G4VQ97_SCHMA Loading...

Polypeptide N-acetylgalactosaminyltransferase

AlphaFold DB , UniProt , Accession G4VQ97, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 526 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
1M66.8Low91.8Very high209 Ų20977.6 Ų77.6100%1.0341%0.409SS*.  01420-88.2178.4-90.300108.7
2R83.5Confident92.2Very high139 Ų13972.2 Ų72.253%0.52538%0.381SS..  trans-60.7142.3172.3-64.5-176.6-173.5-165.8-1.5109.1E7 D42R2-E7 HydrophobicContact CB-CG 4.35Å; R2-D42 IonicContact CZ-OD2 3.63Å; R2-D42 PolarHBondContact NH1-O 3.28Å; R2-D42 IonicContact NH1-OD2 3.57Å; R2-D42 PolarHBondContact NH1-OD2 2.93Å
3Q90.7Very high92.3Very high183 Ų18383.8 Ų83.886%0.85542%0.417SS*.  trans-122.6144178.1-65.8-177.4-500109
4G94.2Very high92.3Very high45 Ų4579.5 Ų79.546%0.46440%0.395SS..SBendtrans152.8171.2-179.100000112.1G6 E7G4-G6 PolarHBondContact O-N 3.38Å; G4-E7 PolarHBondContact O-N 3.41Å
5P95.8Very high92.3Very high70 Ų7077.7 Ų77.746%0.45539%0.393SS..THydrogen-bonded Turntrans-57.2127175.3-21.332.5000111.2E7 V12 K38P5-E7 PolarHBondContact O-N 3.2Å; P5-V12 HydrophobicContact CB-CG1 4.38Å; P5-V12 HydrophobicContact CB-CG2 3.97Å; P5-K38 HydrophobicContact CB-CB 4.37Å
6G96.8Very high92.2Very high3 Ų381.2 Ų81.23%0.03141%0.413CS..THydrogen-bonded Turntrans77.7-4.5175.500000115.7G4 G9 L10 R43G4-G6 PolarHBondContact O-N 3.38Å; G6-G9 PolarHBondContact O-N 3.39Å; G6-G9 VanDerWaalsContact O-N 3.13Å; G6-L10 WeakPolarHBondContact CA-O 3.42Å; G6-R43 WeakPolarHBondContact O-CD 3.33Å; G6-R43 PolarHBondContact O-NH1 2.93Å
7E96.6Very high92.1Very high7 Ų781.8 Ų81.83%0.03343%0.427CS..THydrogen-bonded Turntrans-61.4144.1179.6-74.2-66.2167.300111.4R2 G4 P5 G9 L10 S44R2-E7 HydrophobicContact CB-CG 4.35Å; G4-E7 PolarHBondContact O-N 3.41Å; P5-E7 PolarHBondContact O-N 3.2Å; E7-G9 PolarHBondContact O-N 3.03Å; E7-L10 WeakPolarHBondContact O-CG 3.2Å; E7-L10 PolarHBondContact O-N 3.2Å; E7-S44 PolarHBondContact OE2-N 2.86Å; E7-S44 PolarHBondContact OE2-OG 3.1Å
8N95.3Very high92.1Very high51 Ų5180.3 Ų80.327%0.27342%0.417SS..BIsolated β-bridgetrans6117.7-171.9-46.2-71.2000114.3L10 S44 K46N8-L10 VanDerWaalsContact C-N 3.31Å; N8-S44 CarbonylContact C-O 3.53Å; N8-S44 VanDerWaalsContact CA-O 3.22Å; N8-S44 WeakPolarHBondContact CA-O 3.4Å; N8-S44 VanDerWaalsContact CA-OG 3.31Å; N8-S44 WeakPolarHBondContact CA-OG 3.34Å; N8-S44 PolarHBondContact N-O 3.45Å; N8-S44 PolarHBondContact N-OG 2.92Å; N8-S44 PolarHBondContact OD1-OG 3.43Å; N8-K46 PolarHBondContact O-N 2.78Å
9G96.2Very high91.9Very high3 Ų381.7 Ų81.73%0.03142%0.42CS..THydrogen-bonded Turntrans77.512.6-177.600000114.2G6 E7 S44 E196 Y197G6-G9 PolarHBondContact O-N 3.39Å; G6-G9 VanDerWaalsContact O-N 3.13Å; E7-G9 PolarHBondContact O-N 3.03Å; G9-S44 PolarHBondContact N-O 3.36Å; G9-S44 VanDerWaalsContact N-O 3.11Å; G9-E196 WeakPolarHBondContact O-CA 3.19Å; G9-Y197 PolarHBondContact O-N 2.9Å
10L97.2Very high91.6Very high106 Ų10680.4 Ų80.456%0.55542%0.421SS*.PPolyproline II helixtrans-69.5152.5180-66.2174.2000112.1G6 E7 N8G6-L10 WeakPolarHBondContact CA-O 3.42Å; E7-L10 WeakPolarHBondContact O-CG 3.2Å; E7-L10 PolarHBondContact O-N 3.2Å; N8-L10 VanDerWaalsContact C-N 3.31Å
11P97.2Very high91.3Very high38 Ų3880.4 Ų80.425%0.24742%0.422CS..PPolyproline II helixtrans-64.9136.9175.823.8-32000111.6R13 T194 E196P11-R13 PolarHBondContact O-N 2.9Å; P11-T194 HydrophobicContact CB-CG2 4.34Å; P11-E196 HydrophobicContact CB-CB 4Å
12V96.3Very high92.2Very high12 Ų1270.9 Ų70.97%0.07338%0.375CS..PPolyproline II helixtrans-79.2117.6168.8177.50000109.7P5 L14 V35 I39 T194P5-V12 HydrophobicContact CB-CG1 4.38Å; P5-V12 HydrophobicContact CB-CG2 3.97Å; V12-L14 HydrophobicContact CG1-CD2 4Å; V12-V35 HydrophobicContact CB-CG1 3.67Å; V12-V35 HydrophobicContact CG1-CG1 4.17Å; V12-V35 HydrophobicContact CG1-CG2 4.37Å; V12-V35 HydrophobicContact CG2-CG1 3.91Å; V12-I39 HydrophobicContact CG2-CD1 3.62Å; V12-I39 HydrophobicContact CG2-CG1 3.55Å; V12-T194 PolarHBondContact N-O 2.9Å
13R93.8Very high92.1Very high224 Ų22471.7 Ų71.785%0.84538%0.383SS*.  trans-92.1115175.6-63.7-177.9178.7173.8-0.7110.1P11P11-R13 PolarHBondContact O-N 2.9Å
14L92.4Very high91.2Very high23 Ų2371.2 Ų71.212%0.1238%0.378CS..  trans-85.3137.3175.7-61.8-173000111.5V12 Q18 K19 F34 V35 K38V12-L14 HydrophobicContact CG1-CD2 4Å; L14-Q18 HydrophobicContact CB-CB 3.89Å; L14-Q18 HydrophobicContact CD2-CB 4.14Å; L14-Q18 HydrophobicContact CG-CB 4.41Å; L14-K19 HydrophobicContact CB-CG 3.77Å; L14-K19 WeakPolarHBondContact O-CE 3.47Å; L14-F34 HydrophobicContact CD1-CD1 3.99Å; L14-F34 HydrophobicContact CD1-CE1 4.31Å; L14-F34 HydrophobicContact CD2-CD1 4.07Å; L14-F34 HydrophobicContact CD2-CE1 3.88Å; L14-V35 HydrophobicContact CD1-CG2 3.76Å; L14-V35 HydrophobicContact CD2-CG2 3.91Å; L14-V35 HydrophobicContact CG-CG2 3.9Å; L14-K38 HydrophobicContact CD2-CD 4.01Å
15S92.3Very high90Very high52 Ų5270.9 Ų70.936%0.36437%0.367SS..  trans-64164.4165.459.90000111.7S17 Q18 K19S15-S17 VanDerWaalsContact C-N 3.32Å; S15-S17 PolarHBondContact O-N 2.78Å; S15-S17 PolarHBondContact OG-OG 3.43Å; S15-Q18 CarbonylContact O-C 3.47Å; S15-Q18 WeakPolarHBondContact O-CB 3.35Å; S15-Q18 PolarHBondContact O-N 3.06Å; S15-Q18 VanDerWaalsContact O-N 3.09Å; S15-Q18 WeakPolarHBondContact OG-CB 3.32Å; S15-Q18 VanDerWaalsContact OG-CG 3.23Å; S15-Q18 WeakPolarHBondContact OG-CG 3.13Å; S15-Q18 PolarHBondContact OG-N 3.34Å; S15-Q18 PolarHBondContact OG-OE1 3.42Å; S15-K19 WeakPolarHBondContact O-CG 3.27Å; S15-K19 PolarHBondContact O-N 3.01Å
16N90.3Very high88.5Confident134 Ų13468.7 Ų68.772%0.71735%0.351SS*.Hα-helixtrans-58.7-40.1-178.8-71.2-17.3000113.2K19 A20N16-K19 PolarHBondContact O-N 3.07Å; N16-A20 PolarHBondContact O-N 3.34Å; N16-A20 VanDerWaalsContact O-N 3.17Å
17S90.2Very high86.8Confident91 Ų9172.4 Ų72.464%0.63637%0.37SS*.Hα-helixtrans-65.5-40.3174.9560000111.9S15 A20 L21S15-S17 VanDerWaalsContact C-N 3.32Å; S15-S17 PolarHBondContact O-N 2.78Å; S15-S17 PolarHBondContact OG-OG 3.43Å; S17-A20 WeakPolarHBondContact O-CB 3.41Å; S17-A20 PolarHBondContact O-N 3.43Å; S17-L21 PolarHBondContact O-N 2.87Å; S17-L21 VanDerWaalsContact O-N 3.11Å
18Q91.9Very high86.1Confident55 Ų5577 Ų7726%0.25739%0.39SS..Hα-helixtrans-67.4-36.7175.2-75.2169.9-26.100112.7L14 S15 A20 L21 S22 F34 K38L14-Q18 HydrophobicContact CB-CB 3.89Å; L14-Q18 HydrophobicContact CD2-CB 4.14Å; L14-Q18 HydrophobicContact CG-CB 4.41Å; S15-Q18 CarbonylContact O-C 3.47Å; S15-Q18 WeakPolarHBondContact O-CB 3.35Å; S15-Q18 PolarHBondContact O-N 3.06Å; S15-Q18 VanDerWaalsContact O-N 3.09Å; S15-Q18 WeakPolarHBondContact OG-CB 3.32Å; S15-Q18 VanDerWaalsContact OG-CG 3.23Å; S15-Q18 WeakPolarHBondContact OG-CG 3.13Å; S15-Q18 PolarHBondContact OG-N 3.34Å; S15-Q18 PolarHBondContact OG-OE1 3.42Å; Q18-A20 VanDerWaalsContact C-N 3.28Å; Q18-A20 PolarHBondContact O-N 2.9Å; Q18-L21 PolarHBondContact O-N 3.1Å; Q18-S22 WeakPolarHBondContact O-CB 3.28Å; Q18-S22 PolarHBondContact O-N 3.19Å; Q18-F34 HydrophobicContact CB-CE1 3.9Å; Q18-F34 HydrophobicContact CB-CZ 4.35Å; Q18-F34 HydrophobicContact CG-CE1 4.05Å; Q18-F34 HydrophobicContact CG-CZ 4.12Å; Q18-K38 VanDerWaalsContact NE2-NZ 3.19Å
19K88.9Confident85.9Confident108 Ų10874.6 Ų74.647%0.4738%0.377SS..Hα-helixtrans-61.9-37.4173.2-72.4179.1-179.5178.10111.5L14 S15 N16 S22 K23L14-K19 HydrophobicContact CB-CG 3.77Å; L14-K19 WeakPolarHBondContact O-CE 3.47Å; S15-K19 WeakPolarHBondContact O-CG 3.27Å; S15-K19 PolarHBondContact O-N 3.01Å; N16-K19 PolarHBondContact O-N 3.07Å; K19-S22 WeakPolarHBondContact CA-OG 3.31Å; K19-S22 PolarHBondContact O-OG 3.44Å; K19-K23 WeakPolarHBondContact O-CG 3.39Å; K19-K23 PolarHBondContact O-N 2.99Å
20A86.7Confident85.8Confident54 Ų5474.4 Ų74.445%0.44638%0.376SS..Hα-helixtrans-66.7-39.4174.900000111.9N16 S17 Q18N16-A20 PolarHBondContact O-N 3.34Å; N16-A20 VanDerWaalsContact O-N 3.17Å; S17-A20 WeakPolarHBondContact O-CB 3.41Å; S17-A20 PolarHBondContact O-N 3.43Å; Q18-A20 VanDerWaalsContact C-N 3.28Å; Q18-A20 PolarHBondContact O-N 2.9Å
21L84.3Confident85.6Confident82 Ų8269.4 Ų69.443%0.42935%0.349SS..Hα-helixtrans-71.2-38.8175.3-174.259000112.4S17 Q18 K23 K24 T25 F34S17-L21 PolarHBondContact O-N 2.87Å; S17-L21 VanDerWaalsContact O-N 3.11Å; Q18-L21 PolarHBondContact O-N 3.1Å; L21-K23 VanDerWaalsContact C-N 3.32Å; L21-K23 PolarHBondContact O-N 2.86Å; L21-K24 WeakPolarHBondContact O-CB 3.38Å; L21-K24 PolarHBondContact O-N 3.46Å; L21-K24 VanDerWaalsContact O-N 3.08Å; L21-T25 PolarHBondContact O-N 3.39Å; L21-T25 PolarHBondContact O-OG1 3.29Å; L21-F34 HydrophobicContact CB-CE2 4.47Å; L21-F34 HydrophobicContact CD2-CD2 4.22Å; L21-F34 HydrophobicContact CD2-CE2 3.38Å; L21-F34 HydrophobicContact CD2-CZ 3.83Å; L21-F34 HydrophobicContact CG-CD2 4.21Å; L21-F34 HydrophobicContact CG-CE2 3.83Å; L21-F34 HydrophobicContact CG-CZ 4.35Å
22S85.9Confident85.4Confident8 Ų867.9 Ų67.96%0.05634%0.339CS..Hα-helixtrans-63.4-40.3176.377.80000110.1Q18 K19 K24 T25 L26Q18-S22 WeakPolarHBondContact O-CB 3.28Å; Q18-S22 PolarHBondContact O-N 3.19Å; K19-S22 WeakPolarHBondContact CA-OG 3.31Å; K19-S22 PolarHBondContact O-OG 3.44Å; S22-K24 PolarHBondContact O-N 3.01Å; S22-T25 WeakPolarHBondContact CA-OG1 3.06Å; S22-T25 CarbonylContact O-C 3.58Å; S22-T25 PolarHBondContact O-N 2.8Å; S22-T25 PolarHBondContact O-OG1 3.2Å; S22-T25 VanDerWaalsContact O-OG1 3.07Å; S22-L26 WeakPolarHBondContact O-CA 3.35Å; S22-L26 VanDerWaalsContact O-CB 3.28Å; S22-L26 WeakPolarHBondContact O-CB 3.36Å; S22-L26 PolarHBondContact O-N 3.02Å
23K80.9Confident85.3Confident157 Ų15768 Ų6868%0.68334%0.34SS*.Hα-helixtrans-59.8-26.7173.3-77.3177.3174.6-174.40114.4K19 L21K19-K23 WeakPolarHBondContact O-CG 3.39Å; K19-K23 PolarHBondContact O-N 2.99Å; L21-K23 VanDerWaalsContact C-N 3.32Å; L21-K23 PolarHBondContact O-N 2.86Å
24K72.4Confident85.2Confident172 Ų17258.7 Ų58.775%0.74831%0.305SS*.Hα-helixtrans-80.5-20.7176-66.2179.2179.9-175.60113.3L21 S22L21-K24 WeakPolarHBondContact O-CB 3.38Å; L21-K24 PolarHBondContact O-N 3.46Å; L21-K24 VanDerWaalsContact O-N 3.08Å; S22-K24 PolarHBondContact O-N 3.01Å
25T69Low85.3Confident38 Ų3857.6 Ų57.623%0.23330%0.3CS..Hα-helixtrans-110.5-18.9-177.546.30000112.5L21 S22 N27 I33 F34L21-T25 PolarHBondContact O-N 3.39Å; L21-T25 PolarHBondContact O-OG1 3.29Å; S22-T25 WeakPolarHBondContact CA-OG1 3.06Å; S22-T25 CarbonylContact O-C 3.58Å; S22-T25 PolarHBondContact O-N 2.8Å; S22-T25 PolarHBondContact O-OG1 3.2Å; S22-T25 VanDerWaalsContact O-OG1 3.07Å; T25-N27 PolarHBondContact O-N 2.91Å; T25-I33 WeakPolarHBondContact O-CD1 3.5Å; T25-I33 VanDerWaalsContact O-CG1 3.27Å; T25-I33 WeakPolarHBondContact O-CG1 3.3Å; T25-F34 WeakPolarHBondContact OG1-CB 3.42Å
26L63.2Low85.5Confident25 Ų2555.1 Ų55.113%0.13128%0.282CS..THydrogen-bonded Turntrans-50138.3161.2-132.286.3000106.6S22 N32 Y294S22-L26 WeakPolarHBondContact O-CA 3.35Å; S22-L26 VanDerWaalsContact O-CB 3.28Å; S22-L26 WeakPolarHBondContact O-CB 3.36Å; S22-L26 PolarHBondContact O-N 3.02Å; L26-N32 HydrophobicContact CD1-CB 3.74Å; L26-Y294 HydrophobicContact CD2-CD1 4.29Å; L26-Y294 HydrophobicContact CD2-CD2 4.32Å; L26-Y294 HydrophobicContact CD2-CE1 4.05Å; L26-Y294 HydrophobicContact CD2-CE2 4.09Å; L26-Y294 HydrophobicContact CD2-CG 4.41Å; L26-Y294 HydrophobicContact CG-CE2 4.49Å
27N61.8Low85.7Confident80 Ų8053.6 Ų53.643%0.42827%0.271SS..THydrogen-bonded Turntrans109.215.4162.2-44.2-17.3000118.5T25T25-N27 PolarHBondContact O-N 2.91Å
28F82.8Confident85.9Confident103 Ų10352.8 Ų52.845%0.45226%0.256SS..SBendtrans-99.1-31.1166.6-57.4-41.9000113.8I33 R107 N297 F298F28-I33 HydrophobicContact CD2-CD1 4.39Å; F28-R107 PolarHBondContact O-NH2 3.02Å; F28-N297 HydrophobicContact CD1-CB 4.19Å; F28-N297 WeakPolarHBondContact CD1-ND2 3.28Å; F28-N297 PolarHBondContact O-OD1 3.01Å; F28-F298 WeakPolarHBondContact O-CE1 3.48Å
29N91.4Very high86.2Confident1 Ų150.4 Ų50.41%0.00525%0.245CC..BIsolated β-bridgetrans-119.59.7-176.4-73.869.9000113.7F31 I33 E73 E74 H75 R107 R292N29-F31 HydrophobicContact CB-CD1 4.22Å; N29-F31 HydrophobicContact CB-CD2 4.37Å; N29-F31 HydrophobicContact CB-CE1 3.73Å; N29-F31 HydrophobicContact CB-CE2 3.87Å; N29-F31 HydrophobicContact CB-CZ 3.53Å; N29-F31 WeakPolarHBondContact O-CD1 3.47Å; N29-F31 WeakPolarHBondContact O-CE1 3.41Å; N29-F31 PolarHBondContact O-N 3.13Å; N29-I33 HydrophobicContact CB-CG2 4.33Å; N29-E73 PolarHBondContact ND2-O 2.81Å; N29-E74 PolarHBondContact ND2-OE1 3.19Å; N29-H75 HydrophobicContact CB-CB 4.42Å; N29-H75 PolarHBondContact ND2-N 2.9Å; N29-R107 PolarHBondContact ND2-NH1 3.48Å; N29-R107 VanDerWaalsContact OD1-CZ 3.29Å; N29-R107 PolarHBondContact OD1-NH1 2.87Å; N29-R107 PolarHBondContact OD1-NH2 2.85Å; N29-R292 VanDerWaalsContact C-NH1 3.34Å; N29-R292 WeakPolarHBondContact O-CD 3.32Å; N29-R292 PolarHBondContact O-NH1 3.29Å
30G92.5Very high86.6Confident0 Ų051.9 Ų51.90%025%0.251CS..SBendtrans7410.317900000115.1R292 E293 Y294G30-R292 WeakPolarHBondContact O-CA 3.15Å; G30-E293 PolarHBondContact O-N 2.94Å; G30-E293 VanDerWaalsContact O-N 3.08Å; G30-Y294 WeakPolarHBondContact CA-O 3.4Å; G30-Y294 PolarHBondContact O-N 2.9Å; G30-Y294 VanDerWaalsContact O-N 3.13Å
31F93.6Very high87Confident0 Ų051.5 Ų51.50%024%0.243CC..SBendtrans-149.4171.5173.754-107.1000110.1N29 I33 H75 T78 H160 A192 F195 I290 R292N29-F31 HydrophobicContact CB-CD1 4.22Å; N29-F31 HydrophobicContact CB-CD2 4.37Å; N29-F31 HydrophobicContact CB-CE1 3.73Å; N29-F31 HydrophobicContact CB-CE2 3.87Å; N29-F31 HydrophobicContact CB-CZ 3.53Å; N29-F31 WeakPolarHBondContact O-CD1 3.47Å; N29-F31 WeakPolarHBondContact O-CE1 3.41Å; N29-F31 PolarHBondContact O-N 3.13Å; F31-I33 HydrophobicContact CD2-CG2 4.29Å; F31-I33 HydrophobicContact CE2-CG2 4.07Å; F31-I33 PolarHBondContact O-N 2.94Å; F31-I33 VanDerWaalsContact O-N 3.13Å; F31-H75 HydrophobicContact CE2-CB 4.07Å; F31-H75 HydrophobicContact CZ-CB 4.02Å; F31-T78 HydrophobicContact CE2-CG2 3.56Å; F31-T78 HydrophobicContact CZ-CG2 3.59Å; F31-H160 HydrophobicContact CE1-CB 4.5Å; F31-A192 HydrophobicContact CB-CB 4.04Å; F31-A192 WeakPolarHBondContact CB-O 3.4Å; F31-F195 HydrophobicContact CD2-CE2 4.14Å; F31-F195 AromaticContact CD2-CZ 3.75Å; F31-F195 HydrophobicContact CD2-CZ 3.75Å; F31-F195 HydrophobicContact CE2-CZ 4.15Å; F31-F195 HydrophobicContact CG-CZ 4.45Å; F31-I290 HydrophobicContact CB-CG2 3.77Å; F31-I290 HydrophobicContact CD1-CB 4.34Å; F31-I290 HydrophobicContact CD1-CD1 4.3Å; F31-I290 HydrophobicContact CD1-CG2 3.53Å; F31-I290 HydrophobicContact CE1-CD1 4.27Å; F31-I290 HydrophobicContact CE1-CG2 4.31Å; F31-I290 HydrophobicContact CG-CD1 4.43Å; F31-I290 HydrophobicContact CG-CG2 3.83Å; F31-I290 HydrophobicContact CZ-CD1 4.38Å; F31-R292 HydrophobicContact CD1-CG 4.15Å
32N93.8Very high87.6Confident6 Ų650.3 Ų50.33%0.03224%0.237CC..  trans-79.790.1-174.1-170-19.5000113L26 F34 V35 S36 A192 D193 F195L26-N32 HydrophobicContact CD1-CB 3.74Å; N32-F34 PolarHBondContact O-N 3.16Å; N32-F34 WeakPolarHBondContact OD1-CB 3.44Å; N32-F34 PolarHBondContact OD1-N 2.74Å; N32-V35 HydrophobicContact CB-CB 4.21Å; N32-V35 HydrophobicContact CB-CG2 4.38Å; N32-V35 VanDerWaalsContact ND2-CG2 3.33Å; N32-V35 WeakPolarHBondContact ND2-CG2 3.28Å; N32-V35 PolarHBondContact O-N 3.13Å; N32-V35 VanDerWaalsContact O-N 3.16Å; N32-V35 PolarHBondContact OD1-N 2.83Å; N32-V35 VanDerWaalsContact OD1-N 3.14Å; N32-S36 PolarHBondContact O-N 2.82Å; N32-S36 VanDerWaalsContact O-N 3.09Å; N32-A192 WeakPolarHBondContact CB-O 3.21Å; N32-A192 PolarHBondContact N-O 2.78Å; N32-D193 PolarHBondContact ND2-O 3.35Å; N32-F195 VanDerWaalsContact O-CE2 3.28Å; N32-F195 WeakPolarHBondContact O-CE2 3.37Å
33I92.6Very high88.1Confident16 Ų1650 Ų508%0.08224%0.235CC..Hα-helixtrans-60.5-32.7179.467.2177.9000112.9T25 F28 N29 F31 V35 S36 E37 H75T25-I33 WeakPolarHBondContact O-CD1 3.5Å; T25-I33 VanDerWaalsContact O-CG1 3.27Å; T25-I33 WeakPolarHBondContact O-CG1 3.3Å; F28-I33 HydrophobicContact CD2-CD1 4.39Å; N29-I33 HydrophobicContact CB-CG2 4.33Å; F31-I33 HydrophobicContact CD2-CG2 4.29Å; F31-I33 HydrophobicContact CE2-CG2 4.07Å; F31-I33 PolarHBondContact O-N 2.94Å; F31-I33 VanDerWaalsContact O-N 3.13Å; I33-V35 VanDerWaalsContact C-N 3.29Å; I33-V35 PolarHBondContact O-N 2.85Å; I33-S36 WeakPolarHBondContact O-CB 3.25Å; I33-S36 PolarHBondContact O-N 2.84Å; I33-S36 VanDerWaalsContact O-N 3.17Å; I33-E37 WeakPolarHBondContact O-CG 3.42Å; I33-E37 PolarHBondContact O-N 2.98Å; I33-H75 HydrophobicContact CG2-CB 4.35Å
34F93.3Very high88.8Confident28 Ų2844 Ų4412%0.12321%0.213CC..Hα-helixtrans-65.3-35.5178.6-178.3-95.9000112L14 Q18 L21 T25 N32 K38L14-F34 HydrophobicContact CD1-CD1 3.99Å; L14-F34 HydrophobicContact CD1-CE1 4.31Å; L14-F34 HydrophobicContact CD2-CD1 4.07Å; L14-F34 HydrophobicContact CD2-CE1 3.88Å; Q18-F34 HydrophobicContact CB-CE1 3.9Å; Q18-F34 HydrophobicContact CB-CZ 4.35Å; Q18-F34 HydrophobicContact CG-CE1 4.05Å; Q18-F34 HydrophobicContact CG-CZ 4.12Å; L21-F34 HydrophobicContact CB-CE2 4.47Å; L21-F34 HydrophobicContact CD2-CD2 4.22Å; L21-F34 HydrophobicContact CD2-CE2 3.38Å; L21-F34 HydrophobicContact CD2-CZ 3.83Å; L21-F34 HydrophobicContact CG-CD2 4.21Å; L21-F34 HydrophobicContact CG-CE2 3.83Å; L21-F34 HydrophobicContact CG-CZ 4.35Å; T25-F34 WeakPolarHBondContact OG1-CB 3.42Å; N32-F34 PolarHBondContact O-N 3.16Å; N32-F34 WeakPolarHBondContact OD1-CB 3.44Å; N32-F34 PolarHBondContact OD1-N 2.74Å; F34-K38 HydrophobicContact CD1-CD 4.38Å; F34-K38 HydrophobicContact CE1-CD 3.95Å; F34-K38 HydrophobicContact CZ-CD 4.47Å; F34-K38 WeakPolarHBondContact O-CG 3.5Å; F34-K38 PolarHBondContact O-N 2.9Å
35V94.7Very high89.9Confident0 Ų036.4 Ų36.40%018%0.181CC..Hα-helixtrans-71.3-44.3171.7168.70000110.6V12 L14 N32 I33 E37 K38 I39 D193 F195V12-V35 HydrophobicContact CB-CG1 3.67Å; V12-V35 HydrophobicContact CG1-CG1 4.17Å; V12-V35 HydrophobicContact CG1-CG2 4.37Å; V12-V35 HydrophobicContact CG2-CG1 3.91Å; L14-V35 HydrophobicContact CD1-CG2 3.76Å; L14-V35 HydrophobicContact CD2-CG2 3.91Å; L14-V35 HydrophobicContact CG-CG2 3.9Å; N32-V35 HydrophobicContact CB-CB 4.21Å; N32-V35 HydrophobicContact CB-CG2 4.38Å; N32-V35 VanDerWaalsContact ND2-CG2 3.33Å; N32-V35 WeakPolarHBondContact ND2-CG2 3.28Å; N32-V35 PolarHBondContact O-N 3.13Å; N32-V35 VanDerWaalsContact O-N 3.16Å; N32-V35 PolarHBondContact OD1-N 2.83Å; N32-V35 VanDerWaalsContact OD1-N 3.14Å; I33-V35 VanDerWaalsContact C-N 3.29Å; I33-V35 PolarHBondContact O-N 2.85Å; V35-E37 VanDerWaalsContact C-N 3.29Å; V35-E37 PolarHBondContact O-N 3.43Å; V35-K38 WeakPolarHBondContact O-CB 3.26Å; V35-K38 PolarHBondContact O-N 3.06Å; V35-K38 VanDerWaalsContact O-N 3.09Å; V35-I39 HydrophobicContact CG1-CD1 3.95Å; V35-I39 WeakPolarHBondContact O-CG1 3.41Å; V35-I39 PolarHBondContact O-N 2.79Å; V35-D193 WeakPolarHBondContact CG2-O 3.4Å; V35-F195 HydrophobicContact CB-CD2 4.11Å; V35-F195 HydrophobicContact CG1-CB 3.9Å; V35-F195 HydrophobicContact CG1-CD2 3.63Å; V35-F195 HydrophobicContact CG1-CE2 4.49Å; V35-F195 HydrophobicContact CG1-CG 3.98Å
36S95.2Very high91.1Very high0 Ų041.4 Ų41.40%020%0.2CC..Hα-helixtrans-52-47.4174.9-170.10000112.1N32 I33 K38 I39 H75 T78 R81 F195N32-S36 PolarHBondContact O-N 2.82Å; N32-S36 VanDerWaalsContact O-N 3.09Å; I33-S36 WeakPolarHBondContact O-CB 3.25Å; I33-S36 PolarHBondContact O-N 2.84Å; I33-S36 VanDerWaalsContact O-N 3.17Å; S36-K38 VanDerWaalsContact C-N 3.27Å; S36-K38 PolarHBondContact O-N 3.42Å; S36-I39 PolarHBondContact O-N 3.26Å; S36-I39 VanDerWaalsContact O-N 3.1Å; S36-H75 PolarHBondContact OG-ND1 3.48Å; S36-T78 WeakPolarHBondContact OG-CG2 3.43Å; S36-R81 PolarHBondContact O-NH2 3.26Å; S36-R81 PolarHBondContact OG-NH2 3.17Å; S36-R81 VanDerWaalsContact OG-NH2 3.12Å; S36-F195 VanDerWaalsContact CB-CZ 3.42Å
37E94.7Very high92.6Very high102 Ų10242.2 Ų42.248%0.47720%0.204SC..Hα-helixtrans-66.9-23.8-178.5-72.6170.8-170.600113.8I33 V35 I39 H75 E77I33-E37 WeakPolarHBondContact O-CG 3.42Å; I33-E37 PolarHBondContact O-N 2.98Å; V35-E37 VanDerWaalsContact C-N 3.29Å; V35-E37 PolarHBondContact O-N 3.43Å; E37-I39 VanDerWaalsContact C-N 3.33Å; E37-H75 IonicContact OE1-CE1 2.86Å; E37-H75 IonicContact OE1-NE2 2.93Å; E37-H75 PolarHBondContact OE1-NE2 3.38Å; E37-E77 HydrophobicContact CG-CG 4.11Å
38K94.7Very high94.2Very high74 Ų7440.5 Ų40.532%0.32219%0.194SC..Hα-helixtrans-77.5-19.2174.1-77.9-178.7170.3-66.80113.6P5 L14 Q18 F34 V35 S36P5-K38 HydrophobicContact CB-CB 4.37Å; L14-K38 HydrophobicContact CD2-CD 4.01Å; Q18-K38 VanDerWaalsContact NE2-NZ 3.19Å; F34-K38 HydrophobicContact CD1-CD 4.38Å; F34-K38 HydrophobicContact CE1-CD 3.95Å; F34-K38 HydrophobicContact CZ-CD 4.47Å; F34-K38 WeakPolarHBondContact O-CG 3.5Å; F34-K38 PolarHBondContact O-N 2.9Å; V35-K38 WeakPolarHBondContact O-CB 3.26Å; V35-K38 PolarHBondContact O-N 3.06Å; V35-K38 VanDerWaalsContact O-N 3.09Å; S36-K38 VanDerWaalsContact C-N 3.27Å; S36-K38 PolarHBondContact O-N 3.42Å
39I97.3Very high94.9Very high4 Ų436.7 Ų36.72%0.02118%0.177CC..SBendtrans-97.6124.3-175-59.3169000108.5V12 V35 S36 E37 T41 R43 R81 F195V12-I39 HydrophobicContact CG2-CD1 3.62Å; V12-I39 HydrophobicContact CG2-CG1 3.55Å; V35-I39 HydrophobicContact CG1-CD1 3.95Å; V35-I39 WeakPolarHBondContact O-CG1 3.41Å; V35-I39 PolarHBondContact O-N 2.79Å; S36-I39 PolarHBondContact O-N 3.26Å; S36-I39 VanDerWaalsContact O-N 3.1Å; E37-I39 VanDerWaalsContact C-N 3.33Å; I39-T41 PolarHBondContact O-N 3.21Å; I39-R43 HydrophobicContact CG2-CB 3.92Å; I39-R43 VanDerWaalsContact CG2-CD 3.47Å; I39-R43 HydrophobicContact CG2-CG 3.76Å; I39-R81 PolarHBondContact O-NH1 2.76Å; I39-R81 PolarHBondContact O-NH2 3.37Å; I39-F195 HydrophobicContact CD1-CB 3.31Å; I39-F195 HydrophobicContact CD1-CD1 4.03Å; I39-F195 HydrophobicContact CD1-CG 3.83Å
40K96.9Very high95Very high139 Ų13938.4 Ų38.460%0.60418%0.183SC*.  trans-54.8135.6174.2-69.2-172.7175178.80111.3D42 R43 R81K40-D42 WeakPolarHBondContact CB-OD1 3.28Å; K40-D42 PolarHBondContact O-N 2.69Å; K40-D42 VanDerWaalsContact O-N 3.09Å; K40-R43 WeakPolarHBondContact O-CB 3.37Å; K40-R43 PolarHBondContact O-N 2.85Å; K40-R81 VanDerWaalsContact C-NH1 3.28Å; K40-R81 PolarHBondContact O-NH1 3.15Å
41T96.8Very high95.2Very high46 Ų4643.2 Ų43.228%0.28222%0.215SC..THydrogen-bonded Turntrans-60.8-19.2-179.349.40000113.1I39 I80 R81 V84I39-T41 PolarHBondContact O-N 3.21Å; T41-I80 HydrophobicContact CG2-CB 4.11Å; T41-I80 HydrophobicContact CG2-CG2 3.86Å; T41-R81 WeakPolarHBondContact O-CG 3.37Å; T41-V84 WeakPolarHBondContact O-CG1 3.36Å
42D96.4Very high95.2Very high57 Ų5748 Ų4831%0.30524%0.24SC..THydrogen-bonded Turntrans-108.623.9176.876.7-43.6000113.7R2 K40 V84R2-D42 IonicContact CZ-OD2 3.63Å; R2-D42 PolarHBondContact NH1-O 3.28Å; R2-D42 IonicContact NH1-OD2 3.57Å; R2-D42 PolarHBondContact NH1-OD2 2.93Å; K40-D42 WeakPolarHBondContact CB-OD1 3.28Å; K40-D42 PolarHBondContact O-N 2.69Å; K40-D42 VanDerWaalsContact O-N 3.09Å; D42-V84 HydrophobicContact CB-CG1 3.7Å
43R96.7Very high95.4Very high1 Ų147.8 Ų47.80%0.00424%0.239CC..  trans-48.8148.4177.463.7152.1171.1-167.53.1112.1G6 I39 K40 R89 E162 F195G6-R43 WeakPolarHBondContact O-CD 3.33Å; G6-R43 PolarHBondContact O-NH1 2.93Å; I39-R43 HydrophobicContact CG2-CB 3.92Å; I39-R43 VanDerWaalsContact CG2-CD 3.47Å; I39-R43 HydrophobicContact CG2-CG 3.76Å; K40-R43 WeakPolarHBondContact O-CB 3.37Å; K40-R43 PolarHBondContact O-N 2.85Å; R43-R89 PolarHBondContact O-NH2 2.97Å; R43-E162 IonicContact CZ-OE1 2.83Å; R43-E162 VanDerWaalsContact CZ-OE1 3.23Å; R43-E162 IonicContact CZ-OE2 3.76Å; R43-E162 IonicContact NE-OE1 3.74Å; R43-E162 PolarHBondContact NE-OE1 3.16Å; R43-E162 VanDerWaalsContact NE-OE1 3.07Å; R43-E162 IonicContact NE-OE2 3.8Å; R43-E162 PolarHBondContact NE-OE2 2.65Å; R43-E162 IonicContact NH2-OE1 2.58Å; R43-E162 PolarHBondContact NH2-OE1 3.37Å; R43-E162 IonicContact NH2-OE2 3.77Å; R43-F195 PolarHBondContact NH1-O 3.46Å; R43-F195 PolarHBondContact NH2-O 3.28Å
44S95.3Very high95.4Very high31 Ų3154 Ų5422%0.21727%0.266CS..  trans-73.3153.1166.965.80000110.9E7 N8 G9E7-S44 PolarHBondContact OE2-N 2.86Å; E7-S44 PolarHBondContact OE2-OG 3.1Å; N8-S44 CarbonylContact C-O 3.53Å; N8-S44 VanDerWaalsContact CA-O 3.22Å; N8-S44 WeakPolarHBondContact CA-O 3.4Å; N8-S44 VanDerWaalsContact CA-OG 3.31Å; N8-S44 WeakPolarHBondContact CA-OG 3.34Å; N8-S44 PolarHBondContact N-O 3.45Å; N8-S44 PolarHBondContact N-OG 2.92Å; N8-S44 PolarHBondContact OD1-OG 3.43Å; G9-S44 PolarHBondContact N-O 3.36Å; G9-S44 VanDerWaalsContact N-O 3.11Å
45V95.4Very high95.3Very high14 Ų1455.6 Ų55.69%0.08529%0.29CS..BIsolated β-bridgetrans-125.5147.9166.4-63.70000108.4R89 Y197V45-R89 VanDerWaalsContact CG2-CZ 3.5Å; V45-Y197 HydrophobicContact CB-CD2 4.37Å; V45-Y197 HydrophobicContact CB-CG 4.39Å; V45-Y197 HydrophobicContact CG1-CD2 3.88Å; V45-Y197 HydrophobicContact CG1-CE2 4.46Å; V45-Y197 HydrophobicContact CG1-CG 4.17Å
46K93.7Very high95.2Very high143 Ų14357.5 Ų57.562%0.62231%0.305SS*.  trans-67.5139.5177.3-175.4-179.5175.6-174.60110.3N8 I48 N164N8-K46 PolarHBondContact O-N 2.78Å; K46-I48 HydrophobicContact CB-CG2 4.08Å; K46-I48 HydrophobicContact CD-CG2 4.1Å; K46-I48 HydrophobicContact CG-CG2 3.99Å; K46-I48 PolarHBondContact O-N 2.84Å; K46-I48 VanDerWaalsContact O-N 3.14Å; K46-N164 PolarHBondContact O-ND2 3.48Å; K46-N164 PolarHBondContact O-OD1 3.12Å
47D95.4Very high95.2Very high42 Ų4265.3 Ų65.323%0.22535%0.347CS..  trans-69.1106165.4-173.41.4000109R49 K54 V165D47-R49 WeakPolarHBondContact OD1-CB 3.45Å; D47-R49 WeakPolarHBondContact OD1-CG 3.3Å; D47-R49 IonicContact OD1-CZ 2.83Å; D47-R49 PolarHBondContact OD1-N 2.87Å; D47-R49 IonicContact OD1-NE 3.29Å; D47-R49 PolarHBondContact OD1-NE 3.39Å; D47-R49 IonicContact OD1-NH2 3.15Å; D47-R49 IonicContact OD2-CZ 3.98Å; D47-R49 IonicContact OD2-NE 2.73Å; D47-R49 IonicContact OD2-NH2 3.99Å; D47-R49 PolarHBondContact OD2-NH2 3.06Å; D47-K54 WeakPolarHBondContact OD2-CE 3.42Å; D47-V165 HydrophobicContact CB-CB 4.38Å; D47-V165 HydrophobicContact CB-CG2 4.05Å
48I95.4Very high95.2Very high43 Ų4363.3 Ų63.322%0.22134%0.335CS..  trans-110.815.4-179.666.6170.9000112.7K46 D188 Y197 A199K46-I48 HydrophobicContact CB-CG2 4.08Å; K46-I48 HydrophobicContact CD-CG2 4.1Å; K46-I48 HydrophobicContact CG-CG2 3.99Å; K46-I48 PolarHBondContact O-N 2.84Å; K46-I48 VanDerWaalsContact O-N 3.14Å; I48-D188 WeakPolarHBondContact CD1-OD2 3.41Å; I48-Y197 HydrophobicContact CD1-CD1 4.11Å; I48-Y197 HydrophobicContact CD1-CE1 3.6Å; I48-Y197 HydrophobicContact CG1-CE1 4.19Å; I48-A199 HydrophobicContact CD1-CB 3.92Å
49R96.3Very high95.3Very high24 Ų2461.6 Ų61.69%0.09133%0.333CS..SBendtrans-68.1161.4172.3-61172.8-62.31524.1110.3D47 C53 V165 C284 R286D47-R49 WeakPolarHBondContact OD1-CB 3.45Å; D47-R49 WeakPolarHBondContact OD1-CG 3.3Å; D47-R49 IonicContact OD1-CZ 2.83Å; D47-R49 PolarHBondContact OD1-N 2.87Å; D47-R49 IonicContact OD1-NE 3.29Å; D47-R49 PolarHBondContact OD1-NE 3.39Å; D47-R49 IonicContact OD1-NH2 3.15Å; D47-R49 IonicContact OD2-CZ 3.98Å; D47-R49 IonicContact OD2-NE 2.73Å; D47-R49 IonicContact OD2-NH2 3.99Å; D47-R49 PolarHBondContact OD2-NH2 3.06Å; R49-C53 HydrophobicContact CB-CB 3.84Å; R49-V165 WeakPolarHBondContact CD-O 3.11Å; R49-V165 PolarHBondContact NE-O 3.41Å; R49-C284 WeakPolarHBondContact CD-O 3.32Å; R49-R286 HydrophobicContact CG-CG 4.01Å
50Y95.4Very high95.2Very high36 Ų3670.6 Ų70.614%0.14137%0.371CS..  trans-57.3145.9170.9-65.4-71.5000110.9N52 C53 D202 P227 E228 P283Y50-N52 PolarHBondContact O-N 3.23Å; Y50-N52 VanDerWaalsContact O-N 3.15Å; Y50-C53 VanDerWaalsContact O-CB 3.23Å; Y50-C53 WeakPolarHBondContact O-CB 3.48Å; Y50-C53 PolarHBondContact O-N 3.41Å; Y50-D202 WeakPolarHBondContact OH-CA 3.43Å; Y50-D202 VanDerWaalsContact OH-CB 3.28Å; Y50-D202 WeakPolarHBondContact OH-CB 3.16Å; Y50-D202 VanDerWaalsContact OH-CG 3.3Å; Y50-D202 PolarHBondContact OH-OD1 2.91Å; Y50-P227 HydrophobicContact CD1-CB 4.5Å; Y50-P227 HydrophobicContact CD1-CG 4.32Å; Y50-P227 HydrophobicContact CE1-CB 4Å; Y50-P227 HydrophobicContact CE1-CG 4.22Å; Y50-P227 HydrophobicContact CE2-CB 4.2Å; Y50-P227 WeakPolarHBondContact CE2-O 3.49Å; Y50-E228 HydrophobicContact CD2-CB 3.86Å; Y50-E228 HydrophobicContact CG-CB 4.07Å; Y50-P283 HydrophobicContact CD2-CB 4.11Å; Y50-P283 HydrophobicContact CE2-CB 3.86Å
51P95.3Very high95.1Very high101 Ų10170.9 Ų70.966%0.65638%0.375SS*.G310 helixtrans-51.5-39.9-180-29.536.1000113.8C53 K54P51-C53 PolarHBondContact O-N 3.49Å; P51-K54 WeakPolarHBondContact O-CB 2.85Å; P51-K54 PolarHBondContact O-N 2.92Å; P51-K54 VanDerWaalsContact O-N 3.13Å
52N94.7Very high95.2Very high100 Ų10070.2 Ų70.254%0.53537%0.37SS..G310 helixtrans-63.8-22.4179.7-68.50.9000113.4Y50 K54 G55 A56 E228Y50-N52 PolarHBondContact O-N 3.23Å; Y50-N52 VanDerWaalsContact O-N 3.15Å; N52-K54 PolarHBondContact O-N 3.25Å; N52-G55 PolarHBondContact O-N 2.95Å; N52-A56 PolarHBondContact O-N 2.7Å; N52-E228 HydrophobicContact CB-CB 4.43Å; N52-E228 HydrophobicContact CB-CG 3.78Å; N52-E228 WeakPolarHBondContact CB-OE1 3.48Å; N52-E228 PolarHBondContact ND2-OE1 3.17Å
53C97Very high95.3Very high2 Ų268.7 Ų68.71%0.01436%0.362CS..G310 helixtrans-66.5-19.9175.6-63.30000113.6R49 Y50 P51 C284R49-C53 HydrophobicContact CB-CB 3.84Å; Y50-C53 VanDerWaalsContact O-CB 3.23Å; Y50-C53 WeakPolarHBondContact O-CB 3.48Å; Y50-C53 PolarHBondContact O-N 3.41Å; P51-C53 PolarHBondContact O-N 3.49Å; C53-C284 VanDerWaalsContact CA-SG 3.55Å; C53-C284 HydrophobicContact CB-CB 3.72Å; C53-C284 WeakPolarHBondContact CB-SG 3.47Å; C53-C284 WeakPolarHBondContact SG-CA 3.21Å; C53-C284 WeakPolarHBondContact SG-CB 3.47Å; C53-C284 CovalentContact SG-SG 2.04Å; C53-C284 PolarHBondContact SG-SG 3.04Å
54K93.5Very high95.4Very high148 Ų14871.8 Ų71.864%0.64338%0.379SS*.G310 helixtrans-73-30.3-179.8-67.5-177.5178.7179.60112.9D47 P51 N52D47-K54 WeakPolarHBondContact OD2-CE 3.42Å; P51-K54 WeakPolarHBondContact O-CB 2.85Å; P51-K54 PolarHBondContact O-N 2.92Å; P51-K54 VanDerWaalsContact O-N 3.13Å; N52-K54 PolarHBondContact O-N 3.25Å
55G90.6Very high95.6Very high61 Ų6170.3 Ų70.363%0.62937%0.369SS*.SBendtrans-99.12.8177.600000114.1N52 L57N52-G55 PolarHBondContact O-N 2.95Å; G55-L57 PolarHBondContact O-N 3.41Å
56A93Very high95.7Very high39 Ų3969.7 Ų69.732%0.32237%0.365SS..  trans-65.7129.9-177.700000111.1N52 Y58N52-A56 PolarHBondContact O-N 2.7Å; A56-Y58 HydrophobicContact CB-CE2 4.36Å
57L94.6Very high96Very high165 Ų16562.9 Ų62.986%0.86434%0.335SS*.  trans-96.9138.9176-60.1177.7000109.9G55G55-L57 PolarHBondContact O-N 3.41Å
58Y95.8Very high96.1Very high59 Ų5960.9 Ų60.923%0.23132%0.324CS..  trans-117.1163.2177.7-55-72.7000110.2A56 K60 P169 P170 D173A56-Y58 HydrophobicContact CB-CE2 4.36Å; Y58-K60 PolarHBondContact O-N 2.88Å; Y58-P169 HydrophobicContact CD1-CB 4.47Å; Y58-P169 HydrophobicContact CD2-CB 3.71Å; Y58-P169 HydrophobicContact CE2-CB 4.14Å; Y58-P169 HydrophobicContact CG-CB 3.9Å; Y58-P170 VanDerWaalsContact CE1-CA 3.47Å; Y58-P170 HydrophobicContact CE1-CB 3.82Å; Y58-P170 HydrophobicContact CE1-CG 4.1Å; Y58-P170 WeakPolarHBondContact OH-CG 3.48Å; Y58-D173 HydrophobicContact CD1-CB 3.77Å; Y58-D173 HydrophobicContact CG-CB 4.48Å
59S96.8Very high96.3Very high39 Ų3958.8 Ų58.827%0.27331%0.314SS..  trans-52.5137.5175.9-61.50000111.5Q61 D173 S176S59-Q61 VanDerWaalsContact C-N 3.33Å; S59-Q61 PolarHBondContact O-N 2.61Å; S59-D173 VanDerWaalsContact CB-OD1 3.3Å; S59-D173 WeakPolarHBondContact CB-OD1 3.49Å; S59-D173 PolarHBondContact N-OD1 2.66Å; S59-D173 PolarHBondContact OG-OD1 2.92Å; S59-S176 PolarHBondContact OG-OG 3.11Å
60K94.2Very high96.4Very high193 Ų19358.1 Ų58.184%0.83931%0.312SS*.SBendtrans-62.6-38.7-178-174.8179.2178.6178.60112.6Y58Y58-K60 PolarHBondContact O-N 2.88Å
61Q95.3Very high96.6Very high145 Ų14556.4 Ų56.468%0.67831%0.306SS*.SBendtrans-104.2116.2172.8-70.277.831.300108.9S59S59-Q61 VanDerWaalsContact C-N 3.33Å; S59-Q61 PolarHBondContact O-N 2.61Å
62L98.4Very high96.6Very high32 Ų3253.1 Ų53.117%0.16828%0.28CS..  trans-110.5147.2172.4-66.8173000109.7L94 P169 L172 D173L62-L94 HydrophobicContact CB-CD1 4.3Å; L62-L94 HydrophobicContact CB-CD2 3.81Å; L62-L94 HydrophobicContact CD1-CD1 3.95Å; L62-P169 HydrophobicContact CD1-CB 3.81Å; L62-P169 HydrophobicContact CD1-CG 4.38Å; L62-L172 HydrophobicContact CB-CB 4.46Å; L62-L172 HydrophobicContact CB-CD1 4.27Å; L62-L172 HydrophobicContact CD2-CB 3.96Å; L62-D173 HydrophobicContact CD2-CB 4.29Å
63P98.3Very high96.7Very high24 Ų2448.7 Ų48.716%0.15626%0.256CS..  trans-65.8151.7178.625.7-33.9000112D152 V153 L172P63-D152 HydrophobicContact CB-CB 3.74Å; P63-V153 HydrophobicContact CB-CG2 3.89Å; P63-V153 HydrophobicContact CG-CG2 3.58Å; P63-L172 HydrophobicContact CG-CB 4.39Å; P63-L172 HydrophobicContact CG-CD2 4.45Å
64L98.7Very high96.7Very high67 Ų6748.6 Ų48.635%0.35126%0.256SS..  trans-73.6143.4172.2-66.1-179000110.8E93 L94 K96 G151 D152 V153L64-E93 WeakPolarHBondContact CD2-O 2.86Å; L64-L94 WeakPolarHBondContact CA-O 3.45Å; L64-K96 HydrophobicContact CB-CB 4.21Å; L64-K96 HydrophobicContact CD1-CD 4.42Å; L64-G151 CarbonylContact O-C 3.37Å; L64-D152 PolarHBondContact N-OD2 2.94Å; L64-D152 PolarHBondContact O-N 3.45Å; L64-V153 PolarHBondContact O-N 2.93Å; L64-V153 VanDerWaalsContact O-N 3.12Å
65V98.9Very high96.8Very high0 Ų041.9 Ų41.90%023%0.227CC..EExtended strand (participates in β ladder)trans-113.2139.1-176.1-620000113.3I67 L94 I95 K96 E97 V153 I155 L168 L172V65-I67 HydrophobicContact CB-CD1 4.33Å; V65-I67 HydrophobicContact CG2-CD1 3.53Å; V65-I67 HydrophobicContact CG2-CG1 4.37Å; V65-L94 VanDerWaalsContact CG2-O 3.3Å; V65-L94 WeakPolarHBondContact CG2-O 2.85Å; V65-L94 PolarHBondContact N-O 3.28Å; V65-I95 HydrophobicContact CG2-CG1 4.33Å; V65-K96 VanDerWaalsContact O-CB 3.3Å; V65-K96 WeakPolarHBondContact O-CB 3.38Å; V65-K96 PolarHBondContact O-N 2.84Å; V65-E97 PolarHBondContact O-N 3.31Å; V65-V153 VanDerWaalsContact CA-O 3.32Å; V65-V153 WeakPolarHBondContact CA-O 3.43Å; V65-V153 HydrophobicContact CG1-CB 3.97Å; V65-V153 HydrophobicContact CG1-CG1 4.12Å; V65-I155 HydrophobicContact CB-CD1 4.08Å; V65-I155 HydrophobicContact CB-CG1 4.3Å; V65-I155 HydrophobicContact CG1-CD1 3.84Å; V65-I155 HydrophobicContact CG1-CG1 4.23Å; V65-I155 HydrophobicContact CG2-CD1 4.34Å; V65-L168 HydrophobicContact CG1-CD1 4.23Å; V65-L168 HydrophobicContact CG2-CD1 4.24Å; V65-L168 HydrophobicContact CG2-CD2 4.08Å; V65-L172 HydrophobicContact CG1-CD1 3.77Å; V65-L172 HydrophobicContact CG1-CD2 3.46Å; V65-L172 VanDerWaalsContact CG1-CD2 3.46Å; V65-L172 HydrophobicContact CG1-CG 4.22Å
66S98.9Very high97.1Very high0 Ų040.2 Ų40.20%020%0.202CC..EExtended strand (participates in β ladder)trans-102.5117.1160.1-600000108.4E97 T150 G151 V153 I155S66-E97 WeakPolarHBondContact CA-O 3.03Å; S66-E97 WeakPolarHBondContact OG-CG 3.44Å; S66-E97 PolarHBondContact OG-OE1 2.89Å; S66-T150 PolarHBondContact OG-N 2.81Å; S66-G151 WeakPolarHBondContact OG-CA 3.43Å; S66-G151 PolarHBondContact OG-N 3.38Å; S66-V153 PolarHBondContact N-O 2.86Å; S66-I155 PolarHBondContact O-N 3.28Å
67I98.9Very high97.3Very high0 Ų040.4 Ų40.40%020%0.196CC..EExtended strand (participates in β ladder)trans-90.6121.9176.8-58.585.4000108.1V65 I69 V86 I95 E97 V98 I99 I155 L157V65-I67 HydrophobicContact CB-CD1 4.33Å; V65-I67 HydrophobicContact CG2-CD1 3.53Å; V65-I67 HydrophobicContact CG2-CG1 4.37Å; I67-I69 HydrophobicContact CG2-CD1 4.23Å; I67-I69 HydrophobicContact CG2-CG1 4.02Å; I67-V86 HydrophobicContact CD1-CG1 4.31Å; I67-V86 HydrophobicContact CG1-CG1 4.16Å; I67-I95 HydrophobicContact CD1-CB 4.49Å; I67-I95 HydrophobicContact CD1-CD1 4.41Å; I67-I95 HydrophobicContact CD1-CG1 4.19Å; I67-I95 HydrophobicContact CD1-CG2 3.81Å; I67-E97 PolarHBondContact N-O 3.5Å; I67-V98 HydrophobicContact CB-CG1 4.42Å; I67-V98 HydrophobicContact CB-CG2 4.29Å; I67-V98 HydrophobicContact CD1-CG2 4.18Å; I67-V98 CarbonylContact O-C 3.51Å; I67-V98 WeakPolarHBondContact O-CA 3.38Å; I67-I99 PolarHBondContact O-N 2.6Å; I67-I155 CarbonylContact C-O 3.58Å; I67-I155 WeakPolarHBondContact CA-O 3.45Å; I67-I155 HydrophobicContact CG1-CB 4.31Å; I67-L157 HydrophobicContact CG2-CD1 3.86Å; I67-L157 HydrophobicContact CG2-CG 4.22Å
68I98.9Very high97.4Very high0 Ų032.7 Ų32.70%016%0.156CC..EExtended strand (participates in β ladder)trans-110.6118.5-177.1-60.9155.3000108.7I99 V101 A146 A149 L154 I155 F156 L157I68-I99 WeakPolarHBondContact CA-O 3.4Å; I68-I99 HydrophobicContact CG1-CD1 4.43Å; I68-V101 HydrophobicContact CG2-CG2 4.1Å; I68-A146 HydrophobicContact CD1-CB 3.94Å; I68-A149 HydrophobicContact CD1-CB 4.29Å; I68-L154 HydrophobicContact CD1-CB 4.26Å; I68-L154 HydrophobicContact CD1-CD2 3.93Å; I68-L154 HydrophobicContact CD1-CG 4.49Å; I68-I155 PolarHBondContact N-O 2.83Å; I68-F156 HydrophobicContact CB-CD1 3.9Å; I68-F156 HydrophobicContact CB-CE1 4.05Å; I68-F156 HydrophobicContact CD1-CD1 4.21Å; I68-F156 HydrophobicContact CD1-CE1 3.59Å; I68-F156 HydrophobicContact CD1-CZ 3.94Å; I68-F156 HydrophobicContact CG1-CE1 4.46Å; I68-F156 HydrophobicContact CG2-CD1 4.02Å; I68-F156 HydrophobicContact CG2-CE1 4.05Å; I68-F156 WeakPolarHBondContact O-CA 3.32Å; I68-L157 PolarHBondContact O-N 3Å; I68-L157 VanDerWaalsContact O-N 3.15Å
69I98.9Very high97.5Very high0 Ų029.9 Ų29.90%015%0.145CC..EExtended strand (participates in β ladder)trans-119.6100.7-176.8-56.4174.2000108.7I67 V71 L79 T82 V83 V98 I99 L100 V101 L157I67-I69 HydrophobicContact CG2-CD1 4.23Å; I67-I69 HydrophobicContact CG2-CG1 4.02Å; I69-V71 HydrophobicContact CG2-CG2 4.33Å; I69-L79 HydrophobicContact CG2-CD1 4.43Å; I69-T82 HydrophobicContact CD1-CG2 3.92Å; I69-V83 HydrophobicContact CD1-CG2 4.42Å; I69-V98 HydrophobicContact CD1-CG1 3.81Å; I69-I99 PolarHBondContact N-O 2.8Å; I69-L100 HydrophobicContact CB-CD2 3.78Å; I69-L100 HydrophobicContact CD1-CD2 3.92Å; I69-L100 HydrophobicContact CG1-CD2 4.32Å; I69-L100 HydrophobicContact CG2-CD2 4.21Å; I69-L100 WeakPolarHBondContact O-CA 2.99Å; I69-V101 PolarHBondContact O-N 2.73Å; I69-L157 WeakPolarHBondContact CA-O 3.3Å; I69-L157 HydrophobicContact CG1-CB 4.3Å
70P98.5Very high97.6Very high9 Ų928.3 Ų28.36%0.05813%0.133CC..EExtended strand (participates in β ladder)trans-67.1136.2171.230-33.9000110.1V101 L138 A141 R142 L157 S159P70-V101 CarbonylContact C-O 3.51Å; P70-V101 WeakPolarHBondContact CA-O 3.14Å; P70-L138 HydrophobicContact CB-CD1 3.94Å; P70-L138 HydrophobicContact CG-CD1 3.37Å; P70-A141 HydrophobicContact CB-CB 3.86Å; P70-R142 HydrophobicContact CB-CG 4.33Å; P70-R142 HydrophobicContact CG-CG 3.88Å; P70-L157 WeakPolarHBondContact CD-O 3.39Å; P70-S159 WeakPolarHBondContact O-CB 3.47Å; P70-S159 PolarHBondContact O-OG 3.39Å
71V98.4Very high97.8Very high1 Ų119.3 Ų19.31%0.0069%0.094CC..EExtended strand (participates in β ladder)trans-126123.5-177-1790000108.1I69 E74 L79 L100 V101 D102 D103 L110I69-V71 HydrophobicContact CG2-CG2 4.33Å; V71-E74 HydrophobicContact CG1-CB 3.91Å; V71-L79 HydrophobicContact CG1-CD2 4.08Å; V71-L79 HydrophobicContact CG2-CD1 3.64Å; V71-L79 HydrophobicContact CG2-CD2 4.27Å; V71-L100 HydrophobicContact CG2-CB 4.37Å; V71-V101 PolarHBondContact N-O 2.63Å; V71-D102 CarbonylContact O-C 3.25Å; V71-D102 WeakPolarHBondContact O-CA 3.5Å; V71-D103 PolarHBondContact O-N 3.32Å; V71-L110 HydrophobicContact CG1-CD1 4.15Å; V71-L110 HydrophobicContact CG1-CD2 4.17Å
72Y97.3Very high98Very high31 Ų3112.4 Ų12.412%0.1226%0.061CC..SBendtrans-142.6116.8171.2-179.6-110.9000109.8E74 D103 S105 R135 F298 P299Y72-E74 PolarHBondContact O-N 3.16Å; Y72-D103 HydrophobicContact CD2-CB 4.4Å; Y72-D103 VanDerWaalsContact CD2-O 3.25Å; Y72-D103 WeakPolarHBondContact CD2-O 3.41Å; Y72-S105 WeakPolarHBondContact CA-OG 3.49Å; Y72-R135 HydrophobicContact CD2-CG 3.99Å; Y72-R135 HydrophobicContact CE2-CB 3.97Å; Y72-R135 HydrophobicContact CE2-CG 3.63Å; Y72-R135 WeakPolarHBondContact OH-CD 3.3Å; Y72-F298 HydrophobicContact CD1-CD2 4.09Å; Y72-F298 HydrophobicContact CD1-CG 4.46Å; Y72-F298 HydrophobicContact CE1-CB 4Å; Y72-F298 HydrophobicContact CE1-CD2 4.24Å; Y72-F298 HydrophobicContact CE1-CG 4.24Å; Y72-P299 WeakPolarHBondContact OH-CB 3.34Å; Y72-P299 VanDerWaalsContact OH-CD 3.28Å; Y72-P299 WeakPolarHBondContact OH-CD 3.41Å; Y72-P299 WeakPolarHBondContact OH-CG 3.44Å; Y72-P299 PolarHBondContact OH-O 2.72Å
73E96Very high98Very high7 Ų710.9 Ų10.93%0.0335%0.054CC..SBendtrans51.630.4179.6-64.8-71.4137.200112.4N29 S105 S106 R107 F298N29-E73 PolarHBondContact ND2-O 2.81Å; E73-S105 PolarHBondContact N-OG 3.19Å; E73-S106 WeakPolarHBondContact OE1-CA 3.23Å; E73-S106 WeakPolarHBondContact OE1-CB 3.35Å; E73-S106 PolarHBondContact OE1-N 2.76Å; E73-S106 PolarHBondContact OE1-OG 3.01Å; E73-R107 PolarHBondContact O-NE 3.14Å; E73-R107 PolarHBondContact O-NH1 3.4Å; E73-R107 PolarHBondContact O-NH2 3Å; E73-R107 WeakPolarHBondContact OE2-CD 3.47Å; E73-R107 WeakPolarHBondContact OE2-CG 3.06Å; E73-R107 IonicContact OE2-CZ 2.67Å; E73-R107 IonicContact OE2-NE 3.21Å; E73-R107 PolarHBondContact OE2-NE 2.78Å; E73-F298 HydrophobicContact CB-CD1 3.42Å; E73-F298 VanDerWaalsContact CB-CD1 3.42Å; E73-F298 HydrophobicContact CB-CE1 3.36Å; E73-F298 HydrophobicContact CB-CE2 4.44Å; E73-F298 HydrophobicContact CB-CG 4.02Å; E73-F298 HydrophobicContact CB-CZ 3.88Å; E73-F298 HydrophobicContact CG-CD1 4.09Å; E73-F298 HydrophobicContact CG-CE1 4.48Å; E73-F298 HydrophobicContact CG-CG 4.43Å; E73-F298 VanDerWaalsContact O-CE1 3.23Å; E73-F298 WeakPolarHBondContact O-CE1 3.5Å; E73-F298 WeakPolarHBondContact O-CZ 3.44Å
74E96.6Very high98Very high0 Ų010.5 Ų10.50%05%0.051CC..  trans-74.7152.2-173.7-166.859.2-78.200112.1N29 V71 Y72 L79 R107 Y109 S159 H160 R292N29-E74 PolarHBondContact ND2-OE1 3.19Å; V71-E74 HydrophobicContact CG1-CB 3.91Å; Y72-E74 PolarHBondContact O-N 3.16Å; E74-L79 HydrophobicContact CG-CB 4.23Å; E74-R107 PolarHBondContact O-NH1 2.71Å; E74-Y109 VanDerWaalsContact O-CE2 3.3Å; E74-Y109 WeakPolarHBondContact O-CE2 3.39Å; E74-Y109 PolarHBondContact O-OH 3.13Å; E74-Y109 VanDerWaalsContact O-OH 3.14Å; E74-S159 WeakPolarHBondContact CG-OG 3.25Å; E74-S159 PolarHBondContact OE2-OG 3.1Å; E74-H160 IonicContact OE2-CE1 3.04Å; E74-H160 IonicContact OE2-CG 3.88Å; E74-H160 IonicContact OE2-ND1 2.64Å; E74-H160 PolarHBondContact OE2-ND1 3.13Å; E74-R292 IonicContact OE1-CZ 3.24Å; E74-R292 IonicContact OE1-NH1 3.17Å; E74-R292 IonicContact OE1-NH2 3.71Å; E74-R292 PolarHBondContact OE1-NH2 3.24Å; E74-R292 IonicContact OE2-NH2 2.64Å; E74-R292 PolarHBondContact OE2-NH2 3.47Å
