179.9-67169.3000110.7T510 V511 T516 I517 L518T510-I514 HydrophobicContact CG2-CD1 3.85Å; T510-I514 VanDerWaalsContact O-CG1 3.32Å; T510-I514 WeakPolarHBondContact O-CG1 3.37Å; T510-I514 PolarHBondContact O-N 3.23Å; V511-I514 PolarHBondContact O-N 3.21Å; I514-T516 VanDerWaalsContact C-N 3.29Å; I514-T516 PolarHBondContact O-N 3.21Å; I514-I517 PolarHBondContact O-N 3.47Å; I514-L518 HydrophobicContact CG2-CD1 4.07Å; I514-L518 HydrophobicContact CG2-CG 4.44Å; I514-L518 WeakPolarHBondContact O-CG 3.32Å; I514-L518 PolarHBondContact O-N 2.96Å
515G90.4Very high88.3Confident3 Ų371.4 Ų71.43%0.03139%0.387CS..Hα-helixtrans-61.5-37.6179.700000112.7V511 I513 L518 Y519V511-G515 PolarHBondContact O-N 3.24Å; I513-G515 PolarHBondContact O-N 3.45Å; G515-L518 PolarHBondContact O-N 2.92Å; G515-Y519 WeakPolarHBondContact O-CB 3.37Å; G515-Y519 PolarHBondContact O-N 3.26Å
516T93.1Very high89Confident75 Ų7569.4 Ų69.446%0.4637%0.373SS..Hα-helixtrans-68.9-41.7178-57.20000111.1L512 I513 I514 Y519 A520L512-T516 VanDerWaalsContact O-CB 3.29Å; L512-T516 WeakPolarHBondContact O-CB 3.47Å; L512-T516 PolarHBondContact O-N 2.98Å; L512-T516 PolarHBondContact O-OG1 2.89Å; I513-T516 PolarHBondContact O-N 2.92Å; I514-T516 VanDerWaalsContact C-N 3.29Å; I514-T516 PolarHBondContact O-N 3.21Å; T516-Y519 PolarHBondContact O-N 2.73Å; T516-A520 WeakPolarHBondContact O-CB 3.31Å; T516-A520 PolarHBondContact O-N 2.91Å
517I94.7Very high89.6Confident93 Ų9365.3 Ų65.348%0.47736%0.356SS..Hα-helixtrans-60.4-48.8174.4-69.1168.1000110I513 I514 Y519 A520 C521I513-I517 HydrophobicContact CG2-CD1 3.72Å; I513-I517 HydrophobicContact CG2-CG1 4.46Å; I513-I517 VanDerWaalsContact O-CG1 3.31Å; I513-I517 WeakPolarHBondContact O-CG1 3.29Å; I513-I517 PolarHBondContact O-N 3.36Å; I514-I517 PolarHBondContact O-N 3.47Å; I517-Y519 VanDerWaalsContact C-N 3.34Å; I517-Y519 PolarHBondContact O-N 3.29Å; I517-A520 PolarHBondContact O-N 2.88Å; I517-C521 WeakPolarHBondContact O-CB 3.34Å; I517-C521 PolarHBondContact O-N 3.36Å; I517-C521 PolarHBondContact O-SG 3.25Å
518L92.9Very high90.3Very high102 Ų10265.6 Ų65.653%0.53436%0.355SS..Hα-helixtrans-58.2-46.3177.9-72.1173.7000111.9L411 I514 G515 A520 C521 Y522L411-L518 HydrophobicContact CD2-CB 4.31Å; I514-L518 HydrophobicContact CG2-CD1 4.07Å; I514-L518 HydrophobicContact CG2-CG 4.44Å; I514-L518 WeakPolarHBondContact O-CG 3.32Å; I514-L518 PolarHBondContact O-N 2.96Å; G515-L518 PolarHBondContact O-N 2.92Å; L518-A520 PolarHBondContact O-N 3Å; L518-C521 PolarHBondContact O-N 3.21Å; L518-Y522 PolarHBondContact O-N 3.08Å
519Y92.3Very high90.9Very high56 Ų5665.3 Ų65.322%0.2236%0.357CS..Hα-helixtrans-60-45177.3-174-98.2000111.5L410 L411 Q414 G515 T516 I517 W523L410-Y519 HydrophobicContact CB-CD2 4.04Å; L410-Y519 HydrophobicContact CB-CE2 3.56Å; L410-Y519 HydrophobicContact CD1-CE2 4.34Å; L410-Y519 HydrophobicContact CG-CE2 4.41Å; L411-Y519 HydrophobicContact CD2-CD2 4.23Å; Q414-Y519 HydrophobicContact CG-CD2 4.44Å; Q414-Y519 HydrophobicContact CG-CE2 4.11Å; G515-Y519 