75H95.5Very high98Very high8 Ų87.4 Ų7.44%0.0374%0.035CC..  trans-71.1139.2171179.5-115.3000110.5N29 F31 I33 S36 E37 E77 T78 L79N29-H75 HydrophobicContact CB-CB 4.42Å; N29-H75 PolarHBondContact ND2-N 2.9Å; F31-H75 HydrophobicContact CE2-CB 4.07Å; F31-H75 HydrophobicContact CZ-CB 4.02Å; I33-H75 HydrophobicContact CG2-CB 4.35Å; S36-H75 PolarHBondContact OG-ND1 3.48Å; E37-H75 IonicContact OE1-CE1 2.86Å; E37-H75 IonicContact OE1-NE2 2.93Å; E37-H75 PolarHBondContact OE1-NE2 3.38Å; H75-E77 IonicContact CD2-OE2 2.72Å; H75-E77 IonicContact CE1-OE2 3.12Å; H75-E77 PolarHBondContact CE1-OE2 3.02Å; H75-E77 IonicContact ND1-OE2 2.71Å; H75-E77 IonicContact NE2-OE2 2.83Å; H75-E77 PolarHBondContact NE2-OE2 3.39Å; H75-E77 PolarHBondContact O-N 2.9Å; H75-T78 PolarHBondContact O-N 2.88Å; H75-T78 PolarHBondContact O-OG1 3.44Å; H75-L79 PolarHBondContact O-N 3.14Å; H75-L79 VanDerWaalsContact O-N 3.13Å
76W96.9Very high98Very high26 Ų267.4 Ų7.410%0.0984%0.035CC..Hα-helixtrans-58.8-52.3-173176.9-91.6000111.6T78 L79 I80 Y109 R113 L114 Y117W76-T78 VanDerWaalsContact C-N 3.35Å; W76-T78 PolarHBondContact O-N 2.95Å; W76-L79 PolarHBondContact O-N 2.86Å; W76-I80 HydrophobicContact CD2-CG1 4.24Å; W76-I80 HydrophobicContact CG-CG1 4.43Å; W76-I80 HydrophobicContact CZ2-CD1 4.24Å; W76-I80 HydrophobicContact CZ2-CG1 4.18Å; W76-I80 WeakPolarHBondContact O-CG1 3.42Å; W76-I80 PolarHBondContact O-N 3.33Å; W76-Y109 HydrophobicContact CB-CD2 4.27Å; W76-Y109 HydrophobicContact CB-CE2 4.25Å; W76-Y109 HydrophobicContact CE3-CD2 4.02Å; W76-Y109 WeakPolarHBondContact CZ3-O 3.47Å; W76-R113 HydrophobicContact CH2-CG 3.83Å; W76-R113 HydrophobicContact CZ3-CG 3.92Å; W76-L114 HydrophobicContact CH2-CD1 4.36Å; W76-L114 HydrophobicContact CZ3-CB 4.13Å; W76-L114 HydrophobicContact CZ3-CD1 4.11Å; W76-Y117 HydrophobicContact CH2-CD1 4.33Å; W76-Y117 HydrophobicContact CH2-CD2 4.44Å; W76-Y117 AromaticContact CH2-CG 3.9Å; W76-Y117 HydrophobicContact CH2-CG 3.9Å; W76-Y117 HydrophobicContact CZ2-CD1 4.34Å; W76-Y117 AromaticContact CZ2-CD2 3.97Å; W76-Y117 HydrophobicContact CZ2-CD2 3.97Å; W76-Y117 AromaticContact CZ2-CG 3.85Å; W76-Y117 HydrophobicContact CZ2-CG 3.85Å
77E97Very high97.9Very high43 Ų438.2 Ų8.220%0.2014%0.039CC..Hα-helixtrans-67.1-34.3-174.6-71.367-154.400112.1E37 H75 R81E37-E77 HydrophobicContact CG-CG 4.11Å; H75-E77 IonicContact CD2-OE2 2.72Å; H75-E77 IonicContact CE1-OE2 3.12Å; H75-E77 PolarHBondContact CE1-OE2 3.02Å; H75-E77 IonicContact ND1-OE2 2.71Å; H75-E77 IonicContact NE2-OE2 2.83Å; H75-E77 PolarHBondContact NE2-OE2 3.39Å; H75-E77 PolarHBondContact O-N 2.9Å; E77-R81 WeakPolarHBondContact O-CB 3.44Å; E77-R81 PolarHBondContact O-N 3.39Å
78T97.2Very high97.8Very high3 Ų313.3 Ų13.32%0.0187%0.066CC..Hα-helixtrans-68.9-39.1175.355.20000112.3F31 S36 H75 W76 T82 S159 F195 I290F31-T78 HydrophobicContact CE2-CG2 3.56Å; F31-T78 HydrophobicContact CZ-CG2 3.59Å; S36-T78 WeakPolarHBondContact OG-CG2 3.43Å; H75-T78 PolarHBondContact O-N 2.88Å; H75-T78 PolarHBondContact O-OG1 3.44Å; W76-T78 VanDerWaalsContact C-N 3.35Å; W76-T78 PolarHBondContact O-N 2.95Å; T78-T82 PolarHBondContact O-N 3.42Å; T78-T82 PolarHBondContact O-OG1 2.98Å; T78-S159 CarbonylContact C-O 3.54Å; T78-F195 HydrophobicContact CG2-CE1 4.05Å; T78-F195 HydrophobicContact CG2-CZ 4.19Å; T78-I290 HydrophobicContact CG2-CD1 3.76Å
79L98.6Very high97.8Very high0 Ų015.3 Ų15.30%07%0.074CC..Hα-helixtrans-63.3-51.2175.417560.5000111I69 V71 E74 H75 W76 R81 T82 V83 L100 L110 L114 S159I69-L79 HydrophobicContact CG2-CD1 4.43Å; V71-L79 HydrophobicContact CG1-CD2 4.08Å; V71-L79 HydrophobicContact CG2-CD1 3.64Å; V71-L79 HydrophobicContact CG2-CD2 4.27Å; E74-L79 HydrophobicContact CG-CB 4.23Å; H75-L79 PolarHBondContact O-N 3.14Å; H75-L79 VanDerWaalsContact O-N 3.13Å; W76-L79 PolarHBondContact O-N 2.86Å; L79-R81 VanDerWaalsContact C-N 3.32Å; L79-R81 PolarHBondContact O-N 3.45Å; L79-T82 WeakPolarHBondContact O-CB 3.36Å; L79-T82 PolarHBondContact O-N 2.86Å; L79-V83 PolarHBondContact O-N 2.82Å; L79-V83 VanDerWaalsContact O-N 3.15Å; L79-L100 HydrophobicContact CD1-CD1 4.29Å; L79-L100 HydrophobicContact CD1-CD2 4.17Å; L79-L100 HydrophobicContact CD2-CD1 4.43Å; L79-L110 HydrophobicContact CD2-CD2 3.82Å; L79-L114 HydrophobicContact CD2-CD1 4.29Å; L79-L114 HydrophobicContact CD2-CD2 4.22Å; L79-S159 WeakPolarHBondContact CA-O 3.44Å; L79-S159 PolarHBondContact N-O 3.39Å
80I98.6Very high97.7Very high5 Ų515.9 Ų15.93%0.0268%0.078CC..Hα-helixtrans-62.7-41.3179.6-61.6-45.1000110.9T41 W76 T82 V83 V84 Y117T41-I80 HydrophobicContact CG2-CB 4.11Å; T41-I80 HydrophobicContact CG2-CG2 3.86Å; W76-I80 HydrophobicContact CD2-CG1 4.24Å; W76-I80 HydrophobicContact CG-CG1 4.43Å; W76-I80 HydrophobicContact CZ2-CD1 4.24Å; W76-I80 HydrophobicContact CZ2-CG1 4.18Å; W76-I80 WeakPolarHBondContact O-CG1 3.42Å; W76-I80 PolarHBondContact O-N 3.33Å; I80-T82 VanDerWaalsContact C-N 3.29Å; I80-T82 PolarHBondContact O-N 3.39Å; I80-V83 PolarHBondContact O-N 3.09Å; I80-V84 HydrophobicContact CG2-CG2 3.96Å; I80-V84 WeakPolarHBondContact O-CB 3.46Å; I80-V84 VanDerWaalsContact O-CG2 3.25Å; I80-V84 WeakPolarHBondContact O-CG2 3.49Å; I80-V84 PolarHBondContact O-N 2.87Å; I80-Y117 HydrophobicContact CD1-CD1 3.86Å; I80-Y117 HydrophobicContact CD1-CE1 3.44Å; I80-Y117 VanDerWaalsContact CD1-CE1 3.44Å; I80-Y117 HydrophobicContact CG1-CE1 4.34Å; I80-Y117 WeakPolarHBondContact CG2-OH 3.43Å
81R98.2Very high97.6Very high4 Ų417.1 Ų17.12%0.0159%0.086CC..Hα-helixtrans-61.1-37.5176.1-167.2-171-40.3-72.9-1.2112.3S36 I39 K40 T41 E77 L79 S85 E162S36-R81 PolarHBondContact O-NH2 3.26Å; S36-R81 PolarHBondContact OG-NH2 3.17Å; S36-R81 VanDerWaalsContact OG-NH2 3.12Å; I39-R81 PolarHBondContact O-NH1 2.76Å; I39-R81 PolarHBondContact O-NH2 3.37Å; K40-R81 VanDerWaalsContact C-NH1 3.28Å; K40-R81 PolarHBondContact O-NH1 3.15Å; T41-R81 WeakPolarHBondContact O-CG 3.37Å; E77-R81 WeakPolarHBondContact O-CB 3.44Å; E77-R81 PolarHBondContact O-N 3.39Å; L79-R81 VanDerWaalsContact C-N 3.32Å; L79-R81 PolarHBondContact O-N 3.45Å; R81-S85 VanDerWaalsContact O-CB 3.26Å; R81-S85 WeakPolarHBondContact O-CB 3.26Å; R81-S85 PolarHBondContact O-N 3.06Å; R81-S85 PolarHBondContact O-OG 2.82Å; R81-E162 WeakPolarHBondContact CD-OE1 3.49Å; R81-E162 HydrophobicContact CG-CG 3.76Å
82T98.8Very high97.5Very high0 Ų021.7 Ų21.70%011%0.11CC..Hα-helixtrans-59.2-54.7173.5-55.50000110.5I69 T78 L79 I80 V84 S85 V86 S159 H160 C161I69-T82 HydrophobicContact CD1-CG2 3.92Å; T78-T82 PolarHBondContact O-N 3.42Å; T78-T82 PolarHBondContact O-OG1 2.98Å; L79-T82 WeakPolarHBondContact O-CB 3.36Å; L79-T82 PolarHBondContact O-N 2.86Å; I80-T82 VanDerWaalsContact C-N 3.29Å; I80-T82 PolarHBondContact O-N 3.39Å; T82-V84 PolarHBondContact O-N 3.37Å; T82-S85 PolarHBondContact O-N 3.48Å; T82-S85 PolarHBondContact O-OG 3.22Å; T82-V86 WeakPolarHBondContact O-CG2 3.38Å; T82-V86 PolarHBondContact O-N 3.32Å; T82-S159 VanDerWaalsContact OG1-C 3.27Å; T82-S159 PolarHBondContact OG1-O 3.29Å; T82-H160 PolarHBondContact OG1-N 3.43Å; T82-C161 WeakPolarHBondContact CA-O 3.2Å; T82-C161 HydrophobicContact CG2-CB 4.07Å; T82-C161 PolarHBondContact OG1-N 3.09Å; T82-C161 PolarHBondContact OG1-O 2.84Å; T82-C161 VanDerWaalsContact OG1-O 3.06Å
83V98.7Very high97.5Very high1 Ų127.2 Ų27.21%0.00614%0.137CC..Hα-helixtrans-58.7-48.7178.9176.60000111.5I69 L79 I80 S85 V86 L87 L100 Y122 V127I69-V83 HydrophobicContact CD1-CG2 4.42Å; L79-V83 PolarHBondContact O-N 2.82Å; L79-V83 VanDerWaalsContact O-N 3.15Å; I80-V83 PolarHBondContact O-N 3.09Å; V83-S85 VanDerWaalsContact C-N 3.35Å; V83-S85 PolarHBondContact O-N 3.03Å; V83-V86 WeakPolarHBondContact O-CB 3.44Å; V83-V86 PolarHBondContact O-N 3.28Å; V83-L87 HydrophobicContact CG1-CD1 4.13Å; V83-L87 WeakPolarHBondContact O-CG 3.44Å; V83-L87 PolarHBondContact O-N 3Å; V83-L100 HydrophobicContact CG2-CD1 4.46Å; V83-L100 HydrophobicContact CG2-CD2 3.9Å; V83-Y122 HydrophobicContact CG1-CE2 4.26Å; V83-V127 HydrophobicContact CG1-CB 4.5Å; V83-V127 HydrophobicContact CG1-CG1 3.94Å; V83-V127 HydrophobicContact CG1-CG2 3.84Å; V83-V127 HydrophobicContact CG2-CG1 4.46Å
84V98.3Very high97.6Very high15 Ų1527.8 Ų27.89%0.09114%0.14CC..Hα-helixtrans-63-41.1-178.6170.20000111.3T41 D42 I80 T82 L87 N88T41-V84 WeakPolarHBondContact O-CG1 3.36Å; D42-V84 HydrophobicContact CB-CG1 3.7Å; I80-V84 HydrophobicContact CG2-CG2 3.96Å; I80-V84 WeakPolarHBondContact O-CB 3.46Å; I80-V84 VanDerWaalsContact O-CG2 3.25Å; I80-V84 WeakPolarHBondContact O-CG2 3.49Å; I80-V84 PolarHBondContact O-N 2.87Å; T82-V84 PolarHBondContact O-N 3.37Å; V84-L87 PolarHBondContact O-N 2.88Å; V84-N88 WeakPolarHBondContact CG1-ND2 3.26Å; V84-N88 VanDerWaalsContact O-CB 3.26Å; V84-N88 WeakPolarHBondContact O-CB 3.49Å; V84-N88 VanDerWaalsContact O-CG 3.31Å; V84-N88 PolarHBondContact O-N 2.76Å
85S98.4Very high97.7Very high3 Ų328.2 Ų28.22%0.02114%0.142CC..Hα-helixtrans-63.9-42.9176.773.40000112R81 T82 V83 L87 R89 E162 T163R81-S85 VanDerWaalsContact O-CB 3.26Å; R81-S85 WeakPolarHBondContact O-CB 3.26Å; R81-S85 PolarHBondContact O-N 3.06Å; R81-S85 PolarHBondContact O-OG 2.82Å; T82-S85 PolarHBondContact O-N 3.48Å; T82-S85 PolarHBondContact O-OG 3.22Å; V83-S85 VanDerWaalsContact C-N 3.35Å; V83-S85 PolarHBondContact O-N 3.03Å; S85-L87 VanDerWaalsContact C-N 3.34Å; S85-L87 PolarHBondContact O-N 3.45Å; S85-R89 VanDerWaalsContact O-CB 3.31Å; S85-R89 WeakPolarHBondContact O-CB 3.36Å; S85-R89 PolarHBondContact O-N 2.91Å; S85-R89 VanDerWaalsContact O-N 3.09Å; S85-E162 WeakPolarHBondContact OG-CA 3.29Å; S85-T163 PolarHBondContact O-OG1 3.42Å; S85-T163 PolarHBondContact OG-N 3.14Å; S85-T163 VanDerWaalsContact OG-N 3.14Å
86V98.7Very high97.8Very high0 Ų033.1 Ų33.10%016%0.163CC..Hα-helixtrans-57.7-47176.7165.70000110.8I67 T82 V83 S90 I95 V98 L157 T163 W167I67-V86 HydrophobicContact CD1-CG1 4.31Å; I67-V86 HydrophobicContact CG1-CG1 4.16Å; T82-V86 WeakPolarHBondContact O-CG2 3.38Å; T82-V86 PolarHBondContact O-N 3.32Å; V83-V86 WeakPolarHBondContact O-CB 3.44Å; V83-V86 PolarHBondContact O-N 3.28Å; V86-S90 WeakPolarHBondContact O-CB 3.5Å; V86-S90 PolarHBondContact O-OG 2.81Å; V86-I95 HydrophobicContact CG1-CD1 4.1Å; V86-V98 HydrophobicContact CG1-CG2 4.19Å; V86-L157 HydrophobicContact CG2-CD1 3.57Å; V86-T163 HydrophobicContact CG2-CG2 3.76Å; V86-T163 PolarHBondContact N-OG1 2.86Å; V86-W167 HydrophobicContact CG1-CZ2 4.36Å; V86-W167 HydrophobicContact CG2-CZ2 4.34Å
87L98.2Very high97.9Very high16 Ų1632.6 Ų32.68%0.08416%0.162CC..Hα-helixtrans-73.9-43.8-177.6-63.2179.2000112.4V83 V84 S85 R89 L92 I95 V98 Y122 L126 V127V83-L87 HydrophobicContact CG1-CD1 4.13Å; V83-L87 WeakPolarHBondContact O-CG 3.44Å; V83-L87 PolarHBondContact O-N 3Å; V84-L87 PolarHBondContact O-N 2.88Å; S85-L87 VanDerWaalsContact C-N 3.34Å; S85-L87 PolarHBondContact O-N 3.45Å; L87-R89 VanDerWaalsContact C-N 3.3Å; L87-R89 PolarHBondContact O-N 2.73Å; L87-L92 HydrophobicContact CB-CD2 4.25Å; L87-L92 HydrophobicContact CD2-CD2 4.09Å; L87-I95 HydrophobicContact CD2-CD1 3.81Å; L87-V98 HydrophobicContact CD2-CG2 4.13Å; L87-Y122 HydrophobicContact CD1-CD1 4.19Å; L87-Y122 HydrophobicContact CD1-CE1 3.33Å; L87-L126 HydrophobicContact CD2-CD2 3.9Å; L87-L126 HydrophobicContact CD2-CG 4.41Å; L87-V127 HydrophobicContact CD1-CG2 3.9Å
88N97Very high98Very high108 Ų10830.5 Ų30.558%0.57815%0.152SC*.Hα-helixtrans-72.7-21.2-175.7-74.1-7000113.7V84V84-N88 WeakPolarHBondContact CG1-ND2 3.26Å; V84-N88 VanDerWaalsContact O-CB 3.26Å; V84-N88 WeakPolarHBondContact O-CB 3.49Å; V84-N88 VanDerWaalsContact O-CG 3.31Å; V84-N88 PolarHBondContact O-N 2.76Å
89R97.2Very high98.1Very high41 Ų4130.4 Ų30.416%0.15515%0.152CC..THydrogen-bonded Turntrans-116.717.4-172.4-56.6170.1-172.9155.64.8112.7R43 V45 S85 L87 E162 T163 W167R43-R89 PolarHBondContact O-NH2 2.97Å; V45-R89 VanDerWaalsContact CG2-CZ 3.5Å; S85-R89 VanDerWaalsContact O-CB 3.31Å; S85-R89 WeakPolarHBondContact O-CB 3.36Å; S85-R89 PolarHBondContact O-N 2.91Å; S85-R89 VanDerWaalsContact O-N 3.09Å; L87-R89 VanDerWaalsContact C-N 3.3Å; L87-R89 PolarHBondContact O-N 2.73Å; R89-E162 IonicContact NH2-OE2 3.85Å; R89-T163 WeakPolarHBondContact CD-O 3.31Å; R89-T163 PolarHBondContact NH1-O 3.18Å; R89-W167 VanDerWaalsContact O-CD1 3.31Å
90S97.7Very high98.1Very high13 Ų1330.4 Ų30.49%0.09115%0.152CC..SBendtrans-126.9148.2175.4-58.60000110.3V86 L92 W167V86-S90 WeakPolarHBondContact O-CB 3.5Å; V86-S90 PolarHBondContact O-OG 2.81Å; S90-L92 PolarHBondContact O-N 2.94Å; S90-W167 PolarHBondContact OG-NE1 2.74Å
91P96.5Very high98.1Very high35 Ų3530.1 Ų30.123%0.22715%0.15CC..  trans-62.7117.7162.8-1630.1000109.2E93 L94 P169P91-E93 VanDerWaalsContact C-OE2 3.3Å; P91-E93 HydrophobicContact CB-CG 4.41Å; P91-E93 WeakPolarHBondContact CB-OE1 3.13Å; P91-E93 WeakPolarHBondContact CB-OE2 3.48Å; P91-E93 PolarHBondContact O-N 3.09Å; P91-L94 HydrophobicContact CB-CD1 4.07Å; P91-L94 HydrophobicContact CB-CG 4.14Å; P91-L94 HydrophobicContact CG-CD1 3.91Å; P91-L94 WeakPolarHBondContact O-CB 3.49Å; P91-L94 PolarHBondContact O-N 3.36Å; P91-P169 HydrophobicContact CG-CG 4.31Å
92L96.2Very high98.1Very high96 Ų9630 Ų3050%0.50315%0.15SC..G310 helixtrans-64.5-29.1-173-71.3179.1000112.3L87 S90 L94 I95L87-L92 HydrophobicContact CB-CD2 4.25Å; L87-L92 HydrophobicContact CD2-CD2 4.09Å; S90-L92 PolarHBondContact O-N 2.94Å; L92-L94 PolarHBondContact O-N 2.61Å; L92-I95 HydrophobicContact CD2-CD1 4.4Å; L92-I95 PolarHBondContact O-N 2.95Å
93E96.8Very high98.1Very high147 Ų14730.1 Ų30.169%0.68715%0.151SC*.G310 helixtrans-63.3-17.8175.267.5-87.3-153.200113.6L64 P91L64-E93 WeakPolarHBondContact CD2-O 2.86Å; P91-E93 VanDerWaalsContact C-OE2 3.3Å; P91-E93 HydrophobicContact CB-CG 4.41Å; P91-E93 WeakPolarHBondContact CB-OE1 3.13Å; P91-E93 WeakPolarHBondContact CB-OE2 3.48Å; P91-E93 PolarHBondContact O-N 3.09Å
94L98.4Very high98Very high19 Ų1931 Ų3110%0.09916%0.16CC..G310 helixtrans-88.9-17.2173.8-61.8179.6000112.5L62 L64 V65 P91 L92 K96 L168 L172L62-L94 HydrophobicContact CB-CD1 4.3Å; L62-L94 HydrophobicContact CB-CD2 3.81Å; L62-L94 HydrophobicContact CD1-CD1 3.95Å; L64-L94 WeakPolarHBondContact CA-O 3.45Å; V65-L94 VanDerWaalsContact CG2-O 3.3Å; V65-L94 WeakPolarHBondContact CG2-O 2.85Å; V65-L94 PolarHBondContact N-O 3.28Å; P91-L94 HydrophobicContact CB-CD1 4.07Å; P91-L94 HydrophobicContact CB-CG 4.14Å; P91-L94 HydrophobicContact CG-CD1 3.91Å; P91-L94 WeakPolarHBondContact O-CB 3.49Å; P91-L94 PolarHBondContact O-N 3.36Å; L92-L94 PolarHBondContact O-N 2.61Å; L94-K96 PolarHBondContact O-N 3.28Å; L94-L168 HydrophobicContact CB-CD2 4.03Å; L94-L168 HydrophobicContact CD1-CD2 4.39Å; L94-L172 HydrophobicContact CD1-CD1 4.3Å
95I98.6Very high98Very high10 Ų1030.5 Ų30.55%0.05116%0.157CC..EExtended strand (participates in β ladder)trans-88.3109.7-178-59.5-174.4000109V65 I67 V86 L87 L92 V98 L126 L168V65-I95 HydrophobicContact CG2-CG1 4.33Å; I67-I95 HydrophobicContact CD1-CB 4.49Å; I67-I95 HydrophobicContact CD1-CD1 4.41Å; I67-I95 HydrophobicContact CD1-CG1 4.19Å; I67-I95 HydrophobicContact CD1-CG2 3.81Å; V86-I95 HydrophobicContact CG1-CD1 4.1Å; L87-I95 HydrophobicContact CD2-CD1 3.81Å; L92-I95 HydrophobicContact CD2-CD1 4.4Å; L92-I95 PolarHBondContact O-N 2.95Å; I95-V98 HydrophobicContact CG2-CG2 4.14Å; I95-L126 HydrophobicContact CG2-CD1 3.89Å; I95-L168 HydrophobicContact CG1-CD2 4.42Å
96K98.7Very high97.8Very high110 Ų11034.4 Ų34.448%0.47818%0.184SC..EExtended strand (participates in β ladder)trans-71.6-46.2170.2-178.356.4178.9174.10110.7L64 V65 L94 T150L64-K96 HydrophobicContact CB-CB 4.21Å; L64-K96 HydrophobicContact CD1-CD 4.42Å; V65-K96 VanDerWaalsContact O-CB 3.3Å; V65-K96 WeakPolarHBondContact O-CB 3.38Å; V65-K96 PolarHBondContact O-N 2.84Å; L94-K96 PolarHBondContact O-N 3.28Å; K96-T150 WeakPolarHBondContact CE-OG1 3.43Å; K96-T150 WeakPolarHBondContact CG-OG1 3.5Å
97E98.8Very high97.7Very high15 Ų1535.7 Ų35.77%0.0719%0.189CC..EExtended strand (participates in β ladder)trans-168156.2-175.659.4-164.4153.900112V65 S66 I67 I99 L126 W128 A149 T150V65-E97 PolarHBondContact O-N 3.31Å; S66-E97 WeakPolarHBondContact CA-O 3.03Å; S66-E97 WeakPolarHBondContact OG-CG 3.44Å; S66-E97 PolarHBondContact OG-OE1 2.89Å; I67-E97 PolarHBondContact N-O 3.5Å; E97-I99 HydrophobicContact CB-CG1 4.5Å; E97-I99 HydrophobicContact CG-CD1 4.1Å; E97-I99 HydrophobicContact CG-CG1 3.88Å; E97-L126 CarbonylContact C-O 3.46Å; E97-L126 WeakPolarHBondContact CA-O 3.1Å; E97-W128 WeakPolarHBondContact OE2-CZ2 3.3Å; E97-W128 PolarHBondContact OE2-NE1 3.3Å; E97-A149 WeakPolarHBondContact OE1-CA 3.23Å; E97-T150 PolarHBondContact OE1-N 2.63Å; E97-T150 PolarHBondContact OE1-OG1 3.01Å
98V98.9Very high97.6Very high0 Ų045.8 Ų45.80%023%0.226CC..EExtended strand (participates in β ladder)trans-116.8114.7165.8-177.60000107.8I67 I69 V86 L87 I95 L100 L126 V127 W128I67-V98 HydrophobicContact CB-CG1 4.42Å; I67-V98 HydrophobicContact CB-CG2 4.29Å; I67-V98 HydrophobicContact CD1-CG2 4.18Å; I67-V98 CarbonylContact O-C 3.51Å; I67-V98 WeakPolarHBondContact O-CA 3.38Å; I69-V98 HydrophobicContact CD1-CG1 3.81Å; V86-V98 HydrophobicContact CG1-CG2 4.19Å; L87-V98 HydrophobicContact CD2-CG2 4.13Å; I95-V98 HydrophobicContact CG2-CG2 4.14Å; V98-L100 HydrophobicContact CG1-CD2 4.3Å; V98-L126 PolarHBondContact N-O 3.07Å; V98-V127 HydrophobicContact CB-CB 4.35Å; V98-V127 HydrophobicContact CB-CG1 4.06Å; V98-V127 HydrophobicContact CB-CG2 4.06Å; V98-V127 HydrophobicContact CG1-CG1 4.15Å; V98-V127 HydrophobicContact CG2-CG2 4.32Å; V98-V127 WeakPolarHBondContact O-CA 3.22Å; V98-W128 PolarHBondContact O-N 2.82Å
99I98.9Very high97.6Very high0 Ų043.5 Ų43.50%021%0.209CC..EExtended strand (participates in β ladder)trans-103.7107.7-176.5-47.3-179.7000108.4I67 I68 I69 E97 V101 W128 I130 A149I67-I99 PolarHBondContact O-N 2.6Å; I68-I99 WeakPolarHBondContact CA-O 3.4Å; I68-I99 HydrophobicContact CG1-CD1 4.43Å; I69-I99 PolarHBondContact N-O 2.8Å; E97-I99 HydrophobicContact CB-CG1 4.5Å; E97-I99 HydrophobicContact CG-CD1 4.1Å; E97-I99 HydrophobicContact CG-CG1 3.88Å; I99-V101 HydrophobicContact CG2-CG2 4.18Å; I99-W128 HydrophobicContact CB-CZ2 4.4Å; I99-W128 HydrophobicContact CD1-CH2 4.29Å; I99-W128 HydrophobicContact CD1-CZ2 3.62Å; I99-W128 HydrophobicContact CG1-CH2 4.47Å; I99-W128 HydrophobicContact CG1-CZ2 3.65Å; I99-W128 HydrophobicContact CG2-CD2 4.49Å; I99-W128 HydrophobicContact CG2-CE3 4.49Å; I99-W128 HydrophobicContact CG2-CH2 4.01Å; I99-W128 HydrophobicContact CG2-CZ2 3.99Å; I99-W128 HydrophobicContact CG2-CZ3 4.28Å; I99-I130 HydrophobicContact CG2-CD1 3.46Å; I99-I130 VanDerWaalsContact CG2-CD1 3.46Å; I99-I130 HydrophobicContact CG2-CG1 4.28Å; I99-A149 HydrophobicContact CD1-CB 3.87Å
100L98.9Very high97.6Very high0 Ų041.5 Ų41.50%020%0.202CC..EExtended strand (participates in β ladder)trans-80.2131.4167.4-52.9-172.2000108.6I69 V71 L79 V83 V98 L114 L118 V127 W128 V129 I130I69-L100 HydrophobicContact CB-CD2 3.78Å; I69-L100 HydrophobicContact CD1-CD2 3.92Å; I69-L100 HydrophobicContact CG1-CD2 4.32Å; I69-L100 HydrophobicContact CG2-CD2 4.21Å; I69-L100 WeakPolarHBondContact O-CA 2.99Å; V71-L100 HydrophobicContact CG2-CB 4.37Å; L79-L100 HydrophobicContact CD1-CD1 4.29Å; L79-L100 HydrophobicContact CD1-CD2 4.17Å; L79-L100 HydrophobicContact CD2-CD1 4.43Å; V83-L100 HydrophobicContact CG2-CD1 4.46Å; V83-L100 HydrophobicContact CG2-CD2 3.9Å; V98-L100 HydrophobicContact CG1-CD2 4.3Å; L100-L114 HydrophobicContact CD1-CD1 4.24Å; L100-L114 HydrophobicContact CD1-CD2 4.26Å; L100-L118 HydrophobicContact CD1-CD1 4.04Å; L100-L118 HydrophobicContact CD1-CD2 4.44Å; L100-V127 HydrophobicContact CG-CG1 4.35Å; L100-W128 PolarHBondContact N-O 3.24Å; L100-V129 HydrophobicContact CB-CB 3.99Å; L100-V129 HydrophobicContact CB-CG2 3.91Å; L100-V129 CarbonylContact O-C 3.38Å; L100-V129 VanDerWaalsContact O-CA 3.28Å; L100-V129 WeakPolarHBondContact O-CA 3.04Å; L100-I130 PolarHBondContact O-N 3.3Å
101V98.8Very high97.6Very high0 Ų043.9 Ų43.90%021%0.211CC..EExtended strand (participates in β ladder)trans-116.395.1175.8-170.20000108.7I68 I69 P70 V71 I99 D103 I130 L132 A141I68-V101 HydrophobicContact CG2-CG2 4.1Å; I69-V101 PolarHBondContact O-N 2.73Å; P70-V101 CarbonylContact C-O 3.51Å; P70-V101 WeakPolarHBondContact CA-O 3.14Å; V71-V101 PolarHBondContact N-O 2.63Å; I99-V101 HydrophobicContact CG2-CG2 4.18Å; V101-D103 PolarHBondContact O-N 2.96Å; V101-D103 VanDerWaalsContact O-N 3.16Å; V101-I130 HydrophobicContact CG2-CD1 4.32Å; V101-L132 HydrophobicContact CG1-CD1 4.19Å; V101-L132 HydrophobicContact CG1-CD2 4.47Å; V101-L132 HydrophobicContact CG1-CG 4.13Å; V101-A141 HydrophobicContact CB-CB 4.35Å; V101-A141 HydrophobicContact CG1-CB 3.91Å; V101-A141 WeakPolarHBondContact CG1-O 3.15Å
102D98.7Very high97.7Very high0 Ų048.7 Ų48.70%023%0.23CC..EExtended strand (participates in β ladder)trans-72105.4173.6172.131.8000110V71 G104 S105 K111 V129 I130 H131 L132V71-D102 CarbonylContact O-C 3.25Å; V71-D102 WeakPolarHBondContact O-CA 3.5Å; D102-G104 PolarHBondContact O-N 3.33Å; D102-S105 WeakPolarHBondContact OD1-CB 3.24Å; D102-S105 PolarHBondContact OD1-N 3.29Å; D102-S105 PolarHBondContact OD1-OG 2.78Å; D102-K111 WeakPolarHBondContact OD2-CE 3.44Å; D102-K111 IonicContact OD2-NZ 3.67Å; D102-K111 PolarHBondContact OD2-NZ 3.07Å; D102-V129 HydrophobicContact CB-CG2 4.25Å; D102-I130 PolarHBondContact N-O 3.15Å; D102-H131 WeakPolarHBondContact CB-ND1 3.13Å; D102-H131 IonicContact OD2-CE1 3.95Å; D102-H131 IonicContact OD2-CG 3.83Å; D102-H131 IonicContact OD2-ND1 2.94Å; D102-H131 PolarHBondContact OD2-ND1 3.23Å; D102-L132 WeakPolarHBondContact O-CB 3.42Å; D102-L132 PolarHBondContact O-N 2.91Å
103D97.8Very high97.8Very high4 Ų450.3 Ų50.32%0.02123%0.23CC..  trans-77.450.5-177.9-172.734000111.7V71 Y72 V101 R135 E136 G137 A141V71-D103 PolarHBondContact O-N 3.32Å; Y72-D103 HydrophobicContact CD2-CB 4.4Å; Y72-D103 VanDerWaalsContact CD2-O 3.25Å; Y72-D103 WeakPolarHBondContact CD2-O 3.41Å; V101-D103 PolarHBondContact O-N 2.96Å; V101-D103 VanDerWaalsContact O-N 3.16Å; D103-R135 VanDerWaalsContact O-CA 3.24Å; D103-R135 WeakPolarHBondContact O-CA 3.41Å; D103-R135 WeakPolarHBondContact O-CB 3.32Å; D103-R135 WeakPolarHBondContact OD2-CG 3.4Å; D103-E136 PolarHBondContact OD1-N 3.11Å; D103-G137 VanDerWaalsContact CG-N 3.34Å; D103-G137 PolarHBondContact OD1-N 3.13Å; D103-G137 VanDerWaalsContact OD1-N 3.07Å; D103-G137 VanDerWaalsContact OD2-C 3.28Å; D103-G137 WeakPolarHBondContact OD2-CA 3.25Å; D103-G137 PolarHBondContact OD2-N 3.27Å; D103-A141 HydrophobicContact CB-CB 3.98Å
104G96.9Very high97.9Very high19 Ų1943.3 Ų43.320%0.19620%0.197CC..SBendtrans6938.2177.200000114.2D102 L132D102-G104 PolarHBondContact O-N 3.33Å; G104-L132 WeakPolarHBondContact CA-O 3.47Å
105S97.3Very high97.9Very high4 Ų445.3 Ų45.33%0.02821%0.208CC..  trans-58.6147.5175.5-55.50000111.9Y72 E73 D102 K111Y72-S105 WeakPolarHBondContact CA-OG 3.49Å; E73-S105 PolarHBondContact N-OG 3.19Å; D102-S105 WeakPolarHBondContact OD1-CB 3.24Å; D102-S105 PolarHBondContact OD1-N 3.29Å; D102-S105 PolarHBondContact OD1-OG 2.78Å; S105-K111 WeakPolarHBondContact O-CE 3.49Å; S105-K111 PolarHBondContact O-NZ 3.32Å
106S95.5Very high97.9Very high85 Ų8549.1 Ų49.159%0.59423%0.228SC*.  trans-92.5-18174.569.20000113.3E73 R108E73-S106 WeakPolarHBondContact OE1-CA 3.23Å; E73-S106 WeakPolarHBondContact OE1-CB 3.35Å; E73-S106 PolarHBondContact OE1-N 2.76Å; E73-S106 PolarHBondContact OE1-OG 3.01Å; S106-R108 PolarHBondContact O-N 2.89Å
107R95.3Very high97.8Very high28 Ų2846.8 Ų46.811%0.10622%0.217CC..  trans-66.8119.3-179.2-49.8-166.7177.5-179.2-7.7111.2F28 N29 E73 E74 Y109 L110 N297F28-R107 PolarHBondContact O-NH2 3.02Å; N29-R107 PolarHBondContact ND2-NH1 3.48Å; N29-R107 VanDerWaalsContact OD1-CZ 3.29Å; N29-R107 PolarHBondContact OD1-NH1 2.87Å; N29-R107 PolarHBondContact OD1-NH2 2.85Å; E73-R107 PolarHBondContact O-NE 3.14Å; E73-R107 PolarHBondContact O-NH1 3.4Å; E73-R107 PolarHBondContact O-NH2 3Å; E73-R107 WeakPolarHBondContact OE2-CD 3.47Å; E73-R107 WeakPolarHBondContact OE2-CG 3.06Å; E73-R107 IonicContact OE2-CZ 2.67Å; E73-R107 IonicContact OE2-NE 3.21Å; E73-R107 PolarHBondContact OE2-NE 2.78Å; E74-R107 PolarHBondContact O-NH1 2.71Å; R107-Y109 HydrophobicContact CB-CD1 4.29Å; R107-Y109 HydrophobicContact CB-CD2 4.5Å; R107-Y109 HydrophobicContact CB-CE1 3.95Å; R107-Y109 HydrophobicContact CB-CE2 4.17Å; R107-Y109 VanDerWaalsContact CD-CZ 3.43Å; R107-Y109 WeakPolarHBondContact CD-OH 3.32Å; R107-Y109 PolarHBondContact NH1-OH 2.82Å; R107-Y109 PolarHBondContact O-N 3.45Å; R107-Y109 VanDerWaalsContact O-N 3.13Å; R107-L110 HydrophobicContact CB-CD1 4.14Å; R107-L110 HydrophobicContact CB-CG 4.29Å; R107-L110 HydrophobicContact CG-CD1 4.49Å; R107-L110 PolarHBondContact O-N 2.81Å; R107-N297 PolarHBondContact NH2-OD1 3.02Å
108R96.3Very high97.8Very high228 Ų22846.4 Ų46.486%0.8622%0.215SC*.G310 helixtrans-54.8-35-176.7-69-174.7173.7-175.8-2.6114S106 L110 K111S106-R108 PolarHBondContact O-N 2.89Å; R108-L110 PolarHBondContact O-N 3.17Å; R108-K111 PolarHBondContact O-N 3.4Å
109Y96.7Very high97.8Very high59 Ų5949.9 Ų49.923%0.23124%0.239CC..G310 helixtrans-70.4-15.8-179.658.6-108.2000113.7E74 W76 R107 K111 L114E74-Y109 VanDerWaalsContact O-CE2 3.3Å; E74-Y109 WeakPolarHBondContact O-CE2 3.39Å; E74-Y109 PolarHBondContact O-OH 3.13Å; E74-Y109 VanDerWaalsContact O-OH 3.14Å; W76-Y109 HydrophobicContact CB-CD2 4.27Å; W76-Y109 HydrophobicContact CB-CE2 4.25Å; W76-Y109 HydrophobicContact CE3-CD2 4.02Å; W76-Y109 WeakPolarHBondContact CZ3-O 3.47Å; R107-Y109 HydrophobicContact CB-CD1 4.29Å; R107-Y109 HydrophobicContact CB-CD2 4.5Å; R107-Y109 HydrophobicContact CB-CE1 3.95Å; R107-Y109 HydrophobicContact CB-CE2 4.17Å; R107-Y109 VanDerWaalsContact CD-CZ 3.43Å; R107-Y109 WeakPolarHBondContact CD-OH 3.32Å; R107-Y109 PolarHBondContact NH1-OH 2.82Å; R107-Y109 PolarHBondContact O-N 3.45Å; R107-Y109 VanDerWaalsContact O-N 3.13Å; Y109-K111 VanDerWaalsContact C-N 3.3Å; Y109-L114 PolarHBondContact O-N 2.79Å
110L98.1Very high97.7Very high0 Ų060.3 Ų60.30%028%0.279CS..G310 helixtrans-908.4174.8-62.1175.6000112.8V71 L79 R107 R108 H131V71-L110 HydrophobicContact CG1-CD1 4.15Å; V71-L110 HydrophobicContact CG1-CD2 4.17Å; L79-L110 HydrophobicContact CD2-CD2 3.82Å; R107-L110 HydrophobicContact CB-CD1 4.14Å; R107-L110 HydrophobicContact CB-CG 4.29Å; R107-L110 HydrophobicContact CG-CD1 4.49Å; R107-L110 PolarHBondContact O-N 2.81Å; R108-L110 PolarHBondContact O-N 3.17Å; L110-H131 PolarHBondContact O-CE1 2.78Å
111K98.1Very high97.7Very high62 Ų6263.2 Ų63.227%0.2730%0.297SS..THydrogen-bonded Turntrans-110.8-120.4177.2-56.7-60.1-173.6-173.70109.5D102 S105 R108 Y109 R113 L114 D115D102-K111 WeakPolarHBondContact OD2-CE 3.44Å; D102-K111 IonicContact OD2-NZ 3.67Å; D102-K111 PolarHBondContact OD2-NZ 3.07Å; S105-K111 WeakPolarHBondContact O-CE 3.49Å; S105-K111 PolarHBondContact O-NZ 3.32Å; R108-K111 PolarHBondContact O-N 3.4Å; Y109-K111 VanDerWaalsContact C-N 3.3Å; K111-R113 VanDerWaalsContact C-N 3.25Å; K111-R113 PolarHBondContact O-N 2.63Å; K111-R113 VanDerWaalsContact O-N 3.07Å; K111-L114 WeakPolarHBondContact O-CA 3.1Å; K111-L114 WeakPolarHBondContact O-CB 3.44Å; K111-L114 PolarHBondContact O-N 3.04Å; K111-D115 PolarHBondContact O-N 2.74Å
112E97.9Very high97.6Very high137 Ų13764.9 Ų64.964%0.6430%0.303SS*.Hα-helixtrans-51-38.5-177.9-171.9-172.5173.800114.1L114 D115 N116E112-L114 VanDerWaalsContact C-N 3.32Å; E112-L114 PolarHBondContact O-N 2.84Å; E112-D115 PolarHBondContact O-N 2.89Å; E112-N116 WeakPolarHBondContact O-CB 3.27Å; E112-N116 VanDerWaalsContact O-CG 3.24Å; E112-N116 PolarHBondContact O-N 2.97Å; E112-N116 PolarHBondContact O-ND2 3.45Å
113R98.2Very high97.5Very high130 Ų13070.2 Ų70.249%0.49134%0.338SS..Hα-helixtrans-63.5-38.7175.9176177.5160.7-179.1-3.3112W76 K111 Y117W76-R113 HydrophobicContact CH2-CG 3.83Å; W76-R113 HydrophobicContact CZ3-CG 3.92Å; K111-R113 VanDerWaalsContact C-N 3.25Å; K111-R113 PolarHBondContact O-N 2.63Å; K111-R113 VanDerWaalsContact O-N 3.07Å; R113-Y117 VanDerWaalsContact O-CB 3.28Å; R113-Y117 WeakPolarHBondContact O-CB 3.38Å; R113-Y117 PolarHBondContact O-N 3.47Å
114L98.6Very high97.4Very high0 Ų073.9 Ų73.90%038%0.377CS..Hα-helixtrans-68.1-45.1176.2-178.359.7000110W76 L79 L100 Y109 K111 E112 N116 Y117 L118 V129W76-L114 HydrophobicContact CH2-CD1 4.36Å; W76-L114 HydrophobicContact CZ3-CB 4.13Å; W76-L114 HydrophobicContact CZ3-CD1 4.11Å; L79-L114 HydrophobicContact CD2-CD1 4.29Å; L79-L114 HydrophobicContact CD2-CD2 4.22Å; L100-L114 HydrophobicContact CD1-CD1 4.24Å; L100-L114 HydrophobicContact CD1-CD2 4.26Å; Y109-L114 PolarHBondContact O-N 2.79Å; K111-L114 WeakPolarHBondContact O-CA 3.1Å; K111-L114 WeakPolarHBondContact O-CB 3.44Å; K111-L114 PolarHBondContact O-N 3.04Å; E112-L114 VanDerWaalsContact C-N 3.32Å; E112-L114 PolarHBondContact O-N 2.84Å; L114-N116 PolarHBondContact O-N 3.44Å; L114-Y117 PolarHBondContact O-N 3.12Å; L114-L118 HydrophobicContact CD1-CD1 4.15Å; L114-L118 HydrophobicContact CD1-CD2 4.43Å; L114-L118 HydrophobicContact CD1-CG 4.06Å; L114-L118 HydrophobicContact CG-CD1 4.07Å; L114-L118 HydrophobicContact CG-CG 4.37Å; L114-L118 VanDerWaalsContact O-CG 3.31Å; L114-L118 WeakPolarHBondContact O-CG 3.12Å; L114-L118 PolarHBondContact O-N 3.31Å; L114-V129 HydrophobicContact CD2-CG2 4.12Å
115D98.3Very high97.4Very high61 Ų6174.8 Ų74.833%0.32639%0.386SS..Hα-helixtrans-55.9-49.9176.3-61.6-30.8000112K111 E112 Y117 L118 S119 V129 H131K111-D115 PolarHBondContact O-N 2.74Å; E112-D115 PolarHBondContact O-N 2.89Å; D115-Y117 VanDerWaalsContact C-N 3.33Å; D115-Y117 PolarHBondContact O-N 2.78Å; D115-L118 PolarHBondContact O-N 3.43Å; D115-S119 WeakPolarHBondContact O-CB 3.34Å; D115-S119 PolarHBondContact O-N 3.09Å; D115-S119 PolarHBondContact O-OG 3.31Å; D115-S119 VanDerWaalsContact O-OG 3.1Å; D115-V129 WeakPolarHBondContact OD1-CG1 3.47Å; D115-H131 IonicContact OD1-CD2 2.78Å; D115-H131 IonicContact OD1-CE1 3.82Å; D115-H131 IonicContact OD1-NE2 3.67Å; D115-H131 PolarHBondContact OD1-NE2 2.9Å; D115-H131 IonicContact OD2-NE2 2.94Å
116N98.4Very high97.4Very high89 Ų8977 Ų7748%0.47640%0.397SS..Hα-helixtrans-65.4-36.3179.1-72.8-24.4000112.3E112 L114 S119 R120E112-N116 WeakPolarHBondContact O-CB 3.27Å; E112-N116 VanDerWaalsContact O-CG 3.24Å; E112-N116 PolarHBondContact O-N 2.97Å; E112-N116 PolarHBondContact O-ND2 3.45Å; L114-N116 PolarHBondContact O-N 3.44Å; N116-S119 PolarHBondContact O-OG 3.06Å; N116-R120 WeakPolarHBondContact O-CB 3.44Å; N116-R120 PolarHBondContact O-N 2.98Å
117Y98.5Very high97.6Very high61 Ų6173.1 Ų73.124%0.23937%0.369CS..Hα-helixtrans-65.6-48.8174.5173.5-95.4000111.1W76 I80 R113 L114 D115 R120 T121 Y122W76-Y117 HydrophobicContact CH2-CD1 4.33Å; W76-Y117 HydrophobicContact CH2-CD2 4.44Å; W76-Y117 AromaticContact CH2-CG 3.9Å; W76-Y117 HydrophobicContact CH2-CG 3.9Å; W76-Y117 HydrophobicContact CZ2-CD1 4.34Å; W76-Y117 AromaticContact CZ2-CD2 3.97Å; W76-Y117 HydrophobicContact CZ2-CD2 3.97Å; W76-Y117 AromaticContact CZ2-CG 3.85Å; W76-Y117 HydrophobicContact CZ2-CG 3.85Å; I80-Y117 HydrophobicContact CD1-CD1 3.86Å; I80-Y117 HydrophobicContact CD1-CE1 3.44Å; I80-Y117 VanDerWaalsContact CD1-CE1 3.44Å; I80-Y117 HydrophobicContact CG1-CE1 4.34Å; I80-Y117 WeakPolarHBondContact CG2-OH 3.43Å; R113-Y117 VanDerWaalsContact O-CB 3.28Å; R113-Y117 WeakPolarHBondContact O-CB 3.38Å; R113-Y117 PolarHBondContact O-N 3.47Å; L114-Y117 PolarHBondContact O-N 3.12Å; D115-Y117 VanDerWaalsContact C-N 3.33Å; D115-Y117 PolarHBondContact O-N 2.78Å; Y117-R120 PolarHBondContact O-N 3.45Å; Y117-T121 VanDerWaalsContact O-CB 3.27Å; Y117-T121 WeakPolarHBondContact O-CB 3.33Å; Y117-T121 PolarHBondContact O-N 3.31Å; Y117-T121 PolarHBondContact O-OG1 3.1Å; Y117-T121 VanDerWaalsContact O-OG1 3.1Å; Y117-Y122 HydrophobicContact CE1-CE2 4.29Å
118L98.4Very high97.7Very high8 Ų875.2 Ų75.24%0.04238%0.377CS..Hα-helixtrans-66.2-43.5-177.9-65.7178.1000112.2L100 L114 D115 R120 T121 Y122 V127 V129L100-L118 HydrophobicContact CD1-CD1 4.04Å; L100-L118 HydrophobicContact CD1-CD2 4.44Å; L114-L118 HydrophobicContact CD1-CD1 4.15Å; L114-L118 HydrophobicContact CD1-CD2 4.43Å; L114-L118 HydrophobicContact CD1-CG 4.06Å; L114-L118 HydrophobicContact CG-CD1 4.07Å; L114-L118 HydrophobicContact CG-CG 4.37Å; L114-L118 VanDerWaalsContact O-CG 3.31Å; L114-L118 WeakPolarHBondContact O-CG 3.12Å; L114-L118 PolarHBondContact O-N 3.31Å; D115-L118 PolarHBondContact O-N 3.43Å; L118-R120 VanDerWaalsContact C-N 3.31Å; L118-R120 PolarHBondContact O-N 2.99Å; L118-T121 PolarHBondContact O-N 3.06Å; L118-Y122 HydrophobicContact CD2-CD2 3.85Å; L118-Y122 HydrophobicContact CD2-CE2 3.99Å; L118-Y122 CarbonylContact O-C 3.48Å; L118-Y122 WeakPolarHBondContact O-CA 3.32Å; L118-Y122 WeakPolarHBondContact O-CB 3.49Å; L118-Y122 PolarHBondContact O-N 3.46Å; L118-V127 HydrophobicContact CD2-CB 4.12Å; L118-V127 HydrophobicContact CD2-CG1 3.63Å; L118-V129 HydrophobicContact CD1-CB 3.84Å; L118-V129 HydrophobicContact CD1-CG1 3.81Å
119S97.6Very high97.9Very high72 Ų7265.6 Ų65.650%0.50334%0.344SS..Hα-helixtrans-63.4-37.5177.863.70000112.2D115 N116 P123D115-S119 WeakPolarHBondContact O-CB 3.34Å; D115-S119 PolarHBondContact O-N 3.09Å; D115-S119 PolarHBondContact O-OG 3.31Å; D115-S119 VanDerWaalsContact O-OG 3.1Å; N116-S119 PolarHBondContact O-OG 3.06Å; S119-P123 WeakPolarHBondContact O-CA 3.37Å
120R98.1Very high97.9Very high220 Ų22064.1 Ų64.183%0.8334%0.34SS*.Hα-helixtrans-73.6-42.9177.1-177.2179.1175.8-176.8-0.2112.8N116 Y117 L118N116-R120 WeakPolarHBondContact O-CB 3.44Å; N116-R120 PolarHBondContact O-N 2.98Å; Y117-R120 PolarHBondContact O-N 3.45Å; L118-R120 VanDerWaalsContact C-N 3.31Å; L118-R120 PolarHBondContact O-N 2.99Å
121T98Very high97.9Very high61 Ų6167.1 Ų67.137%0.37435%0.354SS..Hα-helixtrans-84.9-31.4-173.7-60.50000112.4Y117 L118 P123Y117-T121 VanDerWaalsContact O-CB 3.27Å; Y117-T121 WeakPolarHBondContact O-CB 3.33Å; Y117-T121 PolarHBondContact O-N 3.31Å; Y117-T121 PolarHBondContact O-OG1 3.1Å; Y117-T121 VanDerWaalsContact O-OG1 3.1Å; L118-T121 PolarHBondContact O-N 3.06Å; T121-P123 VanDerWaalsContact C-CD 3.46Å
122Y97.5Very high97.9Very high35 Ų3565.2 Ų65.214%0.13735%0.346CS..  trans-129.860.6-177.2-50.1-70.9000111.4V83 L87 Y117 L118 G124 G125 V127V83-Y122 HydrophobicContact CG1-CE2 4.26Å; L87-Y122 HydrophobicContact CD1-CD1 4.19Å; L87-Y122 HydrophobicContact CD1-CE1 3.33Å; Y117-Y122 HydrophobicContact CE1-CE2 4.29Å; L118-Y122 HydrophobicContact CD2-CD2 3.85Å; L118-Y122 HydrophobicContact CD2-CE2 3.99Å; L118-Y122 CarbonylContact O-C 3.48Å; L118-Y122 WeakPolarHBondContact O-CA 3.32Å; L118-Y122 WeakPolarHBondContact O-CB 3.49Å; L118-Y122 PolarHBondContact O-N 3.46Å; Y122-G124 PolarHBondContact O-N 3.14Å; Y122-G125 PolarHBondContact O-N 3.06Å; Y122-V127 HydrophobicContact CD1-CG2 3.88Å; Y122-V127 HydrophobicContact CD2-CB 3.55Å; Y122-V127 HydrophobicContact CD2-CG1 4.36Å; Y122-V127 HydrophobicContact CD2-CG2 3.67Å; Y122-V127 HydrophobicContact CE1-CG2 3.98Å; Y122-V127 HydrophobicContact CE2-CB 3.95Å; Y122-V127 HydrophobicContact CE2-CG1 4.43Å; Y122-V127 HydrophobicContact CE2-CG2 3.76Å; Y122-V127 HydrophobicContact CG-CB 3.85Å; Y122-V127 HydrophobicContact CG-CG2 3.71Å
123P96.1Very high97.9Very high112 Ų11268.9 Ų68.973%0.72736%0.36SS*.THydrogen-bonded Turntrans-61.4-20.5-17324.9-35.6000114.4S119 T121 G125S119-P123 WeakPolarHBondContact O-CA 3.37Å; T121-P123 VanDerWaalsContact C-CD 3.46Å; P123-G125 PolarHBondContact O-N 2.82Å
124G95.6Very high97.7Very high81 Ų8167.6 Ų67.684%0.83536%0.36SS*.THydrogen-bonded Turntrans-782.2173.200000114.9Y122 L126Y122-G124 PolarHBondContact O-N 3.14Å; G124-L126 VanDerWaalsContact C-N 3.3Å; G124-L126 PolarHBondContact O-N 2.64Å
125G96.7Very high97.5Very high38 Ų3870.5 Ų70.539%0.39237%0.371SS..SBendtrans72.819.4-179.300000114.2Y122 P123 V127 W128Y122-G125 PolarHBondContact O-N 3.06Å; P123-G125 PolarHBondContact O-N 2.82Å; G125-V127 VanDerWaalsContact C-N 3.25Å; G125-V127 PolarHBondContact O-N 3.18Å; G125-W128 VanDerWaalsContact O-CD1 3.29Å
126L98.1Very high97.3Very high51 Ų5170.7 Ų70.727%0.26737%0.37SS..SBendtrans-61.5-37.5177.1-177.864.4000111.5L87 I95 E97 V98 G124L87-L126 HydrophobicContact CD2-CD2 3.9Å; L87-L126 HydrophobicContact CD2-CG 4.41Å; I95-L126 HydrophobicContact CG2-CD1 3.89Å; E97-L126 CarbonylContact C-O 3.46Å; E97-L126 WeakPolarHBondContact CA-O 3.1Å; V98-L126 PolarHBondContact N-O 3.07Å; G124-L126 VanDerWaalsContact C-N 3.3Å; G124-L126 PolarHBondContact O-N 2.64Å
127V98.8Very high97.1Very high2 Ų266.4 Ų66.41%0.01235%0.347CS..EExtended strand (participates in β ladder)trans-120.3125.8172.7-170.70000107.7V83 L87 V98 L100 L118 Y122 G125V83-V127 HydrophobicContact CG1-CB 4.5Å; V83-V127 HydrophobicContact CG1-CG1 3.94Å; V83-V127 HydrophobicContact CG1-CG2 3.84Å; V83-V127 HydrophobicContact CG2-CG1 4.46Å; L87-V127 HydrophobicContact CD1-CG2 3.9Å; V98-V127 HydrophobicContact CB-CB 4.35Å; V98-V127 HydrophobicContact CB-CG1 4.06Å; V98-V127 HydrophobicContact CB-CG2 4.06Å; V98-V127 HydrophobicContact CG1-CG1 4.15Å; V98-V127 HydrophobicContact CG2-CG2 4.32Å; V98-V127 WeakPolarHBondContact O-CA 3.22Å; L100-V127 HydrophobicContact CG-CG1 4.35Å; L118-V127 HydrophobicContact CD2-CB 4.12Å; L118-V127 HydrophobicContact CD2-CG1 3.63Å; Y122-V127 HydrophobicContact CD1-CG2 3.88Å; Y122-V127 HydrophobicContact CD2-CB 3.55Å; Y122-V127 HydrophobicContact CD2-CG1 4.36Å; Y122-V127 HydrophobicContact CD2-CG2 3.67Å; Y122-V127 HydrophobicContact CE1-CG2 3.98Å; Y122-V127 HydrophobicContact CE2-CB 3.95Å; Y122-V127 HydrophobicContact CE2-CG1 4.43Å; Y122-V127 HydrophobicContact CE2-CG2 3.76Å; Y122-V127 HydrophobicContact CG-CB 3.85Å; Y122-V127 HydrophobicContact CG-CG2 3.71Å; G125-V127 VanDerWaalsContact C-N 3.25Å; G125-V127 PolarHBondContact O-N 3.18Å
128W98.5Very high97Very high72 Ų7265.9 Ų65.927%0.27335%0.348SS..EExtended strand (participates in β ladder)trans-145.8163.4-178.160.4-82.8000110.7E97 V98 I99 L100 G125 I130 L148E97-W128 WeakPolarHBondContact OE2-CZ2 3.3Å; E97-W128 PolarHBondContact OE2-NE1 3.3Å; V98-W128 PolarHBondContact O-N 2.82Å; I99-W128 HydrophobicContact CB-CZ2 4.4Å; I99-W128 HydrophobicContact CD1-CH2 4.29Å; I99-W128 HydrophobicContact CD1-CZ2 3.62Å; I99-W128 HydrophobicContact CG1-CH2 4.47Å; I99-W128 HydrophobicContact CG1-CZ2 3.65Å; I99-W128 HydrophobicContact CG2-CD2 4.49Å; I99-W128 HydrophobicContact CG2-CE3 4.49Å; I99-W128 HydrophobicContact CG2-CH2 4.01Å; I99-W128 HydrophobicContact CG2-CZ2 3.99Å; I99-W128 HydrophobicContact CG2-CZ3 4.28Å; L100-W128 PolarHBondContact N-O 3.24Å; G125-W128 VanDerWaalsContact O-CD1 3.29Å; W128-I130 HydrophobicContact CE3-CG1 4.01Å; W128-I130 HydrophobicContact CH2-CD1 3.89Å; W128-I130 HydrophobicContact CH2-CG1 4.07Å; W128-I130 HydrophobicContact CZ3-CD1 3.69Å; W128-I130 HydrophobicContact CZ3-CG1 3.34Å; W128-L148 HydrophobicContact CH2-CB 3.89Å; W128-L148 HydrophobicContact CH2-CD1 4.21Å; W128-L148 HydrophobicContact CZ3-CD1 4.49Å
129V98.7Very high96.9Very high26 Ų2665.5 Ų65.516%0.15835%0.346CS..EExtended strand (participates in β ladder)trans-125.8143.8-172.761.70000111.7L100 D102 L114 D115 L118 H131L100-V129 HydrophobicContact CB-CB 3.99Å; L100-V129 HydrophobicContact CB-CG2 3.91Å; L100-V129 CarbonylContact O-C 3.38Å; L100-V129 VanDerWaalsContact O-CA 3.28Å; L100-V129 WeakPolarHBondContact O-CA 3.04Å; D102-V129 HydrophobicContact CB-CG2 4.25Å; L114-V129 HydrophobicContact CD2-CG2 4.12Å; D115-V129 WeakPolarHBondContact OD1-CG1 3.47Å; L118-V129 HydrophobicContact CD1-CB 3.84Å; L118-V129 HydrophobicContact CD1-CG1 3.81Å; V129-H131 WeakPolarHBondContact CG1-NE2 3.31Å
130I98.3Very high96.9Very high29 Ų2964.7 Ų64.715%0.14933%0.332CS..EExtended strand (participates in β ladder)trans-112126.8167.8-57.1150.4000107.4I99 L100 V101 D102 W128 L132 L148I99-I130 HydrophobicContact CG2-CD1 3.46Å; I99-I130 VanDerWaalsContact CG2-CD1 3.46Å; I99-I130 HydrophobicContact CG2-CG1 4.28Å; L100-I130 PolarHBondContact O-N 3.3Å; V101-I130 HydrophobicContact CG2-CD1 4.32Å; D102-I130 PolarHBondContact N-O 3.15Å; W128-I130 HydrophobicContact CE3-CG1 4.01Å; W128-I130 HydrophobicContact CH2-CD1 3.89Å; W128-I130 HydrophobicContact CH2-CG1 4.07Å; W128-I130 HydrophobicContact CZ3-CD1 3.69Å; W128-I130 HydrophobicContact CZ3-CG1 3.34Å; I130-L132 HydrophobicContact CG2-CD2 4.3Å; I130-L148 HydrophobicContact CD1-CD1 3.42Å; I130-L148 VanDerWaalsContact CD1-CD1 3.42Å; I130-L148 HydrophobicContact CG1-CD1 3.95Å
131H98.5Very high96.9Very high63 Ų6354.2 Ų54.229%0.29229%0.292SS..EExtended strand (participates in β ladder)trans-98.2110.3172.8-62.9-70.5000110.7D102 L110 D115 V129D102-H131 WeakPolarHBondContact CB-ND1 3.13Å; D102-H131 IonicContact OD2-CE1 3.95Å; D102-H131 IonicContact OD2-CG 3.83Å; D102-H131 IonicContact OD2-ND1 2.94Å; D102-H131 PolarHBondContact OD2-ND1 3.23Å; L110-H131 PolarHBondContact O-CE1 2.78Å; D115-H131 IonicContact OD1-CD2 2.78Å; D115-H131 IonicContact OD1-CE1 3.82Å; D115-H131 IonicContact OD1-NE2 3.67Å; D115-H131 PolarHBondContact OD1-NE2 2.9Å; D115-H131 IonicContact OD2-NE2 2.94Å; V129-H131 WeakPolarHBondContact CG1-NE2 3.31Å
132L98.1Very high96.9Very high21 Ų2151.3 Ų51.311%0.1127%0.274CS..  trans-70.1143.5168.6-57.3-171.9000109.9V101 D102 G104 I130 E134 E136 A141V101-L132 HydrophobicContact CG1-CD1 4.19Å; V101-L132 HydrophobicContact CG1-CD2 4.47Å; V101-L132 HydrophobicContact CG1-CG 4.13Å; D102-L132 WeakPolarHBondContact O-CB 3.42Å; D102-L132 PolarHBondContact O-N 2.91Å; G104-L132 WeakPolarHBondContact CA-O 3.47Å; I130-L132 HydrophobicContact CG2-CD2 4.3Å; L132-E134 VanDerWaalsContact C-N 3.29Å; L132-E134 PolarHBondContact O-N 2.63Å; L132-E136 HydrophobicContact CD1-CB 4.33Å; L132-E136 HydrophobicContact CD1-CG 4.25Å; L132-A141 HydrophobicContact CD1-CB 4.39Å
133K95.9Very high96.9Very high215 Ų21550.1 Ų50.194%0.93527%0.27SS*.SBendtrans-65.8-33.4-176.2-67.4-175.9179.6-179.70112.5
134E94.7Very high97Very high102 Ų10245.9 Ų45.948%0.47724%0.243SC..SBendtrans-145.5169.1176.764.1174.6177.100110.3L132 E136 K302L132-E134 VanDerWaalsContact C-N 3.29Å; L132-E134 PolarHBondContact O-N 2.63Å; E134-E136 PolarHBondContact O-N 2.95Å; E134-K302 IonicContact OE2-NZ 2.66Å; E134-K302 PolarHBondContact OE2-NZ 3.04Å
135R94.6Very high97.2Very high62 Ų6242 Ų4223%0.23420%0.203CC..  trans-70.5109.7177.5-170.9-161.7-172.2-176.5-0.9111.3Y72 D103 P299 P301Y72-R135 HydrophobicContact CD2-CG 3.99Å; Y72-R135 HydrophobicContact CE2-CB 3.97Å; Y72-R135 HydrophobicContact CE2-CG 3.63Å; Y72-R135 WeakPolarHBondContact OH-CD 3.3Å; D103-R135 VanDerWaalsContact O-CA 3.24Å; D103-R135 WeakPolarHBondContact O-CA 3.41Å; D103-R135 WeakPolarHBondContact O-CB 3.32Å; D103-R135 WeakPolarHBondContact OD2-CG 3.4Å; R135-P299 PolarHBondContact NH1-O 2.95Å; R135-P301 VanDerWaalsContact NH1-CD 3.35Å
136E93.8Very high97.3Very high64 Ų6440.2 Ų40.230%0.29919%0.185SC..  trans-95.3-26.6175.3-64.1-163.5-165.300112.7D103 L132 E134 R140D103-E136 PolarHBondContact OD1-N 3.11Å; L132-E136 HydrophobicContact CD1-CB 4.33Å; L132-E136 HydrophobicContact CD1-CG 4.25Å; E134-E136 PolarHBondContact O-N 2.95Å; E136-R140 HydrophobicContact CB-CB 3.7Å; E136-R140 HydrophobicContact CB-CG 4.46Å
137G95.1Very high97.3Very high0 Ų044.6 Ų44.60%020%0.202CC..  trans113156.9-178.100000114.7D103 I139 R140 A141 I260D103-G137 VanDerWaalsContact CG-N 3.34Å; D103-G137 PolarHBondContact OD1-N 3.13Å; D103-G137 VanDerWaalsContact OD1-N 3.07Å; D103-G137 VanDerWaalsContact OD2-C 3.28Å; D103-G137 WeakPolarHBondContact OD2-CA 3.25Å; D103-G137 PolarHBondContact OD2-N 3.27Å; G137-I139 PolarHBondContact O-N 2.93Å; G137-I139 VanDerWaalsContact O-N 3.13Å; G137-R140 PolarHBondContact O-N 3.31Å; G137-A141 WeakPolarHBondContact O-CB 3.45Å; G137-A141 PolarHBondContact O-N 2.97Å; G137-I260 CarbonylContact C-O 3.6Å
138L95.7Very high97.3Very high49 Ų4948.9 Ų48.926%0.25722%0.224SC..Hα-helixtrans-42.2-50.2174.6-177.473.9000112.6P70 R140 R142 I260 W261P70-L138 HydrophobicContact CB-CD1 3.94Å; P70-L138 HydrophobicContact CG-CD1 3.37Å; L138-R140 PolarHBondContact O-N 3.22Å; L138-R142 WeakPolarHBondContact O-CB 3.43Å; L138-R142 VanDerWaalsContact O-CG 3.27Å; L138-R142 WeakPolarHBondContact O-CG 3.37Å; L138-R142 PolarHBondContact O-N 3.47Å; L138-I260 WeakPolarHBondContact CA-O 3.36Å; L138-I260 VanDerWaalsContact CB-O 3.26Å; L138-I260 WeakPolarHBondContact CB-O 3.45Å; L138-I260 PolarHBondContact N-O 3.24Å; L138-W261 HydrophobicContact CB-CB 4.37Å; L138-W261 HydrophobicContact CD2-CB 4.3Å
139I96.9Very high97.3Very high0 Ų045.8 Ų45.80%021%0.214CC..Hα-helixtrans-61.8-46.1-175.4-53.5170.2000110.9G137 L143 Y254 L258 I260 E264G137-I139 PolarHBondContact O-N 2.93Å; G137-I139 VanDerWaalsContact O-N 3.13Å; I139-L143 WeakPolarHBondContact O-CG 3.35Å; I139-L143 PolarHBondContact O-N 3.33Å; I139-Y254 HydrophobicContact CG2-CD2 3.9Å; I139-Y254 HydrophobicContact CG2-CG 3.84Å; I139-L258 HydrophobicContact CD1-CB 3.58Å; I139-L258 HydrophobicContact CG2-CB 4.28Å; I139-I260 PolarHBondContact N-O 2.84Å; I139-E264 HydrophobicContact CD1-CB 3.87Å; I139-E264 HydrophobicContact CD1-CG 4.26Å; I139-E264 WeakPolarHBondContact CD1-OE2 3.27Å; I139-E264 HydrophobicContact CG1-CB 3.87Å; I139-E264 HydrophobicContact CG1-CG 3.87Å; I139-E264 HydrophobicContact CG2-CB 4.18Å
140R96.8Very high97.3Very high55 Ų5548.2 Ų48.221%0.20823%0.229CC..Hα-helixtrans-80.1-31.8-176.9-70.5-178.4174.2-167.8-6.9113E136 G137 L138 R142 L143 S144 P256 H259E136-R140 HydrophobicContact CB-CB 3.7Å; E136-R140 HydrophobicContact CB-CG 4.46Å; G137-R140 PolarHBondContact O-N 3.31Å; L138-R140 PolarHBondContact O-N 3.22Å; R140-R142 VanDerWaalsContact C-N 3.33Å; R140-L143 PolarHBondContact O-N 3.17Å; R140-S144 WeakPolarHBondContact O-CB 3.48Å; R140-S144 PolarHBondContact O-N 3.47Å; R140-S144 PolarHBondContact O-OG 3.4Å; R140-P256 PolarHBondContact NE-O 3.4Å; R140-P256 PolarHBondContact NH2-O 3.45Å; R140-H259 PolarHBondContact NH2-CE1 3.39Å
141A98.1Very high97.3Very high0 Ų046.9 Ų46.90%022%0.223CC..Hα-helixtrans-59.1-47.3168.800000110.3P70 V101 D103 L132 G137 L143 S144 G145P70-A141 HydrophobicContact CB-CB 3.86Å; V101-A141 HydrophobicContact CB-CB 4.35Å; V101-A141 HydrophobicContact CG1-CB 3.91Å; V101-A141 WeakPolarHBondContact CG1-O 3.15Å; D103-A141 HydrophobicContact CB-CB 3.98Å; L132-A141 HydrophobicContact CD1-CB 4.39Å; G137-A141 WeakPolarHBondContact O-CB 3.45Å; G137-A141 PolarHBondContact O-N 2.97Å; A141-L143 PolarHBondContact O-N 2.81Å; A141-S144 WeakPolarHBondContact O-CB 3.49Å; A141-S144 PolarHBondContact O-N 2.92Å; A141-S144 VanDerWaalsContact O-N 3.14Å; A141-G145 PolarHBondContact O-N 2.81Å
142R98.4Very high97.3Very high1 Ų147.9 Ų47.90%0.00423%0.23CC..Hα-helixtrans-60.4-44.4174.1-73.2179.1179.7-178.2-1.8112.8P70 L138 R140 S144 G145 A146 F156 D158 G238 G239 Y254P70-R142 HydrophobicContact CB-CG 4.33Å; P70-R142 HydrophobicContact CG-CG 3.88Å; L138-R142 WeakPolarHBondContact O-CB 3.43Å; L138-R142 VanDerWaalsContact O-CG 3.27Å; L138-R142 WeakPolarHBondContact O-CG 3.37Å; L138-R142 PolarHBondContact O-N 3.47Å; R140-R142 VanDerWaalsContact C-N 3.33Å; R142-S144 VanDerWaalsContact C-N 3.28Å; R142-S144 PolarHBondContact O-N 2.91Å; R142-G145 PolarHBondContact O-N 2.99Å; R142-A146 VanDerWaalsContact O-CB 3.29Å; R142-A146 WeakPolarHBondContact O-CB 3.5Å; R142-A146 PolarHBondContact O-N 3.25Å; R142-F156 HydrophobicContact CB-CD1 3.79Å; R142-F156 HydrophobicContact CB-CE1 3.64Å; R142-F156 HydrophobicContact CG-CD1 3.67Å; R142-F156 HydrophobicContact CG-CE1 4.08Å; R142-D158 IonicContact NH2-OD1 2.81Å; R142-D158 PolarHBondContact NH2-OD1 2.88Å; R142-G238 PolarHBondContact NH1-O 3.48Å; R142-G238 PolarHBondContact NH2-O 2.04Å; R142-G239 PolarHBondContact NH2-O 3.33Å; R142-Y254 HydrophobicContact CB-CE2 4.29Å
143L98.3Very high97.4Very high10 Ų1047 Ų475%0.05223%0.226CC..Hα-helixtrans-59.6-38.8174.2-76174.4000112.4I139 R140 A141 A146 K147 F248 W249 Y254 P256I139-L143 WeakPolarHBondContact O-CG 3.35Å; I139-L143 PolarHBondContact O-N 3.33Å; R140-L143 PolarHBondContact O-N 3.17Å; A141-L143 PolarHBondContact O-N 2.81Å; L143-A146 PolarHBondContact O-N 2.92Å; L143-K147 VanDerWaalsContact O-CG 3.26Å; L143-K147 WeakPolarHBondContact O-CG 3.31Å; L143-K147 PolarHBondContact O-N 3.04Å; L143-F248 HydrophobicContact CD2-CE1 4.07Å; L143-F248 HydrophobicContact CD2-CZ 3.92Å; L143-W249 HydrophobicContact CD2-CH2 4.38Å; L143-Y254 HydrophobicContact CD2-CD2 4.21Å; L143-Y254 HydrophobicContact CG-CD2 4.17Å; L143-P256 HydrophobicContact CD1-CB 4.26Å
144S98.5Very high97.5Very high22 Ų2236.8 Ų36.815%0.15418%0.181CC..Hα-helixtrans-66.1-44.8179.7-61.90000111.6R140 A141 R142 K147R140-S144 WeakPolarHBondContact O-CB 3.48Å; R140-S144 PolarHBondContact O-N 3.47Å; R140-S144 PolarHBondContact O-OG 3.4Å; A141-S144 WeakPolarHBondContact O-CB 3.49Å; A141-S144 PolarHBondContact O-N 2.92Å; A141-S144 VanDerWaalsContact O-N 3.14Å; R142-S144 VanDerWaalsContact C-N 3.28Å; R142-S144 PolarHBondContact O-N 2.91Å; S144-K147 PolarHBondContact O-N 2.82Å
145G98.7Very high97.7Very high0 Ų032 Ų320%016%0.159CC..Hα-helixtrans-62.7-44171.800000112.2A141 R142 K147 L148 A149A141-G145 PolarHBondContact O-N 2.81Å; R142-G145 PolarHBondContact O-N 2.99Å; G145-K147 VanDerWaalsContact C-N 3.28Å; G145-K147 PolarHBondContact O-N 2.84Å; G145-L148 PolarHBondContact O-N 3.01Å; G145-L148 VanDerWaalsContact O-N 3.16Å; G145-A149 WeakPolarHBondContact O-CB 3.48Å; G145-A149 PolarHBondContact O-N 2.81Å
146A98.7Very high97.9Very high0 Ų029 Ų290%015%0.147CC..Hα-helixtrans-61.7-32.8-179.900000113.5I68 R142 L143 L148 L154 F156 F248 W249I68-A146 HydrophobicContact CD1-CB 3.94Å; R142-A146 VanDerWaalsContact O-CB 3.29Å; R142-A146 WeakPolarHBondContact O-CB 3.5Å; R142-A146 PolarHBondContact O-N 3.25Å; L143-A146 PolarHBondContact O-N 2.92Å; A146-L148 VanDerWaalsContact C-N 3.32Å; A146-L154 HydrophobicContact CB-CD1 3.95Å; A146-F156 HydrophobicContact CB-CE1 4.36Å; A146-F156 HydrophobicContact CB-CZ 4.09Å; A146-F248 HydrophobicContact CB-CD1 4.47Å; A146-F248 HydrophobicContact CB-CE1 3.89Å; A146-F248 HydrophobicContact CB-CZ 4.49Å; A146-W249 HydrophobicContact CB-CH2 4.38Å; A146-W249 HydrophobicContact CB-CZ2 3.9Å
147K98.5Very high98.1Very high143 Ų14326 Ų2662%0.62213%0.133SC*.Hα-helixtrans-67.5-32.4178-77.6170-174.51760112.8L143 S144 G145 W249L143-K147 VanDerWaalsContact O-CG 3.26Å; L143-K147 WeakPolarHBondContact O-CG 3.31Å; L143-K147 PolarHBondContact O-N 3.04Å; S144-K147 PolarHBondContact O-N 2.82Å; G145-K147 VanDerWaalsContact C-N 3.28Å; G145-K147 PolarHBondContact O-N 2.84Å; K147-W249 HydrophobicContact CG-CH2 3.73Å; K147-W249 HydrophobicContact CG-CZ2 4.01Å
148L98.5Very high98.3Very high92 Ų9227 Ų2748%0.48214%0.139SC..Hα-helixtrans-95.6-16.1-177.6-63.9171.9000112.7W128 I130 G145 A146W128-L148 HydrophobicContact CH2-CB 3.89Å; W128-L148 HydrophobicContact CH2-CD1 4.21Å; W128-L148 HydrophobicContact CZ3-CD1 4.49Å; I130-L148 HydrophobicContact CD1-CD1 3.42Å; I130-L148 VanDerWaalsContact CD1-CD1 3.42Å; I130-L148 HydrophobicContact CG1-CD1 3.95Å; G145-L148 PolarHBondContact O-N 3.01Å; G145-L148 VanDerWaalsContact O-N 3.16Å; A146-L148 VanDerWaalsContact C-N 3.32Å
149A98.7Very high98.4Very high8 Ų825 Ų257%0.06613%0.129CC..  trans-60.2134.2176.900000113.3I68 E97 I99 G145 L154 R245I68-A149 HydrophobicContact CD1-CB 4.29Å; E97-A149 WeakPolarHBondContact OE1-CA 3.23Å; I99-A149 HydrophobicContact CD1-CB 3.87Å; G145-A149 WeakPolarHBondContact O-CB 3.48Å; G145-A149 PolarHBondContact O-N 2.81Å; A149-L154 HydrophobicContact CB-CD2 3.37Å; A149-R245 WeakPolarHBondContact O-CD 3.43Å
150T98.5Very high98.5Very high76 Ų7626 Ų2647%0.46613%0.134SC..  trans-108.7-17.9-176.560.10000114S66 K96 E97S66-T150 PolarHBondContact OG-N 2.81Å; K96-T150 WeakPolarHBondContact CE-OG1 3.43Å; K96-T150 WeakPolarHBondContact CG-OG1 3.5Å; E97-T150 PolarHBondContact OE1-N 2.63Å; E97-T150 PolarHBondContact OE1-OG1 3.01Å
151G98.7Very high98.5Very high2 Ų223.5 Ų23.52%0.02113%0.125CC..SBendtrans-62.6158.8176.500000113.3L64 S66 V153 R245L64-G151 CarbonylContact O-C 3.37Å; S66-G151 WeakPolarHBondContact OG-CA 3.43Å; S66-G151 PolarHBondContact OG-N 3.38Å; G151-V153 VanDerWaalsContact C-N 3.32Å; G151-R245 VanDerWaalsContact O-CD 3.28Å; G151-R245 WeakPolarHBondContact O-CD 3.43Å; G151-R245 PolarHBondContact O-NE 3.38Å
152D98.8Very high98.6Very high84 Ų8423.6 Ų23.645%0.44913%0.125SC..SBendtrans-73.3-28.5-179.9-59.8-52.9000112.2P63 L64 R245P63-D152 HydrophobicContact CB-CB 3.74Å; L64-D152 PolarHBondContact N-OD2 2.94Å; L64-D152 PolarHBondContact O-N 3.45Å; D152-R245 WeakPolarHBondContact O-CB 3.45Å; D152-R245 PolarHBondContact O-N 3.21Å
153V98.9Very high98.6Very high2 Ų223.6 Ų23.61%0.01213%0.125CC..EExtended strand (participates in β ladder)trans-122135.1177.1170.70000109.7P63 L64 V65 S66 G151 I155 L172 I175 A242 I243P63-V153 HydrophobicContact CB-CG2 3.89Å; P63-V153 HydrophobicContact CG-CG2 3.58Å; L64-V153 PolarHBondContact O-N 2.93Å; L64-V153 VanDerWaalsContact O-N 3.12Å; V65-V153 VanDerWaalsContact CA-O 3.32Å; V65-V153 WeakPolarHBondContact CA-O 3.43Å; V65-V153 HydrophobicContact CG1-CB 3.97Å; V65-V153 HydrophobicContact CG1-CG1 4.12Å; S66-V153 PolarHBondContact N-O 2.86Å; G151-V153 VanDerWaalsContact C-N 3.32Å; V153-I155 HydrophobicContact CG1-CG1 4.19Å; V153-L172 HydrophobicContact CB-CD2 4.19Å; V153-L172 HydrophobicContact CG1-CD2 3.76Å; V153-L172 HydrophobicContact CG2-CD2 4.34Å; V153-I175 HydrophobicContact CG1-CD1 4.11Å; V153-I175 HydrophobicContact CG2-CG2 3.86Å; V153-A242 HydrophobicContact CG1-CB 4.12Å; V153-I243 WeakPolarHBondContact CA-O 3.04Å
154L98.9Very high98.5Very high0 Ų023.1 Ų23.10%012%0.122CC..EExtended strand (participates in β ladder)trans-94130.8171-53.1174.2000108.3I68 A146 A149 F156 A242 I243 R245 F248I68-L154 HydrophobicContact CD1-CB 4.26Å; I68-L154 HydrophobicContact CD1-CD2 3.93Å; I68-L154 HydrophobicContact CD1-CG 4.49Å; A146-L154 HydrophobicContact CB-CD1 3.95Å; A149-L154 HydrophobicContact CB-CD2 3.37Å; L154-F156 HydrophobicContact CB-CE2 3.95Å; L154-F156 HydrophobicContact CB-CZ 4.27Å; L154-F156 HydrophobicContact CD1-CE2 4.43Å; L154-F156 HydrophobicContact CD1-CZ 4.23Å; L154-A242 CarbonylContact O-C 3.58Å; L154-A242 WeakPolarHBondContact O-CA 3.22Å; L154-I243 HydrophobicContact CB-CG2 4.15Å; L154-I243 PolarHBondContact N-O 3.16Å; L154-I243 PolarHBondContact O-N 3.36Å; L154-R245 HydrophobicContact CD1-CB 4.28Å; L154-R245 HydrophobicContact CD1-CG 4.19Å; L154-R245 HydrophobicContact CD2-CB 4.1Å; L154-R245 HydrophobicContact CD2-CG 4.02Å; L154-R245 HydrophobicContact CG-CB 3.87Å; L154-R245 HydrophobicContact CG-CG 4.13Å; L154-F248 HydrophobicContact CD1-CB 4.01Å; L154-F248 HydrophobicContact CD1-CD1 3.78Å; L154-F248 HydrophobicContact CD1-CE1 4.41Å; L154-F248 HydrophobicContact CD1-CG 3.9Å
155I98.9Very high98.4Very high1 Ų124.7 Ų24.71%0.00513%0.131CC..EExtended strand (participates in β ladder)trans-117.2121.6169.7-55.1-172.7000108.1V65 S66 I67 I68 V153 L157 W167 L168 L172 F241 A242V65-I155 HydrophobicContact CB-CD1 4.08Å; V65-I155 HydrophobicContact CB-CG1 4.3Å; V65-I155 HydrophobicContact CG1-CD1 3.84Å; V65-I155 HydrophobicContact CG1-CG1 4.23Å; V65-I155 HydrophobicContact CG2-CD1 4.34Å; S66-I155 PolarHBondContact O-N 3.28Å; I67-I155 CarbonylContact C-O 3.58Å; I67-I155 WeakPolarHBondContact CA-O 3.45Å; I67-I155 HydrophobicContact CG1-CB 4.31Å; I68-I155 PolarHBondContact N-O 2.83Å; V153-I155 HydrophobicContact CG1-CG1 4.19Å; I155-L157 HydrophobicContact CG2-CD2 4.26Å; I155-L157 HydrophobicContact CG2-CG 4.12Å; I155-W167 HydrophobicContact CD1-CH2 4.11Å; I155-W167 HydrophobicContact CD1-CZ3 4.39Å; I155-W167 HydrophobicContact CG2-CH2 4.05Å; I155-W167 HydrophobicContact CG2-CZ3 4.09Å; I155-L168 HydrophobicContact CD1-CD1 3.26Å; I155-L172 HydrophobicContact CD1-CD2 4.44Å; I155-F241 WeakPolarHBondContact CA-O 3.45Å; I155-A242 HydrophobicContact CD1-CB 4.29Å; I155-A242 HydrophobicContact CG1-CB 3.81Å
156F98.8Very high98.2Very high0 Ų027.3 Ų27.30%015%0.145CC..EExtended strand (participates in β ladder)trans-96129.2173.5-61-84.2000108.9I68 R142 A146 L154 L240 F241 I243 F248I68-F156 HydrophobicContact CB-CD1 3.9Å; I68-F156 HydrophobicContact CB-CE1 4.05Å; I68-F156 HydrophobicContact CD1-CD1 4.21Å; I68-F156 HydrophobicContact CD1-CE1 3.59Å; I68-F156 HydrophobicContact CD1-CZ 3.94Å; I68-F156 HydrophobicContact CG1-CE1 4.46Å; I68-F156 HydrophobicContact CG2-CD1 4.02Å; I68-F156 HydrophobicContact CG2-CE1 4.05Å; I68-F156 WeakPolarHBondContact O-CA 3.32Å; R142-F156 HydrophobicContact CB-CD1 3.79Å; R142-F156 HydrophobicContact CB-CE1 3.64Å; R142-F156 HydrophobicContact CG-CD1 3.67Å; R142-F156 HydrophobicContact CG-CE1 4.08Å; A146-F156 HydrophobicContact CB-CE1 4.36Å; A146-F156 HydrophobicContact CB-CZ 4.09Å; L154-F156 HydrophobicContact CB-CE2 3.95Å; L154-F156 HydrophobicContact CB-CZ 4.27Å; L154-F156 HydrophobicContact CD1-CE2 4.43Å; L154-F156 HydrophobicContact CD1-CZ 4.23Å; F156-L240 WeakPolarHBondContact O-CA 3.36Å; F156-F241 HydrophobicContact CB-CD1 4.15Å; F156-F241 HydrophobicContact CB-CE1 3.8Å; F156-F241 HydrophobicContact CB-CZ 4.27Å; F156-F241 HydrophobicContact CD2-CD1 4.25Å; F156-F241 HydrophobicContact CD2-CD2 4.15Å; F156-F241 AromaticContact CD2-CE1 3.56Å; F156-F241 HydrophobicContact CD2-CE1 3.56Å; F156-F241 AromaticContact CD2-CE2 3.44Å; F156-F241 HydrophobicContact CD2-CE2 3.44Å; F156-F241 VanDerWaalsContact CD2-CE2 3.44Å; F156-F241 AromaticContact CD2-CZ 3.1Å; F156-F241 HydrophobicContact CD2-CZ 3.1Å; F156-F241 HydrophobicContact CE2-CE1 4.39Å; F156-F241 AromaticContact CE2-CE2 3.75Å; F156-F241 HydrophobicContact CE2-CE2 3.75Å; F156-F241 AromaticContact CE2-CZ 3.54Å; F156-F241 HydrophobicContact CE2-CZ 3.54Å; F156-F241 AromaticContact CG-CE1 3.89Å; F156-F241 HydrophobicContact CG-CE1 3.89Å; F156-F241 AromaticContact CG-CZ 3.86Å; F156-F241 HydrophobicContact CG-CZ 3.86Å; F156-F241 PolarHBondContact N-O 2.89Å; F156-F241 PolarHBondContact O-N 2.99Å; F156-I243 HydrophobicContact CE2-CG2 4.11Å; F156-F248 HydrophobicContact CE2-CD2 4.46Å; F156-F248 HydrophobicContact CE2-CE2 4.2Å; F156-F248 HydrophobicContact CZ-CE2 4.15Å; F156-F248 HydrophobicContact CZ-CZ 4.14Å
157L98.7Very high98.2Very high1 Ų127.3 Ų27.31%0.00515%0.145CC..  trans-132.6144.1173.1-63.4177.9000109.7I67 I68 I69 P70 V86 I155 T163 W167 L240 V287I67-L157 HydrophobicContact CG2-CD1 3.86Å; I67-L157 HydrophobicContact CG2-CG 4.22Å; I68-L157 PolarHBondContact O-N 3Å; I68-L157 VanDerWaalsContact O-N 3.15Å; I69-L157 WeakPolarHBondContact CA-O 3.3Å; I69-L157 HydrophobicContact CG1-CB 4.3Å; P70-L157 WeakPolarHBondContact CD-O 3.39Å; V86-L157 HydrophobicContact CG2-CD1 3.57Å; I155-L157 HydrophobicContact CG2-CD2 4.26Å; I155-L157 HydrophobicContact CG2-CG 4.12Å; L157-T163 HydrophobicContact CD1-CG2 4.16Å; L157-W167 HydrophobicContact CD1-CH2 3.93Å; L157-W167 HydrophobicContact CD1-CZ3 4.41Å; L157-W167 HydrophobicContact CD2-CZ3 4.33Å; L157-L240 HydrophobicContact CB-CD2 4.26Å; L157-L240 HydrophobicContact CD2-CB 4.17Å; L157-L240 HydrophobicContact CD2-CD2 3.85Å; L157-L240 HydrophobicContact CD2-CG 4.46Å; L157-V287 HydrophobicContact CD2-CG1 4.42Å
158D98.1Very high98.2Very high22 Ų2220.5 Ų20.512%0.11812%0.116CC..  trans-75.2157.4170.9-69.1-16.8000111.1R142 H160 L240 H289R142-D158 IonicContact NH2-OD1 2.81Å; R142-D158 PolarHBondContact NH2-OD1 2.88Å; D158-H160 PolarHBondContact O-N 3.02Å; D158-L240 HydrophobicContact CB-CD2 4.35Å; D158-H289 IonicContact OD2-CD2 3.7Å; D158-H289 IonicContact OD2-NE2 2.69Å; D158-H289 PolarHBondContact OD2-NE2 3.01Å
159S98.2Very high98.2Very high7 Ų716.5 Ų16.55%0.04910%0.095CC..SBendtrans-74.48.5-173.854.20000116P70 E74 T78 L79 T82P70-S159 WeakPolarHBondContact O-CB 3.47Å; P70-S159 PolarHBondContact O-OG 3.39Å; E74-S159 WeakPolarHBondContact CG-OG 3.25Å; E74-S159 PolarHBondContact OE2-OG 3.1Å; T78-S159 CarbonylContact C-O 3.54Å; L79-S159 WeakPolarHBondContact CA-O 3.44Å; L79-S159 PolarHBondContact N-O 3.39Å; T82-S159 VanDerWaalsContact OG1-C 3.27Å; T82-S159 PolarHBondContact OG1-O 3.29Å
160H97.9Very high98.2Very high21 Ų2116.3 Ų16.310%0.0979%0.093CC..SBendtrans-13751.7-17743.7-85.2000110.3F31 E74 T82 D158 H289 I290 R292F31-H160 HydrophobicContact CE1-CB 4.5Å; E74-H160 IonicContact OE2-CE1 3.04Å; E74-H160 IonicContact OE2-CG 3.88Å; E74-H160 IonicContact OE2-ND1 2.64Å; E74-H160 PolarHBondContact OE2-ND1 3.13Å; T82-H160 PolarHBondContact OG1-N 3.43Å; D158-H160 PolarHBondContact O-N 3.02Å; H160-H289 AromaticContact CD2-CE1 3.57Å; H160-H289 AromaticContact CD2-NE2 3.63Å; H160-H289 AromaticContact NE2-CE1 3.3Å; H160-H289 PolarHBondContact NE2-CE1 2.85Å; H160-H289 VanDerWaalsContact NE2-CE1 3.3Å; H160-H289 AromaticContact NE2-NE2 3.28Å; H160-H289 PolarHBondContact NE2-NE2 3.13Å; H160-I290 HydrophobicContact CB-CB 4.27Å; H160-I290 HydrophobicContact CB-CD1 4.04Å; H160-I290 HydrophobicContact CB-CG1 4.3Å; H160-I290 PolarHBondContact CD2-O 3.04Å; H160-I290 VanDerWaalsContact CD2-O 3.27Å; H160-I290 PolarHBondContact O-N 2.71Å; H160-I290 VanDerWaalsContact O-N 3.14Å; H160-R292 PolarHBondContact CE1-NH2 3.34Å; H160-R292 PolarHBondContact ND1-NH2 3.48Å; H160-R292 VanDerWaalsContact ND1-NH2 3.13Å
161C98.6Very high98.2Very high2 Ų212.8 Ų12.81%0.0147%0.071CC..EExtended strand (participates in β ladder)trans-119.4160-178.1-76.20000112.6T82 L240 V287 G288 H289T82-C161 WeakPolarHBondContact CA-O 3.2Å; T82-C161 HydrophobicContact CG2-CB 4.07Å; T82-C161 PolarHBondContact OG1-N 3.09Å; T82-C161 PolarHBondContact OG1-O 2.84Å; T82-C161 VanDerWaalsContact OG1-O 3.06Å; C161-L240 VanDerWaalsContact SG-CD2 3.55Å; C161-V287 HydrophobicContact CB-CG1 3.85Å; C161-G288 CarbonylContact C-O 3.23Å; C161-G288 WeakPolarHBondContact CA-O 3.47Å; C161-G288 WeakPolarHBondContact CB-O 3.49Å; C161-H289 VanDerWaalsContact SG-CD2 3.53Å
162E98.6Very high98.2Very high2 Ų212.7 Ų12.71%0.0097%0.07CC..EExtended strand (participates in β ladder)trans-135115165.3-73-178.5-107.100109.5R43 R81 S85 R89 I190 Y197 G288R43-E162 IonicContact CZ-OE1 2.83Å; R43-E162 VanDerWaalsContact CZ-OE1 3.23Å; R43-E162 IonicContact CZ-OE2 3.76Å; R43-E162 IonicContact NE-OE1 3.74Å; R43-E162 PolarHBondContact NE-OE1 3.16Å; R43-E162 VanDerWaalsContact NE-OE1 3.07Å; R43-E162 IonicContact NE-OE2 3.8Å; R43-E162 PolarHBondContact NE-OE2 2.65Å; R43-E162 IonicContact NH2-OE1 2.58Å; R43-E162 PolarHBondContact NH2-OE1 3.37Å; R43-E162 IonicContact NH2-OE2 3.77Å; R81-E162 WeakPolarHBondContact CD-OE1 3.49Å; R81-E162 HydrophobicContact CG-CG 3.76Å; S85-E162 WeakPolarHBondContact OG-CA 3.29Å; R89-E162 IonicContact NH2-OE2 3.85Å; E162-I190 HydrophobicContact CB-CD1 3.91Å; E162-I190 HydrophobicContact CG-CD1 3.93Å; E162-Y197 HydrophobicContact CB-CD2 4.43Å; E162-Y197 HydrophobicContact CB-CE2 4.29Å; E162-G288 PolarHBondContact N-O 3.25Å; E162-G288 PolarHBondContact O-N 2.78Å
163T98.6Very high98.2Very high0 Ų09.4 Ų9.40%05%0.053CC..EExtended strand (participates in β ladder)trans-71.3146.9179.558.90000111.2S85 V86 R89 L157 W167 V287S85-T163 PolarHBondContact O-OG1 3.42Å; S85-T163 PolarHBondContact OG-N 3.14Å; S85-T163 VanDerWaalsContact OG-N 3.14Å; V86-T163 HydrophobicContact CG2-CG2 3.76Å; V86-T163 PolarHBondContact N-OG1 2.86Å; R89-T163 WeakPolarHBondContact CD-O 3.31Å; R89-T163 PolarHBondContact NH1-O 3.18Å; L157-T163 HydrophobicContact CD1-CG2 4.16Å; T163-W167 VanDerWaalsContact CB-CD1 3.47Å; T163-W167 HydrophobicContact CG2-CD2 3.65Å; T163-W167 VanDerWaalsContact CG2-CE2 3.44Å; T163-W167 HydrophobicContact CG2-CE3 4.09Å; T163-W167 HydrophobicContact CG2-CG 4.14Å; T163-W167 HydrophobicContact CG2-CH2 4.14Å; T163-W167 HydrophobicContact CG2-CZ2 3.72Å; T163-W167 HydrophobicContact CG2-CZ3 4.31Å; T163-V287 HydrophobicContact CG2-CG1 4.25Å; T163-V287 HydrophobicContact CG2-CG2 4.16Å
164N97.3Very high98.1Very high0 Ų09.8 Ų9.80%06%0.055CC..  trans-93.3179.5178.3-146.8-53.3000111.9K46 N166 W167 Y197 R286K46-N164 PolarHBondContact O-ND2 3.48Å; K46-N164 PolarHBondContact O-OD1 3.12Å; N164-N166 PolarHBondContact O-N 3.26Å; N164-W167 WeakPolarHBondContact O-CB 3.49Å; N164-W167 PolarHBondContact O-N 3.13Å; N164-Y197 VanDerWaalsContact ND2-CE1 3.27Å; N164-Y197 WeakPolarHBondContact ND2-CE1 3.4Å; N164-Y197 VanDerWaalsContact ND2-CZ 3.32Å; N164-Y197 PolarHBondContact ND2-OH 3.36Å; N164-Y197 VanDerWaalsContact ND2-OH 3.16Å; N164-R286 HydrophobicContact CB-CB 3.88Å; N164-R286 VanDerWaalsContact CB-O 3.3Å; N164-R286 WeakPolarHBondContact CB-O 3.47Å; N164-R286 PolarHBondContact N-O 2.87Å
165V95.3Very high98.1Very high56 Ų5610 Ų1034%0.3396%0.057SC..THydrogen-bonded Turntrans-52.5126.2178.1178.50000110.8D47 R49 W167D47-V165 HydrophobicContact CB-CB 4.38Å; D47-V165 HydrophobicContact CB-CG2 4.05Å; R49-V165 WeakPolarHBondContact CD-O 3.11Å; R49-V165 PolarHBondContact NE-O 3.41Å; V165-W167 PolarHBondContact O-N 3.31Å; V165-W167 VanDerWaalsContact O-N 3.16Å
166N95.1Very high98.1Very high55 Ų5512.4 Ų12.429%0.2947%0.073SC..THydrogen-bonded Turntrans52.835.9174.3-163.750000113.6N164 L168 P169 P170N164-N166 PolarHBondContact O-N 3.26Å; N166-L168 VanDerWaalsContact C-N 3.31Å; N166-L168 PolarHBondContact O-N 3.24Å; N166-P169 WeakPolarHBondContact OD1-CG 3.47Å; N166-P170 WeakPolarHBondContact O-CD 3.38Å; N166-P170 VanDerWaalsContact O-CG 3.22Å; N166-P170 WeakPolarHBondContact O-CG 3.34Å
167W98.2Very high98.1Very high0 Ų019.3 Ų19.30%010%0.103CC..  trans-67.3-30.1-177.773.8-71.8000113.2V86 R89 S90 I155 L157 T163 N164 V165 P170 L171 S285 V287V86-W167 HydrophobicContact CG1-CZ2 4.36Å; V86-W167 HydrophobicContact CG2-CZ2 4.34Å; R89-W167 VanDerWaalsContact O-CD1 3.31Å; S90-W167 PolarHBondContact OG-NE1 2.74Å; I155-W167 HydrophobicContact CD1-CH2 4.11Å; I155-W167 HydrophobicContact CD1-CZ3 4.39Å; I155-W167 HydrophobicContact CG2-CH2 4.05Å; I155-W167 HydrophobicContact CG2-CZ3 4.09Å; L157-W167 HydrophobicContact CD1-CH2 3.93Å; L157-W167 HydrophobicContact CD1-CZ3 4.41Å; L157-W167 HydrophobicContact CD2-CZ3 4.33Å; T163-W167 VanDerWaalsContact CB-CD1 3.47Å; T163-W167 HydrophobicContact CG2-CD2 3.65Å; T163-W167 VanDerWaalsContact CG2-CE2 3.44Å; T163-W167 HydrophobicContact CG2-CE3 4.09Å; T163-W167 HydrophobicContact CG2-CG 4.14Å; T163-W167 HydrophobicContact CG2-CH2 4.14Å; T163-W167 HydrophobicContact CG2-CZ2 3.72Å; T163-W167 HydrophobicContact CG2-CZ3 4.31Å; N164-W167 WeakPolarHBondContact O-CB 3.49Å; N164-W167 PolarHBondContact O-N 3.13Å; V165-W167 PolarHBondContact O-N 3.31Å; V165-W167 VanDerWaalsContact O-N 3.16Å; W167-P170 WeakPolarHBondContact O-CD 3.33Å; W167-L171 HydrophobicContact CE3-CD1 3.64Å; W167-L171 HydrophobicContact CZ3-CD1 3.63Å; W167-S285 VanDerWaalsContact O-CB 3.23Å; W167-S285 WeakPolarHBondContact O-CB 3.39Å; W167-S285 PolarHBondContact O-OG 3.2Å; W167-V287 HydrophobicContact CD2-CG2 4.43Å; W167-V287 HydrophobicContact CE3-CG2 3.83Å; W167-V287 HydrophobicContact CZ3-CG2 4.4Å
168L98.6Very high98Very high0 Ų022.6 Ų22.60%012%0.121CC..Hα-helixtrans-75.4-55.8-168.8178.562.8000113.7V65 L94 I95 I155 N166 P170 L171 L172V65-L168 HydrophobicContact CG1-CD1 4.23Å; V65-L168 HydrophobicContact CG2-CD1 4.24Å; V65-L168 HydrophobicContact CG2-CD2 4.08Å; L94-L168 HydrophobicContact CB-CD2 4.03Å; L94-L168 HydrophobicContact CD1-CD2 4.39Å; I95-L168 HydrophobicContact CG1-CD2 4.42Å; I155-L168 HydrophobicContact CD1-CD1 3.26Å; N166-L168 VanDerWaalsContact C-N 3.31Å; N166-L168 PolarHBondContact O-N 3.24Å; L168-P170 VanDerWaalsContact C-CD 3.45Å; L168-L171 WeakPolarHBondContact O-CB 3.44Å; L168-L171 PolarHBondContact O-N 2.9Å; L168-L172 HydrophobicContact CD1-CD1 3.92Å; L168-L172 HydrophobicContact CD1-CD2 4.29Å; L168-L172 HydrophobicContact CD1-CG 4.02Å; L168-L172 HydrophobicContact CD2-CD1 4.49Å; L168-L172 HydrophobicContact CG-CD1 3.91Å; L168-L172 HydrophobicContact CG-CG 4.37Å; L168-L172 PolarHBondContact O-N 2.66Å
169P98.2Very high98.1Very high8 Ų825.1 Ų25.15%0.05213%0.129CC..Hα-helixtrans-53.5-41-179.1-26.637000115.8Y58 L62 P91 N166 L171 L172 D173Y58-P169 HydrophobicContact CD1-CB 4.47Å; Y58-P169 HydrophobicContact CD2-CB 3.71Å; Y58-P169 HydrophobicContact CE2-CB 4.14Å; Y58-P169 HydrophobicContact CG-CB 3.9Å; L62-P169 HydrophobicContact CD1-CB 3.81Å; L62-P169 HydrophobicContact CD1-CG 4.38Å; P91-P169 HydrophobicContact CG-CG 4.31Å; N166-P169 WeakPolarHBondContact OD1-CG 3.47Å; P169-L171 PolarHBondContact O-N 3.07Å; P169-L172 PolarHBondContact O-N 3.02Å; P169-L172 VanDerWaalsContact O-N 3.09Å; P169-D173 PolarHBondContact O-N 3.05Å
170P98.4Very high98.1Very high4 Ų428.2 Ų28.23%0.02614%0.14CC..Hα-helixtrans-58.8-32.2175.8-6.67.2000114.2Y58 N166 W167 L168 P174 V282 C284Y58-P170 VanDerWaalsContact CE1-CA 3.47Å; Y58-P170 HydrophobicContact CE1-CB 3.82Å; Y58-P170 HydrophobicContact CE1-CG 4.1Å; Y58-P170 WeakPolarHBondContact OH-CG 3.48Å; N166-P170 WeakPolarHBondContact O-CD 3.38Å; N166-P170 VanDerWaalsContact O-CG 3.22Å; N166-P170 WeakPolarHBondContact O-CG 3.34Å; W167-P170 WeakPolarHBondContact O-CD 3.33Å; L168-P170 VanDerWaalsContact C-CD 3.45Å; P170-P174 WeakPolarHBondContact O-CD 3.28Å; P170-V282 HydrophobicContact CB-CG1 3.59Å; P170-V282 WeakPolarHBondContact O-CG1 3.31Å; P170-C284 HydrophobicContact CB-CB 4.13Å; P170-C284 HydrophobicContact CG-CB 4.19Å
171L98.7Very high98.1Very high1 Ų127.2 Ų27.21%0.00514%0.135CC..Hα-helixtrans-72.9-33.3176.8-65.3176.5000112.2W167 L168 P169 I175 T183 P185 A242 V282 S285W167-L171 HydrophobicContact CE3-CD1 3.64Å; W167-L171 HydrophobicContact CZ3-CD1 3.63Å; L168-L171 WeakPolarHBondContact O-CB 3.44Å; L168-L171 PolarHBondContact O-N 2.9Å; P169-L171 PolarHBondContact O-N 3.07Å; L171-I175 WeakPolarHBondContact O-CD1 3.27Å; L171-I175 WeakPolarHBondContact O-CG1 3.38Å; L171-T183 WeakPolarHBondContact O-CG2 3.44Å; L171-T183 PolarHBondContact O-OG1 3.16Å; L171-P185 HydrophobicContact CD2-CB 4.29Å; L171-A242 HydrophobicContact CB-CB 4.22Å; L171-V282 HydrophobicContact CD2-CB 4.17Å; L171-V282 HydrophobicContact CD2-CG2 4.28Å; L171-S285 WeakPolarHBondContact CD1-OG 3.38Å; L171-S285 VanDerWaalsContact CG-OG 3.31Å; L171-S285 WeakPolarHBondContact CG-OG 3.43Å
172L98.8Very high98.2Very high0 Ų027.1 Ų27.10%014%0.135CC..Hα-helixtrans-85.2-34-172.7-59.4-176.3000113.2L62 P63 V65 L94 V153 I155 L168 P169 I175 S176L62-L172 HydrophobicContact CB-CB 4.46Å; L62-L172 HydrophobicContact CB-CD1 4.27Å; L62-L172 HydrophobicContact CD2-CB 3.96Å; P63-L172 HydrophobicContact CG-CB 4.39Å; P63-L172 HydrophobicContact CG-CD2 4.45Å; V65-L172 HydrophobicContact CG1-CD1 3.77Å; V65-L172 HydrophobicContact CG1-CD2 3.46Å; V65-L172 VanDerWaalsContact CG1-CD2 3.46Å; V65-L172 HydrophobicContact CG1-CG 4.22Å; L94-L172 HydrophobicContact CD1-CD1 4.3Å; V153-L172 HydrophobicContact CB-CD2 4.19Å; V153-L172 HydrophobicContact CG1-CD2 3.76Å; V153-L172 HydrophobicContact CG2-CD2 4.34Å; I155-L172 HydrophobicContact CD1-CD2 4.44Å; L168-L172 HydrophobicContact CD1-CD1 3.92Å; L168-L172 HydrophobicContact CD1-CD2 4.29Å; L168-L172 HydrophobicContact CD1-CG 4.02Å; L168-L172 HydrophobicContact CD2-CD1 4.49Å; L168-L172 HydrophobicContact CG-CD1 3.91Å; L168-L172 HydrophobicContact CG-CG 4.37Å; L168-L172 PolarHBondContact O-N 2.66Å; P169-L172 PolarHBondContact O-N 3.02Å; P169-L172 VanDerWaalsContact O-N 3.09Å; L172-I175 CarbonylContact O-C 3.26Å; L172-I175 WeakPolarHBondContact O-CA 3.15Å; L172-I175 WeakPolarHBondContact O-CB 3.42Å; L172-I175 PolarHBondContact O-N 3.2Å; L172-S176 PolarHBondContact O-N 3.48Å
173D98.5Very high98.2Very high15 Ų1527 Ų278%0.0813%0.134CC..Hα-helixtrans-60-40.6-175.6-179.279.4000114.1Y58 S59 L62 P169 I175 S176 K177Y58-D173 HydrophobicContact CD1-CB 3.77Å; Y58-D173 HydrophobicContact CG-CB 4.48Å; S59-D173 VanDerWaalsContact CB-OD1 3.3Å; S59-D173 WeakPolarHBondContact CB-OD1 3.49Å; S59-D173 PolarHBondContact N-OD1 2.66Å; S59-D173 PolarHBondContact OG-OD1 2.92Å; L62-D173 HydrophobicContact CD2-CB 4.29Å; P169-D173 PolarHBondContact O-N 3.05Å; D173-I175 VanDerWaalsContact C-N 3.3Å; D173-I175 PolarHBondContact O-N 2.74Å; D173-S176 PolarHBondContact O-OG 3.45Å; D173-K177 WeakPolarHBondContact O-CD 3.49Å; D173-K177 WeakPolarHBondContact O-CG 3.28Å; D173-K177 PolarHBondContact O-N 3.09Å; D173-K177 IonicContact OD1-NZ 3.18Å; D173-K177 VanDerWaalsContact OD2-CE 3.31Å; D173-K177 WeakPolarHBondContact OD2-CE 3.36Å; D173-K177 IonicContact OD2-NZ 2.64Å; D173-K177 PolarHBondContact OD2-NZ 3.28Å
174P98.5Very high98.2Very high10 Ų1027.2 Ų27.27%0.06514%0.136CC..Hα-helixtrans-66.6-31.3172.3-2335.5000113.5P170 N178 T181 T183 I280P170-P174 WeakPolarHBondContact O-CD 3.28Å; P174-N178 PolarHBondContact O-N 3.47Å; P174-N178 VanDerWaalsContact O-N 3.16Å; P174-T181 HydrophobicContact CB-CG2 3.87Å; P174-T181 PolarHBondContact O-OG1 3.28Å; P174-T183 HydrophobicContact CB-CG2 3.85Å; P174-T183 HydrophobicContact CG-CG2 3.96Å; P174-I280 HydrophobicContact CB-CD1 3.71Å; P174-I280 HydrophobicContact CG-CD1 3.95Å
175I98.7Very high98.2Very high6 Ų627.4 Ų27.43%0.03114%0.137CC..Hα-helixtrans-75.8-37.5-179.9-55.5-179.8000110.6V153 L171 L172 D173 K177 N178 Y179 T183 A242V153-I175 HydrophobicContact CG1-CD1 4.11Å; V153-I175 HydrophobicContact CG2-CG2 3.86Å; L171-I175 WeakPolarHBondContact O-CD1 3.27Å; L171-I175 WeakPolarHBondContact O-CG1 3.38Å; L172-I175 CarbonylContact O-C 3.26Å; L172-I175 WeakPolarHBondContact O-CA 3.15Å; L172-I175 WeakPolarHBondContact O-CB 3.42Å; L172-I175 PolarHBondContact O-N 3.2Å; D173-I175 VanDerWaalsContact C-N 3.3Å; D173-I175 PolarHBondContact O-N 2.74Å; I175-K177 VanDerWaalsContact C-N 3.26Å; I175-K177 PolarHBondContact O-N 3.47Å; I175-N178 CarbonylContact O-C 3.57Å; I175-N178 PolarHBondContact O-N 3.08Å; I175-Y179 WeakPolarHBondContact O-CA 3.36Å; I175-Y179 PolarHBondContact O-N 3.22Å; I175-Y179 VanDerWaalsContact O-N 3.1Å; I175-T183 HydrophobicContact CD1-CG2 4.42Å; I175-T183 HydrophobicContact CG1-CG2 4.06Å; I175-A242 HydrophobicContact CD1-CB 3.85Å
176S98.2Very high98.3Very high51 Ų5125.2 Ų25.236%0.35712%0.123SC..Hα-helixtrans-63.3-34.7176.370.10000111.8S59 L172 D173S59-S176 PolarHBondContact OG-OG 3.11Å; L172-S176 PolarHBondContact O-N 3.48Å; D173-S176 PolarHBondContact O-OG 3.45Å
177K98.1Very high98.5Very high144 Ų14424.3 Ų24.363%0.62612%0.118SC*.Hα-helixtrans-74-37175.9-68.2166.8-179.7168.20112.8D173 I175D173-K177 WeakPolarHBondContact O-CD 3.49Å; D173-K177 WeakPolarHBondContact O-CG 3.28Å; D173-K177 PolarHBondContact O-N 3.09Å; D173-K177 IonicContact OD1-NZ 3.18Å; D173-K177 VanDerWaalsContact OD2-CE 3.31Å; D173-K177 WeakPolarHBondContact OD2-CE 3.36Å; D173-K177 IonicContact OD2-NZ 2.64Å; D173-K177 PolarHBondContact OD2-NZ 3.28Å; I175-K177 VanDerWaalsContact C-N 3.26Å; I175-K177 PolarHBondContact O-N 3.47Å
178N98.4Very high98.5Very high70 Ų7024.3 Ų24.337%0.37412%0.118SC..  trans-150.2108.7174.2179.9-7.1000110P174 I175 R180 T181P174-N178 PolarHBondContact O-N 3.47Å; P174-N178 VanDerWaalsContact O-N 3.16Å; I175-N178 CarbonylContact O-C 3.57Å; I175-N178 PolarHBondContact O-N 3.08Å; N178-R180 PolarHBondContact O-N 2.61Å; N178-R180 WeakPolarHBondContact OD1-CB 3.43Å; N178-R180 PolarHBondContact OD1-N 3.3Å; N178-T181 VanDerWaalsContact O-CB 3.25Å; N178-T181 WeakPolarHBondContact O-CB 3.39Å; N178-T181 PolarHBondContact O-N 3.29Å; N178-T181 PolarHBondContact O-OG1 3.33Å
179Y98.6Very high98.4Very high75 Ų7525 Ų2529%0.29412%0.121SC..THydrogen-bonded Turntrans-60.4-15.8-176.778.3-81.9000114.2I175 T181 S244 K246 W247I175-Y179 WeakPolarHBondContact O-CA 3.36Å; I175-Y179 PolarHBondContact O-N 3.22Å; I175-Y179 VanDerWaalsContact O-N 3.1Å; Y179-T181 VanDerWaalsContact C-N 3.31Å; Y179-S244 WeakPolarHBondContact O-CB 3.07Å; Y179-K246 HydrophobicContact CD2-CB 4.49Å; Y179-K246 HydrophobicContact CD2-CD 4.04Å; Y179-K246 HydrophobicContact CD2-CG 4.22Å; Y179-K246 HydrophobicContact CE2-CD 3.91Å; Y179-K246 HydrophobicContact CE2-CG 4.09Å; Y179-W247 HydrophobicContact CD2-CB 4.02Å; Y179-W247 HydrophobicContact CE2-CB 4.39Å; Y179-W247 HydrophobicContact CE2-CE3 4.38Å; Y179-W247 WeakPolarHBondContact O-CB 3.45Å
180R98.8Very high98.4Very high72 Ų7224.7 Ų24.727%0.27212%0.119SC..THydrogen-bonded Turntrans-86.11.6174.4-58.3-170.7167.4-148.9-9.9114.1N178 W247 E250 G277 R278N178-R180 PolarHBondContact O-N 2.61Å; N178-R180 WeakPolarHBondContact OD1-CB 3.43Å; N178-R180 PolarHBondContact OD1-N 3.3Å; R180-W247 HydrophobicContact CB-CD2 4.1Å; R180-W247 HydrophobicContact CB-CG 4.37Å; R180-W247 HydrophobicContact CB-CZ2 4.38Å; R180-W247 HydrophobicContact CG-CD2 3.83Å; R180-W247 HydrophobicContact CG-CE3 3.84Å; R180-W247 HydrophobicContact CG-CG 4.32Å; R180-W247 HydrophobicContact CG-CH2 4.49Å; R180-W247 HydrophobicContact CG-CZ2 4.42Å; R180-W247 HydrophobicContact CG-CZ3 4.21Å; R180-W247 VanDerWaalsContact CZ-CZ3 3.41Å; R180-W247 PolarHBondContact O-NE1 3.38Å; R180-E250 IonicContact CZ-OE2 3.66Å; R180-E250 IonicContact NE-OE2 2.82Å; R180-E250 IonicContact NH2-OE2 3.65Å; R180-E250 PolarHBondContact NH2-OE2 3.3Å; R180-G277 VanDerWaalsContact O-CA 3.26Å; R180-G277 WeakPolarHBondContact O-CA 3.31Å; R180-R278 PolarHBondContact O-N 3.13Å
181T98.9Very high98.3Very high0 Ų025.9 Ų25.90%013%0.126CC..EExtended strand (participates in β ladder)trans-79.9135.5169.8-53.80000109.6P174 N178 Y179 T183 R278 I280P174-T181 HydrophobicContact CB-CG2 3.87Å; P174-T181 PolarHBondContact O-OG1 3.28Å; N178-T181 VanDerWaalsContact O-CB 3.25Å; N178-T181 WeakPolarHBondContact O-CB 3.39Å; N178-T181 PolarHBondContact O-N 3.29Å; N178-T181 PolarHBondContact O-OG1 3.33Å; Y179-T181 VanDerWaalsContact C-N 3.31Å; T181-T183 HydrophobicContact CG2-CG2 3.99Å; T181-R278 HydrophobicContact CG2-CG 3.96Å; T181-R278 PolarHBondContact OG1-NE 3.14Å; T181-I280 HydrophobicContact CG2-CD1 3.74Å; T181-I280 HydrophobicContact CG2-CG1 4.04Å
182V98.9Very high98.2Very high0 Ų025.9 Ų25.90%013%0.126CC..EExtended strand (participates in β ladder)trans-113.5132.7169.4-177.10000107.8M236 F241 A242 I243 I272 R278 L279 I280V182-M236 HydrophobicContact CG1-CE 4.02Å; V182-F241 HydrophobicContact CG1-CD2 3.93Å; V182-A242 WeakPolarHBondContact CA-O 3.36Å; V182-A242 WeakPolarHBondContact CG1-O 3.43Å; V182-I243 HydrophobicContact CG1-CB 4.3Å; V182-I243 HydrophobicContact CG2-CB 4.19Å; V182-I243 HydrophobicContact CG2-CD1 3.61Å; V182-I243 HydrophobicContact CG2-CG1 3.75Å; V182-I272 HydrophobicContact CB-CD1 3.81Å; V182-I272 HydrophobicContact CG1-CD1 3.92Å; V182-I272 HydrophobicContact CG2-CD1 3.48Å; V182-I272 VanDerWaalsContact CG2-CD1 3.48Å; V182-I272 HydrophobicContact CG2-CG1 3.73Å; V182-I272 HydrophobicContact CG2-CG2 4.15Å; V182-R278 PolarHBondContact N-O 3.28Å; V182-L279 HydrophobicContact CB-CD1 3.91Å; V182-L279 HydrophobicContact CG1-CD1 3.78Å; V182-L279 WeakPolarHBondContact O-CA 3.43Å; V182-I280 PolarHBondContact O-N 3.09Å
183T98.9Very high97.9Very high0 Ų028.4 Ų28.40%014%0.139CC..EExtended strand (participates in β ladder)trans-117.4138.4-175.756.50000110.8L171 P174 I175 T181 F241 A242 I280 V282L171-T183 WeakPolarHBondContact O-CG2 3.44Å; L171-T183 PolarHBondContact O-OG1 3.16Å; P174-T183 HydrophobicContact CB-CG2 3.85Å; P174-T183 HydrophobicContact CG-CG2 3.96Å; I175-T183 HydrophobicContact CD1-CG2 4.42Å; I175-T183 HydrophobicContact CG1-CG2 4.06Å; T181-T183 HydrophobicContact CG2-CG2 3.99Å; T183-F241 CarbonylContact O-C 3.54Å; T183-F241 WeakPolarHBondContact O-CA 3.5Å; T183-A242 PolarHBondContact N-O 3.15Å; T183-A242 PolarHBondContact O-N 2.93Å; T183-I280 CarbonylContact C-O 3.52Å; T183-I280 WeakPolarHBondContact CA-O 3.35Å; T183-I280 HydrophobicContact CG2-CD1 3.94Å; T183-I280 HydrophobicContact CG2-CG1 3.79Å; T183-V282 HydrophobicContact CG2-CG2 3.89Å
184C98.7Very high97.7Very high5 Ų529.6 Ų29.63%0.03415%0.147CC..EExtended strand (participates in β ladder)trans-117.7137.9173.1-64.80000109.4I280 D281 V282C184-I280 PolarHBondContact N-O 2.81Å; C184-D281 WeakPolarHBondContact CB-OD1 3.23Å; C184-D281 CarbonylContact O-C 3.51Å; C184-D281 WeakPolarHBondContact O-CA 3.43Å; C184-V282 PolarHBondContact O-N 2.93Å
185P98.4Very high97.7Very high4 Ų429.1 Ų29.13%0.02614%0.144CC..EExtended strand (participates in β ladder)trans-73.9163.117033.7-34.6000110.1L171 I187 L240 S285 V287L171-P185 HydrophobicContact CD2-CB 4.29Å; P185-I187 PolarHBondContact O-N 2.78Å; P185-L240 WeakPolarHBondContact CD-O 3.41Å; P185-L240 HydrophobicContact CG-CB 3.91Å; P185-S285 WeakPolarHBondContact CA-O 3.24Å; P185-V287 HydrophobicContact CB-CB 4.48Å; P185-V287 HydrophobicContact CB-CG2 3.88Å; P185-V287 HydrophobicContact CG-CB 4.27Å; P185-V287 HydrophobicContact CG-CG2 3.84Å
186F97.5Very high97.6Very high10 Ų1032 Ų324%0.04416%0.158CC..EExtended strand (participates in β ladder)trans-65.1129.8158.8-84.425.3000109.3D202 G203 F231 D281 P283 S285 R286 V287F186-D202 WeakPolarHBondContact CE2-O 3.45Å; F186-D202 WeakPolarHBondContact CZ-O 3.28Å; F186-G203 VanDerWaalsContact CE2-N 3.32Å; F186-F231 AromaticContact CE1-CE1 3.61Å; F186-F231 HydrophobicContact CE1-CE1 3.61Å; F186-F231 AromaticContact CE1-CZ 3.9Å; F186-F231 HydrophobicContact CE1-CZ 3.9Å; F186-F231 AromaticContact CZ-CE1 3.8Å; F186-F231 HydrophobicContact CZ-CE1 3.8Å; F186-F231 HydrophobicContact CZ-CZ 4.26Å; F186-D281 HydrophobicContact CE1-CB 4.28Å; F186-P283 HydrophobicContact CD1-CB 4.38Å; F186-P283 HydrophobicContact CE1-CB 3.83Å; F186-P283 HydrophobicContact CE1-CG 3.7Å; F186-P283 HydrophobicContact CE2-CB 4.06Å; F186-P283 HydrophobicContact CZ-CB 3.62Å; F186-P283 HydrophobicContact CZ-CG 3.68Å; F186-S285 PolarHBondContact N-O 2.04Å; F186-R286 HydrophobicContact CB-CG 4.27Å; F186-R286 VanDerWaalsContact CD2-NH1 3.28Å; F186-R286 WeakPolarHBondContact O-CA 3.2Å; F186-V287 PolarHBondContact O-N 3.18Å
187I97.7Very high97.6Very high36 Ų3630.4 Ų30.419%0.18514%0.144CC..EExtended strand (participates in β ladder)trans-89.9108.9177.4-49-172.4000107.2P185 Q200 A237 L240 V287 H289 F291P185-I187 PolarHBondContact O-N 2.78Å; I187-Q200 VanDerWaalsContact O-CB 3.31Å; I187-Q200 WeakPolarHBondContact O-CB 3.37Å; I187-Q200 PolarHBondContact O-OE1 2.92Å; I187-A237 HydrophobicContact CD1-CB 3.78Å; I187-L240 HydrophobicContact CD1-CD1 4.26Å; I187-L240 HydrophobicContact CD1-CG 4.35Å; I187-L240 HydrophobicContact CG1-CD1 4.09Å; I187-L240 HydrophobicContact CG2-CD1 4.12Å; I187-V287 WeakPolarHBondContact CA-O 3.21Å; I187-H289 HydrophobicContact CG2-CB 3.59Å; I187-F291 HydrophobicContact CG2-CE2 4.47Å; I187-F291 HydrophobicContact CG2-CZ 3.98Å
188D98Very high97.6Very high0 Ų028.5 Ų28.50%013%0.133CC..EExtended strand (participates in β ladder)trans-86.3163175.3-72.5-28.1000110.5I48 Y197 R198 A199 R286 V287 G288 H289I48-D188 WeakPolarHBondContact CD1-OD2 3.41Å; D188-Y197 HydrophobicContact CB-CE1 3.75Å; D188-Y197 HydrophobicContact CB-CE2 4.48Å; D188-Y197 WeakPolarHBondContact CB-OH 3.32Å; D188-Y197 VanDerWaalsContact OD2-CE1 3.23Å; D188-Y197 WeakPolarHBondContact OD2-CE1 3.26Å; D188-Y197 VanDerWaalsContact OD2-CZ 3.29Å; D188-Y197 PolarHBondContact OD2-OH 2.89Å; D188-R198 WeakPolarHBondContact CB-O 3.23Å; D188-A199 WeakPolarHBondContact OD1-CA 3.46Å; D188-R286 IonicContact OD1-CZ 2.65Å; D188-R286 IonicContact OD1-NE 2.68Å; D188-R286 PolarHBondContact OD1-NE 2.83Å; D188-R286 IonicContact OD1-NH2 3.63Å; D188-R286 PolarHBondContact OD1-NH2 3.36Å; D188-R286 WeakPolarHBondContact OD2-CB 3.48Å; D188-R286 IonicContact OD2-CZ 3.05Å; D188-R286 IonicContact OD2-NE 3.04Å; D188-R286 PolarHBondContact OD2-NE 2.84Å; D188-R286 IonicContact OD2-NH2 2.89Å; D188-V287 PolarHBondContact N-O 3.43Å; D188-G288 CarbonylContact O-C 3.56Å; D188-G288 WeakPolarHBondContact O-CA 3.32Å; D188-H289 PolarHBondContact O-N 3.05Å
189V97.9Very high97.5Very high13 Ų1327.2 Ų27.28%0.07913%0.132CC..EExtended strand (participates in β ladder)trans-94.1128.8178.3-179.80000109.4Y197 R198 Q200 F291V189-Y197 WeakPolarHBondContact O-CA 3.34Å; V189-R198 HydrophobicContact CB-CG 4.1Å; V189-R198 PolarHBondContact N-O 3.44Å; V189-R198 PolarHBondContact O-N 3.23Å; V189-Q200 HydrophobicContact CG2-CB 3.91Å; V189-Q200 HydrophobicContact CG2-CG 4.07Å; V189-F291 HydrophobicContact CG1-CD2 4.43Å; V189-F291 HydrophobicContact CG2-CD2 4.19Å; V189-F291 HydrophobicContact CG2-CE2 3.96Å
190I98.3Very high97.3Very high2 Ų227.1 Ų27.11%0.0113%0.134CC..EExtended strand (participates in β ladder)trans-102.2110.9155.7-58.6166.6000106.4E162 A192 F195 E196 Y197 H289 I290E162-I190 HydrophobicContact CB-CD1 3.91Å; E162-I190 HydrophobicContact CG-CD1 3.93Å; I190-A192 PolarHBondContact O-N 3.13Å; I190-F195 HydrophobicContact CG2-CB 4.25Å; I190-F195 HydrophobicContact CG2-CD1 3.9Å; I190-F195 HydrophobicContact CG2-CG 4.17Å; I190-E196 WeakPolarHBondContact CA-O 3.45Å; I190-Y197 HydrophobicContact CG1-CD2 4.06Å; I190-H289 PolarHBondContact N-O 3.48Å; I190-I290 HydrophobicContact CB-CG1 3.73Å; I190-I290 HydrophobicContact CD1-CG1 4.2Å; I190-I290 HydrophobicContact CG2-CD1 4.34Å; I190-I290 HydrophobicContact CG2-CG1 3.72Å
191D96.7Very high96.9Very high29 Ų2926.4 Ų26.416%0.15514%0.136CC..  trans-58.5129.9-174.9-176.7-97.3000111.8D193 T194 F195 E196D191-D193 PolarHBondContact O-N 3.04Å; D191-D193 PolarHBondContact OD1-N 3.07Å; D191-T194 WeakPolarHBondContact CB-OG1 3.37Å; D191-T194 VanDerWaalsContact CG-OG1 3.26Å; D191-T194 WeakPolarHBondContact OD1-CB 3.3Å; D191-T194 PolarHBondContact OD1-N 2.95Å; D191-T194 PolarHBondContact OD1-OG1 2.97Å; D191-F195 WeakPolarHBondContact O-CA 3.45Å; D191-F195 PolarHBondContact O-N 2.85Å; D191-E196 HydrophobicContact CB-CB 4.12Å; D191-E196 PolarHBondContact N-O 3.44Å
192A94.8Very high96.5Very high1 Ų131.6 Ų31.61%0.00816%0.163CC..THydrogen-bonded Turntrans-65-23.1-172.400000113.4F31 N32 I190 E293F31-A192 HydrophobicContact CB-CB 4.04Å; F31-A192 WeakPolarHBondContact CB-O 3.4Å; N32-A192 WeakPolarHBondContact CB-O 3.21Å; N32-A192 PolarHBondContact N-O 2.78Å; I190-A192 PolarHBondContact O-N 3.13Å; A192-E293 HydrophobicContact CB-CB 4.19Å; A192-E293 HydrophobicContact CB-CG 3.98Å