WeakPolarHBondContact O-CB 3.37Å; G515-Y519 PolarHBondContact O-N 3.26Å; T516-Y519 PolarHBondContact O-N 2.73Å; I517-Y519 VanDerWaalsContact C-N 3.34Å; I517-Y519 PolarHBondContact O-N 3.29Å; Y519-W523 AromaticContact CD1-CD1 3.87Å; Y519-W523 AromaticContact CE1-CD1 3.55Å; Y519-W523 AromaticContact CE1-NE1 3.33Å; Y519-W523 VanDerWaalsContact CE1-NE1 3.33Å; Y519-W523 AromaticContact CE2-NE1 3.75Å; Y519-W523 AromaticContact CZ-CD1 3.81Å; Y519-W523 AromaticContact CZ-NE1 3.13Å; Y519-W523 PolarHBondContact O-N 2.97Å; Y519-W523 PolarHBondContact OH-NE1 3Å; Y519-W523 VanDerWaalsContact OH-NE1 3.11Å
520A93.8Very high91.2Very high46 Ų4661.3 Ų61.338%0.3834%0.337SS..Hα-helixtrans-67.7-44.8178.700000112.3T516 I517 L518 Y522 W523 V524T516-A520 WeakPolarHBondContact O-CB 3.31Å; T516-A520 PolarHBondContact O-N 2.91Å; I517-A520 PolarHBondContact O-N 2.88Å; L518-A520 PolarHBondContact O-N 3Å; A520-Y522 VanDerWaalsContact C-N 3.31Å; A520-Y522 PolarHBondContact O-N 2.99Å; A520-W523 PolarHBondContact O-N 3.47Å; A520-W523 VanDerWaalsContact O-N 3.1Å; A520-V524 WeakPolarHBondContact O-CG2 3.31Å; A520-V524 PolarHBondContact O-N 2.93Å
521C94.3Very high91.3Very high75 Ų7563.2 Ų63.251%0.50734%0.339SS..Hα-helixtrans-58.2-42.5177.7-74.60000111.8I517 L518 W523 V524 M525I517-C521 WeakPolarHBondContact O-CB 3.34Å; I517-C521 PolarHBondContact O-N 3.36Å; I517-C521 PolarHBondContact O-SG 3.25Å; L518-C521 PolarHBondContact O-N 3.21Å; C521-W523 VanDerWaalsContact C-N 3.33Å; C521-W523 PolarHBondContact O-N 3.49Å; C521-V524 PolarHBondContact O-N 3.23Å; C521-M525 WeakPolarHBondContact O-CB 3.33Å; C521-M525 PolarHBondContact O-N 3.05Å
522Y93.1Very high91.3Very high17 Ų1764.3 Ų64.37%0.06735%0.346CS..Hα-helixtrans-55-48.5173.6164.5-88.1000111.8Q414 L418 S437 L438 L518 A520 M525 L526Q414-Y522 HydrophobicContact CB-CE1 4.48Å; Q414-Y522 HydrophobicContact CB-CE2 4.41Å; Q414-Y522 VanDerWaalsContact CD-CD1 3.45Å; Q414-Y522 HydrophobicContact CG-CD1 4.09Å; Q414-Y522 HydrophobicContact CG-CE1 3.78Å; Q414-Y522 VanDerWaalsContact NE2-CE1 3.33Å; L418-Y522 HydrophobicContact CD1-CD2 3.92Å; L418-Y522 HydrophobicContact CD1-CE2 3.73Å; L418-Y522 HydrophobicContact CD2-CE2 3.87Å; L418-Y522 HydrophobicContact CG-CD2 4.42Å; L418-Y522 HydrophobicContact CG-CE2 3.75Å; S437-Y522 WeakPolarHBondContact CB-OH 3.42Å; S437-Y522 PolarHBondContact O-OH 3.32Å; S437-Y522 PolarHBondContact OG-OH 3.43Å; S437-Y522 VanDerWaalsContact OG-OH 3.11Å; L438-Y522 HydrophobicContact CD2-CE1 4.47Å; L518-Y522 PolarHBondContact O-N 3.08Å; A520-Y522 VanDerWaalsContact C-N 3.31Å; A520-Y522 PolarHBondContact O-N 2.99Å; Y522-M525 PolarHBondContact O-N 3.43Å; Y522-L526 HydrophobicContact CD1-CD1 4.41Å; Y522-L526 HydrophobicContact CD2-CD1 3.95Å; Y522-L526 HydrophobicContact CE1-CD1 3.82Å; Y522-L526 HydrophobicContact CE2-CD1 3.27Å; Y522-L526 HydrophobicContact CE2-CG 4.25Å; Y522-L526 HydrophobicContact CG-CD1 4.49Å; Y522-L526 PolarHBondContact O-N 3.48Å; Y522-L526 WeakPolarHBondContact OH-CD1 3.34Å