193D93.2Very high96.1Very high53 Ų5332.3 Ų32.328%0.28317%0.17SC..THydrogen-bonded Turntrans-99.6-46.3-178-81.7-33.5000113.6N32 V35 D191 Y294N32-D193 PolarHBondContact ND2-O 3.35Å; V35-D193 WeakPolarHBondContact CG2-O 3.4Å; D191-D193 PolarHBondContact O-N 3.04Å; D191-D193 PolarHBondContact OD1-N 3.07Å; D193-Y294 WeakPolarHBondContact OD1-CE2 3.33Å; D193-Y294 VanDerWaalsContact OD1-CZ 3.31Å; D193-Y294 PolarHBondContact OD1-OH 3.32Å; D193-Y294 PolarHBondContact OD2-OH 2.93Å
194T95.2Very high95.9Very high40 Ų4033 Ų3325%0.24518%0.177CC..THydrogen-bonded Turntrans-104.6-12.7-170.365.80000113.1P11 V12 D191 E196P11-T194 HydrophobicContact CB-CG2 4.34Å; V12-T194 PolarHBondContact N-O 2.9Å; D191-T194 WeakPolarHBondContact CB-OG1 3.37Å; D191-T194 VanDerWaalsContact CG-OG1 3.26Å; D191-T194 WeakPolarHBondContact OD1-CB 3.3Å; D191-T194 PolarHBondContact OD1-N 2.95Å; D191-T194 PolarHBondContact OD1-OG1 2.97Å; T194-E196 PolarHBondContact O-N 3.27Å; T194-E196 PolarHBondContact OG1-N 3.14Å
195F96.7Very high95.9Very high0 Ų033.1 Ų33.10%018%0.176CC..  trans57.523-173.6-82.8-116.8000113.6F31 N32 V35 S36 I39 R43 T78 I190 D191 Y197 I290F31-F195 HydrophobicContact CD2-CE2 4.14Å; F31-F195 AromaticContact CD2-CZ 3.75Å; F31-F195 HydrophobicContact CD2-CZ 3.75Å; F31-F195 HydrophobicContact CE2-CZ 4.15Å; F31-F195 HydrophobicContact CG-CZ 4.45Å; N32-F195 VanDerWaalsContact O-CE2 3.28Å; N32-F195 WeakPolarHBondContact O-CE2 3.37Å; V35-F195 HydrophobicContact CB-CD2 4.11Å; V35-F195 HydrophobicContact CG1-CB 3.9Å; V35-F195 HydrophobicContact CG1-CD2 3.63Å; V35-F195 HydrophobicContact CG1-CE2 4.49Å; V35-F195 HydrophobicContact CG1-CG 3.98Å; S36-F195 VanDerWaalsContact CB-CZ 3.42Å; I39-F195 HydrophobicContact CD1-CB 3.31Å; I39-F195 HydrophobicContact CD1-CD1 4.03Å; I39-F195 HydrophobicContact CD1-CG 3.83Å; R43-F195 PolarHBondContact NH1-O 3.46Å; R43-F195 PolarHBondContact NH2-O 3.28Å; T78-F195 HydrophobicContact CG2-CE1 4.05Å; T78-F195 HydrophobicContact CG2-CZ 4.19Å; I190-F195 HydrophobicContact CG2-CB 4.25Å; I190-F195 HydrophobicContact CG2-CD1 3.9Å; I190-F195 HydrophobicContact CG2-CG 4.17Å; D191-F195 WeakPolarHBondContact O-CA 3.45Å; D191-F195 PolarHBondContact O-N 2.85Å; F195-Y197 PolarHBondContact O-N 3.3Å; F195-I290 HydrophobicContact CD1-CD1 4.43Å; F195-I290 HydrophobicContact CE1-CD1 3.57Å; F195-I290 HydrophobicContact CZ-CD1 3.71Å
196E97.9Very high95.8Very high68 Ų6832.9 Ų32.932%0.31818%0.175SC..  trans-58.9128.8168.8-177.7173.3-140.100109.9G9 P11 I190 D191 T194G9-E196 WeakPolarHBondContact O-CA 3.19Å; P11-E196 HydrophobicContact CB-CB 4Å; I190-E196 WeakPolarHBondContact CA-O 3.45Å; D191-E196 HydrophobicContact CB-CB 4.12Å; D191-E196 PolarHBondContact N-O 3.44Å; T194-E196 PolarHBondContact O-N 3.27Å; T194-E196 PolarHBondContact OG1-N 3.14Å
197Y98.1Very high95.9Very high16 Ų1632.4 Ų32.46%0.06317%0.173CC..EExtended strand (participates in β ladder)trans-91.6118.5171.8-173.4-66.6000108.4G9 V45 I48 E162 N164 D188 V189 I190 F195 G288G9-Y197 PolarHBondContact O-N 2.9Å; V45-Y197 HydrophobicContact CB-CD2 4.37Å; V45-Y197 HydrophobicContact CB-CG 4.39Å; V45-Y197 HydrophobicContact CG1-CD2 3.88Å; V45-Y197 HydrophobicContact CG1-CE2 4.46Å; V45-Y197 HydrophobicContact CG1-CG 4.17Å; I48-Y197 HydrophobicContact CD1-CD1 4.11Å; I48-Y197 HydrophobicContact CD1-CE1 3.6Å; I48-Y197 HydrophobicContact CG1-CE1 4.19Å; E162-Y197 HydrophobicContact CB-CD2 4.43Å; E162-Y197 HydrophobicContact CB-CE2 4.29Å; N164-Y197 VanDerWaalsContact ND2-CE1 3.27Å; N164-Y197 WeakPolarHBondContact ND2-CE1 3.4Å; N164-Y197 VanDerWaalsContact ND2-CZ 3.32Å; N164-Y197 PolarHBondContact ND2-OH 3.36Å; N164-Y197 VanDerWaalsContact ND2-OH 3.16Å; D188-Y197 HydrophobicContact CB-CE1 3.75Å; D188-Y197 HydrophobicContact CB-CE2 4.48Å; D188-Y197 WeakPolarHBondContact CB-OH 3.32Å; D188-Y197 VanDerWaalsContact OD2-CE1 3.23Å; D188-Y197 WeakPolarHBondContact OD2-CE1 3.26Å; D188-Y197 VanDerWaalsContact OD2-CZ 3.29Å; D188-Y197 PolarHBondContact OD2-OH 2.89Å; V189-Y197 WeakPolarHBondContact O-CA 3.34Å; I190-Y197 HydrophobicContact CG1-CD2 4.06Å; F195-Y197 PolarHBondContact O-N 3.3Å; Y197-G288 VanDerWaalsContact CE2-CA 3.45Å; Y197-G288 PolarHBondContact OH-N 3.38Å
198R97.1Very high95.9Very high105 Ų10530.7 Ų30.740%0.39616%0.164SC..EExtended strand (participates in β ladder)trans-144.2155.917961.2-178.4178.180.4-1.6112.1D188 V189 Q200D188-R198 WeakPolarHBondContact CB-O 3.23Å; V189-R198 HydrophobicContact CB-CG 4.1Å; V189-R198 PolarHBondContact N-O 3.44Å; V189-R198 PolarHBondContact O-N 3.23Å; R198-Q200 PolarHBondContact O-N 3.39Å
199A96.7Very high95.7Very high43 Ų4331.9 Ų31.936%0.35517%0.171SC..  trans-57.7137.7169.800000110I48 D188I48-A199 HydrophobicContact CD1-CB 3.92Å; D188-A199 WeakPolarHBondContact OD1-CA 3.46Å
200Q94.3Very high95.5Very high72 Ų7231.6 Ų31.634%0.33617%0.168SC..  trans-70.6-49.1167.3-173.1170.2-11.700110I187 V189 R198 R216I187-Q200 VanDerWaalsContact O-CB 3.31Å; I187-Q200 WeakPolarHBondContact O-CB 3.37Å; I187-Q200 PolarHBondContact O-OE1 2.92Å; V189-Q200 HydrophobicContact CG2-CB 3.91Å; V189-Q200 HydrophobicContact CG2-CG 4.07Å; R198-Q200 PolarHBondContact O-N 3.39Å; Q200-R216 VanDerWaalsContact NE2-NH1 3.14Å
201D91.3Very high95.2Very high58 Ų5832.8 Ų32.831%0.3118%0.176SC..  trans-170.9-170.4179.247.955.5000111G203 R216D201-G203 PolarHBondContact O-N 3.28Å; D201-G203 VanDerWaalsContact OD1-CA 3.27Å; D201-G203 WeakPolarHBondContact OD1-CA 3.09Å; D201-G203 PolarHBondContact OD1-N 3.31Å; D201-R216 IonicContact OD1-CZ 3.54Å; D201-R216 IonicContact OD1-NH1 3.23Å; D201-R216 IonicContact OD1-NH2 2.89Å; D201-R216 PolarHBondContact OD1-NH2 3.18Å; D201-R216 IonicContact OD2-CZ 2.74Å; D201-R216 VanDerWaalsContact OD2-CZ 3.24Å; D201-R216 IonicContact OD2-NH1 3.75Å; D201-R216 PolarHBondContact OD2-NH1 2.94Å; D201-R216 IonicContact OD2-NH2 3.78Å; D201-R216 PolarHBondContact OD2-NH2 3.14Å
202D90.1Very high95.1Very high108 Ų10831.5 Ų31.558%0.57817%0.169SC*.SBendtrans-84.618.8174.2-74.4-48.7000114.1Y50 F186 R219Y50-D202 WeakPolarHBondContact OH-CA 3.43Å; Y50-D202 VanDerWaalsContact OH-CB 3.28Å; Y50-D202 WeakPolarHBondContact OH-CB 3.16Å; Y50-D202 VanDerWaalsContact OH-CG 3.3Å; Y50-D202 PolarHBondContact OH-OD1 2.91Å; F186-D202 WeakPolarHBondContact CE2-O 3.45Å; F186-D202 WeakPolarHBondContact CZ-O 3.28Å; D202-R219 WeakPolarHBondContact O-CD 3.21Å; D202-R219 PolarHBondContact O-NH1 3.45Å
203G91.3Very high95.1Very high15 Ų1538.3 Ų38.316%0.15520%0.196CC..  trans88.3153.9179.400000113.2F186 D201F186-G203 VanDerWaalsContact CE2-N 3.32Å; D201-G203 PolarHBondContact O-N 3.28Å; D201-G203 VanDerWaalsContact OD1-CA 3.27Å; D201-G203 WeakPolarHBondContact OD1-CA 3.09Å; D201-G203 PolarHBondContact OD1-N 3.31Å
204A94.8Very high95.2Very high16 Ų1639.4 Ų39.413%0.13220%0.197CC..  trans-156.1149.4175.300000108.4R216 L217A204-R216 HydrophobicContact CB-CB 3.89Å; A204-R216 HydrophobicContact CB-CG 4.5Å; A204-L217 WeakPolarHBondContact CB-O 3.41Å
205R97.2Very high95.3Very high6 Ų640.5 Ų40.52%0.02320%0.198CC..EExtended strand (participates in β ladder)trans-76.9124.5-178.6-61.9-172.8-59125.55.4109.2R216 L217 P218 F231 E232 D366R205-R216 CarbonylContact O-C 3.58Å; R205-R216 WeakPolarHBondContact O-CA 3.41Å; R205-L217 HydrophobicContact CB-CB 4.28Å; R205-L217 PolarHBondContact N-O 2.94Å; R205-L217 PolarHBondContact O-N 3.29Å; R205-P218 PolarHBondContact NE-O 3Å; R205-P218 VanDerWaalsContact NE-O 3.07Å; R205-F231 HydrophobicContact CG-CD2 3.82Å; R205-F231 HydrophobicContact CG-CE2 3.79Å; R205-E232 WeakPolarHBondContact CD-O 3.23Å; R205-E232 WeakPolarHBondContact CG-O 3.47Å; R205-D366 IonicContact CZ-OD1 3.85Å; R205-D366 IonicContact CZ-OD2 2.89Å; R205-D366 IonicContact NH1-OD1 2.91Å; R205-D366 IonicContact NH2-OD1 3.62Å; R205-D366 PolarHBondContact NH2-OD1 2.95Å; R205-D366 IonicContact NH2-OD2 3.68Å; R205-D366 PolarHBondContact NH2-OD2 3.27Å
206G97.9Very high95.2Very high0 Ų043.9 Ų43.90%021%0.211CC..EExtended strand (participates in β ladder)trans-71.8145.4-17900000112.3Y214 S233 P234 V235G206-Y214 VanDerWaalsContact CA-OH 3.29Å; G206-Y214 WeakPolarHBondContact CA-OH 3.33Å; G206-S233 PolarHBondContact N-OG 3.22Å; G206-P234 WeakPolarHBondContact O-CB 3.27Å; G206-P234 VanDerWaalsContact O-CD 3.27Å; G206-P234 WeakPolarHBondContact O-CD 3.4Å; G206-V235 CarbonylContact C-O 3.44Å; G206-V235 WeakPolarHBondContact CA-O 3.49Å; G206-V235 PolarHBondContact O-N 3.2Å
207A97.9Very high95.1Very high0 Ų040.8 Ų40.80%020%0.196CC..EExtended strand (participates in β ladder)trans-151.1-168.9-173.400000110.8K215 L217 L367A207-K215 HydrophobicContact CB-CB 4.31Å; A207-K215 PolarHBondContact N-O 2.67Å; A207-K215 PolarHBondContact O-N 2.63Å; A207-L217 HydrophobicContact CB-CD1 3.7Å; A207-L217 HydrophobicContact CB-CG 3.69Å; A207-L367 HydrophobicContact CB-CD1 4.22Å
208F97.5Very high94.9Very high0 Ų044.3 Ų44.30%022%0.221CC..EExtended strand (participates in β ladder)trans-145.5157.1175.258.7-78.9000111.2F212 Y213 V235 Y266 F270 M319 F356 F359 M360 L367F208-F212 AromaticContact CD2-CD1 3.98Å; F208-F212 HydrophobicContact CD2-CD1 3.98Å; F208-F212 HydrophobicContact CD2-CE1 4.21Å; F208-F212 HydrophobicContact CE2-CE1 4.45Å; F208-F212 HydrophobicContact CG-CD1 4.44Å; F208-Y213 WeakPolarHBondContact CA-O 3.49Å; F208-V235 HydrophobicContact CD1-CG2 3.85Å; F208-V235 HydrophobicContact CE1-CG2 4.24Å; F208-Y266 HydrophobicContact CB-CD1 4.29Å; F208-Y266 HydrophobicContact CB-CE1 3.68Å; F208-Y266 HydrophobicContact CG-CE1 4.4Å; F208-F270 HydrophobicContact CD1-CE1 4.44Å; F208-F270 HydrophobicContact CD1-CZ 4.35Å; F208-F270 AromaticContact CE1-CE1 3.81Å; F208-F270 HydrophobicContact CE1-CE1 3.81Å; F208-F270 AromaticContact CE1-CZ 3.86Å; F208-F270 HydrophobicContact CE1-CZ 3.86Å; F208-F270 HydrophobicContact CZ-CE1 4.35Å; F208-F270 HydrophobicContact CZ-CZ 4.1Å; F208-M319 HydrophobicContact CE2-CE 4.16Å; F208-F356 HydrophobicContact CE2-CZ 4.48Å; F208-F356 HydrophobicContact CZ-CE1 4.39Å; F208-F356 AromaticContact CZ-CZ 3.74Å; F208-F356 HydrophobicContact CZ-CZ 3.74Å; F208-F359 HydrophobicContact CE1-CE1 4.07Å; F208-M360 HydrophobicContact CZ-SD 4.15Å; F208-L367 HydrophobicContact CD1-CD1 3.79Å; F208-L367 HydrophobicContact CE1-CD1 3.5Å; F208-L367 HydrophobicContact CE2-CD1 4.31Å; F208-L367 HydrophobicContact CG-CD1 4.3Å; F208-L367 HydrophobicContact CZ-CD1 3.76Å
209D94.7Very high94.8Very high25 Ų2541.1 Ų41.113%0.13421%0.209CC..  trans-94.7174.1161.768.820.1000111.1S211 F212 Y213 K215D209-S211 PolarHBondContact O-N 3.18Å; D209-S211 WeakPolarHBondContact OD1-CA 3.44Å; D209-S211 WeakPolarHBondContact OD1-CB 3.31Å; D209-S211 PolarHBondContact OD1-N 2.87Å; D209-F212 PolarHBondContact O-N 3.4Å; D209-F212 PolarHBondContact OD1-N 2.89Å; D209-Y213 PolarHBondContact N-O 2.95Å; D209-Y213 VanDerWaalsContact N-O 3.1Å; D209-Y213 PolarHBondContact OD1-N 3.43Å; D209-K215 HydrophobicContact CB-CG 4.03Å; D209-K215 VanDerWaalsContact CG-CE 3.42Å; D209-K215 WeakPolarHBondContact OD2-CE 3.47Å; D209-K215 IonicContact OD2-NZ 3.71Å; D209-K215 PolarHBondContact OD2-NZ 2.89Å; D209-K215 VanDerWaalsContact OD2-NZ 3.15Å
210W93.5Very high94.6Very high7 Ų741.8 Ų41.83%0.02721%0.206CC..THydrogen-bonded Turntrans-74.710.6-177.8-56.591.8000114.2M319 Y322 Y325 I326 S329 M360 L367 T368 Y371 P373W210-M319 HydrophobicContact CZ3-CE 4.17Å; W210-Y322 AromaticContact CH2-CD1 3.69Å; W210-Y322 HydrophobicContact CH2-CD1 3.69Å; W210-Y322 HydrophobicContact CH2-CE1 4.4Å; W210-Y322 HydrophobicContact CZ3-CD1 4.08Å; W210-Y325 HydrophobicContact CD2-CD2 4.42Å; W210-Y325 HydrophobicContact CD2-CG 4.26Å; W210-Y325 AromaticContact CE3-CD2 3.87Å; W210-Y325 HydrophobicContact CE3-CD2 3.87Å; W210-Y325 AromaticContact CE3-CG 3.87Å; W210-Y325 HydrophobicContact CE3-CG 3.87Å; W210-Y325 AromaticContact CH2-CD2 3.79Å; W210-Y325 HydrophobicContact CH2-CD2 3.79Å; W210-Y325 HydrophobicContact CH2-CE2 4.27Å; W210-Y325 HydrophobicContact CZ2-CD2 4.35Å; W210-Y325 AromaticContact CZ3-CD2 3.53Å; W210-Y325 HydrophobicContact CZ3-CD2 3.53Å; W210-Y325 HydrophobicContact CZ3-CE2 4.44Å; W210-Y325 HydrophobicContact CZ3-CG 4.04Å; W210-I326 HydrophobicContact CE3-CD1 4.43Å; W210-I326 WeakPolarHBondContact O-CA 3.32Å; W210-I326 WeakPolarHBondContact O-CD1 3.37Å; W210-S329 WeakPolarHBondContact O-CB 3.45Å; W210-S329 PolarHBondContact O-OG 2.68Å; W210-M360 HydrophobicContact CH2-CE 4.29Å; W210-M360 HydrophobicContact CZ2-CE 4.41Å; W210-L367 HydrophobicContact CZ2-CD2 4.25Å; W210-T368 HydrophobicContact CZ2-CG2 3.84Å; W210-Y371 PolarHBondContact NE1-O 2.84Å; W210-P373 HydrophobicContact CD2-CB 4Å; W210-P373 HydrophobicContact CG-CB 4.06Å; W210-P373 HydrophobicContact CZ2-CB 4.18Å; W210-P373 HydrophobicContact CZ2-CG 4.37Å; W210-P373 VanDerWaalsContact NE1-CA 3.28Å
211S93.1Very high94.5Very high26 Ų2643.3 Ų43.318%0.18223%0.225CC..THydrogen-bonded Turntrans-109.311.5164.8-59.20000112.1D209 Y213 S329 L330D209-S211 PolarHBondContact O-N 3.18Å; D209-S211 WeakPolarHBondContact OD1-CA 3.44Å; D209-S211 WeakPolarHBondContact OD1-CB 3.31Å; D209-S211 PolarHBondContact OD1-N 2.87Å; S211-Y213 PolarHBondContact O-N 3.43Å; S211-S329 WeakPolarHBondContact OG-CB 3.29Å; S211-L330 WeakPolarHBondContact O-CD1 3.43Å
212F94.5Very high94.4Very high3 Ų345 Ų451%0.01324%0.237CC..  trans55.334.7-173.9-82.1-24.1000113.7F208 D209 Y266 F270 F311 V314 A315 M319 I326F208-F212 AromaticContact CD2-CD1 3.98Å; F208-F212 HydrophobicContact CD2-CD1 3.98Å; F208-F212 HydrophobicContact CD2-CE1 4.21Å; F208-F212 HydrophobicContact CE2-CE1 4.45Å; F208-F212 HydrophobicContact CG-CD1 4.44Å; D209-F212 PolarHBondContact O-N 3.4Å; D209-F212 PolarHBondContact OD1-N 2.89Å; F212-Y266 HydrophobicContact CB-CD2 4.4Å; F212-Y266 HydrophobicContact CB-CE2 3.89Å; F212-Y266 HydrophobicContact CD1-CD2 4.12Å; F212-Y266 HydrophobicContact CD1-CE2 4.26Å; F212-Y266 HydrophobicContact CD1-CG 4.39Å; F212-Y266 HydrophobicContact CE1-CD2 4.42Å; F212-Y266 HydrophobicContact CE1-CG 4.4Å; F212-Y266 HydrophobicContact CG-CD2 4.16Å; F212-Y266 HydrophobicContact CG-CE2 4.14Å; F212-Y266 WeakPolarHBondContact O-CE2 3.45Å; F212-Y266 PolarHBondContact O-OH 2.76Å; F212-F270 HydrophobicContact CE1-CE2 4.33Å; F212-F270 HydrophobicContact CE1-CZ 4.36Å; F212-F270 HydrophobicContact CZ-CE2 4.39Å; F212-F311 HydrophobicContact CB-CD1 4.23Å; F212-F311 HydrophobicContact CB-CD2 3.9Å; F212-F311 HydrophobicContact CB-CE1 3.99Å; F212-F311 HydrophobicContact CB-CE2 3.63Å; F212-F311 HydrophobicContact CB-CG 4.19Å; F212-F311 HydrophobicContact CB-CZ 3.68Å; F212-F311 HydrophobicContact CD2-CB 3.69Å; F212-F311 AromaticContact CD2-CD1 3.76Å; F212-F311 HydrophobicContact CD2-CD1 3.76Å; F212-F311 AromaticContact CD2-CD2 3.96Å; F212-F311 HydrophobicContact CD2-CD2 3.96Å; F212-F311 HydrophobicContact CD2-CE1 4.32Å; F212-F311 HydrophobicContact CD2-CE2 4.49Å; F212-F311 AromaticContact CD2-CG 3.55Å; F212-F311 HydrophobicContact CD2-CG 3.55Å; F212-F311 HydrophobicContact CE2-CB 4.11Å; F212-F311 HydrophobicContact CE2-CD1 4.5Å; F212-F311 HydrophobicContact CE2-CG 4.37Å; F212-F311 HydrophobicContact CG-CD1 4.45Å; F212-F311 HydrophobicContact CG-CD2 4.49Å; F212-F311 HydrophobicContact CG-CG 4.4Å; F212-V314 HydrophobicContact CE2-CB 4.35Å; F212-V314 HydrophobicContact CE2-CG1 4.37Å; F212-V314 HydrophobicContact CZ-CB 4.47Å; F212-V314 HydrophobicContact CZ-CG1 4.02Å; F212-A315 HydrophobicContact CE2-CB 4.23Å; F212-A315 HydrophobicContact CZ-CB 4.44Å; F212-M319 HydrophobicContact CE1-CE 4.08Å; F212-M319 HydrophobicContact CE1-SD 3.49Å; F212-M319 WeakPolarHBondContact CE1-SD 3.27Å; F212-M319 HydrophobicContact CE2-SD 4.14Å; F212-M319 HydrophobicContact CZ-CE 4.34Å; F212-M319 HydrophobicContact CZ-CG 4.29Å; F212-M319 HydrophobicContact CZ-SD 3.17Å; F212-M319 WeakPolarHBondContact CZ-SD 3.46Å; F212-I326 HydrophobicContact CD1-CD1 3.75Å; F212-I326 HydrophobicContact CD2-CD1 4.34Å; F212-I326 HydrophobicContact CD2-CG2 4.25Å; F212-I326 HydrophobicContact CE1-CD1 3.95Å; F212-I326 HydrophobicContact CE1-CG1 4.32Å; F212-I326 HydrophobicContact CE2-CG1 4.37Å; F212-I326 HydrophobicContact CE2-CG2 4.47Å; F212-I326 HydrophobicContact CG-CD1 3.98Å; F212-I326 HydrophobicContact CZ-CD1 4.37Å; F212-I326 HydrophobicContact CZ-CG1 4.29Å
213Y93.4Very high94.3Very high143 Ų14340.9 Ų40.956%0.56122%0.216SC*.  trans-82.6141.4160.2-65.9-65.7000109.9F208 D209 S211 K215F208-Y213 WeakPolarHBondContact CA-O 3.49Å; D209-Y213 PolarHBondContact N-O 2.95Å; D209-Y213 VanDerWaalsContact N-O 3.1Å; D209-Y213 PolarHBondContact OD1-N 3.43Å; S211-Y213 PolarHBondContact O-N 3.43Å; Y213-K215 PolarHBondContact O-N 2.84Å
214Y95.8Very high94Very high77 Ų7744.3 Ų44.330%0.30224%0.237SC..EExtended strand (participates in β ladder)trans-64.3134.3172.8-177.1-97.8000109.8G206 R216 V235 A237 Y266G206-Y214 VanDerWaalsContact CA-OH 3.29Å; G206-Y214 WeakPolarHBondContact CA-OH 3.33Å; Y214-R216 HydrophobicContact CD1-CG 4.39Å; Y214-R216 HydrophobicContact CE1-CG 3.61Å; Y214-V235 HydrophobicContact CD2-CG1 4.38Å; Y214-V235 HydrophobicContact CE2-CG1 4.35Å; Y214-A237 HydrophobicContact CE2-CB 4.32Å; Y214-Y266 WeakPolarHBondContact CA-OH 3.42Å; Y214-Y266 PolarHBondContact N-OH 3.4Å
215K96.7Very high93.7Very high62 Ų6250 Ų5027%0.2727%0.265SS..EExtended strand (participates in β ladder)trans-131.7169.4178.6-63.3-60.4178.3-171.20109.8A207 D209 Y213 Y371A207-K215 HydrophobicContact CB-CB 4.31Å; A207-K215 PolarHBondContact N-O 2.67Å; A207-K215 PolarHBondContact O-N 2.63Å; D209-K215 HydrophobicContact CB-CG 4.03Å; D209-K215 VanDerWaalsContact CG-CE 3.42Å; D209-K215 WeakPolarHBondContact OD2-CE 3.47Å; D209-K215 IonicContact OD2-NZ 3.71Å; D209-K215 PolarHBondContact OD2-NZ 2.89Å; D209-K215 VanDerWaalsContact OD2-NZ 3.15Å; Y213-K215 PolarHBondContact O-N 2.84Å; K215-Y371 HydrophobicContact CB-CD2 4.06Å; K215-Y371 HydrophobicContact CB-CE1 4.09Å; K215-Y371 HydrophobicContact CB-CE2 3.48Å; K215-Y371 VanDerWaalsContact CB-CE2 3.48Å; K215-Y371 HydrophobicContact CD-CD1 4.29Å; K215-Y371 HydrophobicContact CD-CE1 3.81Å; K215-Y371 HydrophobicContact CG-CD1 4.1Å; K215-Y371 HydrophobicContact CG-CD2 4.27Å; K215-Y371 HydrophobicContact CG-CE1 3.87Å; K215-Y371 HydrophobicContact CG-CE2 4.03Å; K215-Y371 HydrophobicContact CG-CG 4.3Å
216R95.3Very high93.4Very high72 Ų7254.8 Ų54.827%0.27229%0.287SS..EExtended strand (participates in β ladder)trans-131.5125.1179.7-62.2-177.984.9-165.7-9109.1Q200 D201 A204 R205 Y214 Y371Q200-R216 VanDerWaalsContact NE2-NH1 3.14Å; D201-R216 IonicContact OD1-CZ 3.54Å; D201-R216 IonicContact OD1-NH1 3.23Å; D201-R216 IonicContact OD1-NH2 2.89Å; D201-R216 PolarHBondContact OD1-NH2 3.18Å; D201-R216 IonicContact OD2-CZ 2.74Å; D201-R216 VanDerWaalsContact OD2-CZ 3.24Å; D201-R216 IonicContact OD2-NH1 3.75Å; D201-R216 PolarHBondContact OD2-NH1 2.94Å; D201-R216 IonicContact OD2-NH2 3.78Å; D201-R216 PolarHBondContact OD2-NH2 3.14Å; A204-R216 HydrophobicContact CB-CB 3.89Å; A204-R216 HydrophobicContact CB-CG 4.5Å; R205-R216 CarbonylContact O-C 3.58Å; R205-R216 WeakPolarHBondContact O-CA 3.41Å; Y214-R216 HydrophobicContact CD1-CG 4.39Å; Y214-R216 HydrophobicContact CE1-CG 3.61Å; R216-Y371 PolarHBondContact O-OH 3.16Å
217L96.2Very high93.2Very high2 Ų256.7 Ų56.71%0.0130%0.299CS..EExtended strand (participates in β ladder)trans-92.2150.5171.8-65.9168.1000109.3A204 R205 A207 L367 A370 Y371A204-L217 WeakPolarHBondContact CB-O 3.41Å; R205-L217 HydrophobicContact CB-CB 4.28Å; R205-L217 PolarHBondContact N-O 2.94Å; R205-L217 PolarHBondContact O-N 3.29Å; A207-L217 HydrophobicContact CB-CD1 3.7Å; A207-L217 HydrophobicContact CB-CG 3.69Å; L217-L367 HydrophobicContact CD1-CB 4.35Å; L217-A370 HydrophobicContact CD2-CB 3.44Å; L217-A370 VanDerWaalsContact CD2-CB 3.44Å; L217-Y371 HydrophobicContact CD2-CD2 4.15Å; L217-Y371 HydrophobicContact CD2-CE2 3.76Å; L217-Y371 HydrophobicContact CG-CE2 4.37Å
218P94.3Very high93.1Very high91 Ų9158 Ų5859%0.59131%0.305SS*.PPolyproline II helixtrans-59.1151.9171.426.8-34000111R205R205-P218 PolarHBondContact NE-O 3Å; R205-P218 VanDerWaalsContact NE-O 3.07Å
219R94.1Very high93Very high38 Ų3860.8 Ų60.814%0.14332%0.322CS..PPolyproline II helixtrans-58.9152.6165.7-67.8177.667.21653.4109.7D202 D223 P227 F231D202-R219 WeakPolarHBondContact O-CD 3.21Å; D202-R219 PolarHBondContact O-NH1 3.45Å; R219-D223 HydrophobicContact CB-CB 4.17Å; R219-D223 PolarHBondContact NH2-O 3.37Å; R219-P227 PolarHBondContact NH1-O 2.86Å; R219-P227 PolarHBondContact NH2-O 2.94Å; R219-F231 HydrophobicContact CG-CE1 4.37Å; R219-F231 HydrophobicContact CG-CE2 4.27Å; R219-F231 HydrophobicContact CG-CZ 4.14Å
220L93.6Very high93.1Very high56 Ų5662.6 Ų62.629%0.29334%0.335SS..PPolyproline II helixtrans-70.2151.3176.5-58.6-178000109.1T222 D223 F365L220-T222 PolarHBondContact O-N 3.41Å; L220-T222 VanDerWaalsContact O-N 3.09Å; L220-D223 PolarHBondContact N-OD2 2.79Å; L220-D223 WeakPolarHBondContact O-CB 3.43Å; L220-D223 PolarHBondContact O-N 3.39Å; L220-F365 HydrophobicContact CD2-CE1 4.35Å; L220-F365 HydrophobicContact CD2-CZ 3.72Å
221S90.3Very high93.3Very high105 Ų10562.5 Ų62.573%0.73434%0.335SS*.THydrogen-bonded Turntrans-59.4-25.9-178.753.90000113.2D223 S224S221-D223 VanDerWaalsContact C-N 3.3Å; S221-S224 PolarHBondContact O-N 2.87Å
222T89.6Confident93.5Very high92 Ų9266.1 Ų66.156%0.56435%0.35SS*.THydrogen-bonded Turntrans-64.9-32.1173.947.20000112.8L220 S224L220-T222 PolarHBondContact O-N 3.41Å; L220-T222 VanDerWaalsContact O-N 3.09Å; T222-S224 VanDerWaalsContact C-N 3.28Å; T222-S224 PolarHBondContact O-N 3.27Å
223D89.4Confident93.6Very high23 Ų2366 Ų6612%0.12335%0.349CS..G310 helixtrans-74.8-22.3-176.4-50.6-28.9000111.6R219 L220 S221 L225 H226R219-D223 HydrophobicContact CB-CB 4.17Å; R219-D223 PolarHBondContact NH2-O 3.37Å; L220-D223 PolarHBondContact N-OD2 2.79Å; L220-D223 WeakPolarHBondContact O-CB 3.43Å; L220-D223 PolarHBondContact O-N 3.39Å; S221-D223 VanDerWaalsContact C-N 3.3Å; D223-L225 PolarHBondContact O-N 3.35Å; D223-H226 CarbonylContact O-C 3.6Å; D223-H226 VanDerWaalsContact O-C 3.25Å; D223-H226 PolarHBondContact O-N 2.96Å
224S83.7Confident93.9Very high87 Ų8759.2 Ų59.261%0.60832%0.323SS*.G310 helixtrans-67-22.1-179.6-58.40000113.6S221 T222 H226S221-S224 PolarHBondContact O-N 2.87Å; T222-S224 VanDerWaalsContact C-N 3.28Å; T222-S224 PolarHBondContact O-N 3.27Å; S224-H226 VanDerWaalsContact C-N 3.34Å
225L88.1Confident94Very high136 Ų13655.6 Ų55.671%0.71231%0.308SS*.G310 helixtrans-73.4-29.8177.5-67173.7000112.2D223D223-L225 PolarHBondContact O-N 3.35Å
226H92.3Very high94.1Very high106 Ų10652.7 Ų52.749%0.49130%0.296SS..SBendtrans-137.668.7-177.3-62.8-62.9000109.6D223 S224 E228 T229D223-H226 CarbonylContact O-C 3.6Å; D223-H226 VanDerWaalsContact O-C 3.25Å; D223-H226 PolarHBondContact O-N 2.96Å; S224-H226 VanDerWaalsContact C-N 3.34Å; H226-E228 PolarHBondContact O-N 3.46Å; H226-T229 HydrophobicContact CB-CG2 3.68Å; H226-T229 WeakPolarHBondContact CB-OG1 3.36Å; H226-T229 PolarHBondContact O-N 3.22Å; H226-T229 PolarHBondContact O-OG1 2.83Å
227P93.4Very high94Very high39 Ų3951.3 Ų51.325%0.25330%0.3SS..THydrogen-bonded Turntrans-60.1-22.8-171.125.5-35.8000113.5Y50 R219 P283Y50-P227 HydrophobicContact CD1-CB 4.5Å; Y50-P227 HydrophobicContact CD1-CG 4.32Å; Y50-P227 HydrophobicContact CE1-CB 4Å; Y50-P227 HydrophobicContact CE1-CG 4.22Å; Y50-P227 HydrophobicContact CE2-CB 4.2Å; Y50-P227 WeakPolarHBondContact CE2-O 3.49Å; R219-P227 PolarHBondContact NH1-O 2.86Å; R219-P227 PolarHBondContact NH2-O 2.94Å; P227-P283 WeakPolarHBondContact O-CB 3.38Å; P227-P283 VanDerWaalsContact O-CG 3.28Å; P227-P283 WeakPolarHBondContact O-CG 3.47Å
228E95Very high93.7Very high28 Ų2851.4 Ų51.413%0.13130%0.301CS..THydrogen-bonded Turntrans-77-18.717775.3-82.6-158.200114.8Y50 N52 H226 C284Y50-E228 HydrophobicContact CD2-CB 3.86Å; Y50-E228 HydrophobicContact CG-CB 4.07Å; N52-E228 HydrophobicContact CB-CB 4.43Å; N52-E228 HydrophobicContact CB-CG 3.78Å; N52-E228 WeakPolarHBondContact CB-OE1 3.48Å; N52-E228 PolarHBondContact ND2-OE1 3.17Å; H226-E228 PolarHBondContact O-N 3.46Å; E228-C284 PolarHBondContact O-SG 3.02Å
229T95.4Very high93.6Very high58 Ų5847.6 Ų47.636%0.35628%0.278SS..SBendtrans-82148.5-174.861.40000111.8H226 P283H226-T229 HydrophobicContact CB-CG2 3.68Å; H226-T229 WeakPolarHBondContact CB-OG1 3.36Å; H226-T229 PolarHBondContact O-N 3.22Å; H226-T229 PolarHBondContact O-OG1 2.83Å; T229-P283 WeakPolarHBondContact O-CD 3.47Å; T229-P283 WeakPolarHBondContact O-CG 3.16Å
230P97.2Very high93.8Very high63 Ų6346 Ų4641%0.40927%0.273SS..  trans-60.2142.9177.2-22.432.9000112.7I280 D281 V282P230-I280 HydrophobicContact CB-CB 4.48Å; P230-I280 HydrophobicContact CB-CD1 3.79Å; P230-I280 HydrophobicContact CB-CG1 4.38Å; P230-D281 WeakPolarHBondContact CA-O 3.48Å; P230-V282 HydrophobicContact CB-CG2 4.34Å; P230-V282 HydrophobicContact CG-CG1 4.37Å; P230-V282 HydrophobicContact CG-CG2 4.4Å
231F97.4Very high94.1Very high5 Ų543.4 Ų43.42%0.02226%0.259CS..EExtended strand (participates in β ladder)trans-133.7155.8178.662.6-94.3000111.4F186 R205 R219 I280 D281 P283F186-F231 AromaticContact CE1-CE1 3.61Å; F186-F231 HydrophobicContact CE1-CE1 3.61Å; F186-F231 AromaticContact CE1-CZ 3.9Å; F186-F231 HydrophobicContact CE1-CZ 3.9Å; F186-F231 AromaticContact CZ-CE1 3.8Å; F186-F231 HydrophobicContact CZ-CE1 3.8Å; F186-F231 HydrophobicContact CZ-CZ 4.26Å; R205-F231 HydrophobicContact CG-CD2 3.82Å; R205-F231 HydrophobicContact CG-CE2 3.79Å; R219-F231 HydrophobicContact CG-CE1 4.37Å; R219-F231 HydrophobicContact CG-CE2 4.27Å; R219-F231 HydrophobicContact CG-CZ 4.14Å; F231-I280 CarbonylContact O-C 3.52Å; F231-I280 WeakPolarHBondContact O-CA 3.14Å; F231-I280 WeakPolarHBondContact O-CB 3.13Å; F231-D281 HydrophobicContact CD1-CB 4.48Å; F231-D281 HydrophobicContact CD2-CB 4.3Å; F231-D281 HydrophobicContact CE1-CB 3.92Å; F231-D281 HydrophobicContact CE2-CB 3.68Å; F231-D281 WeakPolarHBondContact CE2-OD2 3.16Å; F231-D281 HydrophobicContact CZ-CB 3.48Å; F231-D281 VanDerWaalsContact CZ-CB 3.48Å; F231-D281 PolarHBondContact N-O 3.37Å; F231-D281 VanDerWaalsContact N-O 3.11Å; F231-D281 PolarHBondContact O-N 3.38Å; F231-P283 HydrophobicContact CD1-CG 4.18Å; F231-P283 HydrophobicContact CE1-CG 4.05Å
232E97.4Very high94.5Very high103 Ų10338.4 Ų38.448%0.48122%0.224SC..EExtended strand (participates in β ladder)trans-75.6137.8-176.4-61.9-170.9154.100112.3R205 W273 I280R205-E232 WeakPolarHBondContact CD-O 3.23Å; R205-E232 WeakPolarHBondContact CG-O 3.47Å; E232-W273 HydrophobicContact CB-CH2 4.02Å; E232-W273 HydrophobicContact CB-CZ2 4.09Å; E232-W273 HydrophobicContact CG-CH2 4Å; E232-I280 HydrophobicContact CG-CG2 4.26Å
233S97.7Very high94.9Very high0 Ų034 Ų340%020%0.197CC..  trans-128.5122.7-177-1510000109.4G206 V235 W273 L279 D281G206-S233 PolarHBondContact N-OG 3.22Å; S233-V235 PolarHBondContact O-N 2.86Å; S233-W273 PolarHBondContact O-NE1 2.99Å; S233-L279 PolarHBondContact N-O 2.88Å; S233-L279 WeakPolarHBondContact O-CD2 3.31Å; S233-L279 WeakPolarHBondContact O-CG 3.4Å; S233-D281 WeakPolarHBondContact CB-OD2 3.48Å; S233-D281 PolarHBondContact OG-OD2 3.44Å
234P98.5Very high95.4Very high1 Ų133.4 Ų33.41%0.00620%0.195CC..SBendtrans-61.9-39.9-178.8-25.633.2000114G206 W273 F359 V363 A364G206-P234 WeakPolarHBondContact O-CB 3.27Å; G206-P234 VanDerWaalsContact O-CD 3.27Å; G206-P234 WeakPolarHBondContact O-CD 3.4Å; P234-W273 PolarHBondContact O-NE1 2.96Å; P234-F359 HydrophobicContact CB-CE2 4.41Å; P234-F359 HydrophobicContact CB-CZ 3.96Å; P234-V363 HydrophobicContact CB-CG1 3.97Å; P234-V363 HydrophobicContact CG-CG1 4.19Å; P234-A364 HydrophobicContact CB-CB 4.19Å; P234-A364 HydrophobicContact CG-CB 4.42Å
235V98.6Very high96.1Very high0 Ų033.4 Ų33.40%018%0.181CC..SBendtrans-138.1132.4-176.9173.10000110.6G206 F208 Y214 S233 Q265 Y266 S269 F270 F359G206-V235 CarbonylContact C-O 3.44Å; G206-V235 WeakPolarHBondContact CA-O 3.49Å; G206-V235 PolarHBondContact O-N 3.2Å; F208-V235 HydrophobicContact CD1-CG2 3.85Å; F208-V235 HydrophobicContact CE1-CG2 4.24Å; Y214-V235 HydrophobicContact CD2-CG1 4.38Å; Y214-V235 HydrophobicContact CE2-CG1 4.35Å; S233-V235 PolarHBondContact O-N 2.86Å; V235-Q265 HydrophobicContact CG1-CG 4.49Å; V235-Y266 HydrophobicContact CG1-CD1 3.65Å; V235-Y266 HydrophobicContact CG1-CE1 3.81Å; V235-Y266 HydrophobicContact CG2-CD1 4.34Å; V235-S269 WeakPolarHBondContact CA-OG 3.14Å; V235-F270 HydrophobicContact CG2-CE1 4.16Å; V235-F359 HydrophobicContact CG2-CZ 4.44Å
236M97.9Very high96.6Very high2 Ų232.5 Ų32.51%0.0117%0.172CC..  trans-77.6154.3172.865.2-17671.300111.5V182 G238 F241 Q265 L268 S269 I272 L279V182-M236 HydrophobicContact CG1-CE 4.02Å; M236-G238 PolarHBondContact O-N 2.89Å; M236-F241 HydrophobicContact SD-CB 4.41Å; M236-F241 HydrophobicContact SD-CD1 3.91Å; M236-F241 HydrophobicContact SD-CD2 4.36Å; M236-F241 HydrophobicContact SD-CE1 4.24Å; M236-F241 HydrophobicContact SD-CG 3.98Å; M236-Q265 HydrophobicContact CG-CB 4.29Å; M236-L268 HydrophobicContact CE-CD2 4.04Å; M236-L268 HydrophobicContact CE-CG 4.1Å; M236-L268 HydrophobicContact SD-CD2 4.14Å; M236-S269 PolarHBondContact N-OG 2.91Å; M236-I272 HydrophobicContact CE-CD1 3.47Å; M236-I272 VanDerWaalsContact CE-CD1 3.47Å; M236-L279 HydrophobicContact CB-CD1 4.39Å; M236-L279 HydrophobicContact CB-CD2 3.93Å; M236-L279 HydrophobicContact CE-CD1 3.77Å; M236-L279 HydrophobicContact CE-CD2 4.01Å
237A93.9Very high96.9Very high43 Ų4327.5 Ų27.536%0.35515%0.148SC..  trans-62.6-24.7170.100000112.5I187 Y214 G239I187-A237 HydrophobicContact CD1-CB 3.78Å; Y214-A237 HydrophobicContact CE2-CB 4.32Å; A237-G239 VanDerWaalsContact C-N 3.34Å; A237-G239 PolarHBondContact O-N 3.48Å
238G89.9Confident97.2Very high3 Ų325.6 Ų25.63%0.03114%0.136CC..SBendtrans92.8-23.7175.800000114R142 M236R142-G238 PolarHBondContact NH1-O 3.48Å; R142-G238 PolarHBondContact NH2-O 2.04Å; M236-G238 PolarHBondContact O-N 2.89Å
239G92.9Very high97.3Very high12 Ų1228.5 Ų28.512%0.12415%0.146CC..SBendtrans-63.5-52.3179.500000113.2R142 A237R142-G239 PolarHBondContact NH2-O 3.33Å; A237-G239 VanDerWaalsContact C-N 3.34Å; A237-G239 PolarHBondContact O-N 3.48Å
240L98.3Very high97.5Very high4 Ų428.2 Ų28.22%0.02114%0.141CC..SBendtrans-132.9115.6-163.6-43.1178.6000110F156 L157 D158 C161 P185 I187 V287F156-L240 WeakPolarHBondContact O-CA 3.36Å; L157-L240 HydrophobicContact CB-CD2 4.26Å; L157-L240 HydrophobicContact CD2-CB 4.17Å; L157-L240 HydrophobicContact CD2-CD2 3.85Å; L157-L240 HydrophobicContact CD2-CG 4.46Å; D158-L240 HydrophobicContact CB-CD2 4.35Å; C161-L240 VanDerWaalsContact SG-CD2 3.55Å; P185-L240 WeakPolarHBondContact CD-O 3.41Å; P185-L240 HydrophobicContact CG-CB 3.91Å; I187-L240 HydrophobicContact CD1-CD1 4.26Å; I187-L240 HydrophobicContact CD1-CG 4.35Å; I187-L240 HydrophobicContact CG1-CD1 4.09Å; I187-L240 HydrophobicContact CG2-CD1 4.12Å; L240-V287 HydrophobicContact CD1-CB 3.88Å; L240-V287 HydrophobicContact CD1-CG1 3.75Å
241F98.8Very high97.6Very high1 Ų125.2 Ų25.20%0.00412%0.121CC..EExtended strand (participates in β ladder)trans-162.5159177.768.3-80.4000112.3I155 F156 V182 T183 M236 I243 Y254 L268I155-F241 WeakPolarHBondContact CA-O 3.45Å; F156-F241 HydrophobicContact CB-CD1 4.15Å; F156-F241 HydrophobicContact CB-CE1 3.8Å; F156-F241 HydrophobicContact CB-CZ 4.27Å; F156-F241 HydrophobicContact CD2-CD1 4.25Å; F156-F241 HydrophobicContact CD2-CD2 4.15Å; F156-F241 AromaticContact CD2-CE1 3.56Å; F156-F241 HydrophobicContact CD2-CE1 3.56Å; F156-F241 AromaticContact CD2-CE2 3.44Å; F156-F241 HydrophobicContact CD2-CE2 3.44Å; F156-F241 VanDerWaalsContact CD2-CE2 3.44Å; F156-F241 AromaticContact CD2-CZ 3.1Å; F156-F241 HydrophobicContact CD2-CZ 3.1Å; F156-F241 HydrophobicContact CE2-CE1 4.39Å; F156-F241 AromaticContact CE2-CE2 3.75Å; F156-F241 HydrophobicContact CE2-CE2 3.75Å; F156-F241 AromaticContact CE2-CZ 3.54Å; F156-F241 HydrophobicContact CE2-CZ 3.54Å; F156-F241 AromaticContact CG-CE1 3.89Å; F156-F241 HydrophobicContact CG-CE1 3.89Å; F156-F241 AromaticContact CG-CZ 3.86Å; F156-F241 HydrophobicContact CG-CZ 3.86Å; F156-F241 PolarHBondContact N-O 2.89Å; F156-F241 PolarHBondContact O-N 2.99Å; V182-F241 HydrophobicContact CG1-CD2 3.93Å; T183-F241 CarbonylContact O-C 3.54Å; T183-F241 WeakPolarHBondContact O-CA 3.5Å; M236-F241 HydrophobicContact SD-CB 4.41Å; M236-F241 HydrophobicContact SD-CD1 3.91Å; M236-F241 HydrophobicContact SD-CD2 4.36Å; M236-F241 HydrophobicContact SD-CE1 4.24Å; M236-F241 HydrophobicContact SD-CG 3.98Å; F241-I243 HydrophobicContact CD2-CB 4.31Å; F241-I243 HydrophobicContact CD2-CG2 4.2Å; F241-I243 HydrophobicContact CE2-CB 4.25Å; F241-I243 HydrophobicContact CE2-CG2 3.75Å; F241-Y254 WeakPolarHBondContact CE1-OH 3.33Å; F241-Y254 WeakPolarHBondContact CZ-OH 3.47Å; F241-L268 HydrophobicContact CD2-CD2 4.48Å; F241-L268 HydrophobicContact CE1-CD2 4.45Å; F241-L268 HydrophobicContact CE2-CD2 3.6Å; F241-L268 HydrophobicContact CZ-CD2 3.58Å
242A98.9Very high97.6Very high0 Ų026.4 Ų26.40%014%0.135CC..EExtended strand (participates in β ladder)trans-117.1136.7172.900000111.1V153 L154 I155 L171 I175 V182 T183V153-A242 HydrophobicContact CG1-CB 4.12Å; L154-A242 CarbonylContact O-C 3.58Å; L154-A242 WeakPolarHBondContact O-CA 3.22Å; I155-A242 HydrophobicContact CD1-CB 4.29Å; I155-A242 HydrophobicContact CG1-CB 3.81Å; L171-A242 HydrophobicContact CB-CB 4.22Å; I175-A242 HydrophobicContact CD1-CB 3.85Å; V182-A242 WeakPolarHBondContact CA-O 3.36Å; V182-A242 WeakPolarHBondContact CG1-O 3.43Å; T183-A242 PolarHBondContact N-O 3.15Å; T183-A242 PolarHBondContact O-N 2.93Å
243I98.9Very high97.6Very high0 Ų021.5 Ų21.50%011%0.112CC..EExtended strand (participates in β ladder)trans-144140.7-179.8-175.2163.7000109.9V153 L154 F156 V182 F241 R245 W247 F248 L251V153-I243 WeakPolarHBondContact CA-O 3.04Å; L154-I243 HydrophobicContact CB-CG2 4.15Å; L154-I243 PolarHBondContact N-O 3.16Å; L154-I243 PolarHBondContact O-N 3.36Å; F156-I243 HydrophobicContact CE2-CG2 4.11Å; V182-I243 HydrophobicContact CG1-CB 4.3Å; V182-I243 HydrophobicContact CG2-CB 4.19Å; V182-I243 HydrophobicContact CG2-CD1 3.61Å; V182-I243 HydrophobicContact CG2-CG1 3.75Å; F241-I243 HydrophobicContact CD2-CB 4.31Å; F241-I243 HydrophobicContact CD2-CG2 4.2Å; F241-I243 HydrophobicContact CE2-CB 4.25Å; F241-I243 HydrophobicContact CE2-CG2 3.75Å; I243-R245 PolarHBondContact O-N 3.47Å; I243-W247 HydrophobicContact CG1-CB 4.37Å; I243-F248 HydrophobicContact CD1-CB 4.01Å; I243-F248 HydrophobicContact CD1-CD2 4.16Å; I243-F248 HydrophobicContact CG1-CB 4.17Å; I243-F248 HydrophobicContact CG2-CB 4.03Å; I243-F248 HydrophobicContact CG2-CD2 3.99Å; I243-F248 HydrophobicContact CG2-CG 4.34Å; I243-L251 HydrophobicContact CD1-CD1 4.47Å
244S98.9Very high97.6Very high11 Ų1121.5 Ų21.58%0.07711%0.112CC..EExtended strand (participates in β ladder)trans-54.7131.5169.4174.30000110.3Y179 K246 W247 F248Y179-S244 WeakPolarHBondContact O-CB 3.07Å; S244-K246 PolarHBondContact O-N 3.02Å; S244-K246 PolarHBondContact OG-N 3.02Å; S244-W247 PolarHBondContact O-N 3.17Å; S244-F248 PolarHBondContact O-N 2.82Å
245R98.8Very high97.6Very high86 Ų8621.7 Ų21.733%0.32511%0.113SC..Hα-helixtrans-56.9-40.3175.7-176.5174.657.684.52.1110.9A149 G151 D152 L154 I243 W249A149-R245 WeakPolarHBondContact O-CD 3.43Å; G151-R245 VanDerWaalsContact O-CD 3.28Å; G151-R245 WeakPolarHBondContact O-CD 3.43Å; G151-R245 PolarHBondContact O-NE 3.38Å; D152-R245 WeakPolarHBondContact O-CB 3.45Å; D152-R245 PolarHBondContact O-N 3.21Å; L154-R245 HydrophobicContact CD1-CB 4.28Å; L154-R245 HydrophobicContact CD1-CG 4.19Å; L154-R245 HydrophobicContact CD2-CB 4.1Å; L154-R245 HydrophobicContact CD2-CG 4.02Å; L154-R245 HydrophobicContact CG-CB 3.87Å; L154-R245 HydrophobicContact CG-CG 4.13Å; I243-R245 PolarHBondContact O-N 3.47Å; R245-W249 PolarHBondContact O-N 2.67Å
246K98.7Very high97.5Very high117 Ų11724.1 Ų24.151%0.50913%0.128SC..Hα-helixtrans-57.2-51.9173.2175.8178.2172.6177.50110.9Y179 S244 W249 E250Y179-K246 HydrophobicContact CD2-CB 4.49Å; Y179-K246 HydrophobicContact CD2-CD 4.04Å; Y179-K246 HydrophobicContact CD2-CG 4.22Å; Y179-K246 HydrophobicContact CE2-CD 3.91Å; Y179-K246 HydrophobicContact CE2-CG 4.09Å; S244-K246 PolarHBondContact O-N 3.02Å; S244-K246 PolarHBondContact OG-N 3.02Å; K246-W249 PolarHBondContact O-N 3.21Å; K246-E250 WeakPolarHBondContact CE-OE1 3.17Å; K246-E250 WeakPolarHBondContact CG-OE1 3.26Å; K246-E250 IonicContact NZ-OE1 2.79Å; K246-E250 WeakPolarHBondContact O-CG 3.06Å; K246-E250 PolarHBondContact O-N 2.73Å
247W98.8Very high97.4Very high1 Ų126.9 Ų26.90%0.00414%0.143CC..Hα-helixtrans-66.1-40.6-178.2-173.6-134.9000113.1Y179 R180 I243 S244 W249 E250 L251 C275Y179-W247 HydrophobicContact CD2-CB 4.02Å; Y179-W247 HydrophobicContact CE2-CB 4.39Å; Y179-W247 HydrophobicContact CE2-CE3 4.38Å; Y179-W247 WeakPolarHBondContact O-CB 3.45Å; R180-W247 HydrophobicContact CB-CD2 4.1Å; R180-W247 HydrophobicContact CB-CG 4.37Å; R180-W247 HydrophobicContact CB-CZ2 4.38Å; R180-W247 HydrophobicContact CG-CD2 3.83Å; R180-W247 HydrophobicContact CG-CE3 3.84Å; R180-W247 HydrophobicContact CG-CG 4.32Å; R180-W247 HydrophobicContact CG-CH2 4.49Å; R180-W247 HydrophobicContact CG-CZ2 4.42Å; R180-W247 HydrophobicContact CG-CZ3 4.21Å; R180-W247 VanDerWaalsContact CZ-CZ3 3.41Å; R180-W247 PolarHBondContact O-NE1 3.38Å; I243-W247 HydrophobicContact CG1-CB 4.37Å; S244-W247 PolarHBondContact O-N 3.17Å; W247-W249 VanDerWaalsContact C-N 3.28Å; W247-W249 PolarHBondContact O-N 2.95Å; W247-E250 HydrophobicContact CE3-CB 3.69Å; W247-E250 HydrophobicContact CE3-CG 4.42Å; W247-E250 VanDerWaalsContact CE3-OE2 3.23Å; W247-E250 HydrophobicContact CZ3-CB 3.91Å; W247-E250 VanDerWaalsContact CZ3-OE2 3.32Å; W247-E250 WeakPolarHBondContact CZ3-OE2 3.36Å; W247-E250 PolarHBondContact O-N 3.34Å; W247-L251 HydrophobicContact CD2-CD1 4.23Å; W247-L251 HydrophobicContact CD2-CG 4.04Å; W247-L251 HydrophobicContact CE3-CG 4.34Å; W247-L251 HydrophobicContact CG-CD1 4.49Å; W247-L251 HydrophobicContact CH2-CD2 3.59Å; W247-L251 HydrophobicContact CH2-CG 4.08Å; W247-L251 HydrophobicContact CZ2-CD1 3.97Å; W247-L251 HydrophobicContact CZ2-CD2 3.52Å; W247-L251 HydrophobicContact CZ2-CG 3.81Å; W247-L251 HydrophobicContact CZ3-CD2 4.19Å; W247-L251 HydrophobicContact CZ3-CG 4.34Å; W247-L251 WeakPolarHBondContact O-CG 3.03Å; W247-L251 PolarHBondContact O-N 2.71Å; W247-C275 HydrophobicContact CH2-CB 4.49Å; W247-C275 WeakPolarHBondContact CH2-O 3.23Å
248F98.8Very high97.5Very high0 Ų024.8 Ų24.80%013%0.126CC..Hα-helixtrans-55.1-44.6175.3-175.8-100.3000111.5L143 A146 L154 F156 I243 S244 L251 G252 G253 Y254L143-F248 HydrophobicContact CD2-CE1 4.07Å; L143-F248 HydrophobicContact CD2-CZ 3.92Å; A146-F248 HydrophobicContact CB-CD1 4.47Å; A146-F248 HydrophobicContact CB-CE1 3.89Å; A146-F248 HydrophobicContact CB-CZ 4.49Å; L154-F248 HydrophobicContact CD1-CB 4.01Å; L154-F248 HydrophobicContact CD1-CD1 3.78Å; L154-F248 HydrophobicContact CD1-CE1 4.41Å; L154-F248 HydrophobicContact CD1-CG 3.9Å; F156-F248 HydrophobicContact CE2-CD2 4.46Å; F156-F248 HydrophobicContact CE2-CE2 4.2Å; F156-F248 HydrophobicContact CZ-CE2 4.15Å; F156-F248 HydrophobicContact CZ-CZ 4.14Å; I243-F248 HydrophobicContact CD1-CB 4.01Å; I243-F248 HydrophobicContact CD1-CD2 4.16Å; I243-F248 HydrophobicContact CG1-CB 4.17Å; I243-F248 HydrophobicContact CG2-CB 4.03Å; I243-F248 HydrophobicContact CG2-CD2 3.99Å; I243-F248 HydrophobicContact CG2-CG 4.34Å; S244-F248 PolarHBondContact O-N 2.82Å; F248-L251 PolarHBondContact O-N 3.32Å; F248-G252 PolarHBondContact O-N 3Å; F248-G253 WeakPolarHBondContact O-CA 3.46Å; F248-G253 PolarHBondContact O-N 3.48Å; F248-Y254 HydrophobicContact CE2-CD2 4.4Å; F248-Y254 HydrophobicContact CE2-CE2 4.34Å; F248-Y254 HydrophobicContact CZ-CD2 4.15Å; F248-Y254 HydrophobicContact CZ-CE2 4.4Å
249W98.6Very high97.7Very high89 Ų8925.7 Ų25.734%0.33713%0.129SC..Hα-helixtrans-79.1-29.3178.9-66.3123000114.3L143 A146 K147 R245 K246 W247 L251 G252L143-W249 HydrophobicContact CD2-CH2 4.38Å; A146-W249 HydrophobicContact CB-CH2 4.38Å; A146-W249 HydrophobicContact CB-CZ2 3.9Å; K147-W249 HydrophobicContact CG-CH2 3.73Å; K147-W249 HydrophobicContact CG-CZ2 4.01Å; R245-W249 PolarHBondContact O-N 2.67Å; K246-W249 PolarHBondContact O-N 3.21Å; W247-W249 VanDerWaalsContact C-N 3.28Å; W247-W249 PolarHBondContact O-N 2.95Å; W249-L251 VanDerWaalsContact C-N 3.27Å; W249-L251 PolarHBondContact O-N 3.42Å; W249-G252 WeakPolarHBondContact O-CA 3.23Å; W249-G252 PolarHBondContact O-N 3.21Å
250E98.5Very high97.7Very high52 Ų5225.4 Ų25.424%0.24313%0.125CC..Hα-helixtrans-58.8-41.6168-78.8-179.4-158.300110.9R180 K246 W247 G252R180-E250 IonicContact CZ-OE2 3.66Å; R180-E250 IonicContact NE-OE2 2.82Å; R180-E250 IonicContact NH2-OE2 3.65Å; R180-E250 PolarHBondContact NH2-OE2 3.3Å; K246-E250 WeakPolarHBondContact CE-OE1 3.17Å; K246-E250 WeakPolarHBondContact CG-OE1 3.26Å; K246-E250 IonicContact NZ-OE1 2.79Å; K246-E250 WeakPolarHBondContact O-CG 3.06Å; K246-E250 PolarHBondContact O-N 2.73Å; W247-E250 HydrophobicContact CE3-CB 3.69Å; W247-E250 HydrophobicContact CE3-CG 4.42Å; W247-E250 VanDerWaalsContact CE3-OE2 3.23Å; W247-E250 HydrophobicContact CZ3-CB 3.91Å; W247-E250 VanDerWaalsContact CZ3-OE2 3.32Å; W247-E250 WeakPolarHBondContact CZ3-OE2 3.36Å; W247-E250 PolarHBondContact O-N 3.34Å; E250-G252 PolarHBondContact O-N 3.43Å
251L98.6Very high97.4Very high0 Ų031.6 Ų31.60%015%0.148CC..THydrogen-bonded Turntrans-72.2-0.5173-67.8-179.7000114.1I243 W247 F248 W249 G253 L268 K271 I272 C275 L347 L351I243-L251 HydrophobicContact CD1-CD1 4.47Å; W247-L251 HydrophobicContact CD2-CD1 4.23Å; W247-L251 HydrophobicContact CD2-CG 4.04Å; W247-L251 HydrophobicContact CE3-CG 4.34Å; W247-L251 HydrophobicContact CG-CD1 4.49Å; W247-L251 HydrophobicContact CH2-CD2 3.59Å; W247-L251 HydrophobicContact CH2-CG 4.08Å; W247-L251 HydrophobicContact CZ2-CD1 3.97Å; W247-L251 HydrophobicContact CZ2-CD2 3.52Å; W247-L251 HydrophobicContact CZ2-CG 3.81Å; W247-L251 HydrophobicContact CZ3-CD2 4.19Å; W247-L251 HydrophobicContact CZ3-CG 4.34Å; W247-L251 WeakPolarHBondContact O-CG 3.03Å; W247-L251 PolarHBondContact O-N 2.71Å; F248-L251 PolarHBondContact O-N 3.32Å; W249-L251 VanDerWaalsContact C-N 3.27Å; W249-L251 PolarHBondContact O-N 3.42Å; L251-G253 VanDerWaalsContact C-N 3.29Å; L251-G253 PolarHBondContact O-N 3.32Å; L251-L268 HydrophobicContact CD1-CD1 4.11Å; L251-K271 HydrophobicContact CD1-CB 4.23Å; L251-K271 HydrophobicContact CD2-CB 4.12Å; L251-K271 WeakPolarHBondContact O-CE 3.33Å; L251-K271 PolarHBondContact O-NZ 3.46Å; L251-I272 HydrophobicContact CD1-CG1 3.88Å; L251-C275 HydrophobicContact CD2-CB 3.93Å; L251-L347 WeakPolarHBondContact O-CD2 3.41Å; L251-L351 HydrophobicContact CD2-CD1 4.22Å
252G97.9Very high97.1Very high29 Ų2931.6 Ų31.630%0.29915%0.149SC..THydrogen-bonded Turntrans73.215.5-177.800000114.7F248 W249 E250F248-G252 PolarHBondContact O-N 3Å; W249-G252 WeakPolarHBondContact O-CA 3.23Å; W249-G252 PolarHBondContact O-N 3.21Å; E250-G252 PolarHBondContact O-N 3.43Å
253G97.8Very high97Very high0 Ų031.6 Ų31.60%015%0.149CC..SBendtrans62.8-156.2-172.600000112.6F248 L251 K271F248-G253 WeakPolarHBondContact O-CA 3.46Å; F248-G253 PolarHBondContact O-N 3.48Å; L251-G253 VanDerWaalsContact C-N 3.29Å; L251-G253 PolarHBondContact O-N 3.32Å; G253-K271 PolarHBondContact O-NZ 2.88Å
254Y98Very high96.9Very high1 Ų132.1 Ų32.10%0.00415%0.151CC..SBendtrans-70.4151.9164-62.4-59.3000111.1I139 R142 L143 F241 F248 P256 E264 E267 L268I139-Y254 HydrophobicContact CG2-CD2 3.9Å; I139-Y254 HydrophobicContact CG2-CG 3.84Å; R142-Y254 HydrophobicContact CB-CE2 4.29Å; L143-Y254 HydrophobicContact CD2-CD2 4.21Å; L143-Y254 HydrophobicContact CG-CD2 4.17Å; F241-Y254 WeakPolarHBondContact CE1-OH 3.33Å; F241-Y254 WeakPolarHBondContact CZ-OH 3.47Å; F248-Y254 HydrophobicContact CE2-CD2 4.4Å; F248-Y254 HydrophobicContact CE2-CE2 4.34Å; F248-Y254 HydrophobicContact CZ-CD2 4.15Å; F248-Y254 HydrophobicContact CZ-CE2 4.4Å; Y254-P256 VanDerWaalsContact O-CD 3.3Å; Y254-P256 WeakPolarHBondContact O-CD 3.2Å; Y254-P256 VanDerWaalsContact O-N 3.13Å; Y254-E264 HydrophobicContact CD1-CB 3.73Å; Y254-E264 HydrophobicContact CD1-CG 4.45Å; Y254-E264 HydrophobicContact CE1-CB 3.7Å; Y254-E264 HydrophobicContact CE1-CG 3.96Å; Y254-E264 HydrophobicContact CG-CB 4.4Å; Y254-E267 WeakPolarHBondContact CA-OE2 3.49Å; Y254-L268 HydrophobicContact CD1-CB 4.25Å; Y254-L268 HydrophobicContact CE1-CB 3.79Å; Y254-L268 HydrophobicContact CE1-CD2 3.69Å; Y254-L268 HydrophobicContact CE1-CG 4.3Å
255D98.1Very high96.8Very high4 Ų432.6 Ų32.62%0.02115%0.152CC..  trans-59.6114.9166.3171.88.1000109.3L257 L258 E267 R313 Q344D255-L257 PolarHBondContact O-N 3.08Å; D255-L257 PolarHBondContact OD1-N 3.18Å; D255-L258 HydrophobicContact CB-CD1 4.12Å; D255-L258 HydrophobicContact CB-CG 3.91Å; D255-L258 WeakPolarHBondContact O-CB 3.08Å; D255-L258 PolarHBondContact O-N 3.18Å; D255-E267 WeakPolarHBondContact CB-OE1 3.42Å; D255-E267 VanDerWaalsContact N-CD 3.33Å; D255-E267 PolarHBondContact N-OE1 2.87Å; D255-E267 PolarHBondContact N-OE2 2.82Å; D255-R313 VanDerWaalsContact CG-NH2 3.3Å; D255-R313 IonicContact OD1-CZ 2.89Å; D255-R313 IonicContact OD1-NE 3.96Å; D255-R313 IonicContact OD1-NH2 3.68Å; D255-R313 PolarHBondContact OD1-NH2 3.29Å; D255-R313 IonicContact OD2-CZ 2.78Å; D255-R313 IonicContact OD2-NE 3.85Å; D255-R313 PolarHBondContact OD2-NE 3.39Å; D255-R313 IonicContact OD2-NH2 3.02Å; D255-R313 PolarHBondContact OD2-NH2 2.9Å; D255-Q344 HydrophobicContact CB-CG 4.27Å; D255-Q344 PolarHBondContact OD1-NE2 3.24Å
256P96.2Very high96.8Very high51 Ų5128.6 Ų28.633%0.33114%0.137SC..THydrogen-bonded Turntrans-66.5-12.6-174.328.7-36.4000112.6R140 L143 Y254R140-P256 PolarHBondContact NE-O 3.4Å; R140-P256 PolarHBondContact NH2-O 3.45Å; L143-P256 HydrophobicContact CD1-CB 4.26Å; Y254-P256 VanDerWaalsContact O-CD 3.3Å; Y254-P256 WeakPolarHBondContact O-CD 3.2Å; Y254-P256 VanDerWaalsContact O-N 3.13Å
257L96Very high96.8Very high60 Ų6023.1 Ų23.131%0.31411%0.113SC..THydrogen-bonded Turntrans-92.43.5174.9-60.1-174.3000113.2D255 H259 R309D255-L257 PolarHBondContact O-N 3.08Å; D255-L257 PolarHBondContact OD1-N 3.18Å; L257-H259 PolarHBondContact O-CD2 2.84Å; L257-R309 PolarHBondContact O-NH1 3.41Å
258L96.4Very high96.8Very high0 Ų023 Ų230%011%0.113CC..  trans-73.8132.5161-59.3175.6000109.2I139 D255 E264 E267 N310 R313 V314I139-L258 HydrophobicContact CD1-CB 3.58Å; I139-L258 HydrophobicContact CG2-CB 4.28Å; D255-L258 HydrophobicContact CB-CD1 4.12Å; D255-L258 HydrophobicContact CB-CG 3.91Å; D255-L258 WeakPolarHBondContact O-CB 3.08Å; D255-L258 PolarHBondContact O-N 3.18Å; L258-E264 HydrophobicContact CD1-CB 4.18Å; L258-E267 HydrophobicContact CD1-CB 4.32Å; L258-E267 HydrophobicContact CD1-CG 4.46Å; L258-E267 VanDerWaalsContact CD1-OE2 3.27Å; L258-E267 WeakPolarHBondContact CD1-OE2 3.33Å; L258-N310 WeakPolarHBondContact CA-OD1 3.44Å; L258-N310 HydrophobicContact CD2-CB 3.69Å; L258-R313 HydrophobicContact CD2-CB 4.13Å; L258-V314 HydrophobicContact CD2-CG2 4.29Å
259H93.6Very high96.8Very high22 Ų2223 Ų2310%0.10211%0.113CC..  trans-110.2145.5-173.3-66.8-66.3000111.7R140 L257 W261 I303 F306 R309 N310R140-H259 PolarHBondContact NH2-CE1 3.39Å; L257-H259 PolarHBondContact O-CD2 2.84Å; H259-W261 PolarHBondContact O-N 2.72Å; H259-I303 HydrophobicContact CB-CD1 4.22Å; H259-I303 WeakPolarHBondContact ND1-CD1 3.43Å; H259-F306 HydrophobicContact CB-CB 3.96Å; H259-F306 WeakPolarHBondContact O-CD2 3.3Å; H259-R309 PolarHBondContact CD2-NH1 2.94Å; H259-R309 VanDerWaalsContact CD2-NH1 3.34Å; H259-N310 PolarHBondContact N-ND2 2.78Å; H259-N310 PolarHBondContact N-OD1 2.94Å; H259-N310 PolarHBondContact O-ND2 2.65Å
260I92.4Very high96.8Very high5 Ų518.8 Ų18.83%0.02610%0.097CC..SBendtrans61.8-91.2170.6-48.8-60.7000112.8G137 L138 I139 P301 F306G137-I260 CarbonylContact C-O 3.6Å; L138-I260 WeakPolarHBondContact CA-O 3.36Å; L138-I260 VanDerWaalsContact CB-O 3.26Å; L138-I260 WeakPolarHBondContact CB-O 3.45Å; L138-I260 PolarHBondContact N-O 3.24Å; I139-I260 PolarHBondContact N-O 2.84Å; I260-P301 HydrophobicContact CD1-CB 3.79Å; I260-P301 HydrophobicContact CD1-CG 4.22Å; I260-P301 HydrophobicContact CG1-CB 3.75Å; I260-P301 HydrophobicContact CG1-CG 4.03Å; I260-P301 HydrophobicContact CG2-CG 3.98Å; I260-F306 HydrophobicContact CB-CD1 4.37Å; I260-F306 HydrophobicContact CB-CD2 3.73Å; I260-F306 HydrophobicContact CB-CE1 4.33Å; I260-F306 HydrophobicContact CB-CE2 3.68Å; I260-F306 HydrophobicContact CB-CG 4.1Å; I260-F306 HydrophobicContact CB-CZ 3.99Å; I260-F306 HydrophobicContact CG1-CD1 4.2Å; I260-F306 HydrophobicContact CG1-CD2 4.28Å; I260-F306 HydrophobicContact CG1-CE1 4.43Å; I260-F306 HydrophobicContact CG1-CG 4.13Å; I260-F306 HydrophobicContact CG2-CD2 4.44Å; I260-F306 HydrophobicContact CG2-CE1 4.31Å; I260-F306 HydrophobicContact CG2-CE2 3.9Å; I260-F306 HydrophobicContact CG2-CZ 3.82Å
261W92.5Very high96.8Very high134 Ų13416.3 Ų16.351%0.5089%0.085SC..SBendtrans-156.1163.8178.165.4-103.5000110.4L138 H259 F306 L307 N310L138-W261 HydrophobicContact CB-CB 4.37Å; L138-W261 HydrophobicContact CD2-CB 4.3Å; H259-W261 PolarHBondContact O-N 2.72Å; W261-F306 HydrophobicContact CD2-CE2 4.34Å; W261-F306 HydrophobicContact CG-CE2 4.28Å; W261-F306 AromaticContact NE1-CZ 3.77Å; W261-F306 VanDerWaalsContact O-CE2 3.27Å; W261-F306 WeakPolarHBondContact O-CE2 3.47Å; W261-L307 HydrophobicContact CE3-CD1 4.38Å; W261-L307 HydrophobicContact CH2-CD2 4.24Å; W261-L307 HydrophobicContact CZ3-CD1 4.08Å; W261-N310 PolarHBondContact O-ND2 2.71Å
262G93.5Very high96.8Very high2 Ų216.3 Ų16.32%0.0219%0.085CC..SBendtrans88.3130.5175.600000112.6E264 N310G262-E264 WeakPolarHBondContact CA-OE2 3.36Å; G262-E264 PolarHBondContact N-OE2 3.38Å; G262-N310 WeakPolarHBondContact O-CB 3.43Å; G262-N310 PolarHBondContact O-ND2 3.16Å
263G96.1Very high96.9Very high0 Ų015.7 Ų15.70%07%0.074CC..SBendtrans101.9-34.9-177.700000112.5Q265 Y266 E267 V314G263-Q265 VanDerWaalsContact C-N 3.28Å; G263-Q265 PolarHBondContact O-N 2.89Å; G263-Y266 PolarHBondContact O-N 2.85Å; G263-Y266 VanDerWaalsContact O-N 3.15Å; G263-E267 WeakPolarHBondContact O-CB 3.18Å; G263-E267 PolarHBondContact O-N 2.73Å; G263-V314 WeakPolarHBondContact O-CG2 3.5Å
264E97.4Very high96.9Very high11 Ų1115.8 Ų15.85%0.0517%0.074CC..Hα-helixtrans-63-33.1-176.378-72.2176.600113.1I139 Y254 L258 G262 Y266 L268I139-E264 HydrophobicContact CD1-CB 3.87Å; I139-E264 HydrophobicContact CD1-CG 4.26Å; I139-E264 WeakPolarHBondContact CD1-OE2 3.27Å; I139-E264 HydrophobicContact CG1-CB 3.87Å; I139-E264 HydrophobicContact CG1-CG 3.87Å; I139-E264 HydrophobicContact CG2-CB 4.18Å; Y254-E264 HydrophobicContact CD1-CB 3.73Å; Y254-E264 HydrophobicContact CD1-CG 4.45Å; Y254-E264 HydrophobicContact CE1-CB 3.7Å; Y254-E264 HydrophobicContact CE1-CG 3.96Å; Y254-E264 HydrophobicContact CG-CB 4.4Å; L258-E264 HydrophobicContact CD1-CB 4.18Å; G262-E264 WeakPolarHBondContact CA-OE2 3.36Å; G262-E264 PolarHBondContact N-OE2 3.38Å; E264-Y266 VanDerWaalsContact C-N 3.34Å; E264-L268 WeakPolarHBondContact O-CB 3.44Å; E264-L268 PolarHBondContact O-N 2.73Å
265Q97.3Very high97Very high21 Ų2116.2 Ų16.210%0.0988%0.077CC..Hα-helixtrans-69.4-36.5178.477.4-79.937.600111.3V235 M236 G263 S269V235-Q265 HydrophobicContact CG1-CG 4.49Å; M236-Q265 HydrophobicContact CG-CB 4.29Å; G263-Q265 VanDerWaalsContact C-N 3.28Å; G263-Q265 PolarHBondContact O-N 2.89Å; Q265-S269 VanDerWaalsContact O-CB 3.23Å; Q265-S269 WeakPolarHBondContact O-CB 3.5Å; Q265-S269 PolarHBondContact O-N 3.42Å; Q265-S269 VanDerWaalsContact O-N 3.15Å; Q265-S269 PolarHBondContact O-OG 3.32Å
266Y98.6Very high96.9Very high2 Ų218.2 Ų18.21%0.00810%0.099CC..Hα-helixtrans-72.9-47.6174.2-54.4-54.3000110.3F208 F212 Y214 V235 G263 E264 L268 S269 F270 F311F208-Y266 HydrophobicContact CB-CD1 4.29Å; F208-Y266 HydrophobicContact CB-CE1 3.68Å; F208-Y266 HydrophobicContact CG-CE1 4.4Å; F212-Y266 HydrophobicContact CB-CD2 4.4Å; F212-Y266 HydrophobicContact CB-CE2 3.89Å; F212-Y266 HydrophobicContact CD1-CD2 4.12Å; F212-Y266 HydrophobicContact CD1-CE2 4.26Å; F212-Y266 HydrophobicContact CD1-CG 4.39Å; F212-Y266 HydrophobicContact CE1-CD2 4.42Å; F212-Y266 HydrophobicContact CE1-CG 4.4Å; F212-Y266 HydrophobicContact CG-CD2 4.16Å; F212-Y266 HydrophobicContact CG-CE2 4.14Å; F212-Y266 WeakPolarHBondContact O-CE2 3.45Å; F212-Y266 PolarHBondContact O-OH 2.76Å; Y214-Y266 WeakPolarHBondContact CA-OH 3.42Å; Y214-Y266 PolarHBondContact N-OH 3.4Å; V235-Y266 HydrophobicContact CG1-CD1 3.65Å; V235-Y266 HydrophobicContact CG1-CE1 3.81Å; V235-Y266 HydrophobicContact CG2-CD1 4.34Å; G263-Y266 PolarHBondContact O-N 2.85Å; G263-Y266 VanDerWaalsContact O-N 3.15Å; E264-Y266 VanDerWaalsContact C-N 3.34Å; Y266-L268 PolarHBondContact O-N 3.46Å; Y266-S269 PolarHBondContact O-N 3.04Å; Y266-F270 WeakPolarHBondContact O-CB 3.43Å; Y266-F270 VanDerWaalsContact O-CD2 3.23Å; Y266-F270 WeakPolarHBondContact O-CD2 3.46Å; Y266-F270 WeakPolarHBondContact O-CG 3.27Å; Y266-F270 PolarHBondContact O-N 2.67Å; Y266-F311 HydrophobicContact CE2-CE1 4.23Å
267E98.5Very high97.1Very high1 Ų116.4 Ų16.41%0.0059%0.089CC..Hα-helixtrans-52.6-52.9178.5-165.9-149.4177.900111.6Y254 D255 L258 G263 K271 V314Y254-E267 WeakPolarHBondContact CA-OE2 3.49Å; D255-E267 WeakPolarHBondContact CB-OE1 3.42Å; D255-E267 VanDerWaalsContact N-CD 3.33Å; D255-E267 PolarHBondContact N-OE1 2.87Å; D255-E267 PolarHBondContact N-OE2 2.82Å; L258-E267 HydrophobicContact CD1-CB 4.32Å; L258-E267 HydrophobicContact CD1-CG 4.46Å; L258-E267 VanDerWaalsContact CD1-OE2 3.27Å; L258-E267 WeakPolarHBondContact CD1-OE2 3.33Å; G263-E267 WeakPolarHBondContact O-CB 3.18Å; G263-E267 PolarHBondContact O-N 2.73Å; E267-K271 HydrophobicContact CG-CD 4.35Å; E267-K271 WeakPolarHBondContact O-CB 3.32Å; E267-K271 WeakPolarHBondContact O-CG 3.34Å; E267-K271 PolarHBondContact O-N 2.94Å; E267-K271 VanDerWaalsContact OE1-CE 3.27Å; E267-K271 WeakPolarHBondContact OE1-CE 3.38Å; E267-K271 IonicContact OE1-NZ 3.66Å; E267-K271 PolarHBondContact OE1-NZ 2.93Å; E267-V314 HydrophobicContact CB-CG2 3.91Å; E267-V314 HydrophobicContact CG-CG2 4.37Å
268L98.5Very high97.2Very high0 Ų017.7 Ų17.70%09%0.09CC..Hα-helixtrans-70-39.7-177.4-175.558.7000111.5M236 F241 L251 Y254 E264 Y266 F270 K271 I272M236-L268 HydrophobicContact CE-CD2 4.04Å; M236-L268 HydrophobicContact CE-CG 4.1Å; M236-L268 HydrophobicContact SD-CD2 4.14Å; F241-L268 HydrophobicContact CD2-CD2 4.48Å; F241-L268 HydrophobicContact CE1-CD2 4.45Å; F241-L268 HydrophobicContact CE2-CD2 3.6Å; F241-L268 HydrophobicContact CZ-CD2 3.58Å; L251-L268 HydrophobicContact CD1-CD1 4.11Å; Y254-L268 HydrophobicContact CD1-CB 4.25Å; Y254-L268 HydrophobicContact CE1-CB 3.79Å; Y254-L268 HydrophobicContact CE1-CD2 3.69Å; Y254-L268 HydrophobicContact CE1-CG 4.3Å; E264-L268 WeakPolarHBondContact O-CB 3.44Å; E264-L268 PolarHBondContact O-N 2.73Å; Y266-L268 PolarHBondContact O-N 3.46Å; L268-F270 PolarHBondContact O-N 2.86Å; L268-K271 WeakPolarHBondContact O-CB 3.49Å; L268-K271 PolarHBondContact O-N 3.15Å; L268-I272 HydrophobicContact CD1-CD1 4.22Å; L268-I272 HydrophobicContact CD1-CG1 4.27Å; L268-I272 HydrophobicContact CG-CD1 3.83Å; L268-I272 HydrophobicContact CG-CG1 4.39Å; L268-I272 VanDerWaalsContact O-CD1 3.31Å; L268-I272 WeakPolarHBondContact O-CD1 3.15Å; L268-I272 WeakPolarHBondContact O-CG1 3.27Å; L268-I272 PolarHBondContact O-N 2.96Å
269S98.8Very high97.3Very high0 Ų017.7 Ų17.70%09%0.09CC..Hα-helixtrans-62.4-43177-58.50000112V235 M236 Q265 Y266 I272 W273V235-S269 WeakPolarHBondContact CA-OG 3.14Å; M236-S269 PolarHBondContact N-OG 2.91Å; Q265-S269 VanDerWaalsContact O-CB 3.23Å; Q265-S269 WeakPolarHBondContact O-CB 3.5Å; Q265-S269 PolarHBondContact O-N 3.42Å; Q265-S269 VanDerWaalsContact O-N 3.15Å; Q265-S269 PolarHBondContact O-OG 3.32Å; Y266-S269 PolarHBondContact O-N 3.04Å; S269-I272 PolarHBondContact O-N 2.93Å; S269-W273 PolarHBondContact O-N 3.01Å; S269-W273 VanDerWaalsContact O-N 3.13Å
270F98.8Very high97.5Very high0 Ų016.9 Ų16.90%09%0.086CC..Hα-helixtrans-64.5-45.6175.9-60.7-19.6000111.1F208 F212 V235 Y266 L268 I272 W273 M274 V314 W318 M319 F356 F359F208-F270 HydrophobicContact CD1-CE1 4.44Å; F208-F270 HydrophobicContact CD1-CZ 4.35Å; F208-F270 AromaticContact CE1-CE1 3.81Å; F208-F270 HydrophobicContact CE1-CE1 3.81Å; F208-F270 AromaticContact CE1-CZ 3.86Å; F208-F270 HydrophobicContact CE1-CZ 3.86Å; F208-F270 HydrophobicContact CZ-CE1 4.35Å; F208-F270 HydrophobicContact CZ-CZ 4.1Å; F212-F270 HydrophobicContact CE1-CE2 4.33Å; F212-F270 HydrophobicContact CE1-CZ 4.36Å; F212-F270 HydrophobicContact CZ-CE2 4.39Å; V235-F270 HydrophobicContact CG2-CE1 4.16Å; Y266-F270 WeakPolarHBondContact O-CB 3.43Å; Y266-F270 VanDerWaalsContact O-CD2 3.23Å; Y266-F270 WeakPolarHBondContact O-CD2 3.46Å; Y266-F270 WeakPolarHBondContact O-CG 3.27Å; Y266-F270 PolarHBondContact O-N 2.67Å; L268-F270 PolarHBondContact O-N 2.86Å; F270-I272 PolarHBondContact O-N 3.37Å; F270-W273 PolarHBondContact O-N 3.31Å; F270-M274 HydrophobicContact CB-SD 3.85Å; F270-M274 WeakPolarHBondContact O-CB 3.41Å; F270-M274 VanDerWaalsContact O-CG 3.23Å; F270-M274 WeakPolarHBondContact O-CG 3.31Å; F270-M274 PolarHBondContact O-N 3.34Å; F270-V314 HydrophobicContact CD2-CG1 4.01Å; F270-V314 HydrophobicContact CE2-CG1 3.92Å; F270-W318 HydrophobicContact CB-CB 4.16Å; F270-W318 HydrophobicContact CB-CG 4.42Å; F270-W318 HydrophobicContact CD2-CB 3.79Å; F270-W318 HydrophobicContact CG-CB 4.43Å; F270-M319 HydrophobicContact CE2-CG 4.1Å; F270-F356 AromaticContact CD1-CE2 3.82Å; F270-F356 HydrophobicContact CD1-CE2 3.82Å; F270-F356 AromaticContact CD2-CE2 3.95Å; F270-F356 HydrophobicContact CD2-CE2 3.95Å; F270-F356 AromaticContact CE1-CE2 3.64Å; F270-F356 HydrophobicContact CE1-CE2 3.64Å; F270-F356 HydrophobicContact CE1-CZ 4.07Å; F270-F356 AromaticContact CE2-CE2 3.75Å; F270-F356 HydrophobicContact CE2-CE2 3.75Å; F270-F356 HydrophobicContact CE2-CZ 4.27Å; F270-F356 AromaticContact CG-CE2 3.99Å; F270-F356 HydrophobicContact CG-CE2 3.99Å; F270-F356 AromaticContact CZ-CE2 3.6Å; F270-F356 HydrophobicContact CZ-CE2 3.6Å; F270-F356 AromaticContact CZ-CZ 3.85Å; F270-F356 HydrophobicContact CZ-CZ 3.85Å; F270-F359 HydrophobicContact CD1-CD1 4.44Å; F270-F359 HydrophobicContact CD1-CE1 4.03Å; F270-F359 HydrophobicContact CD1-CE2 4.23Å; F270-F359 AromaticContact CD1-CZ 3.91Å; F270-F359 HydrophobicContact CD1-CZ 3.91Å; F270-F359 HydrophobicContact CE1-CD1 4.43Å; F270-F359 AromaticContact CE1-CE1 3.74Å; F270-F359 HydrophobicContact CE1-CE1 3.74Å; F270-F359 AromaticContact CE1-CZ 3.84Å; F270-F359 HydrophobicContact CE1-CZ 3.84Å
271K98.7Very high97.8Very high0 Ų017.5 Ų17.50%09%0.089CC..Hα-helixtrans-53.3-50.5172.8-83.6172.9167.4176.90112L251 G253 E267 L268 C275 W318L251-K271 HydrophobicContact CD1-CB 4.23Å; L251-K271 HydrophobicContact CD2-CB 4.12Å; L251-K271 WeakPolarHBondContact O-CE 3.33Å; L251-K271 PolarHBondContact O-NZ 3.46Å; G253-K271 PolarHBondContact O-NZ 2.88Å; E267-K271 HydrophobicContact CG-CD 4.35Å; E267-K271 WeakPolarHBondContact O-CB 3.32Å; E267-K271 WeakPolarHBondContact O-CG 3.34Å; E267-K271 PolarHBondContact O-N 2.94Å; E267-K271 VanDerWaalsContact OE1-CE 3.27Å; E267-K271 WeakPolarHBondContact OE1-CE 3.38Å; E267-K271 IonicContact OE1-NZ 3.66Å; E267-K271 PolarHBondContact OE1-NZ 2.93Å; L268-K271 WeakPolarHBondContact O-CB 3.49Å; L268-K271 PolarHBondContact O-N 3.15Å; K271-C275 WeakPolarHBondContact O-CB 3.41Å; K271-C275 PolarHBondContact O-N 3.24Å; K271-C275 PolarHBondContact O-SG 2.61Å; K271-W318 HydrophobicContact CD-CH2 4.3Å; K271-W318 HydrophobicContact CD-CZ2 3.94Å; K271-W318 HydrophobicContact CG-CD2 4.38Å; K271-W318 HydrophobicContact CG-CE3 4.35Å; K271-W318 HydrophobicContact CG-CH2 3.41Å; K271-W318 VanDerWaalsContact CG-CH2 3.41Å; K271-W318 HydrophobicContact CG-CZ2 3.43Å; K271-W318 VanDerWaalsContact CG-CZ2 3.43Å; K271-W318 HydrophobicContact CG-CZ3 3.88Å
272I98.8Very high98.1Very high0 Ų011.3 Ų11.30%07%0.066CC..Hα-helixtrans-57.7-56.7-177.9-69.9157.9000110.3V182 M236 L251 L268 S269 F270 G277 R278 L279V182-I272 HydrophobicContact CB-CD1 3.81Å; V182-I272 HydrophobicContact CG1-CD1 3.92Å; V182-I272 HydrophobicContact CG2-CD1 3.48Å; V182-I272 VanDerWaalsContact CG2-CD1 3.48Å; V182-I272 HydrophobicContact CG2-CG1 3.73Å; V182-I272 HydrophobicContact CG2-CG2 4.15Å; M236-I272 HydrophobicContact CE-CD1 3.47Å; M236-I272 VanDerWaalsContact CE-CD1 3.47Å; L251-I272 HydrophobicContact CD1-CG1 3.88Å; L268-I272 HydrophobicContact CD1-CD1 4.22Å; L268-I272 HydrophobicContact CD1-CG1 4.27Å; L268-I272 HydrophobicContact CG-CD1 3.83Å; L268-I272 HydrophobicContact CG-CG1 4.39Å; L268-I272 VanDerWaalsContact O-CD1 3.31Å; L268-I272 WeakPolarHBondContact O-CD1 3.15Å; L268-I272 WeakPolarHBondContact O-CG1 3.27Å; L268-I272 PolarHBondContact O-N 2.96Å; S269-I272 PolarHBondContact O-N 2.93Å; F270-I272 PolarHBondContact O-N 3.37Å; I272-G277 CarbonylContact O-C 3.47Å; I272-G277 WeakPolarHBondContact O-CA 3.16Å; I272-G277 PolarHBondContact O-N 3.15Å; I272-R278 VanDerWaalsContact CG2-C 3.45Å; I272-R278 WeakPolarHBondContact CG2-O 3.39Å; I272-L279 HydrophobicContact CG2-CB 4.16Å
273W98.8Very high98.2Very high16 Ų1611.2 Ų11.26%0.0617%0.065CC..Hα-helixtrans-68.6-49-175.5-79.2113.9000112.9E232 S233 P234 S269 F270 C275 G276 R278 L279 W358 F359 V363E232-W273 HydrophobicContact CB-CH2 4.02Å; E232-W273 HydrophobicContact CB-CZ2 4.09Å; E232-W273 HydrophobicContact CG-CH2 4Å; S233-W273 PolarHBondContact O-NE1 2.99Å; P234-W273 PolarHBondContact O-NE1 2.96Å; S269-W273 PolarHBondContact O-N 3.01Å; S269-W273 VanDerWaalsContact O-N 3.13Å; F270-W273 PolarHBondContact O-N 3.31Å; W273-C275 VanDerWaalsContact C-N 3.28Å; W273-C275 PolarHBondContact O-N 2.88Å; W273-G276 PolarHBondContact O-N 3.04Å; W273-R278 HydrophobicContact CH2-CB 4.01Å; W273-R278 HydrophobicContact CZ3-CB 3.99Å; W273-L279 HydrophobicContact CZ2-CB 4.24Å; W273-L279 WeakPolarHBondContact CZ2-O 3.4Å; W273-W358 HydrophobicContact CB-CZ3 4.44Å; W273-W358 WeakPolarHBondContact O-CZ3 3.44Å; W273-F359 HydrophobicContact CB-CD2 3.76Å; W273-F359 HydrophobicContact CB-CE2 4.07Å; W273-F359 AromaticContact CD1-CE2 3.7Å; W273-F359 HydrophobicContact CG-CD2 4.14Å; W273-F359 HydrophobicContact CG-CE2 4.02Å; W273-V363 HydrophobicContact CB-CG2 4.26Å; W273-V363 HydrophobicContact CD2-CB 4.36Å; W273-V363 HydrophobicContact CD2-CG1 3.66Å; W273-V363 HydrophobicContact CD2-CG2 3.72Å; W273-V363 VanDerWaalsContact CE2-CG1 3.49Å; W273-V363 HydrophobicContact CE3-CG1 4.25Å; W273-V363 HydrophobicContact CE3-CG2 3.63Å; W273-V363 HydrophobicContact CG-CG1 3.9Å; W273-V363 HydrophobicContact CG-CG2 4.03Å; W273-V363 HydrophobicContact CH2-CG1 4.5Å; W273-V363 HydrophobicContact CZ2-CG1 3.96Å; W273-V363 HydrophobicContact CZ3-CG2 4.2Å
274M98.7Very high98.3Very high1 Ų111.7 Ų11.71%0.0057%0.069CC..Hα-helixtrans-72-24.3-172.5-62.4165.961.600112.1F270 W318 R348 C353 K354 F356 F359F270-M274 HydrophobicContact CB-SD 3.85Å; F270-M274 WeakPolarHBondContact O-CB 3.41Å; F270-M274 VanDerWaalsContact O-CG 3.23Å; F270-M274 WeakPolarHBondContact O-CG 3.31Å; F270-M274 PolarHBondContact O-N 3.34Å; M274-W318 HydrophobicContact CE-CE3 4.4Å; M274-W318 WeakPolarHBondContact CE-O 3.11Å; M274-W318 HydrophobicContact SD-CE3 4.47Å; M274-R348 VanDerWaalsContact CE-NH2 3.31Å; M274-C353 HydrophobicContact CB-CB 4.17Å; M274-C353 CarbonylContact O-C 3.45Å; M274-C353 VanDerWaalsContact O-CA 3.24Å; M274-C353 WeakPolarHBondContact O-CA 3.05Å; M274-C353 WeakPolarHBondContact O-CB 3.43Å; M274-K354 WeakPolarHBondContact CE-O 3.28Å; M274-K354 PolarHBondContact O-N 3.48Å; M274-F356 HydrophobicContact CE-CB 4.39Å; M274-F356 HydrophobicContact SD-CD2 4.01Å; M274-F359 HydrophobicContact CG-CB 4.02Å; M274-F359 HydrophobicContact SD-CB 4.42Å
275C98.6Very high98.4Very high11 Ų1111.1 Ų11.17%0.0747%0.066CC..THydrogen-bonded Turntrans-103.719.1-177.1-45.80000113.4W247 L251 K271 W273 L351 C353W247-C275 HydrophobicContact CH2-CB 4.49Å; W247-C275 WeakPolarHBondContact CH2-O 3.23Å; L251-C275 HydrophobicContact CD2-CB 3.93Å; K271-C275 WeakPolarHBondContact O-CB 3.41Å; K271-C275 PolarHBondContact O-N 3.24Å; K271-C275 PolarHBondContact O-SG 2.61Å; W273-C275 VanDerWaalsContact C-N 3.28Å; W273-C275 PolarHBondContact O-N 2.88Å; C275-L351 HydrophobicContact CB-CB 4.4Å; C275-L351 HydrophobicContact CB-CD1 4.48Å; C275-C353 HydrophobicContact CB-CB 4.09Å; C275-C353 WeakPolarHBondContact CB-SG 3.4Å; C275-C353 WeakPolarHBondContact SG-CB 3.38Å; C275-C353 CovalentContact SG-SG 2.04Å; C275-C353 PolarHBondContact SG-SG 3.47Å
276G97.9Very high98.4Very high46 Ų4610.4 Ų10.447%0.4746%0.062SC..THydrogen-bonded Turntrans90.120168.700000115.7W273W273-G276 PolarHBondContact O-N 3.04Å
277G98.6Very high98.4Very high12 Ų1210.3 Ų10.312%0.1246%0.062CC..  trans-98.6-171.2165.200000111.9R180 I272R180-G277 VanDerWaalsContact O-CA 3.26Å; R180-G277 WeakPolarHBondContact O-CA 3.31Å; I272-G277 CarbonylContact O-C 3.47Å; I272-G277 WeakPolarHBondContact O-CA 3.16Å; I272-G277 PolarHBondContact O-N 3.15Å
278R98.4Very high98.4Very high87 Ų8710.2 Ų10.233%0.3286%0.062SC..EExtended strand (participates in β ladder)trans-144.5148.5174.967.7-179.7-165.1160.28.8110.5R180 T181 V182 I272 W273R180-R278 PolarHBondContact O-N 3.13Å; T181-R278 HydrophobicContact CG2-CG 3.96Å; T181-R278 PolarHBondContact OG1-NE 3.14Å; V182-R278 PolarHBondContact N-O 3.28Å; I272-R278 VanDerWaalsContact CG2-C 3.45Å; I272-R278 WeakPolarHBondContact CG2-O 3.39Å; W273-R278 HydrophobicContact CH2-CB 4.01Å; W273-R278 HydrophobicContact CZ3-CB 3.99Å
279L98.8Very high98.4Very high0 Ų011.1 Ų11.10%07%0.066CC..EExtended strand (participates in β ladder)trans-118.9123.8178.7175.561.6000109.3V182 S233 M236 I272 W273V182-L279 HydrophobicContact CB-CD1 3.91Å; V182-L279 HydrophobicContact CG1-CD1 3.78Å; V182-L279 WeakPolarHBondContact O-CA 3.43Å; S233-L279 PolarHBondContact N-O 2.88Å; S233-L279 WeakPolarHBondContact O-CD2 3.31Å; S233-L279 WeakPolarHBondContact O-CG 3.4Å; M236-L279 HydrophobicContact CB-CD1 4.39Å; M236-L279 HydrophobicContact CB-CD2 3.93Å; M236-L279 HydrophobicContact CE-CD1 3.77Å; M236-L279 HydrophobicContact CE-CD2 4.01Å; I272-L279 HydrophobicContact CG2-CB 4.16Å; W273-L279 HydrophobicContact CZ2-CB 4.24Å; W273-L279 WeakPolarHBondContact CZ2-O 3.4Å
280I98.5Very high98.3Very high6 Ų611.3 Ų11.33%0.0317%0.067CC..EExtended strand (participates in β ladder)trans-129.8143.5-178.567.5-177.7000111.6P174 T181 V182 T183 C184 P230 F231 E232 V282P174-I280 HydrophobicContact CB-CD1 3.71Å; P174-I280 HydrophobicContact CG-CD1 3.95Å; T181-I280 HydrophobicContact CG2-CD1 3.74Å; T181-I280 HydrophobicContact CG2-CG1 4.04Å; V182-I280 PolarHBondContact O-N 3.09Å; T183-I280 CarbonylContact C-O 3.52Å; T183-I280 WeakPolarHBondContact CA-O 3.35Å; T183-I280 HydrophobicContact CG2-CD1 3.94Å; T183-I280 HydrophobicContact CG2-CG1 3.79Å; C184-I280 PolarHBondContact N-O 2.81Å; P230-I280 HydrophobicContact CB-CB 4.48Å; P230-I280 HydrophobicContact CB-CD1 3.79Å; P230-I280 HydrophobicContact CB-CG1 4.38Å; F231-I280 CarbonylContact O-C 3.52Å; F231-I280 WeakPolarHBondContact O-CA 3.14Å; F231-I280 WeakPolarHBondContact O-CB 3.13Å; E232-I280 HydrophobicContact CG-CG2 4.26Å; I280-V282 HydrophobicContact CD1-CG2 4.36Å; I280-V282 HydrophobicContact CG1-CG2 4.17Å
281D98.1Very high98Very high17 Ų1715.2 Ų15.29%0.0918%0.084CC..EExtended strand (participates in β ladder)trans-88.1138.7165.1-71.3-49.5000108.6C184 F186 P230 F231 S233 P283C184-D281 WeakPolarHBondContact CB-OD1 3.23Å; C184-D281 CarbonylContact O-C 3.51Å; C184-D281 WeakPolarHBondContact O-CA 3.43Å; F186-D281 HydrophobicContact CE1-CB 4.28Å; P230-D281 WeakPolarHBondContact CA-O 3.48Å; F231-D281 HydrophobicContact CD1-CB 4.48Å; F231-D281 HydrophobicContact CD2-CB 4.3Å; F231-D281 HydrophobicContact CE1-CB 3.92Å; F231-D281 HydrophobicContact CE2-CB 3.68Å; F231-D281 WeakPolarHBondContact CE2-OD2 3.16Å; F231-D281 HydrophobicContact CZ-CB 3.48Å; F231-D281 VanDerWaalsContact CZ-CB 3.48Å; F231-D281 PolarHBondContact N-O 3.37Å; F231-D281 VanDerWaalsContact N-O 3.11Å; F231-D281 PolarHBondContact O-N 3.38Å; S233-D281 WeakPolarHBondContact CB-OD2 3.48Å; S233-D281 PolarHBondContact OG-OD2 3.44Å; D281-P283 WeakPolarHBondContact O-CD 3.12Å
282V98Very high97.7Very high4 Ų418.7 Ų18.72%0.02410%0.097CC..EExtended strand (participates in β ladder)trans-11796.7-174.4-1780000109.7P170 L171 T183 C184 P230 I280 C284 S285P170-V282 HydrophobicContact CB-CG1 3.59Å; P170-V282 WeakPolarHBondContact O-CG1 3.31Å; L171-V282 HydrophobicContact CD2-CB 4.17Å; L171-V282 HydrophobicContact CD2-CG2 4.28Å; T183-V282 HydrophobicContact CG2-CG2 3.89Å; C184-V282 PolarHBondContact O-N 2.93Å; P230-V282 HydrophobicContact CB-CG2 4.34Å; P230-V282 HydrophobicContact CG-CG1 4.37Å; P230-V282 HydrophobicContact CG-CG2 4.4Å; I280-V282 HydrophobicContact CD1-CG2 4.36Å; I280-V282 HydrophobicContact CG1-CG2 4.17Å; V282-C284 VanDerWaalsContact C-N 3.27Å; V282-C284 PolarHBondContact O-N 2.64Å; V282-S285 PolarHBondContact O-N 3.35Å
283P97.4Very high97.3Very high0 Ų024.7 Ų24.70%013%0.125CC..EExtended strand (participates in β ladder)trans-62.5-27.8-171.6-23.131.5000115.6Y50 F186 P227 T229 F231 D281 S285Y50-P283 HydrophobicContact CD2-CB 4.11Å; Y50-P283 HydrophobicContact CE2-CB 3.86Å; F186-P283 HydrophobicContact CD1-CB 4.38Å; F186-P283 HydrophobicContact CE1-CB 3.83Å; F186-P283 HydrophobicContact CE1-CG 3.7Å; F186-P283 HydrophobicContact CE2-CB 4.06Å; F186-P283 HydrophobicContact CZ-CB 3.62Å; F186-P283 HydrophobicContact CZ-CG 3.68Å; P227-P283 WeakPolarHBondContact O-CB 3.38Å; P227-P283 VanDerWaalsContact O-CG 3.28Å; P227-P283 WeakPolarHBondContact O-CG 3.47Å; T229-P283 WeakPolarHBondContact O-CD 3.47Å; T229-P283 WeakPolarHBondContact O-CG 3.16Å; F231-P283 HydrophobicContact CD1-CG 4.18Å; F231-P283 HydrophobicContact CE1-CG 4.05Å; D281-P283 WeakPolarHBondContact O-CD 3.12Å; P283-S285 VanDerWaalsContact C-N 3.26Å; P283-S285 PolarHBondContact O-N 3.37Å
284C97.8Very high96.8Very high10 Ų1027.1 Ų27.17%0.06814%0.135CC..EExtended strand (participates in β ladder)trans-76.2-10175.4-65.20000113.9R49 C53 P170 E228 V282R49-C284 WeakPolarHBondContact CD-O 3.32Å; C53-C284 VanDerWaalsContact CA-SG 3.55Å; C53-C284 HydrophobicContact CB-CB 3.72Å; C53-C284 WeakPolarHBondContact CB-SG 3.47Å; C53-C284 WeakPolarHBondContact SG-CA 3.21Å; C53-C284 WeakPolarHBondContact SG-CB 3.47Å; C53-C284 CovalentContact SG-SG 2.04Å; C53-C284 PolarHBondContact SG-SG 3.04Å; P170-C284 HydrophobicContact CB-CB 4.13Å; P170-C284 HydrophobicContact CG-CB 4.19Å; E228-C284 PolarHBondContact O-SG 3.02Å; V282-C284 VanDerWaalsContact C-N 3.27Å; V282-C284 PolarHBondContact O-N 2.64Å
285S98.2Very high96.3Very high0 Ų032.2 Ų32.20%017%0.168CC..EExtended strand (participates in β ladder)trans-100.9125.6167.6-172.30000109.4W167 L171 P185 F186 V282 P283W167-S285 VanDerWaalsContact O-CB 3.23Å; W167-S285 WeakPolarHBondContact O-CB 3.39Å; W167-S285 PolarHBondContact O-OG 3.2Å; L171-S285 WeakPolarHBondContact CD1-OG 3.38Å; L171-S285 VanDerWaalsContact CG-OG 3.31Å; L171-S285 WeakPolarHBondContact CG-OG 3.43Å; P185-S285 WeakPolarHBondContact CA-O 3.24Å; F186-S285 PolarHBondContact N-O 2.04Å; V282-S285 PolarHBondContact O-N 3.35Å; P283-S285 VanDerWaalsContact C-N 3.26Å; P283-S285 PolarHBondContact O-N 3.37Å
286R98.2Very high95.9Very high5 Ų534.5 Ų34.52%0.01918%0.181CC..EExtended strand (participates in β ladder)trans-132.7138-179.3-54.3-168.977.899.5-4.3110.8R49 N164 F186 D188R49-R286 HydrophobicContact CG-CG 4.01Å; N164-R286 HydrophobicContact CB-CB 3.88Å; N164-R286 VanDerWaalsContact CB-O 3.3Å; N164-R286 WeakPolarHBondContact CB-O 3.47Å; N164-R286 PolarHBondContact N-O 2.87Å; F186-R286 HydrophobicContact CB-CG 4.27Å; F186-R286 VanDerWaalsContact CD2-NH1 3.28Å; F186-R286 WeakPolarHBondContact O-CA 3.2Å; D188-R286 IonicContact OD1-CZ 2.65Å; D188-R286 IonicContact OD1-NE 2.68Å; D188-R286 PolarHBondContact OD1-NE 2.83Å; D188-R286 IonicContact OD1-NH2 3.63Å; D188-R286 PolarHBondContact OD1-NH2 3.36Å; D188-R286 WeakPolarHBondContact OD2-CB 3.48Å; D188-R286 IonicContact OD2-CZ 3.05Å; D188-R286 IonicContact OD2-NE 3.04Å; D188-R286 PolarHBondContact OD2-NE 2.84Å; D188-R286 IonicContact OD2-NH2 2.89Å
287V98.6Very high95.4Very high0 Ų036.2 Ų36.20%018%0.18CC..EExtended strand (participates in β ladder)trans-138.4120.4178.2-177.20000108.5L157 C161 T163 W167 P185 F186 I187 D188 L240L157-V287 HydrophobicContact CD2-CG1 4.42Å; C161-V287 HydrophobicContact CB-CG1 3.85Å; T163-V287 HydrophobicContact CG2-CG1 4.25Å; T163-V287 HydrophobicContact CG2-CG2 4.16Å; W167-V287 HydrophobicContact CD2-CG2 4.43Å; W167-V287 HydrophobicContact CE3-CG2 3.83Å; W167-V287 HydrophobicContact CZ3-CG2 4.4Å; P185-V287 HydrophobicContact CB-CB 4.48Å; P185-V287 HydrophobicContact CB-CG2 3.88Å; P185-V287 HydrophobicContact CG-CB 4.27Å; P185-V287 HydrophobicContact CG-CG2 3.84Å; F186-V287 PolarHBondContact O-N 3.18Å; I187-V287 WeakPolarHBondContact CA-O 3.21Å; D188-V287 PolarHBondContact N-O 3.43Å; L240-V287 HydrophobicContact CD1-CB 3.88Å; L240-V287 HydrophobicContact CD1-CG1 3.75Å
288G98.4Very high95Very high0 Ų037.3 Ų37.30%018%0.181CC..EExtended strand (participates in β ladder)trans-69.8140171.400000110.9C161 E162 D188 Y197C161-G288 CarbonylContact C-O 3.23Å; C161-G288 WeakPolarHBondContact CA-O 3.47Å; C161-G288 WeakPolarHBondContact CB-O 3.49Å; E162-G288 PolarHBondContact N-O 3.25Å; E162-G288 PolarHBondContact O-N 2.78Å; D188-G288 CarbonylContact O-C 3.56Å; D188-G288 WeakPolarHBondContact O-CA 3.32Å; Y197-G288 VanDerWaalsContact CE2-CA 3.45Å; Y197-G288 PolarHBondContact OH-N 3.38Å
289H98.4Very high94.6Very high19 Ų1936 Ų369%0.08818%0.184CC..EExtended strand (participates in β ladder)trans-133.2137.3178.7-175.5-77.8000109.6D158 H160 C161 I187 D188 I190 F291D158-H289 IonicContact OD2-CD2 3.7Å; D158-H289 IonicContact OD2-NE2 2.69Å; D158-H289 PolarHBondContact OD2-NE2 3.01Å; H160-H289 AromaticContact CD2-CE1 3.57Å; H160-H289 AromaticContact CD2-NE2 3.63Å; H160-H289 AromaticContact NE2-CE1 3.3Å; H160-H289 PolarHBondContact NE2-CE1 2.85Å; H160-H289 VanDerWaalsContact NE2-CE1 3.3Å; H160-H289 AromaticContact NE2-NE2 3.28Å; H160-H289 PolarHBondContact NE2-NE2 3.13Å; C161-H289 VanDerWaalsContact SG-CD2 3.53Å; I187-H289 HydrophobicContact CG2-CB 3.59Å; D188-H289 PolarHBondContact O-N 3.05Å; I190-H289 PolarHBondContact N-O 3.48Å; H289-F291 PolarHBondContact O-N 2.77Å
290I97.2Very high94Very high3 Ų344 Ų442%0.01522%0.221CC..  trans-82.5105.2171.8-54.3175.2000109.3F31 T78 H160 I190 F195 R292F31-I290 HydrophobicContact CB-CG2 3.77Å; F31-I290 HydrophobicContact CD1-CB 4.34Å; F31-I290 HydrophobicContact CD1-CD1 4.3Å; F31-I290 HydrophobicContact CD1-CG2 3.53Å; F31-I290 HydrophobicContact CE1-CD1 4.27Å; F31-I290 HydrophobicContact CE1-CG2 4.31Å; F31-I290 HydrophobicContact CG-CD1 4.43Å; F31-I290 HydrophobicContact CG-CG2 3.83Å; F31-I290 HydrophobicContact CZ-CD1 4.38Å; T78-I290 HydrophobicContact CG2-CD1 3.76Å; H160-I290 HydrophobicContact CB-CB 4.27Å; H160-I290 HydrophobicContact CB-CD1 4.04Å; H160-I290 HydrophobicContact CB-CG1 4.3Å; H160-I290 PolarHBondContact CD2-O 3.04Å; H160-I290 VanDerWaalsContact CD2-O 3.27Å; H160-I290 PolarHBondContact O-N 2.71Å; H160-I290 VanDerWaalsContact O-N 3.14Å; I190-I290 HydrophobicContact CB-CG1 3.73Å; I190-I290 HydrophobicContact CD1-CG1 4.2Å; I190-I290 HydrophobicContact CG2-CD1 4.34Å; I190-I290 HydrophobicContact CG2-CG1 3.72Å; F195-I290 HydrophobicContact CD1-CD1 4.43Å; F195-I290 HydrophobicContact CE1-CD1 3.57Å; F195-I290 HydrophobicContact CZ-CD1 3.71Å; I290-R292 PolarHBondContact O-N 2.79Å
291F92.1Very high93.5Very high83 Ų8344.8 Ų44.836%0.36423%0.227SC..  trans-73.5114166.5-63.5-79.2000108.9I187 V189 H289 E293I187-F291 HydrophobicContact CG2-CE2 4.47Å; I187-F291 HydrophobicContact CG2-CZ 3.98Å; V189-F291 HydrophobicContact CG1-CD2 4.43Å; V189-F291 HydrophobicContact CG2-CD2 4.19Å; V189-F291 HydrophobicContact CG2-CE2 3.96Å; H289-F291 PolarHBondContact O-N 2.77Å; F291-E293 PolarHBondContact O-N 3.11Å
292R92Very high92.9Very high72 Ų7252.4 Ų52.427%0.27226%0.259SS..  trans-68117.4-179.9-63.4178-169-111.6-4.1109.9N29 G30 F31 E74 H160 I290N29-R292 VanDerWaalsContact C-NH1 3.34Å; N29-R292 WeakPolarHBondContact O-CD 3.32Å; N29-R292 PolarHBondContact O-NH1 3.29Å; G30-R292 WeakPolarHBondContact O-CA 3.15Å; F31-R292 HydrophobicContact CD1-CG 4.15Å; E74-R292 IonicContact OE1-CZ 3.24Å; E74-R292 IonicContact OE1-NH1 3.17Å; E74-R292 IonicContact OE1-NH2 3.71Å; E74-R292 PolarHBondContact OE1-NH2 3.24Å; E74-R292 IonicContact OE2-NH2 2.64Å; E74-R292 PolarHBondContact OE2-NH2 3.47Å; H160-R292 PolarHBondContact CE1-NH2 3.34Å; H160-R292 PolarHBondContact ND1-NH2 3.48Å; H160-R292 VanDerWaalsContact ND1-NH2 3.13Å; I290-R292 PolarHBondContact O-N 2.79Å
293E90.5Very high92.2Very high126 Ų12655.4 Ų55.459%0.58928%0.275SS*.  trans-98-21.6178.9-65.9-171.5-174.800112.7G30 A192 F291G30-E293 PolarHBondContact O-N 2.94Å; G30-E293 VanDerWaalsContact O-N 3.08Å; A192-E293 HydrophobicContact CB-CB 4.19Å; A192-E293 HydrophobicContact CB-CG 3.98Å; F291-E293 PolarHBondContact O-N 3.11Å
294Y89.2Confident91.6Very high68 Ų6864.2 Ų64.227%0.26731%0.313SS..SBendtrans-104154.9-179.2-53.2-73.4000112.3L26 G30 D193L26-Y294 HydrophobicContact CD2-CD1 4.29Å; L26-Y294 HydrophobicContact CD2-CD2 4.32Å; L26-Y294 HydrophobicContact CD2-CE1 4.05Å; L26-Y294 HydrophobicContact CD2-CE2 4.09Å; L26-Y294 HydrophobicContact CD2-CG 4.41Å; L26-Y294 HydrophobicContact CG-CE2 4.49Å; G30-Y294 WeakPolarHBondContact CA-O 3.4Å; G30-Y294 PolarHBondContact O-N 2.9Å; G30-Y294 VanDerWaalsContact O-N 3.13Å; D193-Y294 WeakPolarHBondContact OD1-CE2 3.33Å; D193-Y294 VanDerWaalsContact OD1-CZ 3.31Å; D193-Y294 PolarHBondContact OD1-OH 3.32Å; D193-Y294 PolarHBondContact OD2-OH 2.93Å
295P86.8Confident91Very high107 Ų10768.7 Ų68.770%0.69534%0.336SS*.  trans-55145.2170-25.535.1000112.3
296T90.3Very high90.8Very high59 Ų5970 Ų7036%0.36234%0.342SS..BIsolated β-bridgetrans-99.9155.1172.662.90000110.1F298T296-F298 VanDerWaalsContact C-N 3.26Å; T296-F298 HydrophobicContact CG2-CD2 4.25Å; T296-F298 HydrophobicContact CG2-CE1 4.45Å; T296-F298 HydrophobicContact CG2-CE2 4.17Å; T296-F298 HydrophobicContact CG2-CG 4.47Å; T296-F298 HydrophobicContact CG2-CZ 4.3Å
297N88.2Confident90.6Very high82 Ų8272.2 Ų72.244%0.43935%0.354SS..  trans-9419.3172.274.3-25.1000112.6F28 R107F28-N297 HydrophobicContact CD1-CB 4.19Å; F28-N297 WeakPolarHBondContact CD1-ND2 3.28Å; F28-N297 PolarHBondContact O-OD1 3.01Å; R107-N297 PolarHBondContact NH2-OD1 3.02Å
298F90.7Very high90.4Very high36 Ų3677.2 Ų77.216%0.15837%0.373CS..PPolyproline II helixtrans-62.6137.3-175.1-70-0.3000110.4F28 Y72 E73 T296 Q300F28-F298 WeakPolarHBondContact O-CE1 3.48Å; Y72-F298 HydrophobicContact CD1-CD2 4.09Å; Y72-F298 HydrophobicContact CD1-CG 4.46Å; Y72-F298 HydrophobicContact CE1-CB 4Å; Y72-F298 HydrophobicContact CE1-CD2 4.24Å; Y72-F298 HydrophobicContact CE1-CG 4.24Å; E73-F298 HydrophobicContact CB-CD1 3.42Å; E73-F298 VanDerWaalsContact CB-CD1 3.42Å; E73-F298 HydrophobicContact CB-CE1 3.36Å; E73-F298 HydrophobicContact CB-CE2 4.44Å; E73-F298 HydrophobicContact CB-CG 4.02Å; E73-F298 HydrophobicContact CB-CZ 3.88Å; E73-F298 HydrophobicContact CG-CD1 4.09Å; E73-F298 HydrophobicContact CG-CE1 4.48Å; E73-F298 HydrophobicContact CG-CG 4.43Å; E73-F298 VanDerWaalsContact O-CE1 3.23Å; E73-F298 WeakPolarHBondContact O-CE1 3.5Å; E73-F298 WeakPolarHBondContact O-CZ 3.44Å; T296-F298 VanDerWaalsContact C-N 3.26Å; T296-F298 HydrophobicContact CG2-CD2 4.25Å; T296-F298 HydrophobicContact CG2-CE1 4.45Å; T296-F298 HydrophobicContact CG2-CE2 4.17Å; T296-F298 HydrophobicContact CG2-CG 4.47Å; T296-F298 HydrophobicContact CG2-CZ 4.3Å; F298-Q300 PolarHBondContact O-N 2.81Å
299P89.5Confident90.2Very high58 Ų5879.1 Ų79.138%0.37738%0.38SS..PPolyproline II helixtrans-53.8134.2174.2-23.429.8000110.6Y72 R135Y72-P299 WeakPolarHBondContact OH-CB 3.34Å; Y72-P299 VanDerWaalsContact OH-CD 3.28Å; Y72-P299 WeakPolarHBondContact OH-CD 3.41Å; Y72-P299 WeakPolarHBondContact OH-CG 3.44Å; Y72-P299 PolarHBondContact OH-O 2.72Å; R135-P299 PolarHBondContact NH1-O 2.95Å
300Q86.7Confident90.2Very high168 Ų16878.2 Ų78.279%0.78538%0.376SS*.PPolyproline II helixtrans-63.8144.5178.9-69.1-65.4-23.100110.4F298F298-Q300 PolarHBondContact O-N 2.81Å
301P86.4Confident90.2Very high24 Ų2478.8 Ų78.816%0.15638%0.378CS..PPolyproline II helixtrans-58.2140.9173-20.931.2000111.8R135 I260 I303 F306R135-P301 VanDerWaalsContact NH1-CD 3.35Å; I260-P301 HydrophobicContact CD1-CB 3.79Å; I260-P301 HydrophobicContact CD1-CG 4.22Å; I260-P301 HydrophobicContact CG1-CB 3.75Å; I260-P301 HydrophobicContact CG1-CG 4.03Å; I260-P301 HydrophobicContact CG2-CG 3.98Å; P301-I303 PolarHBondContact O-N 3.07Å; P301-F306 HydrophobicContact CB-CD1 4.47Å; P301-F306 HydrophobicContact CB-CE1 4.37Å; P301-F306 HydrophobicContact CG-CD1 4.44Å; P301-F306 HydrophobicContact CG-CE1 3.86Å
302K85.8Confident90.4Very high176 Ų17676.1 Ų76.177%0.76537%0.366SS*.SBendtrans-61.2-35.8173.3-65.7179.6-177.2172.30111.7E134 K304E134-K302 IonicContact OE2-NZ 2.66Å; E134-K302 PolarHBondContact OE2-NZ 3.04Å; K302-K304 PolarHBondContact O-N 3.28Å
303I84.4Confident90.7Very high68 Ų6873 Ų7335%0.34935%0.354SS..SBendtrans-83.3113.2-178.6-56.1175.5000109.3H259 P301 F306H259-I303 HydrophobicContact CB-CD1 4.22Å; H259-I303 WeakPolarHBondContact ND1-CD1 3.43Å; P301-I303 PolarHBondContact O-N 3.07Å; I303-F306 HydrophobicContact CG2-CB 4.12Å; I303-F306 WeakPolarHBondContact O-CD1 3.47Å
304K84.7Confident91.1Very high184 Ų18467 Ų6780%0.833%0.327SS*.THydrogen-bonded Turntrans-78.8154.5173.7-64-176.1179.7-1800111K302 F306K302-K304 PolarHBondContact O-N 3.28Å; K304-F306 PolarHBondContact O-N 2.82Å
305N85.7Confident91.5Very high105 Ų10563.8 Ų63.856%0.56131%0.314SS*.THydrogen-bonded Turntrans56.321.2176.7-64.2-25.9000115.6L307 R308 R309N305-L307 PolarHBondContact O-N 3.35Å; N305-R308 PolarHBondContact O-N 3.21Å; N305-R309 PolarHBondContact O-N 3.13Å
306F92.5Very high91.9Very high27 Ų2760.8 Ų60.812%0.11829%0.291CS..Hα-helixtrans-55.6-38.7-17866.1-90.8000112.7H259 I260 W261 P301 I303 K304 R308 R309 N310H259-F306 HydrophobicContact CB-CB 3.96Å; H259-F306 WeakPolarHBondContact O-CD2 3.3Å; I260-F306 HydrophobicContact CB-CD1 4.37Å; I260-F306 HydrophobicContact CB-CD2 3.73Å; I260-F306 HydrophobicContact CB-CE1 4.33Å; I260-F306 HydrophobicContact CB-CE2 3.68Å; I260-F306 HydrophobicContact CB-CG 4.1Å; I260-F306 HydrophobicContact CB-CZ 3.99Å; I260-F306 HydrophobicContact CG1-CD1 4.2Å; I260-F306 HydrophobicContact CG1-CD2 4.28Å; I260-F306 HydrophobicContact CG1-CE1 4.43Å; I260-F306 HydrophobicContact CG1-CG 4.13Å; I260-F306 HydrophobicContact CG2-CD2 4.44Å; I260-F306 HydrophobicContact CG2-CE1 4.31Å; I260-F306 HydrophobicContact CG2-CE2 3.9Å; I260-F306 HydrophobicContact CG2-CZ 3.82Å; W261-F306 HydrophobicContact CD2-CE2 4.34Å; W261-F306 HydrophobicContact CG-CE2 4.28Å; W261-F306 AromaticContact NE1-CZ 3.77Å; W261-F306 VanDerWaalsContact O-CE2 3.27Å; W261-F306 WeakPolarHBondContact O-CE2 3.47Å; P301-F306 HydrophobicContact CB-CD1 4.47Å; P301-F306 HydrophobicContact CB-CE1 4.37Å; P301-F306 HydrophobicContact CG-CD1 4.44Å; P301-F306 HydrophobicContact CG-CE1 3.86Å; I303-F306 HydrophobicContact CG2-CB 4.12Å; I303-F306 WeakPolarHBondContact O-CD1 3.47Å; K304-F306 PolarHBondContact O-N 2.82Å; F306-R308 PolarHBondContact O-N 2.83Å; F306-R309 WeakPolarHBondContact O-CB 3.4Å; F306-R309 PolarHBondContact O-N 3.26Å; F306-N310 WeakPolarHBondContact O-CB 3.46Å; F306-N310 PolarHBondContact O-N 3.48Å; F306-N310 PolarHBondContact O-OD1 2.88Å
307L93.8Very high92.3Very high52 Ų5258 Ų5827%0.27227%0.274SS..Hα-helixtrans-62-47.9-176.4-174.763.6000112.4W261 N305 R309 N310 F311W261-L307 HydrophobicContact CE3-CD1 4.38Å; W261-L307 HydrophobicContact CH2-CD2 4.24Å; W261-L307 HydrophobicContact CZ3-CD1 4.08Å; N305-L307 PolarHBondContact O-N 3.35Å; L307-R309 VanDerWaalsContact C-N 3.28Å; L307-R309 PolarHBondContact O-N 3.2Å; L307-N310 PolarHBondContact O-N 2.91Å; L307-F311 HydrophobicContact CD1-CD1 4.17Å; L307-F311 HydrophobicContact CD1-CE1 3.54Å; L307-F311 HydrophobicContact CD1-CE2 4.29Å; L307-F311 HydrophobicContact CD1-CZ 3.62Å; L307-F311 HydrophobicContact CD2-CE2 4.41Å; L307-F311 HydrophobicContact CD2-CZ 4.3Å; L307-F311 HydrophobicContact CG-CD2 4.48Å; L307-F311 HydrophobicContact CG-CE1 4.16Å; L307-F311 HydrophobicContact CG-CE2 4.05Å; L307-F311 HydrophobicContact CG-CZ 3.89Å; L307-F311 WeakPolarHBondContact O-CB 3.3Å; L307-F311 VanDerWaalsContact O-CG 3.3Å; L307-F311 WeakPolarHBondContact O-CG 3.34Å; L307-F311 PolarHBondContact O-N 3.35Å
308R94.7Very high92.8Very high105 Ų10554.2 Ų54.240%0.39625%0.253SS..Hα-helixtrans-63.6-37.7177-68-179.9-177.7159.40.4111.4N305 F306 K312 V336N305-R308 PolarHBondContact O-N 3.21Å; F306-R308 PolarHBondContact O-N 2.83Å; R308-K312 WeakPolarHBondContact O-CB 3.28Å; R308-K312 PolarHBondContact O-N 2.8Å; R308-V336 HydrophobicContact CB-CG2 4.12Å