523W92.7Very high91Very high49 Ų4966.7 Ų66.719%0.18636%0.358CS..Hα-helixtrans-66.6-47.7-178.2-82.9113.7000112.3L438 V441 Y519 A520 C521 M525 L526 L527L438-W523 HydrophobicContact CD2-CE3 3.87Å; L438-W523 HydrophobicContact CD2-CH2 4.25Å; L438-W523 HydrophobicContact CD2-CZ3 3.49Å; L438-W523 VanDerWaalsContact CD2-CZ3 3.49Å; V441-W523 HydrophobicContact CB-CH2 3.84Å; V441-W523 HydrophobicContact CB-CZ2 4.14Å; V441-W523 HydrophobicContact CG1-CH2 3.92Å; V441-W523 HydrophobicContact CG1-CZ2 4.17Å; V441-W523 HydrophobicContact CG2-CH2 3.38Å; V441-W523 HydrophobicContact CG2-CZ2 3.27Å; Y519-W523 AromaticContact CD1-CD1 3.87Å; Y519-W523 AromaticContact CE1-CD1 3.55Å; Y519-W523 AromaticContact CE1-NE1 3.33Å; Y519-W523 VanDerWaalsContact CE1-NE1 3.33Å; Y519-W523 AromaticContact CE2-NE1 3.75Å; Y519-W523 AromaticContact CZ-CD1 3.81Å; Y519-W523 AromaticContact CZ-NE1 3.13Å; Y519-W523 PolarHBondContact O-N 2.97Å; Y519-W523 PolarHBondContact OH-NE1 3Å; Y519-W523 VanDerWaalsContact OH-NE1 3.11Å; A520-W523 PolarHBondContact O-N 3.47Å; A520-W523 VanDerWaalsContact O-N 3.1Å; C521-W523 VanDerWaalsContact C-N 3.33Å; C521-W523 PolarHBondContact O-N 3.49Å; W523-M525 VanDerWaalsContact C-N 3.33Å; W523-M525 PolarHBondContact O-N 2.84Å; W523-L526 PolarHBondContact O-N 3.41Å; W523-L527 HydrophobicContact CE3-CD1 4.12Å; W523-L527 HydrophobicContact CE3-CG 4.25Å; W523-L527 VanDerWaalsContact O-CB 3.23Å; W523-L527 WeakPolarHBondContact O-CB 3.38Å; W523-L527 VanDerWaalsContact O-CG 3.22Å; W523-L527 WeakPolarHBondContact O-CG 3.36Å; W523-L527 PolarHBondContact O-N 3.19Å
524V94Very high90.6Very high95 Ų9563 Ų6358%0.57634%0.339SS*.Hα-helixtrans-57-50.7176.7172.70000109.4A520 C521 L526 L527 T528A520-V524 WeakPolarHBondContact O-CG2 3.31Å; A520-V524 PolarHBondContact O-N 2.93Å; C521-V524 PolarHBondContact O-N 3.23Å; V524-L526 PolarHBondContact O-N 2.96Å; V524-L527 PolarHBondContact O-N 3.12Å; V524-T528 VanDerWaalsContact O-CB 3.26Å; V524-T528 WeakPolarHBondContact O-CB 3.39Å; V524-T528 PolarHBondContact O-N 2.97Å; V524-T528 PolarHBondContact O-OG1 3.32Å
525M93.6Very high89.9Confident102 Ų10260 Ų6050%0.50233%0.325SS..Hα-helixtrans-58-52.3-179.9-177.2-172.968.100112.3C521 Y522 W523 T528 L529C521-M525 WeakPolarHBondContact O-CB 3.33Å; C521-M525 PolarHBondContact O-N 3.05Å; Y522-M525 PolarHBondContact O-N 3.43Å; W523-M525 VanDerWaalsContact C-N 3.33Å; W523-M525 PolarHBondContact O-N 2.84Å; M525-T528 PolarHBondContact O-N 3.25Å; M525-L529 HydrophobicContact CG-CD1 4.06Å; M525-L529 WeakPolarHBondContact O-CB 3.38Å; M525-L529 VanDerWaalsContact O-CG 3.28Å; M525-L529 WeakPolarHBondContact O-CG 3.31Å; M525-L529 PolarHBondContact O-N 2.99Å