309R95.5Very high93.1Very high39 Ų3952.5 Ų52.515%0.14725%0.246CC..Hα-helixtrans-63.9-47.6175-171.6177.8166.6-77.53.3111.1L257 H259 N305 F306 L307 F311 K312 R313 V336 P338L257-R309 PolarHBondContact O-NH1 3.41Å; H259-R309 PolarHBondContact CD2-NH1 2.94Å; H259-R309 VanDerWaalsContact CD2-NH1 3.34Å; N305-R309 PolarHBondContact O-N 3.13Å; F306-R309 WeakPolarHBondContact O-CB 3.4Å; F306-R309 PolarHBondContact O-N 3.26Å; L307-R309 VanDerWaalsContact C-N 3.28Å; L307-R309 PolarHBondContact O-N 3.2Å; R309-F311 PolarHBondContact O-N 3.31Å; R309-K312 WeakPolarHBondContact O-CB 3.5Å; R309-K312 PolarHBondContact O-N 3.21Å; R309-R313 WeakPolarHBondContact O-CG 3.46Å; R309-R313 PolarHBondContact O-N 3.39Å; R309-V336 HydrophobicContact CB-CG1 3.69Å; R309-V336 HydrophobicContact CG-CG1 4Å; R309-P338 VanDerWaalsContact CZ-O 3.27Å; R309-P338 PolarHBondContact NE-O 2.89Å; R309-P338 PolarHBondContact NH2-O 2.91Å
310N97.2Very high93.3Very high0 Ų051.8 Ų51.80%024%0.239CC..Hα-helixtrans-57.9-48.7176.8-69.9-0.4000110.9L258 H259 W261 G262 F306 L307 K312 R313 V314L258-N310 WeakPolarHBondContact CA-OD1 3.44Å; L258-N310 HydrophobicContact CD2-CB 3.69Å; H259-N310 PolarHBondContact N-ND2 2.78Å; H259-N310 PolarHBondContact N-OD1 2.94Å; H259-N310 PolarHBondContact O-ND2 2.65Å; W261-N310 PolarHBondContact O-ND2 2.71Å; G262-N310 WeakPolarHBondContact O-CB 3.43Å; G262-N310 PolarHBondContact O-ND2 3.16Å; F306-N310 WeakPolarHBondContact O-CB 3.46Å; F306-N310 PolarHBondContact O-N 3.48Å; F306-N310 PolarHBondContact O-OD1 2.88Å; L307-N310 PolarHBondContact O-N 2.91Å; N310-K312 VanDerWaalsContact C-N 3.33Å; N310-K312 PolarHBondContact O-N 2.87Å; N310-R313 PolarHBondContact O-N 3.18Å; N310-R313 VanDerWaalsContact O-N 3.16Å; N310-V314 WeakPolarHBondContact O-CG2 3.23Å; N310-V314 PolarHBondContact O-N 3.5Å
311F97.4Very high93.5Very high16 Ų1645.3 Ų45.37%0.0721%0.209CC..Hα-helixtrans-56.4-45.3175.4-73.1-0.8000112.1F212 Y266 L307 R309 R313 V314 A315 L330F212-F311 HydrophobicContact CB-CD1 4.23Å; F212-F311 HydrophobicContact CB-CD2 3.9Å; F212-F311 HydrophobicContact CB-CE1 3.99Å; F212-F311 HydrophobicContact CB-CE2 3.63Å; F212-F311 HydrophobicContact CB-CG 4.19Å; F212-F311 HydrophobicContact CB-CZ 3.68Å; F212-F311 HydrophobicContact CD2-CB 3.69Å; F212-F311 AromaticContact CD2-CD1 3.76Å; F212-F311 HydrophobicContact CD2-CD1 3.76Å; F212-F311 AromaticContact CD2-CD2 3.96Å; F212-F311 HydrophobicContact CD2-CD2 3.96Å; F212-F311 HydrophobicContact CD2-CE1 4.32Å; F212-F311 HydrophobicContact CD2-CE2 4.49Å; F212-F311 AromaticContact CD2-CG 3.55Å; F212-F311 HydrophobicContact CD2-CG 3.55Å; F212-F311 HydrophobicContact CE2-CB 4.11Å; F212-F311 HydrophobicContact CE2-CD1 4.5Å; F212-F311 HydrophobicContact CE2-CG 4.37Å; F212-F311 HydrophobicContact CG-CD1 4.45Å; F212-F311 HydrophobicContact CG-CD2 4.49Å; F212-F311 HydrophobicContact CG-CG 4.4Å; Y266-F311 HydrophobicContact CE2-CE1 4.23Å; L307-F311 HydrophobicContact CD1-CD1 4.17Å; L307-F311 HydrophobicContact CD1-CE1 3.54Å; L307-F311 HydrophobicContact CD1-CE2 4.29Å; L307-F311 HydrophobicContact CD1-CZ 3.62Å; L307-F311 HydrophobicContact CD2-CE2 4.41Å; L307-F311 HydrophobicContact CD2-CZ 4.3Å; L307-F311 HydrophobicContact CG-CD2 4.48Å; L307-F311 HydrophobicContact CG-CE1 4.16Å; L307-F311 HydrophobicContact CG-CE2 4.05Å; L307-F311 HydrophobicContact CG-CZ 3.89Å; L307-F311 WeakPolarHBondContact O-CB 3.3Å; L307-F311 VanDerWaalsContact O-CG 3.3Å; L307-F311 WeakPolarHBondContact O-CG 3.34Å; L307-F311 PolarHBondContact O-N 3.35Å; R309-F311 PolarHBondContact O-N 3.31Å; F311-R313 PolarHBondContact O-N 3.45Å; F311-V314 PolarHBondContact O-N 3.42Å; F311-A315 VanDerWaalsContact O-CB 3.28Å; F311-A315 WeakPolarHBondContact O-CB 3.4Å; F311-A315 PolarHBondContact O-N 3.38Å; F311-L330 HydrophobicContact CD2-CD1 3.95Å; F311-L330 HydrophobicContact CE2-CD1 4.31Å
312K96.9Very high93.7Very high27 Ų2745.4 Ų45.412%0.11721%0.206CC..Hα-helixtrans-60.5-46.3176-166.1-177.8-174.2165.60111.9R308 R309 N310 V314 A315 E316 Y327 C333 R334 V336 P338R308-K312 WeakPolarHBondContact O-CB 3.28Å; R308-K312 PolarHBondContact O-N 2.8Å; R309-K312 WeakPolarHBondContact O-CB 3.5Å; R309-K312 PolarHBondContact O-N 3.21Å; N310-K312 VanDerWaalsContact C-N 3.33Å; N310-K312 PolarHBondContact O-N 2.87Å; K312-V314 VanDerWaalsContact C-N 3.33Å; K312-V314 PolarHBondContact O-N 3.36Å; K312-A315 PolarHBondContact O-N 3.47Å; K312-E316 HydrophobicContact CG-CG 4.08Å; K312-E316 WeakPolarHBondContact O-CB 3.41Å; K312-E316 VanDerWaalsContact O-CG 3.3Å; K312-E316 WeakPolarHBondContact O-CG 3.25Å; K312-E316 PolarHBondContact O-N 2.99Å; K312-Y327 HydrophobicContact CG-CE1 4.2Å; K312-Y327 VanDerWaalsContact CG-OH 3.31Å; K312-Y327 WeakPolarHBondContact CG-OH 3.02Å; K312-C333 VanDerWaalsContact CD-O 3.29Å; K312-C333 WeakPolarHBondContact CD-O 3.17Å; K312-R334 PolarHBondContact NZ-O 3.12Å; K312-V336 WeakPolarHBondContact CD-O 3.21Å; K312-V336 WeakPolarHBondContact CE-O 3.35Å; K312-V336 PolarHBondContact NZ-O 3.18Å; K312-P338 HydrophobicContact CD-CB 4.01Å; K312-P338 HydrophobicContact CD-CG 4.01Å; K312-P338 HydrophobicContact CG-CB 4.24Å
313R97.7Very high94.1Very high5 Ų537.9 Ų37.92%0.01917%0.173CC..Hα-helixtrans-58.4-45.8178.2-67.7-174.864.780.24111.4D255 L258 R309 N310 F311 V317 P338 D340 L341D255-R313 VanDerWaalsContact CG-NH2 3.3Å; D255-R313 IonicContact OD1-CZ 2.89Å; D255-R313 IonicContact OD1-NE 3.96Å; D255-R313 IonicContact OD1-NH2 3.68Å; D255-R313 PolarHBondContact OD1-NH2 3.29Å; D255-R313 IonicContact OD2-CZ 2.78Å; D255-R313 IonicContact OD2-NE 3.85Å; D255-R313 PolarHBondContact OD2-NE 3.39Å; D255-R313 IonicContact OD2-NH2 3.02Å; D255-R313 PolarHBondContact OD2-NH2 2.9Å; L258-R313 HydrophobicContact CD2-CB 4.13Å; R309-R313 WeakPolarHBondContact O-CG 3.46Å; R309-R313 PolarHBondContact O-N 3.39Å; N310-R313 PolarHBondContact O-N 3.18Å; N310-R313 VanDerWaalsContact O-N 3.16Å; F311-R313 PolarHBondContact O-N 3.45Å; R313-V317 WeakPolarHBondContact O-CB 3.05Å; R313-V317 VanDerWaalsContact O-CG2 3.23Å; R313-V317 WeakPolarHBondContact O-CG2 3.37Å; R313-V317 PolarHBondContact O-N 2.64Å; R313-P338 WeakPolarHBondContact CD-O 3.39Å; R313-P338 HydrophobicContact CG-CB 3.84Å; R313-P338 WeakPolarHBondContact CG-O 3.44Å; R313-P338 PolarHBondContact NH1-O 3.14Å; R313-D340 PolarHBondContact NH1-O 3.44Å; R313-D340 PolarHBondContact NH2-O 2.76Å; R313-L341 HydrophobicContact CB-CD2 4.08Å; R313-L341 HydrophobicContact CG-CD2 3.95Å
314V98.3Very high94.4Very high2 Ų235.3 Ų35.31%0.01216%0.16CC..Hα-helixtrans-63.9-48.5177.5177.90000111.2F212 L258 G263 E267 F270 N310 F311 K312 V317 W318F212-V314 HydrophobicContact CE2-CB 4.35Å; F212-V314 HydrophobicContact CE2-CG1 4.37Å; F212-V314 HydrophobicContact CZ-CB 4.47Å; F212-V314 HydrophobicContact CZ-CG1 4.02Å; L258-V314 HydrophobicContact CD2-CG2 4.29Å; G263-V314 WeakPolarHBondContact O-CG2 3.5Å; E267-V314 HydrophobicContact CB-CG2 3.91Å; E267-V314 HydrophobicContact CG-CG2 4.37Å; F270-V314 HydrophobicContact CD2-CG1 4.01Å; F270-V314 HydrophobicContact CE2-CG1 3.92Å; N310-V314 WeakPolarHBondContact O-CG2 3.23Å; N310-V314 PolarHBondContact O-N 3.5Å; F311-V314 PolarHBondContact O-N 3.42Å; K312-V314 VanDerWaalsContact C-N 3.33Å; K312-V314 PolarHBondContact O-N 3.36Å; V314-V317 PolarHBondContact O-N 3.17Å; V314-W318 WeakPolarHBondContact O-CB 3.16Å; V314-W318 PolarHBondContact O-N 2.97Å
315A97.5Very high94.7Very high0 Ų027.4 Ų27.40%013%0.125CC..Hα-helixtrans-63.3-45.6-177.200000112.2F212 F311 K312 V317 M319 K323F212-A315 HydrophobicContact CE2-CB 4.23Å; F212-A315 HydrophobicContact CZ-CB 4.44Å; F311-A315 VanDerWaalsContact O-CB 3.28Å; F311-A315 WeakPolarHBondContact O-CB 3.4Å; F311-A315 PolarHBondContact O-N 3.38Å; K312-A315 PolarHBondContact O-N 3.47Å; A315-V317 PolarHBondContact O-N 2.83Å; A315-M319 HydrophobicContact CB-CG 4.48Å; A315-M319 HydrophobicContact CB-SD 3.87Å; A315-M319 WeakPolarHBondContact O-CB 3.41Å; A315-M319 PolarHBondContact O-N 3.26Å; A315-M319 VanDerWaalsContact O-N 3.12Å; A315-K323 HydrophobicContact CB-CB 3.83Å
316E97Very high95.1Very high44 Ų4422.4 Ų22.421%0.20610%0.098CC..Hα-helixtrans-63.4-38.6178.5-73.5-63.9157.600113K312 K323 Y327 L341 H345K312-E316 HydrophobicContact CG-CG 4.08Å; K312-E316 WeakPolarHBondContact O-CB 3.41Å; K312-E316 VanDerWaalsContact O-CG 3.3Å; K312-E316 WeakPolarHBondContact O-CG 3.25Å; K312-E316 PolarHBondContact O-N 2.99Å; E316-K323 IonicContact OE1-NZ 2.66Å; E316-K323 IonicContact OE2-NZ 3.8Å; E316-K323 PolarHBondContact OE2-NZ 3.49Å; E316-Y327 VanDerWaalsContact CD-OH 3.23Å; E316-Y327 VanDerWaalsContact CG-OH 3.29Å; E316-Y327 WeakPolarHBondContact CG-OH 3.29Å; E316-Y327 WeakPolarHBondContact OE1-CE2 3.23Å; E316-Y327 PolarHBondContact OE1-OH 2.7Å; E316-L341 HydrophobicContact CB-CD1 3.54Å; E316-L341 HydrophobicContact CG-CD1 4.07Å; E316-H345 PolarHBondContact O-CE1 2.79Å
317V98.1Very high95Very high1 Ų121.4 Ų21.41%0.0069%0.094CC..Hα-helixtrans-83.8-39.6-175.7177.10000112.2R313 V314 A315 L341 Q344 R348R313-V317 WeakPolarHBondContact O-CB 3.05Å; R313-V317 VanDerWaalsContact O-CG2 3.23Å; R313-V317 WeakPolarHBondContact O-CG2 3.37Å; R313-V317 PolarHBondContact O-N 2.64Å; V314-V317 PolarHBondContact O-N 3.17Å; A315-V317 PolarHBondContact O-N 2.83Å; V317-L341 HydrophobicContact CG2-CB 4.36Å; V317-L341 HydrophobicContact CG2-CD1 4.43Å; V317-L341 HydrophobicContact CG2-CD2 3.86Å; V317-L341 HydrophobicContact CG2-CG 4.46Å; V317-Q344 HydrophobicContact CB-CB 4.37Å; V317-Q344 HydrophobicContact CG1-CB 3.78Å; V317-Q344 HydrophobicContact CG2-CB 3.65Å; V317-Q344 HydrophobicContact CG2-CG 4.49Å; V317-R348 VanDerWaalsContact O-CD 3.25Å; V317-R348 WeakPolarHBondContact O-CD 3.46Å; V317-R348 PolarHBondContact O-NH1 2.89Å
318W98.1Very high94.8Very high2 Ų223 Ų231%0.00810%0.096CC..Hα-helixtrans-116.1-21.7-163.4-61.3103.3000114.8F270 K271 M274 V314 R348 F356F270-W318 HydrophobicContact CB-CB 4.16Å; F270-W318 HydrophobicContact CB-CG 4.42Å; F270-W318 HydrophobicContact CD2-CB 3.79Å; F270-W318 HydrophobicContact CG-CB 4.43Å; K271-W318 HydrophobicContact CD-CH2 4.3Å; K271-W318 HydrophobicContact CD-CZ2 3.94Å; K271-W318 HydrophobicContact CG-CD2 4.38Å; K271-W318 HydrophobicContact CG-CE3 4.35Å; K271-W318 HydrophobicContact CG-CH2 3.41Å; K271-W318 VanDerWaalsContact CG-CH2 3.41Å; K271-W318 HydrophobicContact CG-CZ2 3.43Å; K271-W318 VanDerWaalsContact CG-CZ2 3.43Å; K271-W318 HydrophobicContact CG-CZ3 3.88Å; M274-W318 HydrophobicContact CE-CE3 4.4Å; M274-W318 WeakPolarHBondContact CE-O 3.11Å; M274-W318 HydrophobicContact SD-CE3 4.47Å; V314-W318 WeakPolarHBondContact O-CB 3.16Å; V314-W318 PolarHBondContact O-N 2.97Å; W318-R348 HydrophobicContact CE3-CG 4.29Å; W318-R348 HydrophobicContact CH2-CB 3.88Å; W318-R348 HydrophobicContact CH2-CG 4.08Å; W318-R348 HydrophobicContact CZ3-CB 4.05Å; W318-R348 HydrophobicContact CZ3-CG 3.71Å; W318-F356 WeakPolarHBondContact O-CB 3.29Å; W318-F356 WeakPolarHBondContact O-CD2 3.27Å
319M97.2Very high94.5Very high0 Ų019.9 Ų19.90%09%0.09CC..SBendtrans-93.60.1-173.5-64.2-176.277.500114.9F208 W210 F212 F270 A315 E321 Y322 K323 I326 F356F208-M319 HydrophobicContact CE2-CE 4.16Å; W210-M319 HydrophobicContact CZ3-CE 4.17Å; F212-M319 HydrophobicContact CE1-CE 4.08Å; F212-M319 HydrophobicContact CE1-SD 3.49Å; F212-M319 WeakPolarHBondContact CE1-SD 3.27Å; F212-M319 HydrophobicContact CE2-SD 4.14Å; F212-M319 HydrophobicContact CZ-CE 4.34Å; F212-M319 HydrophobicContact CZ-CG 4.29Å; F212-M319 HydrophobicContact CZ-SD 3.17Å; F212-M319 WeakPolarHBondContact CZ-SD 3.46Å; F270-M319 HydrophobicContact CE2-CG 4.1Å; A315-M319 HydrophobicContact CB-CG 4.48Å; A315-M319 HydrophobicContact CB-SD 3.87Å; A315-M319 WeakPolarHBondContact O-CB 3.41Å; A315-M319 PolarHBondContact O-N 3.26Å; A315-M319 VanDerWaalsContact O-N 3.12Å; M319-E321 PolarHBondContact O-N 2.58Å; M319-E321 VanDerWaalsContact O-N 3.14Å; M319-Y322 WeakPolarHBondContact O-CB 3.03Å; M319-Y322 PolarHBondContact O-N 2.87Å; M319-K323 HydrophobicContact CB-CB 4.18Å; M319-I326 HydrophobicContact CE-CD1 3.97Å; M319-I326 HydrophobicContact CE-CG1 3.66Å; M319-I326 HydrophobicContact SD-CD1 4.27Å; M319-I326 HydrophobicContact SD-CG1 3.6Å; M319-I326 VanDerWaalsContact SD-CG1 3.6Å; M319-F356 HydrophobicContact CB-CD1 4.28Å; M319-F356 HydrophobicContact CB-CD2 4.4Å; M319-F356 HydrophobicContact CB-CE1 4.36Å; M319-F356 HydrophobicContact CB-CE2 4.48Å; M319-F356 HydrophobicContact CB-CG 4.28Å; M319-F356 HydrophobicContact CB-CZ 4.45Å; M319-F356 HydrophobicContact CE-CE1 3.79Å; M319-F356 HydrophobicContact CE-CZ 3.8Å; M319-F356 HydrophobicContact CG-CD2 4.24Å; M319-F356 HydrophobicContact CG-CE1 4.23Å; M319-F356 HydrophobicContact CG-CE2 3.89Å; M319-F356 HydrophobicContact CG-CZ 3.87Å
320D94.7Very high94.2Very high42 Ų4219.9 Ų19.923%0.2259%0.093CC..G310 helixtrans47.2-120.7-175.5-60.9-39.8000110.9K323 R348 S355 F356D320-K323 VanDerWaalsContact O-CD 3.29Å; D320-K323 WeakPolarHBondContact O-CD 3.4Å; D320-K323 VanDerWaalsContact O-CG 3.27Å; D320-K323 WeakPolarHBondContact O-CG 3.28Å; D320-R348 IonicContact OD1-CZ 3.75Å; D320-R348 IonicContact OD1-NH1 2.79Å; D320-R348 PolarHBondContact OD1-NH1 3.11Å; D320-R348 IonicContact OD1-NH2 2.93Å; D320-R348 PolarHBondContact OD1-NH2 3.36Å; D320-R348 IonicContact OD2-CZ 2.64Å; D320-R348 IonicContact OD2-NH1 3.77Å; D320-R348 IonicContact OD2-NH2 3.07Å; D320-R348 PolarHBondContact OD2-NH2 3.26Å; D320-S355 WeakPolarHBondContact OD2-CA 3.27Å; D320-F356 HydrophobicContact CB-CB 4.27Å; D320-F356 PolarHBondContact OD2-N 3.12Å
321E89.2Confident93.8Very high33 Ų3323.4 Ų23.415%0.15412%0.116CC..G310 helixtrans-76.8-23.6-179.669.3-94.2-15400114.4M319 K323 E324 F427 L523M319-E321 PolarHBondContact O-N 2.58Å; M319-E321 VanDerWaalsContact O-N 3.14Å; E321-K323 PolarHBondContact O-N 2.82Å; E321-K323 VanDerWaalsContact O-N 3.16Å; E321-E324 PolarHBondContact O-N 3Å; E321-F427 HydrophobicContact CB-CD1 4.43Å; E321-F427 HydrophobicContact CB-CE1 3.51Å; E321-F427 HydrophobicContact CB-CZ 4.19Å; E321-F427 HydrophobicContact CG-CD1 3.62Å; E321-F427 HydrophobicContact CG-CE1 3.15Å; E321-F427 HydrophobicContact CG-CZ 4.15Å; E321-F427 WeakPolarHBondContact O-CZ 3.47Å; E321-L523 HydrophobicContact CB-CD2 3.15Å; E321-L523 HydrophobicContact CG-CD2 4.21Å
322Y92.2Very high93.4Very high25 Ų2526.4 Ų26.410%0.09813%0.13CC..G310 helixtrans-69-13.6-178.3-70.2-100.1000113.5W210 M319 E324 Y325 F356 K357 M360W210-Y322 AromaticContact CH2-CD1 3.69Å; W210-Y322 HydrophobicContact CH2-CD1 3.69Å; W210-Y322 HydrophobicContact CH2-CE1 4.4Å; W210-Y322 HydrophobicContact CZ3-CD1 4.08Å; M319-Y322 WeakPolarHBondContact O-CB 3.03Å; M319-Y322 PolarHBondContact O-N 2.87Å; Y322-E324 PolarHBondContact O-N 3.44Å; Y322-E324 VanDerWaalsContact O-N 3.12Å; Y322-Y325 HydrophobicContact CD1-CD2 4.06Å; Y322-Y325 AromaticContact CD1-CE2 3.99Å; Y322-Y325 HydrophobicContact CD1-CE2 3.99Å; Y322-Y325 HydrophobicContact CE1-CE2 4.47Å; Y322-Y325 WeakPolarHBondContact O-CB 3.33Å; Y322-Y325 PolarHBondContact O-N 2.99Å; Y322-Y325 VanDerWaalsContact O-N 3.08Å; Y322-F356 HydrophobicContact CD1-CD1 4.43Å; Y322-F356 HydrophobicContact CD2-CB 4.44Å; Y322-F356 AromaticContact CD2-CD1 3.67Å; Y322-F356 HydrophobicContact CD2-CD1 3.67Å; Y322-F356 HydrophobicContact CE2-CD1 4.43Å; Y322-F356 AromaticContact CG-CD1 3.66Å; Y322-F356 HydrophobicContact CG-CD1 3.66Å; Y322-F356 HydrophobicContact CG-CE1 4.08Å; Y322-K357 HydrophobicContact CE2-CB 3.9Å; Y322-K357 HydrophobicContact CE2-CG 4.43Å; Y322-M360 HydrophobicContact CD1-CG 4.36Å; Y322-M360 HydrophobicContact CE1-CG 4.09Å
323K93.9Very high93.1Very high19 Ų1925.2 Ų25.28%0.08313%0.125CC..Hα-helixtrans-55.4-26.5172.370.4-172.2177-176.80113A315 E316 M319 D320 E321 Y325 I326 Y327A315-K323 HydrophobicContact CB-CB 3.83Å; E316-K323 IonicContact OE1-NZ 2.66Å; E316-K323 IonicContact OE2-NZ 3.8Å; E316-K323 PolarHBondContact OE2-NZ 3.49Å; M319-K323 HydrophobicContact CB-CB 4.18Å; D320-K323 VanDerWaalsContact O-CD 3.29Å; D320-K323 WeakPolarHBondContact O-CD 3.4Å; D320-K323 VanDerWaalsContact O-CG 3.27Å; D320-K323 WeakPolarHBondContact O-CG 3.28Å; E321-K323 PolarHBondContact O-N 2.82Å; E321-K323 VanDerWaalsContact O-N 3.16Å; K323-Y325 PolarHBondContact O-N 2.94Å; K323-I326 WeakPolarHBondContact O-CA 3.07Å; K323-I326 WeakPolarHBondContact O-CB 3.36Å; K323-I326 PolarHBondContact O-N 2.92Å; K323-Y327 HydrophobicContact CB-CE2 4.27Å; K323-Y327 HydrophobicContact CD-CE2 4.08Å; K323-Y327 HydrophobicContact CG-CD2 4.36Å; K323-Y327 HydrophobicContact CG-CE2 3.94Å; K323-Y327 PolarHBondContact O-N 2.64Å
324E90.7Very high92.7Very high14 Ų1429.8 Ų29.87%0.06514%0.142CC..Hα-helixtrans-61.6-31.7177.5-74.4-59.2112.100113.2E321 Y322 Y327 R328 R334 V377 F427 I522E321-E324 PolarHBondContact O-N 3Å; Y322-E324 PolarHBondContact O-N 3.44Å; Y322-E324 VanDerWaalsContact O-N 3.12Å; E324-Y327 PolarHBondContact O-N 2.92Å; E324-R328 WeakPolarHBondContact O-CG 3.33Å; E324-R328 PolarHBondContact O-N 3.27Å; E324-R334 VanDerWaalsContact CD-NH1 3.34Å; E324-R334 IonicContact OE1-CZ 3.07Å; E324-R334 IonicContact OE1-NH1 3.66Å; E324-R334 PolarHBondContact OE1-NH1 2.89Å; E324-R334 IonicContact OE1-NH2 3.65Å; E324-R334 IonicContact OE2-CZ 3.85Å; E324-R334 VanDerWaalsContact OE2-CZ 3.29Å; E324-R334 IonicContact OE2-NH1 2.65Å; E324-R334 PolarHBondContact OE2-NH1 3.3Å; E324-R334 IonicContact OE2-NH2 3.85Å; E324-R334 PolarHBondContact OE2-NH2 3.1Å; E324-V377 HydrophobicContact CB-CG1 4Å; E324-V377 HydrophobicContact CB-CG2 3.85Å; E324-V377 HydrophobicContact CG-CG1 4.31Å; E324-F427 HydrophobicContact CB-CZ 4.46Å; E324-I522 HydrophobicContact CG-CB 4.41Å; E324-I522 HydrophobicContact CG-CG1 4.4Å; E324-I522 HydrophobicContact CG-CG2 3.57Å
325Y91.2Very high92.3Very high18 Ų1837 Ų377%0.07117%0.174CC..Hα-helixtrans-67.4-39.5173.7-69.4-56.3000111.6W210 Y322 K323 Y327 R328 S329 P373 P374 V377 F427W210-Y325 HydrophobicContact CD2-CD2 4.42Å; W210-Y325 HydrophobicContact CD2-CG 4.26Å; W210-Y325 AromaticContact CE3-CD2 3.87Å; W210-Y325 HydrophobicContact CE3-CD2 3.87Å; W210-Y325 AromaticContact CE3-CG 3.87Å; W210-Y325 HydrophobicContact CE3-CG 3.87Å; W210-Y325 AromaticContact CH2-CD2 3.79Å; W210-Y325 HydrophobicContact CH2-CD2 3.79Å; W210-Y325 HydrophobicContact CH2-CE2 4.27Å; W210-Y325 HydrophobicContact CZ2-CD2 4.35Å; W210-Y325 AromaticContact CZ3-CD2 3.53Å; W210-Y325 HydrophobicContact CZ3-CD2 3.53Å; W210-Y325 HydrophobicContact CZ3-CE2 4.44Å; W210-Y325 HydrophobicContact CZ3-CG 4.04Å; Y322-Y325 HydrophobicContact CD1-CD2 4.06Å; Y322-Y325 AromaticContact CD1-CE2 3.99Å; Y322-Y325 HydrophobicContact CD1-CE2 3.99Å; Y322-Y325 HydrophobicContact CE1-CE2 4.47Å; Y322-Y325 WeakPolarHBondContact O-CB 3.33Å; Y322-Y325 PolarHBondContact O-N 2.99Å; Y322-Y325 VanDerWaalsContact O-N 3.08Å; K323-Y325 PolarHBondContact O-N 2.94Å; Y325-Y327 VanDerWaalsContact C-N 3.31Å; Y325-Y327 PolarHBondContact O-N 3.5Å; Y325-R328 PolarHBondContact O-N 3.32Å; Y325-S329 PolarHBondContact O-N 3.43Å; Y325-S329 VanDerWaalsContact O-N 3.08Å; Y325-S329 PolarHBondContact O-OG 3.4Å; Y325-P373 HydrophobicContact CD1-CB 3.37Å; Y325-P373 HydrophobicContact CD1-CG 4.34Å; Y325-P373 HydrophobicContact CD2-CB 4.17Å; Y325-P373 HydrophobicContact CE1-CB 3.32Å; Y325-P373 HydrophobicContact CE1-CG 3.82Å; Y325-P373 HydrophobicContact CE2-CB 4.12Å; Y325-P373 HydrophobicContact CE2-CG 4.31Å; Y325-P373 HydrophobicContact CG-CB 3.78Å; Y325-P374 HydrophobicContact CD1-CG 4.23Å; Y325-V377 HydrophobicContact CD1-CG2 3.59Å; Y325-V377 HydrophobicContact CE1-CB 4.29Å; Y325-V377 HydrophobicContact CE1-CG2 3.6Å; Y325-V377 HydrophobicContact CG-CG2 4.28Å; Y325-F427 HydrophobicContact CD2-CD2 4.31Å; Y325-F427 AromaticContact CD2-CE2 3.87Å; Y325-F427 HydrophobicContact CD2-CE2 3.87Å; Y325-F427 HydrophobicContact CE1-CD2 4.25Å; Y325-F427 HydrophobicContact CE1-CE2 4.18Å; Y325-F427 AromaticContact CE2-CD2 3.34Å; Y325-F427 HydrophobicContact CE2-CD2 3.34Å; Y325-F427 AromaticContact CE2-CE2 3.34Å; Y325-F427 HydrophobicContact CE2-CE2 3.34Å; Y325-F427 HydrophobicContact CE2-CG 4.3Å; Y325-F427 HydrophobicContact CE2-CZ 4.44Å; Y325-F427 AromaticContact CZ-CD2 3.34Å; Y325-F427 AromaticContact CZ-CE2 3.57Å; Y325-F427 VanDerWaalsContact OH-CD2 3.26Å; Y325-F427 WeakPolarHBondContact OH-CD2 3.34Å
326I92.6Very high92.1Very high0 Ų038.5 Ų38.50%018%0.182CC..Hα-helixtrans-60.2-45.3172.3-57.5-54.7000110.2W210 F212 M319 K323 R328 S329 L330W210-I326 HydrophobicContact CE3-CD1 4.43Å; W210-I326 WeakPolarHBondContact O-CA 3.32Å; W210-I326 WeakPolarHBondContact O-CD1 3.37Å; F212-I326 HydrophobicContact CD1-CD1 3.75Å; F212-I326 HydrophobicContact CD2-CD1 4.34Å; F212-I326 HydrophobicContact CD2-CG2 4.25Å; F212-I326 HydrophobicContact CE1-CD1 3.95Å; F212-I326 HydrophobicContact CE1-CG1 4.32Å; F212-I326 HydrophobicContact CE2-CG1 4.37Å; F212-I326 HydrophobicContact CE2-CG2 4.47Å; F212-I326 HydrophobicContact CG-CD1 3.98Å; F212-I326 HydrophobicContact CZ-CD1 4.37Å; F212-I326 HydrophobicContact CZ-CG1 4.29Å; M319-I326 HydrophobicContact CE-CD1 3.97Å; M319-I326 HydrophobicContact CE-CG1 3.66Å; M319-I326 HydrophobicContact SD-CD1 4.27Å; M319-I326 HydrophobicContact SD-CG1 3.6Å; M319-I326 VanDerWaalsContact SD-CG1 3.6Å; K323-I326 WeakPolarHBondContact O-CA 3.07Å; K323-I326 WeakPolarHBondContact O-CB 3.36Å; K323-I326 PolarHBondContact O-N 2.92Å; I326-R328 VanDerWaalsContact C-N 3.3Å; I326-R328 PolarHBondContact O-N 3.43Å; I326-S329 PolarHBondContact O-N 2.95Å; I326-L330 HydrophobicContact CG2-CD1 4.4Å; I326-L330 WeakPolarHBondContact O-CA 3.31Å; I326-L330 WeakPolarHBondContact O-CB 3.45Å; I326-L330 PolarHBondContact O-N 2.82Å
327Y91.6Very high91.9Very high6 Ų642.1 Ų42.12%0.02420%0.203CC..Hα-helixtrans-72.3-19.6-179.4-65.1-28.7000115.1K312 E316 K323 E324 Y325 L330 P331 C333 R334K312-Y327 HydrophobicContact CG-CE1 4.2Å; K312-Y327 VanDerWaalsContact CG-OH 3.31Å; K312-Y327 WeakPolarHBondContact CG-OH 3.02Å; E316-Y327 VanDerWaalsContact CD-OH 3.23Å; E316-Y327 VanDerWaalsContact CG-OH 3.29Å; E316-Y327 WeakPolarHBondContact CG-OH 3.29Å; E316-Y327 WeakPolarHBondContact OE1-CE2 3.23Å; E316-Y327 PolarHBondContact OE1-OH 2.7Å; K323-Y327 HydrophobicContact CB-CE2 4.27Å; K323-Y327 HydrophobicContact CD-CE2 4.08Å; K323-Y327 HydrophobicContact CG-CD2 4.36Å; K323-Y327 HydrophobicContact CG-CE2 3.94Å; K323-Y327 PolarHBondContact O-N 2.64Å; E324-Y327 PolarHBondContact O-N 2.92Å; Y325-Y327 VanDerWaalsContact C-N 3.31Å; Y325-Y327 PolarHBondContact O-N 3.5Å; Y327-L330 CarbonylContact O-C 3.56Å; Y327-P331 VanDerWaalsContact O-CA 3.22Å; Y327-P331 WeakPolarHBondContact O-CA 3.29Å; Y327-C333 HydrophobicContact CD1-CB 3.9Å; Y327-C333 HydrophobicContact CE1-CB 3.99Å; Y327-R334 VanDerWaalsContact CB-NH2 3.29Å; Y327-R334 HydrophobicContact CD1-CG 3.95Å; Y327-R334 HydrophobicContact CD2-CG 3.99Å; Y327-R334 HydrophobicContact CG-CG 3.62Å
328R88.3Confident91.8Very high86 Ų8642.9 Ų42.933%0.32521%0.208SC..Hα-helixtrans-77.6-42.5169.8-77.9-179.9176.7-121.15.7111.3E324 Y325 I326 P374E324-R328 WeakPolarHBondContact O-CG 3.33Å; E324-R328 PolarHBondContact O-N 3.27Å; Y325-R328 PolarHBondContact O-N 3.32Å; I326-R328 VanDerWaalsContact C-N 3.3Å; I326-R328 PolarHBondContact O-N 3.43Å; R328-P374 HydrophobicContact CB-CG 3.94Å
329S89.4Confident91.7Very high38 Ų3844.1 Ų44.127%0.26622%0.222SC..Hα-helixtrans-72.6-32.7177-44.50000112.5W210 S211 Y325 I326W210-S329 WeakPolarHBondContact O-CB 3.45Å; W210-S329 PolarHBondContact O-OG 2.68Å; S211-S329 WeakPolarHBondContact OG-CB 3.29Å; Y325-S329 PolarHBondContact O-N 3.43Å; Y325-S329 VanDerWaalsContact O-N 3.08Å; Y325-S329 PolarHBondContact O-OG 3.4Å; I326-S329 PolarHBondContact O-N 2.95Å
330L90Very high91.6Very high39 Ų3949.2 Ų49.220%0.20425%0.249CC..  trans-125.872.7179.1-59176.4000111.2S211 F311 I326 Y327 E332 C333S211-L330 WeakPolarHBondContact O-CD1 3.43Å; F311-L330 HydrophobicContact CD2-CD1 3.95Å; F311-L330 HydrophobicContact CE2-CD1 4.31Å; I326-L330 HydrophobicContact CG2-CD1 4.4Å; I326-L330 WeakPolarHBondContact O-CA 3.31Å; I326-L330 WeakPolarHBondContact O-CB 3.45Å; I326-L330 PolarHBondContact O-N 2.82Å; Y327-L330 CarbonylContact O-C 3.56Å; L330-E332 PolarHBondContact O-N 3.21Å; L330-E332 VanDerWaalsContact O-N 3.11Å; L330-C333 HydrophobicContact CB-CB 4.37Å; L330-C333 WeakPolarHBondContact O-CB 3.4Å; L330-C333 PolarHBondContact O-N 3.31Å
331P88.1Confident91.8Very high74 Ų7448.1 Ų48.148%0.48124%0.243SC..THydrogen-bonded Turntrans-55.8-32.1-177.8-2736.1000114.4Y327 C333 R334Y327-P331 VanDerWaalsContact O-CA 3.22Å; Y327-P331 WeakPolarHBondContact O-CA 3.29Å; P331-C333 PolarHBondContact O-N 3.34Å; P331-R334 WeakPolarHBondContact O-CB 3.49Å; P331-R334 PolarHBondContact O-N 2.64Å; P331-R334 VanDerWaalsContact O-N 3.11Å
332E88.4Confident92.2Very high80 Ų8049.6 Ų49.637%0.37426%0.257SS..Hα-helixtrans-62.7-26.3177.8-62.7-52.6133.800113.1L330 R334 K335L330-E332 PolarHBondContact O-N 3.21Å; L330-E332 VanDerWaalsContact O-N 3.11Å; E332-R334 PolarHBondContact O-N 3.3Å; E332-K335 PolarHBondContact O-N 2.5Å; E332-K335 IonicContact OE1-NZ 3.6Å; E332-K335 PolarHBondContact OE1-NZ 3.45Å; E332-K335 IonicContact OE2-NZ 2.78Å; E332-K335 PolarHBondContact OE2-NZ 2.99Å
333C90.8Very high92.4Very high1 Ų154.8 Ų54.81%0.00728%0.282CS..Hα-helixtrans-62.4-29.3175.3-70.50000112.1K312 Y327 L330 P331 K335 V336K312-C333 VanDerWaalsContact CD-O 3.29Å; K312-C333 WeakPolarHBondContact CD-O 3.17Å; Y327-C333 HydrophobicContact CD1-CB 3.9Å; Y327-C333 HydrophobicContact CE1-CB 3.99Å; L330-C333 HydrophobicContact CB-CB 4.37Å; L330-C333 WeakPolarHBondContact O-CB 3.4Å; L330-C333 PolarHBondContact O-N 3.31Å; P331-C333 PolarHBondContact O-N 3.34Å; C333-K335 VanDerWaalsContact C-N 3.28Å; C333-K335 PolarHBondContact O-N 2.9Å; C333-V336 PolarHBondContact O-N 2.94Å
334R88.9Confident92.6Very high102 Ų10254.1 Ų54.139%0.38528%0.279SS..Hα-helixtrans-61.8-37.1176.9-69.1-168.8-167.6-92.2-2.9112.2K312 E324 Y327 P331 E332K312-R334 PolarHBondContact NZ-O 3.12Å; E324-R334 VanDerWaalsContact CD-NH1 3.34Å; E324-R334 IonicContact OE1-CZ 3.07Å; E324-R334 IonicContact OE1-NH1 3.66Å; E324-R334 PolarHBondContact OE1-NH1 2.89Å; E324-R334 IonicContact OE1-NH2 3.65Å; E324-R334 IonicContact OE2-CZ 3.85Å; E324-R334 VanDerWaalsContact OE2-CZ 3.29Å; E324-R334 IonicContact OE2-NH1 2.65Å; E324-R334 PolarHBondContact OE2-NH1 3.3Å; E324-R334 IonicContact OE2-NH2 3.85Å; E324-R334 PolarHBondContact OE2-NH2 3.1Å; Y327-R334 VanDerWaalsContact CB-NH2 3.29Å; Y327-R334 HydrophobicContact CD1-CG 3.95Å; Y327-R334 HydrophobicContact CD2-CG 3.99Å; Y327-R334 HydrophobicContact CG-CG 3.62Å; P331-R334 WeakPolarHBondContact O-CB 3.49Å; P331-R334 PolarHBondContact O-N 2.64Å; P331-R334 VanDerWaalsContact O-N 3.11Å; E332-R334 PolarHBondContact O-N 3.3Å
335K90.7Very high93Very high153 Ų15356 Ų5667%0.66529%0.288SS*.Hα-helixtrans-79.2-17.6-174.4-58.1176.3-167.6156.70113.7E332 C333E332-K335 PolarHBondContact O-N 2.5Å; E332-K335 IonicContact OE1-NZ 3.6Å; E332-K335 PolarHBondContact OE1-NZ 3.45Å; E332-K335 IonicContact OE2-NZ 2.78Å; E332-K335 PolarHBondContact OE2-NZ 2.99Å; C333-K335 VanDerWaalsContact C-N 3.28Å; C333-K335 PolarHBondContact O-N 2.9Å
336V92.6Very high93.3Very high31 Ų3159.8 Ų59.819%0.18831%0.309CS..SBendtrans-76135.4-178.51760000110.2R308 R309 K312 C333 P338R308-V336 HydrophobicContact CB-CG2 4.12Å; R309-V336 HydrophobicContact CB-CG1 3.69Å; R309-V336 HydrophobicContact CG-CG1 4Å; K312-V336 WeakPolarHBondContact CD-O 3.21Å; K312-V336 WeakPolarHBondContact CE-O 3.35Å; K312-V336 PolarHBondContact NZ-O 3.18Å; C333-V336 PolarHBondContact O-N 2.94Å; V336-P338 WeakPolarHBondContact O-CD 3.39Å
337D94.4Very high93.5Very high120 Ų12060.5 Ų60.564%0.64231%0.313SS*.  trans-75117.7170.2178.812.8000110.2G339D337-G339 PolarHBondContact O-N 2.81Å; D337-G339 PolarHBondContact OD1-N 2.94Å
338P95.1Very high93.9Very high17 Ų1761.7 Ų61.711%0.1132%0.318CS..  trans-71.9-12176.230.6-31.3000112.6R309 K312 R313 V336 L341R309-P338 VanDerWaalsContact CZ-O 3.27Å; R309-P338 PolarHBondContact NE-O 2.89Å; R309-P338 PolarHBondContact NH2-O 2.91Å; K312-P338 HydrophobicContact CD-CB 4.01Å; K312-P338 HydrophobicContact CD-CG 4.01Å; K312-P338 HydrophobicContact CG-CB 4.24Å; R313-P338 WeakPolarHBondContact CD-O 3.39Å; R313-P338 HydrophobicContact CG-CB 3.84Å; R313-P338 WeakPolarHBondContact CG-O 3.44Å; R313-P338 PolarHBondContact NH1-O 3.14Å; V336-P338 WeakPolarHBondContact O-CD 3.39Å; P338-L341 HydrophobicContact CB-CD1 4.13Å; P338-L341 HydrophobicContact CB-CD2 4.29Å; P338-L341 HydrophobicContact CB-CG 4.29Å; P338-L341 HydrophobicContact CG-CD1 4.01Å; P338-L341 HydrophobicContact CG-CG 4.38Å
339G94.9Very high94.3Very high28 Ų2865 Ų6529%0.28933%0.334SS..  trans70.2-168.4-164.400000111.7D337 L341D337-G339 PolarHBondContact O-N 2.81Å; D337-G339 PolarHBondContact OD1-N 2.94Å; G339-L341 PolarHBondContact O-N 2.87Å
340D96.1Very high94.7Very high107 Ų10771.5 Ų71.557%0.57235%0.353SS*.  trans-66.3129.6-178.9-173.314.9000112.2R313 S342R313-D340 PolarHBondContact NH1-O 3.44Å; R313-D340 PolarHBondContact NH2-O 2.76Å; D340-S342 WeakPolarHBondContact OD1-CB 3.39Å; D340-S342 PolarHBondContact OD1-N 3.27Å; D340-S342 PolarHBondContact OD1-OG 3.19Å
341L98Very high95.1Very high20 Ų2071.6 Ų71.611%0.10535%0.353CS..  trans-110.9-1.8178.3-64.6178.2000112.6R313 E316 V317 P338 G339 Q343 Q344 H345R313-L341 HydrophobicContact CB-CD2 4.08Å; R313-L341 HydrophobicContact CG-CD2 3.95Å; E316-L341 HydrophobicContact CB-CD1 3.54Å; E316-L341 HydrophobicContact CG-CD1 4.07Å; V317-L341 HydrophobicContact CG2-CB 4.36Å; V317-L341 HydrophobicContact CG2-CD1 4.43Å; V317-L341 HydrophobicContact CG2-CD2 3.86Å; V317-L341 HydrophobicContact CG2-CG 4.46Å; P338-L341 HydrophobicContact CB-CD1 4.13Å; P338-L341 HydrophobicContact CB-CD2 4.29Å; P338-L341 HydrophobicContact CB-CG 4.29Å; P338-L341 HydrophobicContact CG-CD1 4.01Å; P338-L341 HydrophobicContact CG-CG 4.38Å; G339-L341 PolarHBondContact O-N 2.87Å; L341-Q343 VanDerWaalsContact C-N 3.32Å; L341-Q343 PolarHBondContact O-N 3.1Å; L341-Q344 PolarHBondContact O-N 3.26Å; L341-H345 PolarHBondContact O-CD2 3.39Å; L341-H345 PolarHBondContact O-N 2.98Å
342S97.9Very high95.6Very high63 Ų6376.6 Ų76.644%0.44137%0.37SS..Hα-helixtrans-56.7-44.1-172.8-57.40000112.2D340 Q344 H345 N346D340-S342 WeakPolarHBondContact OD1-CB 3.39Å; D340-S342 PolarHBondContact OD1-N 3.27Å; D340-S342 PolarHBondContact OD1-OG 3.19Å; S342-Q344 VanDerWaalsContact C-N 3.34Å; S342-Q344 PolarHBondContact O-N 3.07Å; S342-H345 PolarHBondContact O-N 3.33Å; S342-N346 VanDerWaalsContact O-CB 3.31Å; S342-N346 WeakPolarHBondContact O-CB 3.42Å; S342-N346 PolarHBondContact O-N 3.37Å; S342-N346 PolarHBondContact O-ND2 3.07Å
343Q97.2Very high96Very high134 Ų13473.7 Ų73.763%0.62636%0.359SS*.Hα-helixtrans-61.2-41.8177.5-172.1-179.11000112.2L341 N346 L347L341-Q343 VanDerWaalsContact C-N 3.32Å; L341-Q343 PolarHBondContact O-N 3.1Å; Q343-N346 PolarHBondContact O-N 3.35Å; Q343-L347 VanDerWaalsContact O-CB 3.32Å; Q343-L347 WeakPolarHBondContact O-CB 3.39Å; Q343-L347 PolarHBondContact O-N 2.78Å
344Q98.1Very high96.4Very high5 Ų578.4 Ų78.42%0.02338%0.379CS..Hα-helixtrans-72.5-39.9-178-60.7-54.7-36.300111.7D255 V317 L341 S342 L347 R348D255-Q344 HydrophobicContact CB-CG 4.27Å; D255-Q344 PolarHBondContact OD1-NE2 3.24Å; V317-Q344 HydrophobicContact CB-CB 4.37Å; V317-Q344 HydrophobicContact CG1-CB 3.78Å; V317-Q344 HydrophobicContact CG2-CB 3.65Å; V317-Q344 HydrophobicContact CG2-CG 4.49Å; L341-Q344 PolarHBondContact O-N 3.26Å; S342-Q344 VanDerWaalsContact C-N 3.34Å; S342-Q344 PolarHBondContact O-N 3.07Å; Q344-L347 PolarHBondContact O-N 2.69Å; Q344-R348 PolarHBondContact O-N 3.49Å
345H98.1Very high96.8Very high55 Ų5576 Ų7626%0.25538%0.378SS..Hα-helixtrans-63.9-41.6172-73.2-59.3000112.4E316 L341 S342 R348 K349E316-H345 PolarHBondContact O-CE1 2.79Å; L341-H345 PolarHBondContact O-CD2 3.39Å; L341-H345 PolarHBondContact O-N 2.98Å; S342-H345 PolarHBondContact O-N 3.33Å; H345-R348 PolarHBondContact O-N 2.91Å; H345-K349 WeakPolarHBondContact O-CG 3.37Å; H345-K349 PolarHBondContact O-N 2.84Å
346N98.1Very high97.1Very high96 Ų9668.7 Ų68.751%0.51335%0.346SS..Hα-helixtrans-65.9-39.7177.3-73.3-18.5000111.9S342 Q343 K349 R350S342-N346 VanDerWaalsContact O-CB 3.31Å; S342-N346 WeakPolarHBondContact O-CB 3.42Å; S342-N346 PolarHBondContact O-N 3.37Å; S342-N346 PolarHBondContact O-ND2 3.07Å; Q343-N346 PolarHBondContact O-N 3.35Å; N346-K349 PolarHBondContact O-N 2.91Å; N346-R350 VanDerWaalsContact O-CB 3.31Å; N346-R350 WeakPolarHBondContact O-CB 3.43Å; N346-R350 PolarHBondContact O-N 2.95Å
347L98.1Very high97.2Very high15 Ų1569.8 Ų69.88%0.07935%0.348CS..Hα-helixtrans-57.9-51.1172.4173.764.5000111.2L251 Q343 Q344 K349 R350 L351L251-L347 WeakPolarHBondContact O-CD2 3.41Å; Q343-L347 VanDerWaalsContact O-CB 3.32Å; Q343-L347 WeakPolarHBondContact O-CB 3.39Å; Q343-L347 PolarHBondContact O-N 2.78Å; Q344-L347 PolarHBondContact O-N 2.69Å; L347-K349 VanDerWaalsContact C-N 3.33Å; L347-K349 PolarHBondContact O-N 2.81Å; L347-R350 PolarHBondContact O-N 3.11Å; L347-L351 HydrophobicContact CD1-CD1 3.7Å; L347-L351 HydrophobicContact CD1-CG 4.11Å; L347-L351 HydrophobicContact CG-CD1 4.05Å; L347-L351 WeakPolarHBondContact O-CB 3.5Å; L347-L351 WeakPolarHBondContact O-CG 3.22Å; L347-L351 PolarHBondContact O-N 2.83Å
348R98.2Very high97.3Very high32 Ų3267.4 Ų67.412%0.12133%0.331CS..Hα-helixtrans-59.1-42.1179-175.1174.4177.1-157.1-7.3112.3M274 V317 W318 D320 Q344 H345 Q352 C353 K354M274-R348 VanDerWaalsContact CE-NH2 3.31Å; V317-R348 VanDerWaalsContact O-CD 3.25Å; V317-R348 WeakPolarHBondContact O-CD 3.46Å; V317-R348 PolarHBondContact O-NH1 2.89Å; W318-R348 HydrophobicContact CE3-CG 4.29Å; W318-R348 HydrophobicContact CH2-CB 3.88Å; W318-R348 HydrophobicContact CH2-CG 4.08Å; W318-R348 HydrophobicContact CZ3-CB 4.05Å; W318-R348 HydrophobicContact CZ3-CG 3.71Å; D320-R348 IonicContact OD1-CZ 3.75Å; D320-R348 IonicContact OD1-NH1 2.79Å; D320-R348 PolarHBondContact OD1-NH1 3.11Å; D320-R348 IonicContact OD1-NH2 2.93Å; D320-R348 PolarHBondContact OD1-NH2 3.36Å; D320-R348 IonicContact OD2-CZ 2.64Å; D320-R348 IonicContact OD2-NH1 3.77Å; D320-R348 IonicContact OD2-NH2 3.07Å; D320-R348 PolarHBondContact OD2-NH2 3.26Å; Q344-R348 PolarHBondContact O-N 3.49Å; H345-R348 PolarHBondContact O-N 2.91Å; R348-Q352 PolarHBondContact O-N 3.09Å; R348-C353 HydrophobicContact CG-CB 4.06Å; R348-C353 PolarHBondContact O-N 3.05Å; R348-K354 PolarHBondContact NH2-O 2.97Å
349K97.6Very high97.5Very high154 Ų15466.6 Ų66.667%0.6733%0.325SS*.Hα-helixtrans-64.5-47.8175.6-72.3174.4-175.6178.30112.1H345 N346 L347 L351 Q352H345-K349 WeakPolarHBondContact O-CG 3.37Å; H345-K349 PolarHBondContact O-N 2.84Å; N346-K349 PolarHBondContact O-N 2.91Å; L347-K349 VanDerWaalsContact C-N 3.33Å; L347-K349 PolarHBondContact O-N 2.81Å; K349-L351 VanDerWaalsContact C-N 3.28Å; K349-L351 PolarHBondContact O-N 2.76Å; K349-Q352 PolarHBondContact O-N 2.97Å
350R97.8Very high97.5Very high175 Ų17565.8 Ų65.866%0.6631%0.314SS*.Hα-helixtrans-59.6-39.4179.9-177.9-17669-175.73.8112.1N346 L347 Q352N346-R350 VanDerWaalsContact O-CB 3.31Å; N346-R350 WeakPolarHBondContact O-CB 3.43Å; N346-R350 PolarHBondContact O-N 2.95Å; L347-R350 PolarHBondContact O-N 3.11Å; R350-Q352 PolarHBondContact O-N 3.04Å
351L98.1Very high97.4Very high41 Ų4164.2 Ų64.222%0.21531%0.308CS..THydrogen-bonded Turntrans-78-4.2178.1-69.2176.4000113.6L251 C275 L347 K349 C353L251-L351 HydrophobicContact CD2-CD1 4.22Å; C275-L351 HydrophobicContact CB-CB 4.4Å; C275-L351 HydrophobicContact CB-CD1 4.48Å; L347-L351 HydrophobicContact CD1-CD1 3.7Å; L347-L351 HydrophobicContact CD1-CG 4.11Å; L347-L351 HydrophobicContact CG-CD1 4.05Å; L347-L351 WeakPolarHBondContact O-CB 3.5Å; L347-L351 WeakPolarHBondContact O-CG 3.22Å; L347-L351 PolarHBondContact O-N 2.83Å; K349-L351 VanDerWaalsContact C-N 3.28Å; K349-L351 PolarHBondContact O-N 2.76Å; L351-C353 WeakPolarHBondContact CB-SG 3.33Å; L351-C353 PolarHBondContact O-N 3.34Å
352Q97.7Very high97.4Very high179 Ų17968.7 Ų68.784%0.83633%0.329SS*.THydrogen-bonded Turntrans51.641.1-178.9-57.7-178.8-54.300112.5R348 K349 R350R348-Q352 PolarHBondContact O-N 3.09Å; K349-Q352 PolarHBondContact O-N 2.97Å; R350-Q352 PolarHBondContact O-N 3.04Å
353C98.4Very high97.4Very high20 Ų2066.2 Ų66.214%0.13531%0.311CS..PPolyproline II helixtrans-67.1147-175.9-49.10000111.4M274 C275 R348 L351M274-C353 HydrophobicContact CB-CB 4.17Å; M274-C353 CarbonylContact O-C 3.45Å; M274-C353 VanDerWaalsContact O-CA 3.24Å; M274-C353 WeakPolarHBondContact O-CA 3.05Å; M274-C353 WeakPolarHBondContact O-CB 3.43Å; C275-C353 HydrophobicContact CB-CB 4.09Å; C275-C353 WeakPolarHBondContact CB-SG 3.4Å; C275-C353 WeakPolarHBondContact SG-CB 3.38Å; C275-C353 CovalentContact SG-SG 2.04Å; C275-C353 PolarHBondContact SG-SG 3.47Å; R348-C353 HydrophobicContact CG-CB 4.06Å; R348-C353 PolarHBondContact O-N 3.05Å; L351-C353 WeakPolarHBondContact CB-SG 3.33Å; L351-C353 PolarHBondContact O-N 3.34Å
354K98.4Very high97.4Very high100 Ų10059.8 Ų59.844%0.43528%0.281SS..PPolyproline II helixtrans-64.2167.7174.6-58.3179.5-174-75.40111.1M274 R348 W358M274-K354 WeakPolarHBondContact CE-O 3.28Å; M274-K354 PolarHBondContact O-N 3.48Å; R348-K354 PolarHBondContact NH2-O 2.97Å; K354-W358 HydrophobicContact CB-CB 4.18Å; K354-W358 HydrophobicContact CB-CD2 3.93Å; K354-W358 HydrophobicContact CB-CE3 3.86Å; K354-W358 HydrophobicContact CB-CG 4.05Å; K354-W358 HydrophobicContact CD-CD2 3.25Å; K354-W358 HydrophobicContact CD-CE3 3.56Å; K354-W358 HydrophobicContact CD-CG 3.8Å; K354-W358 HydrophobicContact CD-CH2 3.89Å; K354-W358 HydrophobicContact CD-CZ2 3.59Å; K354-W358 HydrophobicContact CD-CZ3 3.87Å; K354-W358 HydrophobicContact CG-CD2 4.22Å; K354-W358 HydrophobicContact CG-CE3 4.35Å; K354-W358 HydrophobicContact CG-CG 4.49Å
355S97.4Very high97.2Very high51 Ų5164.8 Ų64.836%0.35730%0.303SS..PPolyproline II helixtrans-74.7159.9176.862.30000112D320 K357 W358 F359D320-S355 WeakPolarHBondContact OD2-CA 3.27Å; S355-K357 PolarHBondContact O-N 3.29Å; S355-W358 WeakPolarHBondContact O-CB 3.35Å; S355-W358 PolarHBondContact O-N 3.32Å; S355-W358 PolarHBondContact OG-N 3.28Å; S355-F359 PolarHBondContact O-N 3.39Å
356F97.4Very high97.1Very high0 Ų063.6 Ų63.60%030%0.298CS..Hα-helixtrans-65.8-31.8172.5-162.5-104.8000111.7F208 F270 M274 W318 M319 D320 Y322 W358 F359 M360F208-F356 HydrophobicContact CE2-CZ 4.48Å; F208-F356 HydrophobicContact CZ-CE1 4.39Å; F208-F356 AromaticContact CZ-CZ 3.74Å; F208-F356 HydrophobicContact CZ-CZ 3.74Å; F270-F356 AromaticContact CD1-CE2 3.82Å; F270-F356 HydrophobicContact CD1-CE2 3.82Å; F270-F356 AromaticContact CD2-CE2 3.95Å; F270-F356 HydrophobicContact CD2-CE2 3.95Å; F270-F356 AromaticContact CE1-CE2 3.64Å; F270-F356 HydrophobicContact CE1-CE2 3.64Å; F270-F356 HydrophobicContact CE1-CZ 4.07Å; F270-F356 AromaticContact CE2-CE2 3.75Å; F270-F356 HydrophobicContact CE2-CE2 3.75Å; F270-F356 HydrophobicContact CE2-CZ 4.27Å; F270-F356 AromaticContact CG-CE2 3.99Å; F270-F356 HydrophobicContact CG-CE2 3.99Å; F270-F356 AromaticContact CZ-CE2 3.6Å; F270-F356 HydrophobicContact CZ-CE2 3.6Å; F270-F356 AromaticContact CZ-CZ 3.85Å; F270-F356 HydrophobicContact CZ-CZ 3.85Å; M274-F356 HydrophobicContact CE-CB 4.39Å; M274-F356 HydrophobicContact SD-CD2 4.01Å; W318-F356 WeakPolarHBondContact O-CB 3.29Å; W318-F356 WeakPolarHBondContact O-CD2 3.27Å; M319-F356 HydrophobicContact CB-CD1 4.28Å; M319-F356 HydrophobicContact CB-CD2 4.4Å; M319-F356 HydrophobicContact CB-CE1 4.36Å; M319-F356 HydrophobicContact CB-CE2 4.48Å; M319-F356 HydrophobicContact CB-CG 4.28Å; M319-F356 HydrophobicContact CB-CZ 4.45Å; M319-F356 HydrophobicContact CE-CE1 3.79Å; M319-F356 HydrophobicContact CE-CZ 3.8Å; M319-F356 HydrophobicContact CG-CD2 4.24Å; M319-F356 HydrophobicContact CG-CE1 4.23Å; M319-F356 HydrophobicContact CG-CE2 3.89Å; M319-F356 HydrophobicContact CG-CZ 3.87Å; D320-F356 HydrophobicContact CB-CB 4.27Å; D320-F356 PolarHBondContact OD2-N 3.12Å; Y322-F356 HydrophobicContact CD1-CD1 4.43Å; Y322-F356 HydrophobicContact CD2-CB 4.44Å; Y322-F356 AromaticContact CD2-CD1 3.67Å; Y322-F356 HydrophobicContact CD2-CD1 3.67Å; Y322-F356 HydrophobicContact CE2-CD1 4.43Å; Y322-F356 AromaticContact CG-CD1 3.66Å; Y322-F356 HydrophobicContact CG-CD1 3.66Å; Y322-F356 HydrophobicContact CG-CE1 4.08Å; F356-W358 VanDerWaalsContact C-N 3.27Å; F356-W358 PolarHBondContact O-N 3.16Å; F356-F359 HydrophobicContact CD2-CD1 4.2Å; F356-F359 AromaticContact CE2-CD1 3.77Å; F356-F359 HydrophobicContact CE2-CD1 3.77Å; F356-F359 HydrophobicContact CE2-CE1 4.2Å; F356-F359 HydrophobicContact CZ-CD1 4Å; F356-F359 HydrophobicContact CZ-CE1 4.26Å; F356-F359 WeakPolarHBondContact O-CB 3.48Å; F356-F359 PolarHBondContact O-N 3.06Å; F356-F359 VanDerWaalsContact O-N 3.1Å; F356-M360 HydrophobicContact CD1-CG 3.74Å; F356-M360 HydrophobicContact CD1-SD 4.38Å; F356-M360 HydrophobicContact CE1-CG 3.6Å; F356-M360 HydrophobicContact CE1-SD 3.64Å; F356-M360 HydrophobicContact CZ-CG 4.41Å; F356-M360 HydrophobicContact CZ-SD 4.02Å; F356-M360 WeakPolarHBondContact O-CG 3.49Å; F356-M360 PolarHBondContact O-N 2.92Å
357K93.8Very high97Very high54 Ų5459 Ų5924%0.23527%0.274CS..Hα-helixtrans-54.9-43.4170.8-176.2172.5-178.9174.80112.1Y322 S355 M360 T361Y322-K357 HydrophobicContact CE2-CB 3.9Å; Y322-K357 HydrophobicContact CE2-CG 4.43Å; S355-K357 PolarHBondContact O-N 3.29Å; K357-M360 PolarHBondContact O-N 3.15Å; K357-T361 WeakPolarHBondContact O-CB 3.41Å; K357-T361 PolarHBondContact O-N 3.38Å; K357-T361 PolarHBondContact O-OG1 3.08Å
358W97.5Very high96.6Very high70 Ų7061.2 Ų61.227%0.26529%0.288SS..Hα-helixtrans-62.3-45.4175174.989.8000111.1W273 K354 S355 F356 M360 T361 E362 V363W273-W358 HydrophobicContact CB-CZ3 4.44Å; W273-W358 WeakPolarHBondContact O-CZ3 3.44Å; K354-W358 HydrophobicContact CB-CB 4.18Å; K354-W358 HydrophobicContact CB-CD2 3.93Å; K354-W358 HydrophobicContact CB-CE3 3.86Å; K354-W358 HydrophobicContact CB-CG 4.05Å; K354-W358 HydrophobicContact CD-CD2 3.25Å; K354-W358 HydrophobicContact CD-CE3 3.56Å; K354-W358 HydrophobicContact CD-CG 3.8Å; K354-W358 HydrophobicContact CD-CH2 3.89Å; K354-W358 HydrophobicContact CD-CZ2 3.59Å; K354-W358 HydrophobicContact CD-CZ3 3.87Å; K354-W358 HydrophobicContact CG-CD2 4.22Å; K354-W358 HydrophobicContact CG-CE3 4.35Å; K354-W358 HydrophobicContact CG-CG 4.49Å; S355-W358 WeakPolarHBondContact O-CB 3.35Å; S355-W358 PolarHBondContact O-N 3.32Å; S355-W358 PolarHBondContact OG-N 3.28Å; F356-W358 VanDerWaalsContact C-N 3.27Å; F356-W358 PolarHBondContact O-N 3.16Å; W358-M360 VanDerWaalsContact C-N 3.32Å; W358-M360 PolarHBondContact O-N 3.25Å; W358-T361 PolarHBondContact O-N 3.49Å; W358-T361 VanDerWaalsContact O-N 3.07Å; W358-E362 HydrophobicContact CD2-CB 4.41Å; W358-E362 HydrophobicContact CD2-CG 4.15Å; W358-E362 HydrophobicContact CG-CG 4.14Å; W358-E362 HydrophobicContact CZ2-CB 4.04Å; W358-E362 HydrophobicContact CZ2-CG 4.14Å; W358-E362 VanDerWaalsContact NE1-CG 3.28Å; W358-E362 PolarHBondContact O-N 3Å; W358-V363 HydrophobicContact CH2-CG2 4.03Å; W358-V363 HydrophobicContact CZ3-CG2 3.96Å