526L91.9Very high88.8Confident1 Ų166.2 Ų66.21%0.00535%0.351CS..Hα-helixtrans-71-35.4-176.6-74.8-177.8000113.4V434 S437 L438 Y522 W523 V524 L529 Y530V434-L526 HydrophobicContact CG2-CD2 4.41Å; S437-L526 VanDerWaalsContact OG-CD1 3.27Å; S437-L526 WeakPolarHBondContact OG-CD1 3.29Å; L438-L526 HydrophobicContact CD1-CB 4.35Å; L438-L526 HydrophobicContact CD2-CB 3.89Å; L438-L526 HydrophobicContact CD2-CD1 3.73Å; L438-L526 HydrophobicContact CG-CB 4.39Å; L438-L526 HydrophobicContact CG-CD1 3.96Å; Y522-L526 HydrophobicContact CD1-CD1 4.41Å; Y522-L526 HydrophobicContact CD2-CD1 3.95Å; Y522-L526 HydrophobicContact CE1-CD1 3.82Å; Y522-L526 HydrophobicContact CE2-CD1 3.27Å; Y522-L526 HydrophobicContact CE2-CG 4.25Å; Y522-L526 HydrophobicContact CG-CD1 4.49Å; Y522-L526 PolarHBondContact O-N 3.48Å; Y522-L526 WeakPolarHBondContact OH-CD1 3.34Å; W523-L526 PolarHBondContact O-N 3.41Å; V524-L526 PolarHBondContact O-N 2.96Å; L526-L529 HydrophobicContact CD2-CD1 4.26Å; L526-L529 PolarHBondContact O-N 3.47Å; L526-Y530 WeakPolarHBondContact O-CB 3.32Å; L526-Y530 PolarHBondContact O-N 3.27Å
527L91.1Very high87.4Confident76 Ų7665.9 Ų65.940%0.39835%0.351SS..Hα-helixtrans-68.3-40.9175.2-71169.3000111.1W251 W523 V524 Y530 F531W251-L527 HydrophobicContact CH2-CD2 3.43Å; W251-L527 VanDerWaalsContact CH2-CD2 3.43Å; W251-L527 HydrophobicContact CZ2-CD2 4.2Å; W251-L527 HydrophobicContact CZ3-CD2 3.71Å; W523-L527 HydrophobicContact CE3-CD1 4.12Å; W523-L527 HydrophobicContact CE3-CG 4.25Å; W523-L527 VanDerWaalsContact O-CB 3.23Å; W523-L527 WeakPolarHBondContact O-CB 3.38Å; W523-L527 VanDerWaalsContact O-CG 3.22Å; W523-L527 WeakPolarHBondContact O-CG 3.36Å; W523-L527 PolarHBondContact O-N 3.19Å; V524-L527 PolarHBondContact O-N 3.12Å; L527-Y530 PolarHBondContact O-N 3.43Å; L527-F531 WeakPolarHBondContact O-CB 3.21Å; L527-F531 PolarHBondContact O-N 3.31Å
528T91.3Very high85.9Confident79 Ų7961.5 Ų61.549%0.48533%0.329SS..Hα-helixtrans-61.4-46.8172.5-620000110.8V524 M525 Y530 F531 V532V524-T528 VanDerWaalsContact O-CB 3.26Å; V524-T528 WeakPolarHBondContact O-CB 3.39Å; V524-T528 PolarHBondContact O-N 2.97Å; V524-T528 PolarHBondContact O-OG1 3.32Å; M525-T528 PolarHBondContact O-N 3.25Å; T528-Y530 VanDerWaalsContact C-N 3.34Å; T528-Y530 PolarHBondContact O-N 2.97Å; T528-F531 PolarHBondContact O-N 2.96Å; T528-V532 HydrophobicContact CG2-CG2 4.29Å; T528-V532 WeakPolarHBondContact O-CB 3.35Å; T528-V532 VanDerWaalsContact O-CG2 3.29Å; T528-V532 WeakPolarHBondContact O-CG2 3.4Å; T528-V532 PolarHBondContact O-N 3.09Å
529L90.2Very high84.4Confident66 Ų6665.5 Ų65.535%0.34634%0.337SS..Hα-helixtrans-60.2-42.2176.2-76.7170.9000112.1F435 M525 L526 L533F435-L529 HydrophobicContact CE1-CB 3.98Å; F435-L529 HydrophobicContact CZ-CB 4.01Å; M525-L529 HydrophobicContact CG-CD1 4.06Å; M525-L529 WeakPolarHBondContact O-CB 3.38Å; M525-L529 VanDerWaalsContact O-CG 3.28Å; M525-L529 WeakPolarHBondContact O-CG 3.31Å; M525-L529 PolarHBondContact O-N 2.99Å; L526-L529 HydrophobicContact CD2-CD1 4.26Å; L526-L529 PolarHBondContact O-N 3.47Å; L529-L533 HydrophobicContact CD2-CD1 4.14Å; L529-L533 VanDerWaalsContact O-CB 3.23Å; L529-L533 WeakPolarHBondContact O-CB 3.08Å; L529-L533 WeakPolarHBondContact O-CG 3.21Å; L529-L533 PolarHBondContact O-N 3.44Å