359F98.5Very high96.2Very high0 Ų068.5 Ų68.50%032%0.321CS..Iπ-helixtrans-57.5-45.9175.6170.5-94.4000111.5F208 P234 V235 F270 W273 M274 S355 F356 T361 V363 A364F208-F359 HydrophobicContact CE1-CE1 4.07Å; P234-F359 HydrophobicContact CB-CE2 4.41Å; P234-F359 HydrophobicContact CB-CZ 3.96Å; V235-F359 HydrophobicContact CG2-CZ 4.44Å; F270-F359 HydrophobicContact CD1-CD1 4.44Å; F270-F359 HydrophobicContact CD1-CE1 4.03Å; F270-F359 HydrophobicContact CD1-CE2 4.23Å; F270-F359 AromaticContact CD1-CZ 3.91Å; F270-F359 HydrophobicContact CD1-CZ 3.91Å; F270-F359 HydrophobicContact CE1-CD1 4.43Å; F270-F359 AromaticContact CE1-CE1 3.74Å; F270-F359 HydrophobicContact CE1-CE1 3.74Å; F270-F359 AromaticContact CE1-CZ 3.84Å; F270-F359 HydrophobicContact CE1-CZ 3.84Å; W273-F359 HydrophobicContact CB-CD2 3.76Å; W273-F359 HydrophobicContact CB-CE2 4.07Å; W273-F359 AromaticContact CD1-CE2 3.7Å; W273-F359 HydrophobicContact CG-CD2 4.14Å; W273-F359 HydrophobicContact CG-CE2 4.02Å; M274-F359 HydrophobicContact CG-CB 4.02Å; M274-F359 HydrophobicContact SD-CB 4.42Å; S355-F359 PolarHBondContact O-N 3.39Å; F356-F359 HydrophobicContact CD2-CD1 4.2Å; F356-F359 AromaticContact CE2-CD1 3.77Å; F356-F359 HydrophobicContact CE2-CD1 3.77Å; F356-F359 HydrophobicContact CE2-CE1 4.2Å; F356-F359 HydrophobicContact CZ-CD1 4Å; F356-F359 HydrophobicContact CZ-CE1 4.26Å; F356-F359 WeakPolarHBondContact O-CB 3.48Å; F356-F359 PolarHBondContact O-N 3.06Å; F356-F359 VanDerWaalsContact O-N 3.1Å; F359-T361 VanDerWaalsContact C-N 3.25Å; F359-T361 PolarHBondContact O-N 3.1Å; F359-V363 HydrophobicContact CD2-CB 3.8Å; F359-V363 HydrophobicContact CD2-CG1 4.07Å; F359-V363 HydrophobicContact CD2-CG2 4.04Å; F359-V363 HydrophobicContact CE2-CB 3.94Å; F359-V363 HydrophobicContact CE2-CG1 3.71Å; F359-V363 HydrophobicContact CG-CB 4.48Å; F359-V363 HydrophobicContact CZ-CG1 4.44Å; F359-V363 WeakPolarHBondContact O-CA 3.36Å; F359-V363 WeakPolarHBondContact O-CB 2.8Å; F359-V363 PolarHBondContact O-N 2.78Å; F359-A364 HydrophobicContact CD1-CB 4.32Å; F359-A364 HydrophobicContact CE1-CB 3.78Å; F359-A364 HydrophobicContact CZ-CB 4.12Å; F359-A364 PolarHBondContact O-N 2.69Å
360M95.6Very high95.9Very high10 Ų1063.6 Ų63.65%0.04931%0.309CS..Iπ-helixtrans-65.4-26.9177.3-67.6-54.5-55.800113.5F208 W210 Y322 F356 K357 W358 A364 F365 L367 T368F208-M360 HydrophobicContact CZ-SD 4.15Å; W210-M360 HydrophobicContact CH2-CE 4.29Å; W210-M360 HydrophobicContact CZ2-CE 4.41Å; Y322-M360 HydrophobicContact CD1-CG 4.36Å; Y322-M360 HydrophobicContact CE1-CG 4.09Å; F356-M360 HydrophobicContact CD1-CG 3.74Å; F356-M360 HydrophobicContact CD1-SD 4.38Å; F356-M360 HydrophobicContact CE1-CG 3.6Å; F356-M360 HydrophobicContact CE1-SD 3.64Å; F356-M360 HydrophobicContact CZ-CG 4.41Å; F356-M360 HydrophobicContact CZ-SD 4.02Å; F356-M360 WeakPolarHBondContact O-CG 3.49Å; F356-M360 PolarHBondContact O-N 2.92Å; K357-M360 PolarHBondContact O-N 3.15Å; W358-M360 VanDerWaalsContact C-N 3.32Å; W358-M360 PolarHBondContact O-N 3.25Å; M360-A364 HydrophobicContact CE-CB 4.27Å; M360-A364 CarbonylContact O-C 3.51Å; M360-A364 VanDerWaalsContact O-C 3.23Å; M360-A364 HydrophobicContact SD-CB 4.13Å; M360-F365 WeakPolarHBondContact O-CA 3.2Å; M360-F365 PolarHBondContact O-N 3Å; M360-L367 HydrophobicContact CE-CB 4.05Å; M360-L367 HydrophobicContact CE-CD1 4.3Å; M360-L367 HydrophobicContact CE-CD2 4.05Å; M360-L367 HydrophobicContact CE-CG 4.35Å; M360-T368 HydrophobicContact CE-CG2 3.74Å
361T94.2Very high95.7Very high74 Ų7458.2 Ų58.245%0.45429%0.289SS..Iπ-helixtrans-90.8-38.2-176.8-57.30000112.6K357 W358 F359 F365K357-T361 WeakPolarHBondContact O-CB 3.41Å; K357-T361 PolarHBondContact O-N 3.38Å; K357-T361 PolarHBondContact O-OG1 3.08Å; W358-T361 PolarHBondContact O-N 3.49Å; W358-T361 VanDerWaalsContact O-N 3.07Å; F359-T361 VanDerWaalsContact C-N 3.25Å; F359-T361 PolarHBondContact O-N 3.1Å; T361-F365 VanDerWaalsContact O-CB 3.31Å; T361-F365 WeakPolarHBondContact O-CB 3.18Å
362E96.7Very high95.2Very high115 Ų11560.5 Ų60.554%0.53731%0.306SS..Iπ-helixtrans-100.7-32.3-173.7-57.7-56.4145.500113W358W358-E362 HydrophobicContact CD2-CB 4.41Å; W358-E362 HydrophobicContact CD2-CG 4.15Å; W358-E362 HydrophobicContact CG-CG 4.14Å; W358-E362 HydrophobicContact CZ2-CB 4.04Å; W358-E362 HydrophobicContact CZ2-CG 4.14Å; W358-E362 VanDerWaalsContact NE1-CG 3.28Å; W358-E362 PolarHBondContact O-N 3Å
363V98.1Very high94.6Very high10 Ų1053.7 Ų53.76%0.06128%0.278CS..Iπ-helixtrans-106.1-49.3-173-175.40000111P234 W273 W358 F359P234-V363 HydrophobicContact CB-CG1 3.97Å; P234-V363 HydrophobicContact CG-CG1 4.19Å; W273-V363 HydrophobicContact CB-CG2 4.26Å; W273-V363 HydrophobicContact CD2-CB 4.36Å; W273-V363 HydrophobicContact CD2-CG1 3.66Å; W273-V363 HydrophobicContact CD2-CG2 3.72Å; W273-V363 VanDerWaalsContact CE2-CG1 3.49Å; W273-V363 HydrophobicContact CE3-CG1 4.25Å; W273-V363 HydrophobicContact CE3-CG2 3.63Å; W273-V363 HydrophobicContact CG-CG1 3.9Å; W273-V363 HydrophobicContact CG-CG2 4.03Å; W273-V363 HydrophobicContact CH2-CG1 4.5Å; W273-V363 HydrophobicContact CZ2-CG1 3.96Å; W273-V363 HydrophobicContact CZ3-CG2 4.2Å; W358-V363 HydrophobicContact CH2-CG2 4.03Å; W358-V363 HydrophobicContact CZ3-CG2 3.96Å; F359-V363 HydrophobicContact CD2-CB 3.8Å; F359-V363 HydrophobicContact CD2-CG1 4.07Å; F359-V363 HydrophobicContact CD2-CG2 4.04Å; F359-V363 HydrophobicContact CE2-CB 3.94Å; F359-V363 HydrophobicContact CE2-CG1 3.71Å; F359-V363 HydrophobicContact CG-CB 4.48Å; F359-V363 HydrophobicContact CZ-CG1 4.44Å; F359-V363 WeakPolarHBondContact O-CA 3.36Å; F359-V363 WeakPolarHBondContact O-CB 2.8Å; F359-V363 PolarHBondContact O-N 2.78Å
364A97.2Very high93.7Very high0 Ų055 Ų550%029%0.285CS..SBendtrans-108.835.6-175.600000112.8P234 F359 M360 D366 L367P234-A364 HydrophobicContact CB-CB 4.19Å; P234-A364 HydrophobicContact CG-CB 4.42Å; F359-A364 HydrophobicContact CD1-CB 4.32Å; F359-A364 HydrophobicContact CE1-CB 3.78Å; F359-A364 HydrophobicContact CZ-CB 4.12Å; F359-A364 PolarHBondContact O-N 2.69Å; M360-A364 HydrophobicContact CE-CB 4.27Å; M360-A364 CarbonylContact O-C 3.51Å; M360-A364 VanDerWaalsContact O-C 3.23Å; M360-A364 HydrophobicContact SD-CB 4.13Å; A364-D366 PolarHBondContact O-N 2.84Å; A364-D366 VanDerWaalsContact O-N 3.12Å; A364-L367 HydrophobicContact CB-CB 4.02Å; A364-L367 HydrophobicContact CB-CD1 4.09Å; A364-L367 WeakPolarHBondContact O-CB 3.27Å; A364-L367 PolarHBondContact O-N 3.12Å
365F95Very high92.7Very high110 Ų11057.9 Ų57.948%0.48230%0.3SS..THydrogen-bonded Turntrans-56.9-28.3-172.165.3-94.5000114.9L220 M360 T361L220-F365 HydrophobicContact CD2-CE1 4.35Å; L220-F365 HydrophobicContact CD2-CZ 3.72Å; M360-F365 WeakPolarHBondContact O-CA 3.2Å; M360-F365 PolarHBondContact O-N 3Å; T361-F365 VanDerWaalsContact O-CB 3.31Å; T361-F365 WeakPolarHBondContact O-CB 3.18Å
366D95.2Very high91.8Very high29 Ų2958.7 Ų58.716%0.15530%0.299CS..THydrogen-bonded Turntrans-101.9-0.9-179.664.8-35.4000113.7R205 A364 T368 K369 A370R205-D366 IonicContact CZ-OD1 3.85Å; R205-D366 IonicContact CZ-OD2 2.89Å; R205-D366 IonicContact NH1-OD1 2.91Å; R205-D366 IonicContact NH2-OD1 3.62Å; R205-D366 PolarHBondContact NH2-OD1 2.95Å; R205-D366 IonicContact NH2-OD2 3.68Å; R205-D366 PolarHBondContact NH2-OD2 3.27Å; A364-D366 PolarHBondContact O-N 2.84Å; A364-D366 VanDerWaalsContact O-N 3.12Å; D366-T368 PolarHBondContact O-N 3.2Å; D366-K369 WeakPolarHBondContact O-CB 3.21Å; D366-K369 PolarHBondContact O-N 3.44Å; D366-A370 PolarHBondContact O-N 3.19Å; D366-A370 VanDerWaalsContact O-N 3.17Å
367L96Very high90.9Very high0 Ų058.7 Ų58.70%030%0.299CS..Hα-helixtrans-60-47.8180-174.3159000111.2A207 F208 W210 L217 M360 A364 K369 A370 Y371A207-L367 HydrophobicContact CB-CD1 4.22Å; F208-L367 HydrophobicContact CD1-CD1 3.79Å; F208-L367 HydrophobicContact CE1-CD1 3.5Å; F208-L367 HydrophobicContact CE2-CD1 4.31Å; F208-L367 HydrophobicContact CG-CD1 4.3Å; F208-L367 HydrophobicContact CZ-CD1 3.76Å; W210-L367 HydrophobicContact CZ2-CD2 4.25Å; L217-L367 HydrophobicContact CD1-CB 4.35Å; M360-L367 HydrophobicContact CE-CB 4.05Å; M360-L367 HydrophobicContact CE-CD1 4.3Å; M360-L367 HydrophobicContact CE-CD2 4.05Å; M360-L367 HydrophobicContact CE-CG 4.35Å; A364-L367 HydrophobicContact CB-CB 4.02Å; A364-L367 HydrophobicContact CB-CD1 4.09Å; A364-L367 WeakPolarHBondContact O-CB 3.27Å; A364-L367 PolarHBondContact O-N 3.12Å; L367-K369 PolarHBondContact O-N 3.21Å; L367-A370 PolarHBondContact O-N 3.17Å; L367-Y371 CarbonylContact O-C 3.45Å; L367-Y371 WeakPolarHBondContact O-CA 3.46Å; L367-Y371 PolarHBondContact O-N 3.2Å
368T90.4Very high90.5Very high62 Ų6257.8 Ų57.838%0.3830%0.296SS..Hα-helixtrans-69.4-18-177.365.60000113.1W210 M360 D366 P372W210-T368 HydrophobicContact CZ2-CG2 3.84Å; M360-T368 HydrophobicContact CE-CG2 3.74Å; D366-T368 PolarHBondContact O-N 3.2Å; T368-P372 VanDerWaalsContact O-CA 3.23Å; T368-P372 WeakPolarHBondContact O-CA 3.31Å
369K88.9Confident90.1Very high185 Ų18554.7 Ų54.780%0.80429%0.285SS*.Hα-helixtrans-78.3-42.7173.5-176.6-177176.6-175.70110.9D366 L367D366-K369 WeakPolarHBondContact O-CB 3.21Å; D366-K369 PolarHBondContact O-N 3.44Å; L367-K369 PolarHBondContact O-N 3.21Å
370A92Very high89.8Confident51 Ų5154.7 Ų54.742%0.42129%0.285SS..Hα-helixtrans-79-37.6179.300000112.9L217 D366 L367L217-A370 HydrophobicContact CD2-CB 3.44Å; L217-A370 VanDerWaalsContact CD2-CB 3.44Å; D366-A370 PolarHBondContact O-N 3.19Å; D366-A370 VanDerWaalsContact O-N 3.17Å; L367-A370 PolarHBondContact O-N 3.17Å
371Y92.7Very high89.7Confident61 Ų6155.5 Ų55.524%0.23929%0.29CS..SBendtrans-130.278-177.6-53.3-67000108.6W210 K215 R216 L217 L367W210-Y371 PolarHBondContact NE1-O 2.84Å; K215-Y371 HydrophobicContact CB-CD2 4.06Å; K215-Y371 HydrophobicContact CB-CE1 4.09Å; K215-Y371 HydrophobicContact CB-CE2 3.48Å; K215-Y371 VanDerWaalsContact CB-CE2 3.48Å; K215-Y371 HydrophobicContact CD-CD1 4.29Å; K215-Y371 HydrophobicContact CD-CE1 3.81Å; K215-Y371 HydrophobicContact CG-CD1 4.1Å; K215-Y371 HydrophobicContact CG-CD2 4.27Å; K215-Y371 HydrophobicContact CG-CE1 3.87Å; K215-Y371 HydrophobicContact CG-CE2 4.03Å; K215-Y371 HydrophobicContact CG-CG 4.3Å; R216-Y371 PolarHBondContact O-OH 3.16Å; L217-Y371 HydrophobicContact CD2-CD2 4.15Å; L217-Y371 HydrophobicContact CD2-CE2 3.76Å; L217-Y371 HydrophobicContact CG-CE2 4.37Å; L367-Y371 CarbonylContact O-C 3.45Å; L367-Y371 WeakPolarHBondContact O-CA 3.46Å; L367-Y371 PolarHBondContact O-N 3.2Å
372P88Confident89.7Confident90 Ų9052.4 Ų52.458%0.58427%0.273SS*.  trans-61144-179.125.2-33.8000110.8T368T368-P372 VanDerWaalsContact O-CA 3.23Å; T368-P372 WeakPolarHBondContact O-CA 3.31Å
373P85.9Confident89.6Confident36 Ų3647.7 Ų47.723%0.23425%0.251CS..  trans-58.4160.3170.223-29.8000111.6W210 Y325W210-P373 HydrophobicContact CD2-CB 4Å; W210-P373 HydrophobicContact CG-CB 4.06Å; W210-P373 HydrophobicContact CZ2-CB 4.18Å; W210-P373 HydrophobicContact CZ2-CG 4.37Å; W210-P373 VanDerWaalsContact NE1-CA 3.28Å; Y325-P373 HydrophobicContact CD1-CB 3.37Å; Y325-P373 HydrophobicContact CD1-CG 4.34Å; Y325-P373 HydrophobicContact CD2-CB 4.17Å; Y325-P373 HydrophobicContact CE1-CB 3.32Å; Y325-P373 HydrophobicContact CE1-CG 3.82Å; Y325-P373 HydrophobicContact CE2-CB 4.12Å; Y325-P373 HydrophobicContact CE2-CG 4.31Å; Y325-P373 HydrophobicContact CG-CB 3.78Å
374P79.8Confident89.5Confident46 Ų4647.2 Ų47.230%0.29925%0.248SC..SBendtrans-56.5179.2162.229.9-37.1000110.2Y325 R328 E376Y325-P374 HydrophobicContact CD1-CG 4.23Å; R328-P374 HydrophobicContact CB-CG 3.94Å; P374-E376 PolarHBondContact O-N 2.65Å
375E77.4Confident89.5Confident161 Ų16150.5 Ų50.575%0.75226%0.26SS*.SBendtrans-34.8139.3177.1-72.1-175.8173.200113.7V377E375-V377 PolarHBondContact O-N 3.08Å
376E76.9Confident89.6Confident69 Ų6945.3 Ų45.332%0.32224%0.237SC..  trans-50.9132.6-175.7-69.5-167.1-164.300111.9P374 L378 S426 K428P374-E376 PolarHBondContact O-N 2.65Å; E376-L378 HydrophobicContact CB-CD2 4.28Å; E376-L378 PolarHBondContact O-N 2.93Å; E376-S426 WeakPolarHBondContact OE2-CB 3.48Å; E376-S426 PolarHBondContact OE2-OG 3.29Å; E376-K428 WeakPolarHBondContact OE1-CE 3.42Å; E376-K428 IonicContact OE1-NZ 2.85Å; E376-K428 PolarHBondContact OE1-NZ 2.03Å
377V79.2Confident89.7Confident0 Ų044.8 Ų44.80%024%0.235CC..  trans-76.4109.2171175.30000107.4E324 Y325 E375 S426 F427 I522E324-V377 HydrophobicContact CB-CG1 4Å; E324-V377 HydrophobicContact CB-CG2 3.85Å; E324-V377 HydrophobicContact CG-CG1 4.31Å; Y325-V377 HydrophobicContact CD1-CG2 3.59Å; Y325-V377 HydrophobicContact CE1-CB 4.29Å; Y325-V377 HydrophobicContact CE1-CG2 3.6Å; Y325-V377 HydrophobicContact CG-CG2 4.28Å; E375-V377 PolarHBondContact O-N 3.08Å; V377-S426 WeakPolarHBondContact O-CA 3.17Å; V377-S426 WeakPolarHBondContact O-CB 3.47Å; V377-F427 HydrophobicContact CB-CD2 3.92Å; V377-F427 HydrophobicContact CB-CE2 3.37Å; V377-F427 HydrophobicContact CB-CZ 4.08Å; V377-F427 HydrophobicContact CG1-CE2 3.82Å; V377-F427 HydrophobicContact CG1-CZ 4.01Å; V377-F427 HydrophobicContact CG2-CD2 4.49Å; V377-F427 HydrophobicContact CG2-CE2 3.7Å; V377-F427 HydrophobicContact CG2-CZ 4.47Å; V377-I522 HydrophobicContact CG1-CD1 3.99Å; V377-I522 HydrophobicContact CG1-CG2 4.42Å
378L86.4Confident89.7Confident35 Ų3546 Ų4618%0.18325%0.245CC..EExtended strand (participates in β ladder)trans-89.8116.5178-55.6173.5000109.3E376 T381 E424 Y425E376-L378 HydrophobicContact CB-CD2 4.28Å; E376-L378 PolarHBondContact O-N 2.93Å; L378-T381 HydrophobicContact CB-CG2 3.59Å; L378-T381 HydrophobicContact CD1-CG2 3.57Å; L378-T381 HydrophobicContact CG-CG2 4.16Å; L378-E424 HydrophobicContact CD1-CG 3.97Å; L378-E424 HydrophobicContact CD2-CB 3.96Å; L378-E424 HydrophobicContact CD2-CG 3.98Å; L378-Y425 CarbonylContact C-O 3.03Å; L378-Y425 WeakPolarHBondContact CA-O 3.47Å
379F88.1Confident90Very high5 Ų545.3 Ų45.32%0.02224%0.237CC..EExtended strand (participates in β ladder)trans-81.1-25173.4-53-79.8000112.8Y425 S426 F427 R518 L519 I522 L523F379-Y425 HydrophobicContact CB-CD1 4.04Å; F379-Y425 AromaticContact CD2-CD1 3.75Å; F379-Y425 HydrophobicContact CD2-CD1 3.75Å; F379-Y425 AromaticContact CD2-CE1 3.92Å; F379-Y425 HydrophobicContact CD2-CE1 3.92Å; F379-Y425 HydrophobicContact CE2-CE1 4.42Å; F379-Y425 HydrophobicContact CG-CD1 4.35Å; F379-Y425 PolarHBondContact N-O 3.16Å; F379-S426 WeakPolarHBondContact CE2-O 3.4Å; F379-F427 HydrophobicContact CE1-CD1 4.21Å; F379-F427 AromaticContact CE1-CE1 3.63Å; F379-F427 HydrophobicContact CE1-CE1 3.63Å; F379-F427 HydrophobicContact CE1-CZ 4.16Å; F379-F427 AromaticContact CE2-CD1 3.7Å; F379-F427 HydrophobicContact CE2-CD1 3.7Å; F379-F427 AromaticContact CE2-CE1 3.98Å; F379-F427 HydrophobicContact CE2-CE1 3.98Å; F379-F427 HydrophobicContact CE2-CG 4.13Å; F379-F427 AromaticContact CZ-CD1 3.22Å; F379-F427 HydrophobicContact CZ-CD1 3.22Å; F379-F427 AromaticContact CZ-CE1 3.08Å; F379-F427 HydrophobicContact CZ-CE1 3.08Å; F379-F427 HydrophobicContact CZ-CG 4.03Å; F379-F427 AromaticContact CZ-CZ 3.94Å; F379-F427 HydrophobicContact CZ-CZ 3.94Å; F379-R518 WeakPolarHBondContact O-CA 3.41Å; F379-R518 PolarHBondContact O-N 2.83Å; F379-L519 HydrophobicContact CB-CD2 3.91Å; F379-L519 HydrophobicContact CD1-CD2 4.32Å; F379-L519 HydrophobicContact CG-CD2 4.26Å; F379-I522 HydrophobicContact CD1-CB 3.96Å; F379-I522 HydrophobicContact CD1-CD1 3.86Å; F379-I522 HydrophobicContact CD1-CG2 3.54Å; F379-I522 HydrophobicContact CE1-CB 4.27Å; F379-I522 HydrophobicContact CE1-CG2 3.39Å; F379-L523 HydrophobicContact CD1-CD1 4.03Å; F379-L523 HydrophobicContact CD1-CG 4.29Å; F379-L523 HydrophobicContact CE1-CD1 3.61Å; F379-L523 HydrophobicContact CE1-CD2 4.08Å; F379-L523 HydrophobicContact CE1-CG 3.82Å; F379-L523 HydrophobicContact CZ-CD1 4.13Å
380A92.9Very high90.3Very high0 Ų039.9 Ų39.90%022%0.22CC..EExtended strand (participates in β ladder)trans-144.6133.917700000110.5E424 Y425 L467 W514 D516 L517A380-E424 WeakPolarHBondContact O-CA 3.27Å; A380-Y425 PolarHBondContact N-O 3.15Å; A380-Y425 PolarHBondContact O-N 2.84Å; A380-L467 HydrophobicContact CB-CD1 4.35Å; A380-W514 HydrophobicContact CB-CB 4.34Å; A380-W514 HydrophobicContact CB-CD2 3.44Å; A380-W514 VanDerWaalsContact CB-CD2 3.44Å; A380-W514 VanDerWaalsContact CB-CE2 3.47Å; A380-W514 HydrophobicContact CB-CE3 3.97Å; A380-W514 HydrophobicContact CB-CG 3.61Å; A380-W514 HydrophobicContact CB-CH2 4.4Å; A380-W514 HydrophobicContact CB-CZ2 3.98Å; A380-W514 HydrophobicContact CB-CZ3 4.42Å; A380-D516 CarbonylContact C-O 3.52Å; A380-D516 VanDerWaalsContact CA-O 3.23Å; A380-D516 WeakPolarHBondContact CA-O 3.23Å; A380-L517 HydrophobicContact CB-CD1 3.88Å
381T93.5Very high90.4Very high27 Ų2742.1 Ų42.117%0.16622%0.219CC..EExtended strand (participates in β ladder)trans-135.5150.2178600000112.8L378 F423 E424 W514 D516L378-T381 HydrophobicContact CB-CG2 3.59Å; L378-T381 HydrophobicContact CD1-CG2 3.57Å; L378-T381 HydrophobicContact CG-CG2 4.16Å; T381-F423 CarbonylContact C-O 3.57Å; T381-F423 VanDerWaalsContact CA-O 3.28Å; T381-F423 WeakPolarHBondContact CA-O 3.37Å; T381-E424 HydrophobicContact CG2-CG 4.29Å; T381-W514 PolarHBondContact O-NE1 2.76Å; T381-D516 PolarHBondContact N-O 3.33Å; T381-D516 WeakPolarHBondContact O-CB 3.45Å; T381-D516 PolarHBondContact O-N 3.38Å; T381-D516 WeakPolarHBondContact OG1-CB 3.48Å; T381-D516 PolarHBondContact OG1-OD2 2.88Å
382G93.5Very high90.6Very high8 Ų839.4 Ų39.48%0.08221%0.208CC..EExtended strand (participates in β ladder)trans93.7-152.2175.600000113.8F423 W514G382-F423 PolarHBondContact N-O 2.77Å; G382-F423 PolarHBondContact O-N 2.88Å; G382-W514 PolarHBondContact O-NE1 3.02Å
383E94.2Very high91Very high16 Ų1635.1 Ų35.18%0.07518%0.181CC..EExtended strand (participates in β ladder)trans-74.2144.4-173.358.2175.7-131.400113.7R385 Q421 W514 R515E383-R385 IonicContact OE1-CZ 3.87Å; E383-R385 IonicContact OE1-NE 3.89Å; E383-R385 PolarHBondContact OE1-NE 2.68Å; E383-R385 IonicContact OE1-NH2 4Å; E383-R385 PolarHBondContact OE1-NH2 3.04Å; E383-R385 IonicContact OE2-NH2 4Å; E383-Q421 WeakPolarHBondContact CA-O 3.28Å; E383-W514 CarbonylContact O-C 3.51Å; E383-W514 WeakPolarHBondContact O-CA 3.35Å; E383-R515 HydrophobicContact CG-CB 3.81Å; E383-R515 HydrophobicContact CG-CG 4.46Å; E383-R515 PolarHBondContact O-N 3Å
384I97Very high91.5Very high0 Ų033.4 Ų33.40%017%0.169CC..EExtended strand (participates in β ladder)trans-104.8102171.7-50.9173.9000107.5C393 I394 F423 I431 I480 W512 W514I384-C393 VanDerWaalsContact O-CA 3.32Å; I384-C393 WeakPolarHBondContact O-CA 3.44Å; I384-I394 HydrophobicContact CB-CB 4.31Å; I384-I394 HydrophobicContact CB-CD1 3.97Å; I384-I394 HydrophobicContact CB-CG1 4.12Å; I384-I394 HydrophobicContact CD1-CD1 4.14Å; I384-I394 HydrophobicContact CG2-CD1 3.77Å; I384-I394 HydrophobicContact CG2-CG1 4.23Å; I384-I394 PolarHBondContact O-N 3.06Å; I384-F423 HydrophobicContact CD1-CB 3.78Å; I384-F423 HydrophobicContact CD1-CD1 4.26Å; I384-F423 HydrophobicContact CD1-CD2 4.09Å; I384-F423 HydrophobicContact CD1-CG 3.78Å; I384-F423 HydrophobicContact CG1-CB 4.08Å; I384-F423 HydrophobicContact CG1-CD2 4.11Å; I384-F423 HydrophobicContact CG1-CG 4.19Å; I384-I431 HydrophobicContact CD1-CG2 3.85Å; I384-I480 HydrophobicContact CG2-CD1 4.03Å; I384-W512 HydrophobicContact CG2-CB 3.93Å; I384-W512 HydrophobicContact CG2-CD2 4.22Å; I384-W512 HydrophobicContact CG2-CE3 3.89Å; I384-W512 HydrophobicContact CG2-CG 4.27Å; I384-W514 HydrophobicContact CD1-CD2 4.29Å; I384-W514 HydrophobicContact CD1-CE3 3.93Å; I384-W514 HydrophobicContact CD1-CH2 3.51Å; I384-W514 HydrophobicContact CD1-CZ2 3.85Å; I384-W514 HydrophobicContact CD1-CZ3 3.53Å; I384-W514 HydrophobicContact CG1-CD2 3.74Å; I384-W514 HydrophobicContact CG1-CE3 3.77Å; I384-W514 HydrophobicContact CG1-CG 4.44Å; I384-W514 HydrophobicContact CG1-CH2 4.03Å; I384-W514 HydrophobicContact CG1-CZ2 3.97Å; I384-W514 HydrophobicContact CG1-CZ3 3.91Å
385R96.3Very high92.2Very high70 Ų7032 Ų3226%0.26416%0.16SC..EExtended strand (participates in β ladder)trans-101138.7-172.6-178.9-179.4-72.1-155.9-0.7111.3E383 P390 W512 N513E383-R385 IonicContact OE1-CZ 3.87Å; E383-R385 IonicContact OE1-NE 3.89Å; E383-R385 PolarHBondContact OE1-NE 2.68Å; E383-R385 IonicContact OE1-NH2 4Å; E383-R385 PolarHBondContact OE1-NH2 3.04Å; E383-R385 IonicContact OE2-NH2 4Å; R385-P390 WeakPolarHBondContact CD-O 3.39Å; R385-P390 WeakPolarHBondContact CG-O 3.38Å; R385-P390 PolarHBondContact NE-O 3.2Å; R385-W512 CarbonylContact O-C 3.52Å; R385-W512 WeakPolarHBondContact O-CA 3.33Å; R385-N513 HydrophobicContact CB-CB 4.37Å; R385-N513 PolarHBondContact N-O 3.02Å; R385-N513 PolarHBondContact O-N 3.09Å
386S97.4Very high93.1Very high0 Ų024.4 Ų24.40%012%0.124CC..EExtended strand (participates in β ladder)trans-70.2137.6174.6179.40000111.9A388 F389 P390 L392 L491S386-A388 PolarHBondContact OG-N 3.48Å; S386-F389 CarbonylContact O-C 3.59Å; S386-F389 PolarHBondContact OG-N 3.33Å; S386-F389 VanDerWaalsContact OG-N 3.16Å; S386-P390 WeakPolarHBondContact O-CA 3.26Å; S386-L392 PolarHBondContact N-O 3.25Å; S386-L491 WeakPolarHBondContact OG-CD2 3.23Å
387V96.9Very high93.8Very high19 Ų1922.8 Ų22.812%0.11512%0.123CC..SBendtrans-78.3-28.9170.1174.10000112.2P477 R508 R511V387-P477 HydrophobicContact CG2-CB 3.5Å; V387-P477 HydrophobicContact CG2-CG 4.16Å; V387-R508 PolarHBondContact O-NH2 3.21Å; V387-R511 HydrophobicContact CB-CB 3.8Å; V387-R511 VanDerWaalsContact CB-O 3.29Å; V387-R511 WeakPolarHBondContact CB-O 3.38Å; V387-R511 HydrophobicContact CG1-CB 4.26Å; V387-R511 HydrophobicContact CG2-CB 3.76Å; V387-R511 VanDerWaalsContact CG2-O 3.26Å; V387-R511 WeakPolarHBondContact CG2-O 3.42Å; V387-R511 PolarHBondContact N-O 2.89Å
388A97.1Very high94.3Very high24 Ų2433 Ų3320%0.19816%0.161CC..SBendtrans-73-37.9176.500000111.9S386 R508 T509S386-A388 PolarHBondContact OG-N 3.48Å; A388-R508 HydrophobicContact CB-CB 4.09Å; A388-R508 PolarHBondContact N-O 2.91Å; A388-T509 HydrophobicContact CB-CG2 3.7Å
389F96.9Very high94.6Very high49 Ų4931.5 Ų31.522%0.21515%0.153CC..SBendtrans-131.383.5-178.6-57.1-74000109.8S386 Y391 L392 L491 L493 T509S386-F389 CarbonylContact O-C 3.59Å; S386-F389 PolarHBondContact OG-N 3.33Å; S386-F389 VanDerWaalsContact OG-N 3.16Å; F389-Y391 HydrophobicContact CB-CE1 4.19Å; F389-Y391 HydrophobicContact CB-CE2 4.46Å; F389-Y391 HydrophobicContact CD1-CE1 4.37Å; F389-Y391 WeakPolarHBondContact CD1-OH 3.23Å; F389-Y391 PolarHBondContact O-N 2.82Å; F389-L392 HydrophobicContact CB-CB 4.29Å; F389-L392 HydrophobicContact CB-CD1 3.85Å; F389-L392 HydrophobicContact CB-CG 4.11Å; F389-L392 HydrophobicContact CG-CD1 4.36Å; F389-L392 PolarHBondContact O-N 3.05Å; F389-L491 HydrophobicContact CD2-CD1 3.73Å; F389-L491 HydrophobicContact CD2-CD2 4.44Å; F389-L491 HydrophobicContact CE2-CD1 3.78Å; F389-L493 HydrophobicContact CD1-CD1 4.04Å; F389-L493 HydrophobicContact CD1-CD2 4.41Å; F389-L493 HydrophobicContact CD2-CD1 4.02Å; F389-L493 HydrophobicContact CE1-CD1 4.11Å; F389-L493 HydrophobicContact CE1-CD2 3.69Å; F389-L493 HydrophobicContact CE1-CG 4.46Å; F389-L493 HydrophobicContact CE2-CB 4.18Å; F389-L493 HydrophobicContact CE2-CD1 4.09Å; F389-L493 HydrophobicContact CE2-CD2 4.26Å; F389-L493 HydrophobicContact CE2-CG 4.4Å; F389-L493 HydrophobicContact CG-CD1 4Å; F389-L493 HydrophobicContact CZ-CB 4.32Å; F389-L493 HydrophobicContact CZ-CD1 4.15Å; F389-L493 HydrophobicContact CZ-CD2 3.62Å; F389-L493 HydrophobicContact CZ-CG 4.24Å; F389-T509 HydrophobicContact CE2-CG2 4.31Å
390P95Very high95Very high70 Ų7035.4 Ų35.446%0.45518%0.178SC..THydrogen-bonded Turntrans-62.1-12-169.1-26.236000116.3R385 S386R385-P390 WeakPolarHBondContact CD-O 3.39Å; R385-P390 WeakPolarHBondContact CG-O 3.38Å; R385-P390 PolarHBondContact NE-O 3.2Å; S386-P390 WeakPolarHBondContact O-CA 3.26Å
391Y94.1Very high95.2Very high99 Ų9941.2 Ų41.239%0.38820%0.203SC..THydrogen-bonded Turntrans-87.7-7.7174.353.4-91.7000113F389 F409 C410F389-Y391 HydrophobicContact CB-CE1 4.19Å; F389-Y391 HydrophobicContact CB-CE2 4.46Å; F389-Y391 HydrophobicContact CD1-CE1 4.37Å; F389-Y391 WeakPolarHBondContact CD1-OH 3.23Å; F389-Y391 PolarHBondContact O-N 2.82Å; Y391-F409 HydrophobicContact CD2-CD1 4.03Å; Y391-F409 AromaticContact CD2-CE1 3.68Å; Y391-F409 HydrophobicContact CD2-CE1 3.68Å; Y391-F409 HydrophobicContact CE2-CE1 4.39Å; Y391-F409 HydrophobicContact CG-CE1 4.38Å; Y391-F409 CarbonylContact O-C 3.56Å; Y391-F409 VanDerWaalsContact O-CA 3.26Å; Y391-F409 WeakPolarHBondContact O-CA 3.43Å; Y391-C410 PolarHBondContact O-N 3.19Å
392L96.4Very high95.2Very high4 Ų448.2 Ų48.22%0.02123%0.227CC..EExtended strand (participates in β ladder)trans-105.2130.4-179.8-63.7179.9000112S386 F389 L407 S408 L493 L496S386-L392 PolarHBondContact N-O 3.25Å; F389-L392 HydrophobicContact CB-CB 4.29Å; F389-L392 HydrophobicContact CB-CD1 3.85Å; F389-L392 HydrophobicContact CB-CG 4.11Å; F389-L392 HydrophobicContact CG-CD1 4.36Å; F389-L392 PolarHBondContact O-N 3.05Å; L392-L407 HydrophobicContact CB-CB 4.41Å; L392-L407 HydrophobicContact CB-CD1 4.45Å; L392-L407 HydrophobicContact CD1-CD1 4.2Å; L392-S408 WeakPolarHBondContact CA-O 3.46Å; L392-L493 HydrophobicContact CD1-CD1 3.69Å; L392-L496 HydrophobicContact CD1-CD2 3.86Å; L392-L496 HydrophobicContact CD2-CD2 4.2Å
393C95.9Very high95.4Very high0 Ų048.6 Ų48.60%023%0.228CC..EExtended strand (participates in β ladder)trans-124.2152.8176.4-74.90000110.5I384 L407 S408 C410I384-C393 VanDerWaalsContact O-CA 3.32Å; I384-C393 WeakPolarHBondContact O-CA 3.44Å; C393-L407 CarbonylContact O-C 3.56Å; C393-L407 VanDerWaalsContact O-CA 3.3Å; C393-L407 WeakPolarHBondContact O-CA 3.47Å; C393-S408 PolarHBondContact N-O 2.76Å; C393-S408 PolarHBondContact O-N 3.14Å; C393-C410 HydrophobicContact CB-CB 3.99Å; C393-C410 WeakPolarHBondContact CB-SG 3.47Å; C393-C410 PolarHBondContact N-SG 3.44Å; C393-C410 VanDerWaalsContact N-SG 3.35Å; C393-C410 WeakPolarHBondContact SG-CB 3.43Å; C393-C410 CovalentContact SG-SG 2.04Å; C393-C410 PolarHBondContact SG-SG 3.28Å
394I97.1Very high95.6Very high0 Ų050.8 Ų50.80%024%0.244CC..EExtended strand (participates in β ladder)trans-62.4135.8169-59-174000109I384 V405 L407 F423 L489 V498 W512I384-I394 HydrophobicContact CB-CB 4.31Å; I384-I394 HydrophobicContact CB-CD1 3.97Å; I384-I394 HydrophobicContact CB-CG1 4.12Å; I384-I394 HydrophobicContact CD1-CD1 4.14Å; I384-I394 HydrophobicContact CG2-CD1 3.77Å; I384-I394 HydrophobicContact CG2-CG1 4.23Å; I384-I394 PolarHBondContact O-N 3.06Å; I394-V405 HydrophobicContact CG2-CG1 3.45Å; I394-V405 VanDerWaalsContact CG2-CG1 3.45Å; I394-L407 HydrophobicContact CG1-CD2 4.11Å; I394-F423 HydrophobicContact CB-CE2 4.13Å; I394-F423 HydrophobicContact CB-CZ 4.2Å; I394-F423 HydrophobicContact CG2-CE1 4.13Å; I394-F423 HydrophobicContact CG2-CE2 4.01Å; I394-F423 HydrophobicContact CG2-CZ 3.56Å; I394-F423 WeakPolarHBondContact O-CE2 3.26Å; I394-L489 HydrophobicContact CD1-CD2 3.82Å; I394-V498 HydrophobicContact CG1-CG2 4.37Å; I394-W512 HydrophobicContact CD1-CE3 4.42Å; I394-W512 HydrophobicContact CD1-CH2 4.4Å; I394-W512 HydrophobicContact CD1-CZ3 4.16Å; I394-W512 HydrophobicContact CG1-CE3 4.43Å; I394-W512 HydrophobicContact CG1-CH2 4.32Å; I394-W512 HydrophobicContact CG1-CZ3 3.87Å
395D94.8Very high95.6Very high17 Ų1750.8 Ų50.89%0.09124%0.244CC..EExtended strand (participates in β ladder)trans-129.6129.9-170.7-168.4-75.7000112.6A397 K406 Q421D395-A397 WeakPolarHBondContact OD1-CA 3.45Å; D395-A397 WeakPolarHBondContact OD1-CB 3.48Å; D395-A397 PolarHBondContact OD1-N 3.07Å; D395-K406 PolarHBondContact N-O 3.46Å; D395-Q421 HydrophobicContact CB-CG 4.3Å; D395-Q421 WeakPolarHBondContact OD2-CG 3.4Å; D395-Q421 PolarHBondContact OD2-NE2 2.66Å
396A95.2Very high95.6Very high1 Ų152.2 Ų52.21%0.00825%0.252CS..  trans-110.115.5176.900000113.4R398 A399 M420 F423 A433 R436 F453A396-R398 PolarHBondContact O-N 3.22Å; A396-A399 HydrophobicContact CB-CB 3.83Å; A396-A399 VanDerWaalsContact O-CB 3.28Å; A396-A399 WeakPolarHBondContact O-CB 3.26Å; A396-A399 PolarHBondContact O-N 2.76Å; A396-M420 VanDerWaalsContact CB-O 3.26Å; A396-M420 WeakPolarHBondContact CB-O 3.31Å; A396-M420 PolarHBondContact N-O 2.91Å; A396-F423 HydrophobicContact CB-CZ 4.15Å; A396-A433 HydrophobicContact CB-CB 3.7Å; A396-R436 HydrophobicContact CB-CG 4.12Å; A396-R436 WeakPolarHBondContact O-CG 3.48Å; A396-R436 PolarHBondContact O-NE 3.34Å; A396-F453 HydrophobicContact CB-CE1 3.97Å; A396-F453 HydrophobicContact CB-CE2 4.33Å; A396-F453 HydrophobicContact CB-CZ 3.63Å
397A91.2Very high95.6Very high35 Ų3552.4 Ų52.429%0.28925%0.253SS..THydrogen-bonded Turntrans-61.4-34-177.400000112.1D395 M420 R436D395-A397 WeakPolarHBondContact OD1-CA 3.45Å; D395-A397 WeakPolarHBondContact OD1-CB 3.48Å; D395-A397 PolarHBondContact OD1-N 3.07Å; A397-M420 HydrophobicContact CB-CB 3.99Å; A397-M420 HydrophobicContact CB-CG 4.11Å; A397-R436 PolarHBondContact O-NH2 3.22Å
398R91.3Very high95.5Very high214 Ų21453.7 Ų53.781%0.80826%0.262SS*.THydrogen-bonded Turntrans-105.816.8174.8-59.3-175.1-174.3179.53.2113.4A396 T400A396-R398 PolarHBondContact O-N 3.22Å; R398-T400 PolarHBondContact O-N 3.31Å
399A92.8Very high95.3Very high3 Ų359.5 Ų59.53%0.02528%0.284CS..  trans-68.1118.9-176.300000111.7A396 R436 L438 F453A396-A399 HydrophobicContact CB-CB 3.83Å; A396-A399 VanDerWaalsContact O-CB 3.28Å; A396-A399 WeakPolarHBondContact O-CB 3.26Å; A396-A399 PolarHBondContact O-N 2.76Å; A399-R436 HydrophobicContact CB-CB 4.41Å; A399-R436 HydrophobicContact CB-CG 4.04Å; A399-L438 HydrophobicContact CB-CD1 4.1Å; A399-F453 HydrophobicContact CB-CB 4.21Å; A399-F453 HydrophobicContact CB-CD1 4.06Å; A399-F453 HydrophobicContact CB-CD2 3.38Å; A399-F453 HydrophobicContact CB-CE1 4.25Å; A399-F453 HydrophobicContact CB-CE2 3.59Å; A399-F453 HydrophobicContact CB-CG 3.63Å; A399-F453 HydrophobicContact CB-CZ 4.03Å
400T95.6Very high95Very high88 Ų8857.2 Ų57.254%0.5427%0.274SS..  trans-128.2167.9165.861.60000109.5R398 R402 S403R398-T400 PolarHBondContact O-N 3.31Å; T400-R402 PolarHBondContact O-N 3.18Å; T400-S403 PolarHBondContact N-OG 2.96Å; T400-S403 WeakPolarHBondContact O-CB 3.36Å; T400-S403 PolarHBondContact O-N 2.85Å; T400-S403 PolarHBondContact O-OG 2.69Å
401K96.2Very high94.4Very high122 Ų12254.6 Ų54.653%0.5326%0.257SS..THydrogen-bonded Turntrans-53.5125.2176.3179.4177-179.8-179.70110.3S403 Y454 P455K401-S403 PolarHBondContact O-N 3.33Å; K401-Y454 HydrophobicContact CD-CE2 4.22Å; K401-Y454 HydrophobicContact CG-CD2 3.99Å; K401-Y454 HydrophobicContact CG-CE2 3.92Å; K401-P455 HydrophobicContact CD-CG 4.46Å
402R95.4Very high93.1Very high173 Ų17353 Ų5365%0.65326%0.264SS*.THydrogen-bonded Turntrans66.58.2-176.7-60.4177.3175.9-176.9-0.4116T400 L452 F453 Y454T400-R402 PolarHBondContact O-N 3.18Å; R402-L452 HydrophobicContact CB-CD1 4.4Å; R402-F453 WeakPolarHBondContact CA-O 3.13Å; R402-F453 PolarHBondContact N-O 3.41Å; R402-Y454 HydrophobicContact CG-CD2 4.11Å; R402-Y454 HydrophobicContact CG-CE2 4.2Å
403S97.1Very high91.1Very high17 Ų1758.4 Ų58.412%0.11929%0.292CS..PPolyproline II helixtrans-69.8144.2170.964.70000110.8T400 K401 L452 F453T400-S403 PolarHBondContact N-OG 2.96Å; T400-S403 WeakPolarHBondContact O-CB 3.36Å; T400-S403 PolarHBondContact O-N 2.85Å; T400-S403 PolarHBondContact O-OG 2.69Å; K401-S403 PolarHBondContact O-N 3.33Å; S403-L452 CarbonylContact O-C 3.55Å; S403-L452 VanDerWaalsContact O-CA 3.29Å; S403-L452 WeakPolarHBondContact O-CA 2.97Å; S403-F453 PolarHBondContact O-N 2.74Å
404P97.2Very high89Confident61 Ų6161.7 Ų61.740%0.39632%0.315SS..BIsolated β-bridgetrans-70.1141.1177.128.6-34.3000111.4K406 L452P404-K406 PolarHBondContact O-N 3.27Å; P404-L452 HydrophobicContact CB-CD2 4.09Å
405V97.9Very high86.8Confident0 Ų072.7 Ų72.70%036%0.363CS..PPolyproline II helixtrans-69.4128.3172179.90000108.9I394 L440 V451 F453 V498I394-V405 HydrophobicContact CG2-CG1 3.45Å; I394-V405 VanDerWaalsContact CG2-CG1 3.45Å; V405-L440 HydrophobicContact CG2-CD1 4.36Å; V405-L440 HydrophobicContact CG2-CG 4.13Å; V405-V451 HydrophobicContact CB-CB 4.31Å; V405-V451 HydrophobicContact CB-CG1 4.48Å; V405-V451 WeakPolarHBondContact CB-O 3.26Å; V405-V451 HydrophobicContact CG2-CB 4.16Å; V405-V451 HydrophobicContact CG2-CG1 3.86Å; V405-V451 WeakPolarHBondContact CG2-O 2.77Å; V405-V451 PolarHBondContact N-O 3.4Å; V405-F453 HydrophobicContact CB-CE2 4.17Å; V405-F453 HydrophobicContact CB-CZ 4.43Å; V405-F453 HydrophobicContact CG1-CE2 4.33Å; V405-F453 HydrophobicContact CG1-CZ 4.19Å; V405-F453 HydrophobicContact CG2-CD1 4.27Å; V405-F453 HydrophobicContact CG2-CD2 3.86Å; V405-F453 HydrophobicContact CG2-CE1 4.15Å; V405-F453 HydrophobicContact CG2-CE2 3.75Å; V405-F453 HydrophobicContact CG2-CG 4.14Å; V405-F453 HydrophobicContact CG2-CZ 3.9Å; V405-V498 HydrophobicContact CB-CB 4.16Å; V405-V498 HydrophobicContact CG1-CB 3.91Å; V405-V498 HydrophobicContact CG1-CG1 4.45Å; V405-V498 HydrophobicContact CG1-CG2 3.9Å; V405-V498 PolarHBondContact O-N 3.42Å; V405-V498 VanDerWaalsContact O-N 3.11Å
406K97Very high84.8Confident101 Ų10174 Ų7444%0.43938%0.38SS..EExtended strand (participates in β ladder)trans-121.3162.3-176.4-68.3-169.4177.7-170.30111.5D395 P404 L496D395-K406 PolarHBondContact N-O 3.46Å; P404-K406 PolarHBondContact O-N 3.27Å; K406-L496 CarbonylContact C-O 3.58Å; K406-L496 WeakPolarHBondContact CA-O 3.45Å; K406-L496 WeakPolarHBondContact CB-O 3.22Å
407L96.7Very high82.8Confident3 Ų380.2 Ų80.22%0.01641%0.409CS..EExtended strand (participates in β ladder)trans-97.3147.3169.6-64174.9000110L392 C393 I394 L491 L496 V498 W512L392-L407 HydrophobicContact CB-CB 4.41Å; L392-L407 HydrophobicContact CB-CD1 4.45Å; L392-L407 HydrophobicContact CD1-CD1 4.2Å; C393-L407 CarbonylContact O-C 3.56Å; C393-L407 VanDerWaalsContact O-CA 3.3Å; C393-L407 WeakPolarHBondContact O-CA 3.47Å; I394-L407 HydrophobicContact CG1-CD2 4.11Å; L407-L491 HydrophobicContact CD1-CB 3.66Å; L407-L491 HydrophobicContact CD1-CD1 4.3Å; L407-L491 HydrophobicContact CD1-CD2 4.25Å; L407-L491 HydrophobicContact CD1-CG 4.28Å; L407-L496 HydrophobicContact CB-CB 4.32Å; L407-L496 PolarHBondContact N-O 3.29Å; L407-V498 HydrophobicContact CD2-CG2 3.87Å; L407-V498 HydrophobicContact CG-CG2 3.94Å; L407-W512 HydrophobicContact CD2-CH2 4.07Å; L407-W512 HydrophobicContact CD2-CZ3 4Å
408S94.6Very high81.5Confident46 Ų4681.7 Ų81.732%0.32241%0.412SS..EExtended strand (participates in β ladder)trans-145.7170.9169.9-690000109.4L392 C393 C410L392-S408 WeakPolarHBondContact CA-O 3.46Å; C393-S408 PolarHBondContact N-O 2.76Å; C393-S408 PolarHBondContact O-N 3.14Å; S408-C410 PolarHBondContact O-N 3.4Å
409F93.1Very high80.8Confident146 Ų14678.5 Ų78.564%0.6440%0.401SS*.EExtended strand (participates in β ladder)trans-57.4135.5174.1-74.1-77.9000110.6Y391 S411 Q421Y391-F409 HydrophobicContact CD2-CD1 4.03Å; Y391-F409 AromaticContact CD2-CE1 3.68Å; Y391-F409 HydrophobicContact CD2-CE1 3.68Å; Y391-F409 HydrophobicContact CE2-CE1 4.39Å; Y391-F409 HydrophobicContact CG-CE1 4.38Å; Y391-F409 CarbonylContact O-C 3.56Å; Y391-F409 VanDerWaalsContact O-CA 3.26Å; Y391-F409 WeakPolarHBondContact O-CA 3.43Å; F409-S411 PolarHBondContact O-N 2.75Å; F409-Q421 PolarHBondContact O-NE2 3.45Å
410C91.4Very high80.7Confident2 Ų280.4 Ų80.41%0.01441%0.41CS..  trans-61.2127.7179.2-63.70000110.8Y391 C393 S408 A412 I413Y391-C410 PolarHBondContact O-N 3.19Å; C393-C410 HydrophobicContact CB-CB 3.99Å; C393-C410 WeakPolarHBondContact CB-SG 3.47Å; C393-C410 PolarHBondContact N-SG 3.44Å; C393-C410 VanDerWaalsContact N-SG 3.35Å; C393-C410 WeakPolarHBondContact SG-CB 3.43Å; C393-C410 CovalentContact SG-SG 2.04Å; C393-C410 PolarHBondContact SG-SG 3.28Å; S408-C410 PolarHBondContact O-N 3.4Å; C410-A412 VanDerWaalsContact C-N 3.26Å; C410-A412 PolarHBondContact O-N 3.2Å; C410-I413 HydrophobicContact CB-CD1 4.26Å; C410-I413 VanDerWaalsContact O-CB 3.29Å; C410-I413 WeakPolarHBondContact O-CB 3.36Å; C410-I413 WeakPolarHBondContact O-CG1 3.5Å; C410-I413 PolarHBondContact O-N 3.32Å; C410-I413 VanDerWaalsContact O-N 3.09Å
411S82Confident80.6Confident15 Ų1576.4 Ų76.411%0.10539%0.385CS..G310 helixtrans-67.6-21.6-175.358.50000114F409 I413 S414 N418 Q421F409-S411 PolarHBondContact O-N 2.75Å; S411-I413 PolarHBondContact O-N 3.45Å; S411-S414 CarbonylContact O-C 3.59Å; S411-S414 PolarHBondContact O-N 2.92Å; S411-S414 PolarHBondContact O-OG 2.91Å; S411-N418 VanDerWaalsContact CB-CB 3.47Å; S411-Q421 PolarHBondContact OG-OE1 2.72Å; S411-Q421 VanDerWaalsContact OG-OE1 3.12Å
412A66.1Low80.5Confident65 Ų6572.2 Ų72.254%0.53737%0.371SS..G310 helixtrans-59.3-13.7170.100000113.5C410C410-A412 VanDerWaalsContact C-N 3.26Å; C410-A412 PolarHBondContact O-N 3.2Å
413I55.3Low80.6Confident117 Ų11764 Ų6460%0.634%0.34SS*.G310 helixtrans-82-19.2173.6-56.8168.6000111.3C410 S411C410-I413 HydrophobicContact CB-CD1 4.26Å; C410-I413 VanDerWaalsContact O-CB 3.29Å; C410-I413 WeakPolarHBondContact O-CB 3.36Å; C410-I413 WeakPolarHBondContact O-CG1 3.5Å; C410-I413 PolarHBondContact O-N 3.32Å; C410-I413 VanDerWaalsContact O-N 3.09Å; S411-I413 PolarHBondContact O-N 3.45Å
414S50.6Low80.4Confident70 Ų7065.3 Ų65.349%0.4934%0.344SS..SBendtrans-105.1137.1174.958.10000111S411 G416S411-S414 CarbonylContact O-C 3.59Å; S411-S414 PolarHBondContact O-N 2.92Å; S411-S414 PolarHBondContact O-OG 2.91Å; S414-G416 PolarHBondContact O-N 3.38Å
415K51.7Low80.3Confident230 Ų23062.7 Ų62.7100%133%0.327SS*.SBendtrans-63.111-172.4-69.9-177.4175.4179.60116.1
416G52.4Low79.9Confident44 Ų4462.9 Ų62.945%0.45433%0.328SS..SBendtrans-124.2132.1176.500000110.4S414 N418S414-G416 PolarHBondContact O-N 3.38Å; G416-N418 VanDerWaalsContact C-N 3.3Å; G416-N418 PolarHBondContact O-N 2.79Å
417H53.5Low79.1Confident132 Ų13259 Ų5961%0.61131%0.311SS*.  trans-58.193.5169.3-74.6-83.6000109.5Y419H417-Y419 VanDerWaalsContact C-N 3.34Å; H417-Y419 HydrophobicContact CB-CE1 4.35Å; H417-Y419 HydrophobicContact CB-CE2 4.13Å; H417-Y419 VanDerWaalsContact O-CD2 3.23Å; H417-Y419 WeakPolarHBondContact O-CD2 3.32Å; H417-Y419 WeakPolarHBondContact O-CE2 3.36Å; H417-Y419 PolarHBondContact O-N 2.81Å
418N63Low78.5Confident67 Ų6763.5 Ų63.536%0.35833%0.33SS..  trans-76.492.9170.6-170.40.4000108S411 G416 M420 Q421S411-N418 VanDerWaalsContact CB-CB 3.47Å; G416-N418 VanDerWaalsContact C-N 3.3Å; G416-N418 PolarHBondContact O-N 2.79Å; N418-M420 PolarHBondContact O-N 2.88Å; N418-M420 VanDerWaalsContact OD1-CB 3.26Å; N418-M420 WeakPolarHBondContact OD1-CB 3.37Å; N418-M420 WeakPolarHBondContact OD1-CG 3.48Å; N418-M420 PolarHBondContact OD1-N 2.79Å; N418-Q421 PolarHBondContact O-N 3.46Å; N418-Q421 VanDerWaalsContact O-N 3.14Å
419Y78.1Confident78.2Confident147 Ų14762.7 Ų62.758%0.57632%0.322SS*.G310 helixtrans-57.7-9.1178.4-61.6-80.6000114H417 Q421 S422 K435H417-Y419 VanDerWaalsContact C-N 3.34Å; H417-Y419 HydrophobicContact CB-CE1 4.35Å; H417-Y419 HydrophobicContact CB-CE2 4.13Å; H417-Y419 VanDerWaalsContact O-CD2 3.23Å; H417-Y419 WeakPolarHBondContact O-CD2 3.32Å; H417-Y419 WeakPolarHBondContact O-CE2 3.36Å; H417-Y419 PolarHBondContact O-N 2.81Å; Y419-Q421 VanDerWaalsContact C-N 3.26Å; Y419-Q421 PolarHBondContact O-N 3.13Å; Y419-S422 PolarHBondContact O-N 3.3Å; Y419-K435 WeakPolarHBondContact O-CB 3.32Å
420M90.1Very high78.3Confident43 Ų4356.3 Ų56.321%0.21229%0.294CS..G310 helixtrans-71.3-16175.3-61-63.5-178.400114.1A396 A397 N418 K435 R436A396-M420 VanDerWaalsContact CB-O 3.26Å; A396-M420 WeakPolarHBondContact CB-O 3.31Å; A396-M420 PolarHBondContact N-O 2.91Å; A397-M420 HydrophobicContact CB-CB 3.99Å; A397-M420 HydrophobicContact CB-CG 4.11Å; N418-M420 PolarHBondContact O-N 2.88Å; N418-M420 VanDerWaalsContact OD1-CB 3.26Å; N418-M420 WeakPolarHBondContact OD1-CB 3.37Å; N418-M420 WeakPolarHBondContact OD1-CG 3.48Å; N418-M420 PolarHBondContact OD1-N 2.79Å; M420-K435 HydrophobicContact CE-CG 4.04Å; M420-K435 HydrophobicContact SD-CB 4.16Å; M420-K435 HydrophobicContact SD-CG 3.91Å; M420-R436 HydrophobicContact SD-CG 4.19Å
421Q94Very high78.6Confident4 Ų456.2 Ų56.22%0.01929%0.294CS..G310 helixtrans-105.715.4174-65.4-175.6-12.200112.4E383 D395 F409 S411 N418 Y419 F423E383-Q421 WeakPolarHBondContact CA-O 3.28Å; D395-Q421 HydrophobicContact CB-CG 4.3Å; D395-Q421 WeakPolarHBondContact OD2-CG 3.4Å; D395-Q421 PolarHBondContact OD2-NE2 2.66Å; F409-Q421 PolarHBondContact O-NE2 3.45Å; S411-Q421 PolarHBondContact OG-OE1 2.72Å; S411-Q421 VanDerWaalsContact OG-OE1 3.12Å; N418-Q421 PolarHBondContact O-N 3.46Å; N418-Q421 VanDerWaalsContact O-N 3.14Å; Y419-Q421 VanDerWaalsContact C-N 3.26Å; Y419-Q421 PolarHBondContact O-N 3.13Å; Q421-F423 WeakPolarHBondContact O-CD2 3.46Å
422S93.8Very high79.3Confident33 Ų3358.2 Ų58.223%0.23130%0.3CS..  trans-92123.6175.5-167.10000110.1Y419 V434Y419-S422 PolarHBondContact O-N 3.3Å; S422-V434 WeakPolarHBondContact O-CG2 3.21Å; S422-V434 PolarHBondContact O-N 3.38Å
423F96.3Very high80.7Confident0 Ų055.2 Ų55.20%028%0.275CS..EExtended strand (participates in β ladder)trans-122.5152177.6-63.9-95.7000111.1T381 G382 I384 I394 A396 Q421 I431 K432 A433 L440 F453 W514T381-F423 CarbonylContact C-O 3.57Å; T381-F423 VanDerWaalsContact CA-O 3.28Å; T381-F423 WeakPolarHBondContact CA-O 3.37Å; G382-F423 PolarHBondContact N-O 2.77Å; G382-F423 PolarHBondContact O-N 2.88Å; I384-F423 HydrophobicContact CD1-CB 3.78Å; I384-F423 HydrophobicContact CD1-CD1 4.26Å; I384-F423 HydrophobicContact CD1-CD2 4.09Å; I384-F423 HydrophobicContact CD1-CG 3.78Å; I384-F423 HydrophobicContact CG1-CB 4.08Å; I384-F423 HydrophobicContact CG1-CD2 4.11Å; I384-F423 HydrophobicContact CG1-CG 4.19Å; I394-F423 HydrophobicContact CB-CE2 4.13Å; I394-F423 HydrophobicContact CB-CZ 4.2Å; I394-F423 HydrophobicContact CG2-CE1 4.13Å; I394-F423 HydrophobicContact CG2-CE2 4.01Å; I394-F423 HydrophobicContact CG2-CZ 3.56Å; I394-F423 WeakPolarHBondContact O-CE2 3.26Å; A396-F423 HydrophobicContact CB-CZ 4.15Å; Q421-F423 WeakPolarHBondContact O-CD2 3.46Å; F423-I431 HydrophobicContact CB-CG2 4.32Å; F423-I431 HydrophobicContact CD1-CG2 3.97Å; F423-I431 HydrophobicContact CG-CG2 4.49Å; F423-K432 CarbonylContact C-O 3.54Å; F423-K432 WeakPolarHBondContact CA-O 3.46Å; F423-A433 HydrophobicContact CD1-CB 4.01Å; F423-A433 HydrophobicContact CE1-CB 3.64Å; F423-A433 HydrophobicContact CZ-CB 4.31Å; F423-L440 HydrophobicContact CD1-CD1 4.29Å; F423-L440 HydrophobicContact CE1-CD1 3.91Å; F423-F453 HydrophobicContact CE1-CE1 4.1Å; F423-F453 HydrophobicContact CE1-CZ 4.43Å; F423-F453 HydrophobicContact CZ-CZ 4.48Å; F423-W514 HydrophobicContact CB-CH2 4.23Å; F423-W514 HydrophobicContact CB-CZ2 3.6Å