530Y88.9Confident82.8Confident23 Ų2371.9 Ų71.99%0.0936%0.361CS..Hα-helixtrans-61.8-47.6175.8170-91.2000110.9W251 F254 L526 L527 T528 V532 I534 T535W251-Y530 WeakPolarHBondContact CA-OH 3.44Å; W251-Y530 HydrophobicContact CD2-CE1 4.5Å; W251-Y530 HydrophobicContact CD2-CE2 4.46Å; W251-Y530 AromaticContact CE3-CD1 3.43Å; W251-Y530 HydrophobicContact CE3-CD1 3.43Å; W251-Y530 VanDerWaalsContact CE3-CD1 3.43Å; W251-Y530 AromaticContact CE3-CD2 3.71Å; W251-Y530 HydrophobicContact CE3-CD2 3.71Å; W251-Y530 AromaticContact CE3-CE1 3.33Å; W251-Y530 HydrophobicContact CE3-CE1 3.33Å; W251-Y530 AromaticContact CE3-CE2 3.59Å; W251-Y530 HydrophobicContact CE3-CE2 3.59Å; W251-Y530 AromaticContact CE3-CG 3.62Å; W251-Y530 HydrophobicContact CE3-CG 3.62Å; W251-Y530 AromaticContact CE3-CZ 3.4Å; W251-Y530 VanDerWaalsContact CE3-CZ 3.4Å; W251-Y530 HydrophobicContact CH2-CG 4.28Å; W251-Y530 AromaticContact CZ3-CD1 3.32Å; W251-Y530 HydrophobicContact CZ3-CD1 3.32Å; W251-Y530 AromaticContact CZ3-CD2 3.56Å; W251-Y530 HydrophobicContact CZ3-CD2 3.56Å; W251-Y530 AromaticContact CZ3-CE1 3.78Å; W251-Y530 HydrophobicContact CZ3-CE1 3.78Å; W251-Y530 AromaticContact CZ3-CE2 3.98Å; W251-Y530 HydrophobicContact CZ3-CE2 3.98Å; W251-Y530 AromaticContact CZ3-CG 3.2Å; W251-Y530 HydrophobicContact CZ3-CG 3.2Å; W251-Y530 PolarHBondContact N-OH 2.93Å; F254-Y530 HydrophobicContact CB-CE2 4.11Å; F254-Y530 AromaticContact CD1-CD2 3.78Å; F254-Y530 HydrophobicContact CD1-CD2 3.78Å; F254-Y530 AromaticContact CD1-CE2 3.44Å; F254-Y530 HydrophobicContact CD1-CE2 3.44Å; F254-Y530 VanDerWaalsContact CD1-CE2 3.44Å; F254-Y530 AromaticContact CE1-CD2 3.84Å; F254-Y530 HydrophobicContact CE1-CD2 3.84Å; F254-Y530 AromaticContact CE1-CE2 3.96Å; F254-Y530 HydrophobicContact CE1-CE2 3.96Å; F254-Y530 HydrophobicContact CG-CD2 4.49Å; F254-Y530 AromaticContact CG-CE2 3.8Å; F254-Y530 HydrophobicContact CG-CE2 3.8Å; L526-Y530 WeakPolarHBondContact O-CB 3.32Å; L526-Y530 PolarHBondContact O-N 3.27Å; L527-Y530 PolarHBondContact O-N 3.43Å; T528-Y530 VanDerWaalsContact C-N 3.34Å; T528-Y530 PolarHBondContact O-N 2.97Å; Y530-V532 PolarHBondContact O-N 3.25Å; Y530-I534 HydrophobicContact CD2-CB 3.77Å; Y530-I534 HydrophobicContact CD2-CG1 3.85Å; Y530-I534 HydrophobicContact CD2-CG2 4.1Å; Y530-I534 HydrophobicContact CE2-CB 3.81Å; Y530-I534 HydrophobicContact CE2-CG1 4.26Å; Y530-I534 HydrophobicContact CE2-CG2 3.63Å; Y530-I534 HydrophobicContact CG-CB 4.35Å; Y530-I534 WeakPolarHBondContact O-CA 3.31Å; Y530-I534 VanDerWaalsContact O-CB 3.22Å; Y530-I534 WeakPolarHBondContact O-CB 3.46Å; Y530-I534 PolarHBondContact O-N 3.27Å; Y530-T535 HydrophobicContact CD1-CG2 3.98Å; Y530-T535 HydrophobicContact CE1-CG2 3.31Å; Y530-T535 PolarHBondContact O-N 2.7Å
531F87.1Confident81.1Confident116 Ų11675.5 Ų75.551%0.50937%0.368SS..Iπ-helixtrans-62.4-46-178.7-167.9-98.9000111L527 T528 T535 K536L527-F531 WeakPolarHBondContact O-CB 3.21Å; L527-F531 PolarHBondContact O-N 3.31Å; T528-F531 PolarHBondContact O-N 2.96Å; F531-T535 WeakPolarHBondContact CA-OG1 3.25Å; F531-T535 HydrophobicContact CD2-CG2 4.2Å; F531-T535 VanDerWaalsContact CD2-OG1 3.28Å; F531-T535 WeakPolarHBondContact CD2-OG1 3.32Å; F531-T535 PolarHBondContact O-N 3.4Å; F531-T535 PolarHBondContact O-OG1 3.47Å; F531-K536 PolarHBondContact O-N 3.39Å
532V85.2Confident79.4Confident69 Ų6975.4 Ų75.442%0.41836%0.359SS..Iπ-helixtrans-66.8-52.4179.7174.50000111.9T528 Y530 K536T528-V532 HydrophobicContact CG2-CG2 4.29Å; T528-V532 WeakPolarHBondContact O-CB 3.35Å; T528-V532 VanDerWaalsContact O-CG2 3.29Å; T528-V532 WeakPolarHBondContact O-CG2 3.4Å; T528-V532 PolarHBondContact O-N 3.09Å; Y530-V532 PolarHBondContact O-N 3.25Å; V532-K536 WeakPolarHBondContact O-CB 2.98Å
533L81.6Confident77.4Confident77 Ų7781.7 Ų81.740%0.40339%0.389SS..Iπ-helixtrans-83.6-34.6-171-62.2176.3000113.3F435 L529 C537F435-L533 HydrophobicContact CZ-CD1 4.35Å; L529-L533 HydrophobicContact CD2-CD1 4.14Å; L529-L533 VanDerWaalsContact O-CB 3.23Å; L529-L533 WeakPolarHBondContact O-CB 3.08Å; L529-L533 WeakPolarHBondContact O-CG 3.21Å; L529-L533 PolarHBondContact O-N 3.44Å; L533-C537 VanDerWaalsContact O-CB 3.31Å; L533-C537 WeakPolarHBondContact O-CB 3.37Å
534I81.2Confident75.2Confident10 Ų1085 Ų855%0.05141%0.406CS..Iπ-helixtrans-102.5-48.5-170.8-53.3-56.4000110.9Y248 F254 F435 Y530 G538Y248-I534 HydrophobicContact CD1-CG2 3.82Å; Y248-I534 HydrophobicContact CE1-CG2 4.14Å; F254-I534 HydrophobicContact CD2-CG2 3.64Å; F254-I534 HydrophobicContact CE1-CG1 4.15Å; F254-I534 HydrophobicContact CE2-CB 4.45Å; F254-I534 HydrophobicContact CE2-CD1 3.57Å; F254-I534 HydrophobicContact CE2-CG1 3.82Å; F254-I534 HydrophobicContact CE2-CG2 3.76Å; F254-I534 HydrophobicContact CG-CG2 4.06Å; F254-I534 HydrophobicContact CZ-CD1 3.61Å; F254-I534 HydrophobicContact CZ-CG1 3.61Å; F254-I534 HydrophobicContact CZ-CG2 4.26Å; F435-I534 HydrophobicContact CD2-CG1 4.46Å; F435-I534 HydrophobicContact CE2-CD1 4.06Å; F435-I534 HydrophobicContact CE2-CG1 3.89Å; F435-I534 HydrophobicContact CZ-CG1 4.21Å; Y530-I534 HydrophobicContact CD2-CB 3.77Å; Y530-I534 HydrophobicContact CD2-CG1 3.85Å; Y530-I534 HydrophobicContact CD2-CG2 4.1Å; Y530-I534 HydrophobicContact CE2-CB 3.81Å; Y530-I534 HydrophobicContact CE2-CG1 4.26Å; Y530-I534 HydrophobicContact CE2-CG2 3.63Å; Y530-I534 HydrophobicContact CG-CB 4.35Å; Y530-I534 WeakPolarHBondContact O-CA 3.31Å; Y530-I534 VanDerWaalsContact O-CB 3.22Å; Y530-I534 WeakPolarHBondContact O-CB 3.46Å; Y530-I534 PolarHBondContact O-N 3.27Å; I534-G538 WeakPolarHBondContact O-CA 3.44Å; I534-G538 PolarHBondContact O-N 3.27Å
535T74.7Confident73Confident30 Ų3083.4 Ų83.418%0.18439%0.393CS..Iπ-helixtrans-75.5-39-177.772.30000112.9Y530 F531 R539Y530-T535 HydrophobicContact CD1-CG2 3.98Å; Y530-T535 HydrophobicContact CE1-CG2 3.31Å; Y530-T535 PolarHBondContact O-N 2.7Å; F531-T535 WeakPolarHBondContact CA-OG1 3.25Å; F531-T535 HydrophobicContact CD2-CG2 4.2Å; F531-T535 VanDerWaalsContact CD2-OG1 3.28Å; F531-T535 WeakPolarHBondContact CD2-OG1 3.32Å; F531-T535 PolarHBondContact O-N 3.4Å; F531-T535 PolarHBondContact O-OG1 3.47Å; T535-R539 WeakPolarHBondContact O-CB 3.27Å; T535-R539 WeakPolarHBondContact O-CD 3.26Å; T535-R539 WeakPolarHBondContact O-CG 3.41Å
536K68.4Low70.7Confident134 Ų13483.5 Ų83.558%0.58339%0.388SS*.Iπ-helixtrans-81.1-51.1178.5-70.4-173.6174-176.40112.9F531 V532F531-K536 PolarHBondContact O-N 3.39Å; V532-K536 WeakPolarHBondContact O-CB 2.98Å
537C62.8Low68.1Low67 Ų6790.1 Ų90.145%0.45342%0.424SS..Hα-helixtrans-79.9-28.9-178.7-52.80000113L533 R540 K541L533-C537 VanDerWaalsContact O-CB 3.31Å; L533-C537 WeakPolarHBondContact O-CB 3.37Å; C537-R540 PolarHBondContact O-N 3.43Å; C537-K541 PolarHBondContact O-N 2.91Å
538G63.7Low65.6Low2 Ų290.5 Ų90.52%0.02142%0.424CS..Hα-helixtrans-70.2-29.4175.900000113.4I534 K541 K542I534-G538 WeakPolarHBondContact O-CA 3.44Å; I534-G538 PolarHBondContact O-N 3.27Å; G538-K541 CarbonylContact O-C 3.44Å; G538-K541 PolarHBondContact O-N 2.94Å; G538-K542 WeakPolarHBondContact O-CB 3.45Å; G538-K542 PolarHBondContact O-N 3.27Å
539R60.7Low63.2Low185 Ų18590 Ų9070%0.69842%0.421SS*.Hα-helixtrans-61.4-43.8171.4-83.2177.9-176.8-173.60.8112.5T535 K541 K542 E543T535-R539 WeakPolarHBondContact O-CB 3.27Å; T535-R539 WeakPolarHBondContact O-CD 3.26Å; T535-R539 WeakPolarHBondContact O-CG 3.41Å; R539-K541 VanDerWaalsContact C-N 3.31Å; R539-K541 PolarHBondContact O-N 3.41Å; R539-K542 WeakPolarHBondContact O-CB 3.31Å; R539-K542 PolarHBondContact O-N 2.96Å; R539-K542 VanDerWaalsContact O-N 3.16Å; R539-E543 PolarHBondContact O-N 2.87Å
540R57.9Low60.9Low191 Ų19188.4 Ų88.472%0.72141%0.413SS*.Hα-helixtrans-61.6-38.1173.7-70.1-176.3178.6175.9-1.7112.5C537C537-R540 PolarHBondContact O-N 3.43Å
541K58.5Low58Low121 Ų12193.4 Ų93.453%0.52644%0.441SS..Hα-helixtrans-73.7-29.3175.2-72.6-172.2176.4-174.80112.9Y248 C537 G538 R539 E543 Q544 H545Y248-K541 HydrophobicContact CE2-CB 4.46Å; C537-K541 PolarHBondContact O-N 2.91Å; G538-K541 CarbonylContact O-C 3.44Å; G538-K541 PolarHBondContact O-N 2.94Å; R539-K541 VanDerWaalsContact C-N 3.31Å; R539-K541 PolarHBondContact O-N 3.41Å; K541-E543 VanDerWaalsContact C-N 3.29Å; K541-E543 PolarHBondContact O-N 2.95Å; K541-Q544 PolarHBondContact O-N 2.95Å; K541-H545 WeakPolarHBondContact O-CB 3.34Å; K541-H545 PolarHBondContact O-N 3.13Å
542K59Low55.3Low74 Ų7494.9 Ų94.932%0.32246%0.459SS..Hα-helixtrans-61.4-41.3175.3-173.4176171.9162.90110.3D249 G538 R539 Q544 Y546D249-K542 VanDerWaalsContact CG-NZ 3.27Å; D249-K542 VanDerWaalsContact OD1-CE 3.25Å; D249-K542 WeakPolarHBondContact OD1-CE 3.43Å; D249-K542 IonicContact OD1-NZ 3.74Å; D249-K542 PolarHBondContact OD1-NZ 3.43Å; D249-K542 IonicContact OD2-NZ 2.68Å; G538-K542 WeakPolarHBondContact O-CB 3.45Å; G538-K542 PolarHBondContact O-N 3.27Å; R539-K542 WeakPolarHBondContact O-CB 3.31Å; R539-K542 PolarHBondContact O-N 2.96Å; R539-K542 VanDerWaalsContact O-N 3.16Å; K542-Q544 VanDerWaalsContact C-N 3.34Å; K542-Q544 PolarHBondContact O-N 3.47Å; K542-Y546 HydrophobicContact CG-CD2 4.16Å; K542-Y546 HydrophobicContact CG-CE2 3.76Å; K542-Y546 WeakPolarHBondContact O-CD2 3.29Å
543E51.4Low53.8Low149 Ų14996.2 Ų96.270%0.69646%0.461SS*.Hα-helixtrans-62.7-39.4174.6-70.1166-177.300111.8R539 K541R539-E543 PolarHBondContact O-N 2.87Å; K541-E543 VanDerWaalsContact C-N 3.29Å; K541-E543 PolarHBondContact O-N 2.95Å
544Q46.9Very low52.4Low117 Ų11797.2 Ų97.255%0.54746%0.464SS..Hα-helixtrans-80.2-31.3179.9-66.7177.2-30.200115K541 K542 D547 M548K541-Q544 PolarHBondContact O-N 2.95Å; K542-Q544 VanDerWaalsContact C-N 3.34Å; K542-Q544 PolarHBondContact O-N 3.47Å; Q544-D547 PolarHBondContact O-N 2.92Å; Q544-M548 HydrophobicContact CB-CE 4.45Å; Q544-M548 PolarHBondContact O-N 3.48Å; Q544-M548 VanDerWaalsContact O-N 3.14Å
545H46.1Very low50.7Low63 Ų63102 Ų10229%0.29249%0.487SS..Hα-helixtrans-80-18.4-173.4-151.744.5000113K541 D547K541-H545 WeakPolarHBondContact O-CB 3.34Å; K541-H545 PolarHBondContact O-N 3.13Å; H545-D547 VanDerWaalsContact C-N 3.3Å
546Y45.6Very low49.3Very low103 Ų103106.2 Ų106.240%0.40451%0.505SS..THydrogen-bonded Turntrans-76.5-21.9170.8-81.6-110.7000111.8K101 K542K101-Y546 VanDerWaalsContact NZ-CD1 3.29Å; K542-Y546 HydrophobicContact CG-CD2 4.16Å; K542-Y546 HydrophobicContact CG-CE2 3.76Å; K542-Y546 WeakPolarHBondContact O-CD2 3.29Å
547D38.4Very low48.1Very low140 Ų140104.5 Ų104.575%0.74950%0.5SS*.THydrogen-bonded Turntrans-90.8-28.4175.5-72.6-24.4000113.2Q544 H545 V549Q544-D547 PolarHBondContact O-N 2.92Å; H545-D547 VanDerWaalsContact C-N 3.3Å; D547-V549 PolarHBondContact O-N 2.84Å
548M38Very low47.2Very low85 Ų85107 Ų10742%0.41950%0.503SS..  trans-93.597.9-179.5-64.3-169.4-53.700111.6Q544 L550 D551Q544-M548 HydrophobicContact CB-CE 4.45Å; Q544-M548 PolarHBondContact O-N 3.48Å; Q544-M548 VanDerWaalsContact O-N 3.14Å; M548-L550 PolarHBondContact O-N 3.02Å; M548-D551 VanDerWaalsContact SD-OD2 3.33Å
549V41.8Very low46Very low68 Ų68114.5 Ų114.541%0.41254%0.538SS..  trans-45.6107151.5170.70000107.8R108 D547 D551R108-V549 VanDerWaalsContact NE-CG1 3.34Å; D547-V549 PolarHBondContact O-N 2.84Å; V549-D551 PolarHBondContact O-N 3.39Å
550L40.4Very low44.9Very low33 Ų33109.1 Ų109.117%0.17353%0.525CS..  trans16.880.8165.2-69.6168.2000113.6D218 L337 M548 V552D218-L550 HydrophobicContact CB-CD1 4.3Å; L337-L550 HydrophobicContact CD1-CD2 3.41Å; L337-L550 VanDerWaalsContact CD1-CD2 3.41Å; L337-L550 HydrophobicContact CD1-CG 4.31Å; L337-L550 HydrophobicContact CG-CD2 4.03Å; M548-L550 PolarHBondContact O-N 3.02Å; L550-V552 VanDerWaalsContact C-N 3.32Å; L550-V552 PolarHBondContact O-N 3.28Å
551D27.7Very low43.8Very low128 Ų128102.3 Ų102.368%0.68451%0.509SS*.  trans-62.4104.3157.5-85.6-26.8000106.3M548 V549M548-D551 VanDerWaalsContact SD-OD2 3.33Å; V549-D551 PolarHBondContact O-N 3.39Å
552V31.4Very low42.4Very low146 Ų146100.5 Ų100.589%0.88551%0.507SS*.  trans-65.70178.7176.50000110.9D218 L550D218-V552 WeakPolarHBondContact OD2-CG2 3.18Å; L550-V552 VanDerWaalsContact C-N 3.32Å; L550-V552 PolarHBondContact O-N 3.28Å

Retrieved 552 of 552 residues in 593.4 ms (Link to these results)

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