424E94.9Very high82.4Confident46 Ų4651.9 Ų51.922%0.21526%0.261CS..EExtended strand (participates in β ladder)trans-124.4142.7178.5-79.9169.2-177.800110.3L378 A380 T381 K432 V434L378-E424 HydrophobicContact CD1-CG 3.97Å; L378-E424 HydrophobicContact CD2-CB 3.96Å; L378-E424 HydrophobicContact CD2-CG 3.98Å; A380-E424 WeakPolarHBondContact O-CA 3.27Å; T381-E424 HydrophobicContact CG2-CG 4.29Å; E424-K432 PolarHBondContact N-O 2.8Å; E424-K432 PolarHBondContact O-N 2.75Å; E424-V434 HydrophobicContact CB-CG2 4.2Å; E424-V434 HydrophobicContact CG-CG2 3.47Å; E424-V434 VanDerWaalsContact CG-CG2 3.47Å; E424-V434 WeakPolarHBondContact OE1-CG2 3.35Å
425Y94.5Very high84.3Confident6 Ų655.2 Ų55.22%0.02427%0.266CS..EExtended strand (participates in β ladder)trans-132.4121.3171-176.3-99.7000109.3L378 F379 A380 Q429 D430 I431 W465 L467L378-Y425 CarbonylContact C-O 3.03Å; L378-Y425 WeakPolarHBondContact CA-O 3.47Å; F379-Y425 HydrophobicContact CB-CD1 4.04Å; F379-Y425 AromaticContact CD2-CD1 3.75Å; F379-Y425 HydrophobicContact CD2-CD1 3.75Å; F379-Y425 AromaticContact CD2-CE1 3.92Å; F379-Y425 HydrophobicContact CD2-CE1 3.92Å; F379-Y425 HydrophobicContact CE2-CE1 4.42Å; F379-Y425 HydrophobicContact CG-CD1 4.35Å; F379-Y425 PolarHBondContact N-O 3.16Å; A380-Y425 PolarHBondContact N-O 3.15Å; A380-Y425 PolarHBondContact O-N 2.84Å; Y425-Q429 HydrophobicContact CE2-CB 4.25Å; Y425-Q429 WeakPolarHBondContact OH-CG 3.42Å; Y425-D430 WeakPolarHBondContact CD2-O 3.12Å; Y425-I431 HydrophobicContact CD2-CG1 3.86Å; Y425-I431 HydrophobicContact CE2-CG1 4.48Å; Y425-W465 HydrophobicContact CE2-CB 4.26Å; Y425-W465 WeakPolarHBondContact CE2-O 3Å; Y425-W465 PolarHBondContact OH-O 3.25Å; Y425-L467 HydrophobicContact CD1-CD1 3.42Å; Y425-L467 VanDerWaalsContact CD1-CD1 3.42Å; Y425-L467 HydrophobicContact CD1-CG 3.99Å; Y425-L467 HydrophobicContact CD2-CD1 4.3Å; Y425-L467 HydrophobicContact CD2-CG 4.34Å; Y425-L467 HydrophobicContact CE1-CD1 3.68Å; Y425-L467 HydrophobicContact CE1-CG 3.76Å; Y425-L467 HydrophobicContact CE2-CD1 4.49Å; Y425-L467 HydrophobicContact CE2-CG 4.11Å; Y425-L467 HydrophobicContact CG-CD1 3.78Å; Y425-L467 HydrophobicContact CG-CG 4.29Å
426S88.1Confident86.2Confident3 Ų349.3 Ų49.32%0.02124%0.238CC..EExtended strand (participates in β ladder)trans-125.3-170.6-176.379.50000112.1E376 V377 F379 K428 Q429E376-S426 WeakPolarHBondContact OE2-CB 3.48Å; E376-S426 PolarHBondContact OE2-OG 3.29Å; V377-S426 WeakPolarHBondContact O-CA 3.17Å; V377-S426 WeakPolarHBondContact O-CB 3.47Å; F379-S426 WeakPolarHBondContact CE2-O 3.4Å; S426-K428 PolarHBondContact O-N 3.18Å; S426-K428 VanDerWaalsContact O-N 3.13Å; S426-K428 PolarHBondContact OG-N 3.34Å; S426-Q429 PolarHBondContact O-N 3.3Å
427F80.4Confident88.1Confident20 Ų2050.4 Ų50.49%0.08824%0.239CC..THydrogen-bonded Turntrans-60.3-17.9175.9-69.1-64.7000114.5E321 E324 Y325 V377 F379 Q429E321-F427 HydrophobicContact CB-CD1 4.43Å; E321-F427 HydrophobicContact CB-CE1 3.51Å; E321-F427 HydrophobicContact CB-CZ 4.19Å; E321-F427 HydrophobicContact CG-CD1 3.62Å; E321-F427 HydrophobicContact CG-CE1 3.15Å; E321-F427 HydrophobicContact CG-CZ 4.15Å; E321-F427 WeakPolarHBondContact O-CZ 3.47Å; E324-F427 HydrophobicContact CB-CZ 4.46Å; Y325-F427 HydrophobicContact CD2-CD2 4.31Å; Y325-F427 AromaticContact CD2-CE2 3.87Å; Y325-F427 HydrophobicContact CD2-CE2 3.87Å; Y325-F427 HydrophobicContact CE1-CD2 4.25Å; Y325-F427 HydrophobicContact CE1-CE2 4.18Å; Y325-F427 AromaticContact CE2-CD2 3.34Å; Y325-F427 HydrophobicContact CE2-CD2 3.34Å; Y325-F427 AromaticContact CE2-CE2 3.34Å; Y325-F427 HydrophobicContact CE2-CE2 3.34Å; Y325-F427 HydrophobicContact CE2-CG 4.3Å; Y325-F427 HydrophobicContact CE2-CZ 4.44Å; Y325-F427 AromaticContact CZ-CD2 3.34Å; Y325-F427 AromaticContact CZ-CE2 3.57Å; Y325-F427 VanDerWaalsContact OH-CD2 3.26Å; Y325-F427 WeakPolarHBondContact OH-CD2 3.34Å; V377-F427 HydrophobicContact CB-CD2 3.92Å; V377-F427 HydrophobicContact CB-CE2 3.37Å; V377-F427 HydrophobicContact CB-CZ 4.08Å; V377-F427 HydrophobicContact CG1-CE2 3.82Å; V377-F427 HydrophobicContact CG1-CZ 4.01Å; V377-F427 HydrophobicContact CG2-CD2 4.49Å; V377-F427 HydrophobicContact CG2-CE2 3.7Å; V377-F427 HydrophobicContact CG2-CZ 4.47Å; F379-F427 HydrophobicContact CE1-CD1 4.21Å; F379-F427 AromaticContact CE1-CE1 3.63Å; F379-F427 HydrophobicContact CE1-CE1 3.63Å; F379-F427 HydrophobicContact CE1-CZ 4.16Å; F379-F427 AromaticContact CE2-CD1 3.7Å; F379-F427 HydrophobicContact CE2-CD1 3.7Å; F379-F427 AromaticContact CE2-CE1 3.98Å; F379-F427 HydrophobicContact CE2-CE1 3.98Å; F379-F427 HydrophobicContact CE2-CG 4.13Å; F379-F427 AromaticContact CZ-CD1 3.22Å; F379-F427 HydrophobicContact CZ-CD1 3.22Å; F379-F427 AromaticContact CZ-CE1 3.08Å; F379-F427 HydrophobicContact CZ-CE1 3.08Å; F379-F427 HydrophobicContact CZ-CG 4.03Å; F379-F427 AromaticContact CZ-CZ 3.94Å; F379-F427 HydrophobicContact CZ-CZ 3.94Å; F427-Q429 PolarHBondContact O-N 3.48Å
428K84.3Confident90.2Very high97 Ų9745.1 Ų45.142%0.42222%0.215SC..THydrogen-bonded Turntrans-65-17.5170.8-69.3175.4176.1169.70112.6E376 S426 D430 N460E376-K428 WeakPolarHBondContact OE1-CE 3.42Å; E376-K428 IonicContact OE1-NZ 2.85Å; E376-K428 PolarHBondContact OE1-NZ 2.03Å; S426-K428 PolarHBondContact O-N 3.18Å; S426-K428 VanDerWaalsContact O-N 3.13Å; S426-K428 PolarHBondContact OG-N 3.34Å; K428-D430 WeakPolarHBondContact CB-OD1 3.39Å; K428-D430 PolarHBondContact O-N 3.32Å; K428-D430 VanDerWaalsContact O-N 3.16Å; K428-N460 PolarHBondContact O-OD1 2.94Å
429Q89.8Confident91.8Very high30 Ų3041.9 Ų41.914%0.1420%0.197CC..  trans56.728.8180-62.8-174-37.500112.5Y425 S426 F427 H464 W465Y425-Q429 HydrophobicContact CE2-CB 4.25Å; Y425-Q429 WeakPolarHBondContact OH-CG 3.42Å; S426-Q429 PolarHBondContact O-N 3.3Å; F427-Q429 PolarHBondContact O-N 3.48Å; Q429-H464 PolarHBondContact OE1-NE2 2.66Å; Q429-W465 WeakPolarHBondContact CB-O 3.41Å; Q429-W465 PolarHBondContact O-N 2.93Å
430D94.7Very high92.8Very high12 Ų1234.9 Ų34.96%0.06417%0.17CC..  trans-99.9157.2166.455.512.2000110.1Y425 K428 Q463Y425-D430 WeakPolarHBondContact CD2-O 3.12Å; K428-D430 WeakPolarHBondContact CB-OD1 3.39Å; K428-D430 PolarHBondContact O-N 3.32Å; K428-D430 VanDerWaalsContact O-N 3.16Å; D430-Q463 WeakPolarHBondContact CA-O 3.3Å
431I97.6Very high93.1Very high0 Ų033 Ų330%016%0.16CC..EExtended strand (participates in β ladder)trans-109.2105.2173.7-62.3171.8000107.8I384 F423 Y425 C439 L440 W465 I480 W514I384-I431 HydrophobicContact CD1-CG2 3.85Å; F423-I431 HydrophobicContact CB-CG2 4.32Å; F423-I431 HydrophobicContact CD1-CG2 3.97Å; F423-I431 HydrophobicContact CG-CG2 4.49Å; Y425-I431 HydrophobicContact CD2-CG1 3.86Å; Y425-I431 HydrophobicContact CE2-CG1 4.48Å; I431-C439 CarbonylContact O-C 3.45Å; I431-C439 VanDerWaalsContact O-CA 3.26Å; I431-C439 WeakPolarHBondContact O-CA 3.29Å; I431-L440 HydrophobicContact CB-CB 4.26Å; I431-L440 HydrophobicContact CB-CD2 4.2Å; I431-L440 HydrophobicContact CD1-CD2 4.27Å; I431-L440 HydrophobicContact CG2-CD1 4.05Å; I431-L440 HydrophobicContact CG2-CD2 3.92Å; I431-L440 HydrophobicContact CG2-CG 4.4Å; I431-L440 PolarHBondContact O-N 2.75Å; I431-W465 HydrophobicContact CD1-CB 3.97Å; I431-W465 HydrophobicContact CD1-CD2 4.16Å; I431-W465 HydrophobicContact CD1-CG 3.81Å; I431-W465 HydrophobicContact CG1-CB 4.14Å; I431-W465 HydrophobicContact CG1-CG 4.06Å; I431-I480 HydrophobicContact CD1-CD1 4.33Å; I431-I480 HydrophobicContact CD1-CG2 3.5Å; I431-W514 HydrophobicContact CB-CH2 4.42Å; I431-W514 HydrophobicContact CD1-CH2 4.43Å; I431-W514 HydrophobicContact CD1-CZ3 4.22Å; I431-W514 HydrophobicContact CG1-CH2 4.06Å; I431-W514 HydrophobicContact CG1-CZ3 4.3Å; I431-W514 HydrophobicContact CG2-CH2 3.71Å; I431-W514 HydrophobicContact CG2-CZ3 4.41Å
432K96.5Very high93.3Very high56 Ų5633 Ų3324%0.24316%0.161CC..EExtended strand (participates in β ladder)trans-101.1126.5-173.4178.5-176.1173-162.40111.3F423 E424 V434F423-K432 CarbonylContact C-O 3.54Å; F423-K432 WeakPolarHBondContact CA-O 3.46Å; E424-K432 PolarHBondContact N-O 2.8Å; E424-K432 PolarHBondContact O-N 2.75Å; K432-V434 PolarHBondContact O-N 3.41Å
433A96Very high93.3Very high2 Ų235.3 Ų35.32%0.01718%0.175CC..EExtended strand (participates in β ladder)trans-73.2111.3165.600000109.5A396 F423 K435 R436 S437 L438 F453A396-A433 HydrophobicContact CB-CB 3.7Å; F423-A433 HydrophobicContact CD1-CB 4.01Å; F423-A433 HydrophobicContact CE1-CB 3.64Å; F423-A433 HydrophobicContact CZ-CB 4.31Å; A433-K435 PolarHBondContact O-N 2.87Å; A433-R436 HydrophobicContact CB-CB 4.27Å; A433-R436 PolarHBondContact O-N 3.39Å; A433-S437 WeakPolarHBondContact O-CA 3.43Å; A433-S437 PolarHBondContact O-N 3.28Å; A433-L438 WeakPolarHBondContact CB-O 3.42Å; A433-L438 PolarHBondContact N-O 2.9Å; A433-F453 HydrophobicContact CB-CE1 4.09Å
434V90.5Very high93.3Very high48 Ų4837.8 Ų37.829%0.29119%0.188SC..THydrogen-bonded Turntrans-56.8-53.9-168179.10000111.9S422 E424 K432 R436S422-V434 WeakPolarHBondContact O-CG2 3.21Å; S422-V434 PolarHBondContact O-N 3.38Å; E424-V434 HydrophobicContact CB-CG2 4.2Å; E424-V434 HydrophobicContact CG-CG2 3.47Å; E424-V434 VanDerWaalsContact CG-CG2 3.47Å; E424-V434 WeakPolarHBondContact OE1-CG2 3.35Å; K432-V434 PolarHBondContact O-N 3.41Å; V434-R436 PolarHBondContact O-N 2.85Å
435K90Very high93.1Very high140 Ų14038.1 Ų38.161%0.60920%0.199SC*.THydrogen-bonded Turntrans-69.9-31.6-174.3-172.260176.7-1780113.5Y419 M420 A433Y419-K435 WeakPolarHBondContact O-CB 3.32Å; M420-K435 HydrophobicContact CE-CG 4.04Å; M420-K435 HydrophobicContact SD-CB 4.16Å; M420-K435 HydrophobicContact SD-CG 3.91Å; A433-K435 PolarHBondContact O-N 2.87Å
436R91Very high93.2Very high105 Ų10544.2 Ų44.240%0.39623%0.226SC..THydrogen-bonded Turntrans-92.1-18-176.6-69.6-75.3-172.9-168.40.5112.8A396 A397 A399 M420 A433 V434 L438A396-R436 HydrophobicContact CB-CG 4.12Å; A396-R436 WeakPolarHBondContact O-CG 3.48Å; A396-R436 PolarHBondContact O-NE 3.34Å; A397-R436 PolarHBondContact O-NH2 3.22Å; A399-R436 HydrophobicContact CB-CB 4.41Å; A399-R436 HydrophobicContact CB-CG 4.04Å; M420-R436 HydrophobicContact SD-CG 4.19Å; A433-R436 HydrophobicContact CB-CB 4.27Å; A433-R436 PolarHBondContact O-N 3.39Å; V434-R436 PolarHBondContact O-N 2.85Å; R436-L438 HydrophobicContact CB-CD1 4.41Å; R436-L438 HydrophobicContact CB-CG 4.36Å; R436-L438 PolarHBondContact O-N 3.25Å
437S92.7Very high93.6Very high68 Ų6847.5 Ų47.548%0.47625%0.247SC..THydrogen-bonded Turntrans5237.8-173.5-163.40000113.2A433A433-S437 WeakPolarHBondContact O-CA 3.43Å; A433-S437 PolarHBondContact O-N 3.28Å
438L97.3Very high94.4Very high20 Ų2051.5 Ų51.511%0.10527%0.269CS..EExtended strand (participates in β ladder)trans-116.1147.1174.6-63.5174.2000109A399 A433 R436 F453 Y454 P455 C456A399-L438 HydrophobicContact CB-CD1 4.1Å; A433-L438 WeakPolarHBondContact CB-O 3.42Å; A433-L438 PolarHBondContact N-O 2.9Å; R436-L438 HydrophobicContact CB-CD1 4.41Å; R436-L438 HydrophobicContact CB-CG 4.36Å; R436-L438 PolarHBondContact O-N 3.25Å; L438-F453 HydrophobicContact CB-CB 4.14Å; L438-F453 HydrophobicContact CB-CD1 4.14Å; L438-F453 HydrophobicContact CD1-CB 3.99Å; L438-Y454 CarbonylContact C-O 3.57Å; L438-Y454 WeakPolarHBondContact CA-O 3.48Å; L438-P455 HydrophobicContact CD2-CG 4.17Å; L438-C456 VanDerWaalsContact C-SG 3.52Å
439C98Very high95Very high0 Ų050.3 Ų50.30%026%0.264CS..EExtended strand (participates in β ladder)trans-104.6153.7-179.8-76.90000111.4I431 F453 Y454 C456 Q463I431-C439 CarbonylContact O-C 3.45Å; I431-C439 VanDerWaalsContact O-CA 3.26Å; I431-C439 WeakPolarHBondContact O-CA 3.29Å; C439-F453 WeakPolarHBondContact O-CA 3.37Å; C439-Y454 PolarHBondContact N-O 3.27Å; C439-Y454 PolarHBondContact O-N 2.94Å; C439-C456 HydrophobicContact CB-CB 4.02Å; C439-C456 WeakPolarHBondContact CB-SG 3.23Å; C439-C456 PolarHBondContact N-SG 2.98Å; C439-C456 WeakPolarHBondContact SG-CB 3.47Å; C439-C456 CovalentContact SG-SG 2.04Å; C439-C456 PolarHBondContact SG-SG 2.71Å; C439-Q463 HydrophobicContact CB-CG 4.44Å
440L98.2Very high95.3Very high0 Ų052 Ų520%028%0.277CS..EExtended strand (participates in β ladder)trans-69.8127.1169-87.456.4000109.4V405 F423 I431 V451 F453 W465V405-L440 HydrophobicContact CG2-CD1 4.36Å; V405-L440 HydrophobicContact CG2-CG 4.13Å; F423-L440 HydrophobicContact CD1-CD1 4.29Å; F423-L440 HydrophobicContact CE1-CD1 3.91Å; I431-L440 HydrophobicContact CB-CB 4.26Å; I431-L440 HydrophobicContact CB-CD2 4.2Å; I431-L440 HydrophobicContact CD1-CD2 4.27Å; I431-L440 HydrophobicContact CG2-CD1 4.05Å; I431-L440 HydrophobicContact CG2-CD2 3.92Å; I431-L440 HydrophobicContact CG2-CG 4.4Å; I431-L440 PolarHBondContact O-N 2.75Å; L440-V451 HydrophobicContact CB-CG1 3.86Å; L440-V451 HydrophobicContact CD2-CG1 4.36Å; L440-V451 HydrophobicContact CG-CG1 3.89Å; L440-F453 HydrophobicContact CD1-CD1 4.26Å; L440-F453 HydrophobicContact CD1-CE1 3.77Å; L440-W465 HydrophobicContact CB-CZ2 3.93Å; L440-W465 PolarHBondContact O-NE1 2.81Å
441D97.6Very high95.5Very high2 Ų251.4 Ų51.41%0.01127%0.274CS..EExtended strand (participates in β ladder)trans-133.4138.9-169.5-165.8-74.5000110.5P443 L452 N462 Q463D441-P443 WeakPolarHBondContact O-CD 3.37Å; D441-P443 WeakPolarHBondContact OD1-CD 3.44Å; D441-P443 WeakPolarHBondContact OD1-CG 3.37Å; D441-L452 PolarHBondContact N-O 3.39Å; D441-L452 PolarHBondContact O-N 2.85Å; D441-N462 CarbonylContact C-O 3.57Å; D441-N462 WeakPolarHBondContact CA-O 3.39Å; D441-N462 PolarHBondContact OD1-ND2 2.97Å; D441-N462 PolarHBondContact OD2-ND2 3.46Å; D441-Q463 HydrophobicContact CB-CG 4.13Å; D441-Q463 WeakPolarHBondContact OD2-CG 3.45Å; D441-Q463 PolarHBondContact OD2-NE2 3.16Å
442V97.4Very high95.5Very high4 Ų452.8 Ų52.82%0.02428%0.282CS..  trans-11985.6178-172.40000109.7D444 V451 N462 W465 H482 V500V442-D444 VanDerWaalsContact C-N 3.32Å; V442-D444 WeakPolarHBondContact CG1-O 3.42Å; V442-D444 PolarHBondContact O-N 3.15Å; V442-V451 HydrophobicContact CG2-CG2 4.31Å; V442-N462 PolarHBondContact N-O 2.78Å; V442-N462 WeakPolarHBondContact O-CB 3.43Å; V442-W465 HydrophobicContact CG2-CH2 3.38Å; V442-W465 HydrophobicContact CG2-CZ2 3.47Å; V442-W465 VanDerWaalsContact CG2-CZ2 3.47Å; V442-W465 HydrophobicContact CG2-CZ3 4.43Å; V442-H482 HydrophobicContact CG2-CB 4.48Å; V442-V500 HydrophobicContact CG1-CG1 4.3Å; V442-V500 HydrophobicContact CG1-CG2 3.7Å; V442-V500 HydrophobicContact CG2-CG1 3.81Å
443P94.6Very high95.6Very high82 Ų8250.2 Ų50.253%0.53227%0.271SS..SBendtrans-67-30.5-176.7-19.529.4000114.2D441 L452D441-P443 WeakPolarHBondContact O-CD 3.37Å; D441-P443 WeakPolarHBondContact OD1-CD 3.44Å; D441-P443 WeakPolarHBondContact OD1-CG 3.37Å; P443-L452 HydrophobicContact CG-CD1 3.78Å; P443-L452 HydrophobicContact CG-CG 4.27Å
444D95.2Very high95.7Very high52 Ų5253.2 Ų53.228%0.27828%0.282SS..SBendtrans-114.9109177.7-174.5-15.6000108.9V442 K446 K449V442-D444 VanDerWaalsContact C-N 3.32Å; V442-D444 WeakPolarHBondContact CG1-O 3.42Å; V442-D444 PolarHBondContact O-N 3.15Å; D444-K446 PolarHBondContact O-N 3.41Å; D444-K446 VanDerWaalsContact O-N 3.1Å; D444-K446 VanDerWaalsContact OD1-CB 3.27Å; D444-K446 WeakPolarHBondContact OD1-CB 3.45Å; D444-K446 WeakPolarHBondContact OD1-CD 3.26Å; D444-K446 VanDerWaalsContact OD1-CG 3.22Å; D444-K446 WeakPolarHBondContact OD1-CG 3.43Å; D444-K446 PolarHBondContact OD1-N 3.29Å; D444-K449 HydrophobicContact CB-CB 4.26Å; D444-K449 HydrophobicContact CB-CD 3.96Å; D444-K449 HydrophobicContact CB-CG 3.88Å; D444-K449 WeakPolarHBondContact O-CB 3.28Å; D444-K449 VanDerWaalsContact OD2-CD 3.28Å; D444-K449 WeakPolarHBondContact OD2-CD 3.29Å; D444-K449 WeakPolarHBondContact OD2-CE 3.35Å; D444-K449 IonicContact OD2-NZ 2.68Å; D444-K449 PolarHBondContact OD2-NZ 3.34Å
445A91.4Very high96Very high53 Ų5353.6 Ų53.644%0.43829%0.285SS..  trans-70.62.6-176.600000114.4L487A445-L487 VanDerWaalsContact O-CD1 3.29Å; A445-L487 WeakPolarHBondContact O-CD1 3.46Å
446K96.5Very high96.2Very high135 Ų13549 Ų4959%0.58727%0.27SS*.SBendtrans-75154.5176.9-67.2171.7-176176.60112D444 K449D444-K446 PolarHBondContact O-N 3.41Å; D444-K446 VanDerWaalsContact O-N 3.1Å; D444-K446 VanDerWaalsContact OD1-CB 3.27Å; D444-K446 WeakPolarHBondContact OD1-CB 3.45Å; D444-K446 WeakPolarHBondContact OD1-CD 3.26Å; D444-K446 VanDerWaalsContact OD1-CG 3.22Å; D444-K446 WeakPolarHBondContact OD1-CG 3.43Å; D444-K446 PolarHBondContact OD1-N 3.29Å; K446-K449 HydrophobicContact CB-CG 4.03Å; K446-K449 WeakPolarHBondContact O-CB 3.02Å; K446-K449 WeakPolarHBondContact O-CG 3.12Å
447P96.5Very high96.2Very high72 Ų7247 Ų4747%0.46827%0.265SS..THydrogen-bonded Turntrans-59.2151.8173.6-2434000113.6K449 L487P447-K449 PolarHBondContact O-N 3.26Å; P447-L487 HydrophobicContact CG-CD1 4.4Å; P447-L487 HydrophobicContact CG-CD2 4.18Å
448N96.2Very high95.8Very high104 Ų10445.9 Ų45.956%0.55626%0.264SS*.THydrogen-bonded Turntrans63.524.1178.4-52-41.4000114.5V500N448-V500 VanDerWaalsContact CA-O 3.3Å; N448-V500 WeakPolarHBondContact CA-O 3.49Å; N448-V500 PolarHBondContact N-O 2.96Å
449K97.2Very high95.2Very high72 Ų7252.3 Ų52.331%0.31329%0.294SS..EExtended strand (participates in β ladder)trans-91.7141.9177-65-70173.2152.10111.3D444 K446 P447 F499 V500D444-K449 HydrophobicContact CB-CB 4.26Å; D444-K449 HydrophobicContact CB-CD 3.96Å; D444-K449 HydrophobicContact CB-CG 3.88Å; D444-K449 WeakPolarHBondContact O-CB 3.28Å; D444-K449 VanDerWaalsContact OD2-CD 3.28Å; D444-K449 WeakPolarHBondContact OD2-CD 3.29Å; D444-K449 WeakPolarHBondContact OD2-CE 3.35Å; D444-K449 IonicContact OD2-NZ 2.68Å; D444-K449 PolarHBondContact OD2-NZ 3.34Å; K446-K449 HydrophobicContact CB-CG 4.03Å; K446-K449 WeakPolarHBondContact O-CB 3.02Å; K446-K449 WeakPolarHBondContact O-CG 3.12Å; P447-K449 PolarHBondContact O-N 3.26Å; K449-F499 CarbonylContact O-C 3.6Å; K449-F499 VanDerWaalsContact O-CA 3.28Å; K449-F499 WeakPolarHBondContact O-CA 3.05Å; K449-F499 VanDerWaalsContact O-CB 3.23Å; K449-F499 WeakPolarHBondContact O-CB 3.42Å; K449-V500 HydrophobicContact CB-CG2 4.43Å; K449-V500 PolarHBondContact O-N 2.88Å
450P97.1Very high94.7Very high64 Ų6455.2 Ų55.242%0.41631%0.309SS..EExtended strand (participates in β ladder)trans-67.3145.2-177.229.4-35.3000110.8L452P450-L452 HydrophobicContact CB-CD2 4.07Å; P450-L452 HydrophobicContact CG-CD2 4.1Å
451V98.1Very high94.4Very high0 Ų056.6 Ų56.60%032%0.324CS..PPolyproline II helixtrans-83.8134.1165.2-174.40000108V405 L440 V442 W465 L489 V498 V500V405-V451 HydrophobicContact CB-CB 4.31Å; V405-V451 HydrophobicContact CB-CG1 4.48Å; V405-V451 WeakPolarHBondContact CB-O 3.26Å; V405-V451 HydrophobicContact CG2-CB 4.16Å; V405-V451 HydrophobicContact CG2-CG1 3.86Å; V405-V451 WeakPolarHBondContact CG2-O 2.77Å; V405-V451 PolarHBondContact N-O 3.4Å; L440-V451 HydrophobicContact CB-CG1 3.86Å; L440-V451 HydrophobicContact CD2-CG1 4.36Å; L440-V451 HydrophobicContact CG-CG1 3.89Å; V442-V451 HydrophobicContact CG2-CG2 4.31Å; V451-W465 HydrophobicContact CG1-CH2 4.27Å; V451-W465 HydrophobicContact CG1-CZ2 4Å; V451-W465 HydrophobicContact CG2-CH2 4.07Å; V451-L489 HydrophobicContact CB-CD1 4.42Å; V451-L489 HydrophobicContact CG2-CD1 3.57Å; V451-V498 HydrophobicContact CG2-CG1 4.34Å; V451-V498 PolarHBondContact N-O 2.86Å; V451-V498 VanDerWaalsContact N-O 3.08Å; V451-V500 HydrophobicContact CG2-CG1 3.86Å
452L98.1Very high94.3Very high30 Ų3059.1 Ų59.116%0.15734%0.337CS..EExtended strand (participates in β ladder)trans-113.9160.9-178.7-51.3-172.6000110.8R402 S403 P404 D441 P443 P450R402-L452 HydrophobicContact CB-CD1 4.4Å; S403-L452 CarbonylContact O-C 3.55Å; S403-L452 VanDerWaalsContact O-CA 3.29Å; S403-L452 WeakPolarHBondContact O-CA 2.97Å; P404-L452 HydrophobicContact CB-CD2 4.09Å; D441-L452 PolarHBondContact N-O 3.39Å; D441-L452 PolarHBondContact O-N 2.85Å; P443-L452 HydrophobicContact CG-CD1 3.78Å; P443-L452 HydrophobicContact CG-CG 4.27Å; P450-L452 HydrophobicContact CB-CD2 4.07Å; P450-L452 HydrophobicContact CG-CD2 4.1Å
453F98.2Very high94.3Very high2 Ų259 Ų591%0.00934%0.337CS..EExtended strand (participates in β ladder)trans-86.7132.5164.7-72.4-70.7000110.6A396 A399 R402 S403 V405 F423 A433 L438 C439 L440A396-F453 HydrophobicContact CB-CE1 3.97Å; A396-F453 HydrophobicContact CB-CE2 4.33Å; A396-F453 HydrophobicContact CB-CZ 3.63Å; A399-F453 HydrophobicContact CB-CB 4.21Å; A399-F453 HydrophobicContact CB-CD1 4.06Å; A399-F453 HydrophobicContact CB-CD2 3.38Å; A399-F453 HydrophobicContact CB-CE1 4.25Å; A399-F453 HydrophobicContact CB-CE2 3.59Å; A399-F453 HydrophobicContact CB-CG 3.63Å; A399-F453 HydrophobicContact CB-CZ 4.03Å; R402-F453 WeakPolarHBondContact CA-O 3.13Å; R402-F453 PolarHBondContact N-O 3.41Å; S403-F453 PolarHBondContact O-N 2.74Å; V405-F453 HydrophobicContact CB-CE2 4.17Å; V405-F453 HydrophobicContact CB-CZ 4.43Å; V405-F453 HydrophobicContact CG1-CE2 4.33Å; V405-F453 HydrophobicContact CG1-CZ 4.19Å; V405-F453 HydrophobicContact CG2-CD1 4.27Å; V405-F453 HydrophobicContact CG2-CD2 3.86Å; V405-F453 HydrophobicContact CG2-CE1 4.15Å; V405-F453 HydrophobicContact CG2-CE2 3.75Å; V405-F453 HydrophobicContact CG2-CG 4.14Å; V405-F453 HydrophobicContact CG2-CZ 3.9Å; F423-F453 HydrophobicContact CE1-CE1 4.1Å; F423-F453 HydrophobicContact CE1-CZ 4.43Å; F423-F453 HydrophobicContact CZ-CZ 4.48Å; A433-F453 HydrophobicContact CB-CE1 4.09Å; L438-F453 HydrophobicContact CB-CB 4.14Å; L438-F453 HydrophobicContact CB-CD1 4.14Å; L438-F453 HydrophobicContact CD1-CB 3.99Å; C439-F453 WeakPolarHBondContact O-CA 3.37Å; L440-F453 HydrophobicContact CD1-CD1 4.26Å; L440-F453 HydrophobicContact CD1-CE1 3.77Å
454Y97.6Very high94.3Very high65 Ų6556.7 Ų56.726%0.25532%0.319SS..EExtended strand (participates in β ladder)trans-143.1154176.7-159-100.4000111K401 R402 L438 C439 C456K401-Y454 HydrophobicContact CD-CE2 4.22Å; K401-Y454 HydrophobicContact CG-CD2 3.99Å; K401-Y454 HydrophobicContact CG-CE2 3.92Å; R402-Y454 HydrophobicContact CG-CD2 4.11Å; R402-Y454 HydrophobicContact CG-CE2 4.2Å; L438-Y454 CarbonylContact C-O 3.57Å; L438-Y454 WeakPolarHBondContact CA-O 3.48Å; C439-Y454 PolarHBondContact N-O 3.27Å; C439-Y454 PolarHBondContact O-N 2.94Å; Y454-C456 PolarHBondContact O-N 2.99Å
455P96.9Very high94.4Very high55 Ų5554.2 Ų54.236%0.35731%0.305SS..EExtended strand (participates in β ladder)trans-51.4130.3173.2-30.436.6000112K401 L438 H457 Q463K401-P455 HydrophobicContact CD-CG 4.46Å; L438-P455 HydrophobicContact CD2-CG 4.17Å; P455-H457 PolarHBondContact O-N 3.31Å; P455-Q463 PolarHBondContact O-NE2 3.22Å
456C94.7Very high94.5Very high43 Ų4354.6 Ų54.629%0.29130%0.298SS..  trans-64.9118.4177.2-58.60000109.5L438 C439 Y454L438-C456 VanDerWaalsContact C-SG 3.52Å; C439-C456 HydrophobicContact CB-CB 4.02Å; C439-C456 WeakPolarHBondContact CB-SG 3.23Å; C439-C456 PolarHBondContact N-SG 2.98Å; C439-C456 WeakPolarHBondContact SG-CB 3.47Å; C439-C456 CovalentContact SG-SG 2.04Å; C439-C456 PolarHBondContact SG-SG 2.71Å; Y454-C456 PolarHBondContact O-N 2.99Å
457H90.8Very high94.3Very high65 Ų6548.7 Ų48.730%0.30127%0.273SS..  trans-107.4-11.8-179.252.378.8000113.5P455 Q459 N460 N462 Q463P455-H457 PolarHBondContact O-N 3.31Å; H457-Q459 HydrophobicContact CB-CG 4.47Å; H457-Q459 WeakPolarHBondContact ND1-CB 3.36Å; H457-Q459 PolarHBondContact ND1-N 2.87Å; H457-Q459 PolarHBondContact O-N 2.74Å; H457-Q459 VanDerWaalsContact O-N 3.15Å; H457-N460 PolarHBondContact CE1-O 3.3Å; H457-N462 PolarHBondContact NE2-OD1 2.81Å; H457-Q463 PolarHBondContact CD2-NE2 3.45Å; H457-Q463 PolarHBondContact CD2-OE1 2.04Å; H457-Q463 VanDerWaalsContact CD2-OE1 3.26Å; H457-Q463 WeakPolarHBondContact NE2-CG 3.39Å; H457-Q463 PolarHBondContact NE2-NE2 3.06Å; H457-Q463 PolarHBondContact NE2-OE1 2.96Å
458G83.8Confident94Very high44 Ų4450 Ų5045%0.45427%0.273SS..SBendtrans65.515176.300000114.8
459Q85Confident93.7Very high154 Ų15445.6 Ų45.672%0.7225%0.25SC*.SBendtrans-97.516.6179.8-55.7177.2-34.800112.5H457 G461H457-Q459 HydrophobicContact CB-CG 4.47Å; H457-Q459 WeakPolarHBondContact ND1-CB 3.36Å; H457-Q459 PolarHBondContact ND1-N 2.87Å; H457-Q459 PolarHBondContact O-N 2.74Å; H457-Q459 VanDerWaalsContact O-N 3.15Å; Q459-G461 PolarHBondContact O-N 3.01Å; Q459-G461 VanDerWaalsContact O-N 3.15Å
460N87.5Confident93.4Very high61 Ų6143.6 Ų43.633%0.32625%0.246SC..  trans56.7-114.6-171.1-58.7-31.9000111.1K428 H457 N462 Q463 H464K428-N460 PolarHBondContact O-OD1 2.94Å; H457-N460 PolarHBondContact CE1-O 3.3Å; N460-N462 PolarHBondContact O-N 3.45Å; N460-Q463 PolarHBondContact O-N 3.25Å; N460-H464 HydrophobicContact CB-CB 3.78Å
461G91.7Very high93Very high30 Ų3047.2 Ų47.231%0.30925%0.253SS..G310 helixtrans57.9-125.3176.900000113Q459 Q463 H464 H482 T484Q459-G461 PolarHBondContact O-N 3.01Å; Q459-G461 VanDerWaalsContact O-N 3.15Å; G461-Q463 PolarHBondContact O-N 3.48Å; G461-H464 WeakPolarHBondContact O-CB 3.41Å; G461-H464 PolarHBondContact O-N 3.25Å; G461-H482 PolarHBondContact O-NE2 2.87Å; G461-T484 PolarHBondContact O-OG1 2.99Å
462N95.8Very high92.3Very high55 Ų5558.2 Ų58.229%0.29429%0.294SS..G310 helixtrans-69.8-5.2176.255.9-34.3000114.5D441 V442 H457 N460 H482D441-N462 CarbonylContact C-O 3.57Å; D441-N462 WeakPolarHBondContact CA-O 3.39Å; D441-N462 PolarHBondContact OD1-ND2 2.97Å; D441-N462 PolarHBondContact OD2-ND2 3.46Å; V442-N462 PolarHBondContact N-O 2.78Å; V442-N462 WeakPolarHBondContact O-CB 3.43Å; H457-N462 PolarHBondContact NE2-OD1 2.81Å; N460-N462 PolarHBondContact O-N 3.45Å; N462-H482 WeakPolarHBondContact CA-NE2 3.19Å; N462-H482 PolarHBondContact O-NE2 2.89Å
463Q96.9Very high91.7Very high2 Ų259.6 Ų59.61%0.00930%0.302CS..G310 helixtrans-110.310173.5-62.8-175.8-6.300112.4D430 C439 D441 P455 H457 N460 G461D430-Q463 WeakPolarHBondContact CA-O 3.3Å; C439-Q463 HydrophobicContact CB-CG 4.44Å; D441-Q463 HydrophobicContact CB-CG 4.13Å; D441-Q463 WeakPolarHBondContact OD2-CG 3.45Å; D441-Q463 PolarHBondContact OD2-NE2 3.16Å; P455-Q463 PolarHBondContact O-NE2 3.22Å; H457-Q463 PolarHBondContact CD2-NE2 3.45Å; H457-Q463 PolarHBondContact CD2-OE1 2.04Å; H457-Q463 VanDerWaalsContact CD2-OE1 3.26Å; H457-Q463 WeakPolarHBondContact NE2-CG 3.39Å; H457-Q463 PolarHBondContact NE2-NE2 3.06Å; H457-Q463 PolarHBondContact NE2-OE1 2.96Å; N460-Q463 PolarHBondContact O-N 3.25Å; G461-Q463 PolarHBondContact O-N 3.48Å
464H95.5Very high91.1Very high33 Ų3360.6 Ų60.615%0.15331%0.307CS..  trans-88.2115-176.4-166.3-166.9000111.5Q429 N460 G461 H482 S483Q429-H464 PolarHBondContact OE1-NE2 2.66Å; N460-H464 HydrophobicContact CB-CB 3.78Å; G461-H464 WeakPolarHBondContact O-CB 3.41Å; G461-H464 PolarHBondContact O-N 3.25Å; H464-H482 PolarHBondContact O-CD2 2.97Å; H464-H482 VanDerWaalsContact O-CD2 3.25Å; H464-S483 PolarHBondContact CD2-OG 2.98Å; H464-S483 VanDerWaalsContact CG-CB 3.49Å; H464-S483 WeakPolarHBondContact ND1-CB 3.41Å; H464-S483 PolarHBondContact ND1-OG 2.82Å; H464-S483 PolarHBondContact O-N 3.34Å; H464-S483 PolarHBondContact O-OG 3.32Å
465W96.5Very high90.8Very high0 Ų061.1 Ų61.10%031%0.312CS..EExtended strand (participates in β ladder)trans-121.2142.4-178.7-59.295.2000111.7Y425 Q429 I431 L440 V442 V451 I480 A481 H482 L489 V500Y425-W465 HydrophobicContact CE2-CB 4.26Å; Y425-W465 WeakPolarHBondContact CE2-O 3Å; Y425-W465 PolarHBondContact OH-O 3.25Å; Q429-W465 WeakPolarHBondContact CB-O 3.41Å; Q429-W465 PolarHBondContact O-N 2.93Å; I431-W465 HydrophobicContact CD1-CB 3.97Å; I431-W465 HydrophobicContact CD1-CD2 4.16Å; I431-W465 HydrophobicContact CD1-CG 3.81Å; I431-W465 HydrophobicContact CG1-CB 4.14Å; I431-W465 HydrophobicContact CG1-CG 4.06Å; L440-W465 HydrophobicContact CB-CZ2 3.93Å; L440-W465 PolarHBondContact O-NE1 2.81Å; V442-W465 HydrophobicContact CG2-CH2 3.38Å; V442-W465 HydrophobicContact CG2-CZ2 3.47Å; V442-W465 VanDerWaalsContact CG2-CZ2 3.47Å; V442-W465 HydrophobicContact CG2-CZ3 4.43Å; V451-W465 HydrophobicContact CG1-CH2 4.27Å; V451-W465 HydrophobicContact CG1-CZ2 4Å; V451-W465 HydrophobicContact CG2-CH2 4.07Å; W465-I480 HydrophobicContact CB-CG2 4.47Å; W465-I480 HydrophobicContact CD2-CG2 4.23Å; W465-I480 HydrophobicContact CE3-CG2 3.63Å; W465-I480 HydrophobicContact CZ3-CG2 4.21Å; W465-A481 CarbonylContact C-O 3.58Å; W465-A481 WeakPolarHBondContact CA-O 3.37Å; W465-H482 HydrophobicContact CE3-CB 3.89Å; W465-H482 HydrophobicContact CH2-CB 4.15Å; W465-H482 HydrophobicContact CZ3-CB 3.62Å; W465-L489 HydrophobicContact CH2-CD1 3.91Å; W465-L489 HydrophobicContact CZ3-CB 4.47Å; W465-L489 HydrophobicContact CZ3-CD1 4.1Å; W465-V500 HydrophobicContact CH2-CG1 3.89Å; W465-V500 HydrophobicContact CZ3-CG1 4.19Å
466H93.1Very high90.7Very high61 Ų6160.9 Ų60.928%0.28231%0.308SS..EExtended strand (participates in β ladder)trans-120127.7174.2-174.762.3000109.7Q468 A481H466-Q468 WeakPolarHBondContact CD2-CG 3.44Å; H466-Q468 PolarHBondContact CD2-NE2 2.93Å; H466-Q468 VanDerWaalsContact CD2-NE2 3.29Å; H466-Q468 WeakPolarHBondContact NE2-CG 3.27Å; H466-Q468 PolarHBondContact NE2-NE2 2.95Å; H466-A481 PolarHBondContact N-O 3.34Å; H466-A481 PolarHBondContact O-N 2.9Å
467L93.1Very high90.8Very high11 Ų1159.2 Ų59.26%0.05830%0.296CS..EExtended strand (participates in β ladder)trans-92.1125.4175.6-57.4-175.2000109.4A380 Y425 V478 I480 W514 L517 L519A380-L467 HydrophobicContact CB-CD1 4.35Å; Y425-L467 HydrophobicContact CD1-CD1 3.42Å; Y425-L467 VanDerWaalsContact CD1-CD1 3.42Å; Y425-L467 HydrophobicContact CD1-CG 3.99Å; Y425-L467 HydrophobicContact CD2-CD1 4.3Å; Y425-L467 HydrophobicContact CD2-CG 4.34Å; Y425-L467 HydrophobicContact CE1-CD1 3.68Å; Y425-L467 HydrophobicContact CE1-CG 3.76Å; Y425-L467 HydrophobicContact CE2-CD1 4.49Å; Y425-L467 HydrophobicContact CE2-CG 4.11Å; Y425-L467 HydrophobicContact CG-CD1 3.78Å; Y425-L467 HydrophobicContact CG-CG 4.29Å; L467-V478 HydrophobicContact CD2-CG2 4.39Å; L467-I480 HydrophobicContact CD2-CB 4.3Å; L467-I480 HydrophobicContact CD2-CD1 4.33Å; L467-I480 HydrophobicContact CD2-CG1 3.72Å; L467-I480 HydrophobicContact CD2-CG2 4.17Å; L467-W514 HydrophobicContact CD1-CE3 4.46Å; L467-W514 HydrophobicContact CD1-CZ3 4.39Å; L467-W514 HydrophobicContact CD2-CZ3 4.3Å; L467-L517 HydrophobicContact CD1-CD1 4.39Å; L467-L519 HydrophobicContact CB-CD1 3.96Å; L467-L519 HydrophobicContact CD1-CD1 4.39Å
468Q89.9Confident91Very high100 Ų10056.1 Ų56.147%0.46728%0.282SS..EExtended strand (participates in β ladder)trans-122.2127.7173.9-65.5-177.9-20.100109.3H466 A470 V478 I479H466-Q468 WeakPolarHBondContact CD2-CG 3.44Å; H466-Q468 PolarHBondContact CD2-NE2 2.93Å; H466-Q468 VanDerWaalsContact CD2-NE2 3.29Å; H466-Q468 WeakPolarHBondContact NE2-CG 3.27Å; H466-Q468 PolarHBondContact NE2-NE2 2.95Å; Q468-A470 PolarHBondContact O-N 3.32Å; Q468-V478 CarbonylContact O-C 3.54Å; Q468-V478 VanDerWaalsContact O-CA 3.26Å; Q468-V478 WeakPolarHBondContact O-CA 3.11Å; Q468-I479 PolarHBondContact N-O 2.97Å; Q468-I479 PolarHBondContact O-N 2.88Å
469S90.9Very high91.5Very high10 Ų1054.7 Ų54.77%0.0726%0.264CS..EExtended strand (participates in β ladder)trans-62.5130.4171.7172.70000110Y471 R472 N473 E475S469-Y471 PolarHBondContact O-N 2.88Å; S469-Y471 PolarHBondContact OG-N 3.36Å; S469-R472 PolarHBondContact O-N 2.88Å; S469-R472 PolarHBondContact OG-N 3.34Å; S469-N473 PolarHBondContact OG-N 3.26Å; S469-N473 PolarHBondContact OG-OD1 2.74Å; S469-E475 WeakPolarHBondContact CB-O 3.47Å; S469-E475 PolarHBondContact OG-O 3.1Å
470A90.2Very high92.1Very high30 Ų3047.3 Ų47.325%0.24823%0.23CC..THydrogen-bonded Turntrans-61.7-24.9177.800000112.4Q468 P477 I479 R511Q468-A470 PolarHBondContact O-N 3.32Å; A470-P477 HydrophobicContact CB-CG 4.02Å; A470-P477 VanDerWaalsContact CB-O 3.31Å; A470-P477 WeakPolarHBondContact CB-O 2.97Å; A470-P477 PolarHBondContact N-O 3.23Å; A470-I479 HydrophobicContact CB-CD1 4.49Å; A470-I479 HydrophobicContact CB-CG1 4.34Å; A470-R511 HydrophobicContact CB-CG 4.37Å
471Y89Confident92.5Very high140 Ų14045 Ų4555%0.54922%0.219SC..THydrogen-bonded Turntrans-105.66.4178.1-54-50.2000113.3S469 N473 P477S469-Y471 PolarHBondContact O-N 2.88Å; S469-Y471 PolarHBondContact OG-N 3.36Å; Y471-N473 PolarHBondContact O-N 3.4Å; Y471-P477 HydrophobicContact CE2-CG 4.09Å
472R82.6Confident92.8Very high232 Ų23243.7 Ų43.788%0.87521%0.205SC*.SBendtrans54.735.1-178.5-55-179.1178-176.8-1.7113.6S469S469-R472 PolarHBondContact O-N 2.88Å; S469-R472 PolarHBondContact OG-N 3.34Å
473N86.7Confident92.6Very high59 Ų5943.3 Ų43.332%0.31621%0.206SC..SBendtrans-117.811.4178.570.7-12.5000112.8S469 Y471 E475S469-N473 PolarHBondContact OG-N 3.26Å; S469-N473 PolarHBondContact OG-OD1 2.74Å; Y471-N473 PolarHBondContact O-N 3.4Å; N473-E475 PolarHBondContact ND2-OE2 2.71Å; N473-E475 PolarHBondContact O-N 3.07Å; N473-E475 VanDerWaalsContact O-N 3.14Å; N473-E475 WeakPolarHBondContact OD1-CB 3.28Å; N473-E475 PolarHBondContact OD1-N 2.94Å
474N84.7Confident92.4Very high22 Ų2247.4 Ų47.412%0.11823%0.232CC..SBendtrans56.222.8-175.1-62.8-29.1000114.9L519 K520 L523 L526N474-L519 HydrophobicContact CB-CB 4.12Å; N474-K520 HydrophobicContact CB-CB 4.05Å; N474-K520 PolarHBondContact O-N 3.38Å; N474-L523 PolarHBondContact ND2-O 3.34Å; N474-L523 VanDerWaalsContact ND2-O 3.1Å; N474-L526 PolarHBondContact ND2-O 2.77Å; N474-L526 PolarHBondContact OD1-O 3.39Å
475E92.1Very high92.4Very high77 Ų7747.4 Ų47.436%0.3624%0.235SC..  trans-114.3170.5173.4-62.2173.3173.100111.1S469 N473 K520S469-E475 WeakPolarHBondContact CB-O 3.47Å; S469-E475 PolarHBondContact OG-O 3.1Å; N473-E475 PolarHBondContact ND2-OE2 2.71Å; N473-E475 PolarHBondContact O-N 3.07Å; N473-E475 VanDerWaalsContact O-N 3.14Å; N473-E475 WeakPolarHBondContact OD1-CB 3.28Å; N473-E475 PolarHBondContact OD1-N 2.94Å; E475-K520 HydrophobicContact CG-CD 3.94Å; E475-K520 VanDerWaalsContact OE1-CD 3.28Å; E475-K520 WeakPolarHBondContact OE1-CD 3.26Å; E475-K520 IonicContact OE1-NZ 2.9Å; E475-K520 PolarHBondContact OE1-NZ 3.06Å
476N94.6Very high92.3Very high49 Ų4949.8 Ų49.826%0.26226%0.26SS..SBendtrans-61.5151.4170.2-84.4-39.9000111.4N513 W514N476-N513 WeakPolarHBondContact CB-OD1 3.22Å; N476-N513 WeakPolarHBondContact OD1-CA 3.41Å; N476-W514 PolarHBondContact ND2-O 2.77Å; N476-W514 PolarHBondContact OD1-N 2.92Å
477P95.6Very high92.5Very high8 Ų847.6 Ų47.65%0.05225%0.25CS..SBendcis-79.5156.1-6.332-30.9000112V387 A470 Y471 R511 W512 N513V387-P477 HydrophobicContact CG2-CB 3.5Å; V387-P477 HydrophobicContact CG2-CG 4.16Å; A470-P477 HydrophobicContact CB-CG 4.02Å; A470-P477 VanDerWaalsContact CB-O 3.31Å; A470-P477 WeakPolarHBondContact CB-O 2.97Å; A470-P477 PolarHBondContact N-O 3.23Å; Y471-P477 HydrophobicContact CE2-CG 4.09Å; P477-R511 HydrophobicContact CB-CB 4.08Å; P477-R511 HydrophobicContact CG-CB 4.26Å; P477-W512 CarbonylContact C-O 3.53Å; P477-W512 WeakPolarHBondContact CA-O 3.15Å; P477-W512 WeakPolarHBondContact CB-O 3.44Å; P477-N513 WeakPolarHBondContact CA-OD1 3.39Å; P477-N513 WeakPolarHBondContact CB-OD1 3.46Å
478V95.2Very high92.7Very high0 Ų047.1 Ų47.10%025%0.248CC..EExtended strand (participates in β ladder)trans-103.4150.4174.9-61.40000111.7L467 Q468 I480 W512 L517 L519L467-V478 HydrophobicContact CD2-CG2 4.39Å; Q468-V478 CarbonylContact O-C 3.54Å; Q468-V478 VanDerWaalsContact O-CA 3.26Å; Q468-V478 WeakPolarHBondContact O-CA 3.11Å; V478-I480 HydrophobicContact CG2-CG1 4.05Å; V478-W512 HydrophobicContact CG2-CB 4.41Å; V478-W512 WeakPolarHBondContact CG2-O 3.22Å; V478-W512 PolarHBondContact N-O 3.41Å; V478-W512 PolarHBondContact O-N 2.68Å; V478-L517 HydrophobicContact CG1-CD1 4.28Å; V478-L517 HydrophobicContact CG1-CD2 3.64Å; V478-L519 HydrophobicContact CG1-CD1 4.37Å
479I95.8Very high93.1Very high14 Ų1442.4 Ų42.47%0.07223%0.226CC..EExtended strand (participates in β ladder)trans-93.3128.2159.5-56.5-59.3000106.9Q468 A470 C488 Q510 R511Q468-I479 PolarHBondContact N-O 2.97Å; Q468-I479 PolarHBondContact O-N 2.88Å; A470-I479 HydrophobicContact CB-CD1 4.49Å; A470-I479 HydrophobicContact CB-CG1 4.34Å; I479-C488 HydrophobicContact CG2-CB 4.05Å; I479-C488 WeakPolarHBondContact CG2-SG 3.38Å; I479-Q510 HydrophobicContact CD1-CB 4.31Å; I479-Q510 VanDerWaalsContact CD1-O 3.26Å; I479-Q510 WeakPolarHBondContact CD1-O 3.35Å; I479-R511 HydrophobicContact CD1-CG 3.73Å
480I97Very high93.5Very high0 Ų042 Ų420%022%0.223CC..EExtended strand (participates in β ladder)trans-101101.4179.2-55.4-178.2000107.5I384 I431 W465 L467 V478 C488 L489 W512 W514I384-I480 HydrophobicContact CG2-CD1 4.03Å; I431-I480 HydrophobicContact CD1-CD1 4.33Å; I431-I480 HydrophobicContact CD1-CG2 3.5Å; W465-I480 HydrophobicContact CB-CG2 4.47Å; W465-I480 HydrophobicContact CD2-CG2 4.23Å; W465-I480 HydrophobicContact CE3-CG2 3.63Å; W465-I480 HydrophobicContact CZ3-CG2 4.21Å; L467-I480 HydrophobicContact CD2-CB 4.3Å; L467-I480 HydrophobicContact CD2-CD1 4.33Å; L467-I480 HydrophobicContact CD2-CG1 3.72Å; L467-I480 HydrophobicContact CD2-CG2 4.17Å; V478-I480 HydrophobicContact CG2-CG1 4.05Å; I480-C488 WeakPolarHBondContact O-CA 3.38Å; I480-L489 HydrophobicContact CB-CB 3.86Å; I480-L489 HydrophobicContact CB-CD2 4.17Å; I480-L489 HydrophobicContact CD1-CD2 3.84Å; I480-L489 HydrophobicContact CG2-CB 4.21Å; I480-L489 HydrophobicContact CG2-CD2 4.26Å; I480-L489 WeakPolarHBondContact O-CB 3.32Å; I480-L489 PolarHBondContact O-N 2.86Å; I480-W512 HydrophobicContact CD1-CB 4.11Å; I480-W512 HydrophobicContact CD1-CG 4.05Å; I480-W512 HydrophobicContact CG1-CG 4.43Å; I480-W514 HydrophobicContact CD1-CZ3 4.35Å
481A96.3Very high93.8Very high13 Ų1341 Ų4111%0.10721%0.213CC..EExtended strand (participates in β ladder)trans-97.6132.3-177.700000110.8W465 H466 S483 L487W465-A481 CarbonylContact C-O 3.58Å; W465-A481 WeakPolarHBondContact CA-O 3.37Å; H466-A481 PolarHBondContact N-O 3.34Å; H466-A481 PolarHBondContact O-N 2.9Å; A481-S483 PolarHBondContact O-N 3.16Å; A481-L487 CarbonylContact C-O 3.58Å
482H97.1Very high94.2Very high2 Ų237.7 Ų37.71%0.00921%0.205CC..EExtended strand (participates in β ladder)trans-78.7112.4170.5-178.6-119.6000109V442 G461 N462 H464 W465 T484 S485 G486 L487V442-H482 HydrophobicContact CG2-CB 4.48Å; G461-H482 PolarHBondContact O-NE2 2.87Å; N462-H482 WeakPolarHBondContact CA-NE2 3.19Å; N462-H482 PolarHBondContact O-NE2 2.89Å; H464-H482 PolarHBondContact O-CD2 2.97Å; H464-H482 VanDerWaalsContact O-CD2 3.25Å; W465-H482 HydrophobicContact CE3-CB 3.89Å; W465-H482 HydrophobicContact CH2-CB 4.15Å; W465-H482 HydrophobicContact CZ3-CB 3.62Å; H482-T484 VanDerWaalsContact C-N 3.31Å; H482-T484 PolarHBondContact O-N 3.2Å; H482-S485 WeakPolarHBondContact ND1-CB 3.48Å; H482-S485 PolarHBondContact ND1-N 2.8Å; H482-S485 PolarHBondContact ND1-OG 3.27Å; H482-S485 PolarHBondContact O-N 3.45Å; H482-G486 WeakPolarHBondContact O-CA 3.36Å; H482-G486 PolarHBondContact O-N 2.95Å; H482-L487 PolarHBondContact N-O 2.96Å
483S92.7Very high94.7Very high47 Ų4730.1 Ų30.133%0.32918%0.181SC..THydrogen-bonded Turntrans-59.6-40.2-169.4-56.40000112.5H464 A481H464-S483 PolarHBondContact CD2-OG 2.98Å; H464-S483 VanDerWaalsContact CG-CB 3.49Å; H464-S483 WeakPolarHBondContact ND1-CB 3.41Å; H464-S483 PolarHBondContact ND1-OG 2.82Å; H464-S483 PolarHBondContact O-N 3.34Å; H464-S483 PolarHBondContact O-OG 3.32Å; A481-S483 PolarHBondContact O-N 3.16Å
484T91.5Very high95.1Very high88 Ų8839 Ų3954%0.5421%0.211SC..THydrogen-bonded Turntrans-73.5-34.1-174-56.10000113.2G461 H482G461-T484 PolarHBondContact O-OG1 2.99Å; H482-T484 VanDerWaalsContact C-N 3.31Å; H482-T484 PolarHBondContact O-N 3.2Å
485S94.8Very high95.5Very high33 Ų3340 Ų4023%0.23123%0.227CC..THydrogen-bonded Turntrans-102.2-13.7-178.968.30000114.3H482 L487H482-S485 WeakPolarHBondContact ND1-CB 3.48Å; H482-S485 PolarHBondContact ND1-N 2.8Å; H482-S485 PolarHBondContact ND1-OG 3.27Å; H482-S485 PolarHBondContact O-N 3.45Å; S485-L487 PolarHBondContact O-N 2.78Å; S485-L487 WeakPolarHBondContact OG-CB 3.09Å; S485-L487 WeakPolarHBondContact OG-CG 3.46Å; S485-L487 PolarHBondContact OG-N 3.29Å
486G95Very high95.7Very high50 Ų5039.9 Ų39.952%0.51523%0.228SC..THydrogen-bonded Turntrans66.615.5-172.700000114H482 C503H482-G486 WeakPolarHBondContact O-CA 3.36Å; H482-G486 PolarHBondContact O-N 2.95Å; G486-C503 PolarHBondContact O-SG 3.28Å
487L97.9Very high95.8Very high15 Ų1539.1 Ų39.18%0.07923%0.226CC..EExtended strand (participates in β ladder)trans-94.8153.8177.6-58.1177.8000110.7A445 P447 A481 H482 S485 V500 R501 C503A445-L487 VanDerWaalsContact O-CD1 3.29Å; A445-L487 WeakPolarHBondContact O-CD1 3.46Å; P447-L487 HydrophobicContact CG-CD1 4.4Å; P447-L487 HydrophobicContact CG-CD2 4.18Å; A481-L487 CarbonylContact C-O 3.58Å; H482-L487 PolarHBondContact N-O 2.96Å; S485-L487 PolarHBondContact O-N 2.78Å; S485-L487 WeakPolarHBondContact OG-CB 3.09Å; S485-L487 WeakPolarHBondContact OG-CG 3.46Å; S485-L487 PolarHBondContact OG-N 3.29Å; L487-V500 HydrophobicContact CB-CB 3.85Å; L487-V500 HydrophobicContact CB-CG2 4.35Å; L487-V500 HydrophobicContact CD1-CB 4.19Å; L487-V500 HydrophobicContact CD1-CG2 3.8Å; L487-R501 CarbonylContact C-O 3.59Å; L487-R501 WeakPolarHBondContact CA-O 3.41Å; L487-R501 WeakPolarHBondContact CB-O 3.26Å; L487-C503 VanDerWaalsContact C-SG 3.59Å
488C98Very high95.9Very high1 Ų138.8 Ų38.81%0.00722%0.224CC..EExtended strand (participates in β ladder)trans-107.7146.7-179.3-730000111.9I479 I480 D490 V500 R501 C503I479-C488 HydrophobicContact CG2-CB 4.05Å; I479-C488 WeakPolarHBondContact CG2-SG 3.38Å; I480-C488 WeakPolarHBondContact O-CA 3.38Å; C488-D490 PolarHBondContact O-N 2.87Å; C488-V500 WeakPolarHBondContact O-CA 3.48Å; C488-R501 PolarHBondContact N-O 3.08Å; C488-R501 PolarHBondContact O-N 2.83Å; C488-C503 HydrophobicContact CB-CB 3.93Å; C488-C503 WeakPolarHBondContact CB-SG 3.3Å; C488-C503 PolarHBondContact N-SG 2.83Å; C488-C503 WeakPolarHBondContact SG-CB 3.33Å; C488-C503 CovalentContact SG-SG 2.03Å; C488-C503 PolarHBondContact SG-SG 2.91Å
489L98Very high96.1Very high0 Ų040.1 Ų40.10%023%0.23CC..EExtended strand (participates in β ladder)trans-62.9119.7173.4-161.374.9000110.1I394 V451 W465 I480 V498 Q510 W512I394-L489 HydrophobicContact CD1-CD2 3.82Å; V451-L489 HydrophobicContact CB-CD1 4.42Å; V451-L489 HydrophobicContact CG2-CD1 3.57Å; W465-L489 HydrophobicContact CH2-CD1 3.91Å; W465-L489 HydrophobicContact CZ3-CB 4.47Å; W465-L489 HydrophobicContact CZ3-CD1 4.1Å; I480-L489 HydrophobicContact CB-CB 3.86Å; I480-L489 HydrophobicContact CB-CD2 4.17Å; I480-L489 HydrophobicContact CD1-CD2 3.84Å; I480-L489 HydrophobicContact CG2-CB 4.21Å; I480-L489 HydrophobicContact CG2-CD2 4.26Å; I480-L489 WeakPolarHBondContact O-CB 3.32Å; I480-L489 PolarHBondContact O-N 2.86Å; L489-V498 HydrophobicContact CD1-CG1 3.31Å; L489-V498 HydrophobicContact CD2-CG1 4.05Å; L489-V498 HydrophobicContact CG-CG1 3.57Å; L489-Q510 WeakPolarHBondContact O-CA 3.26Å; L489-W512 HydrophobicContact CD2-CD2 4.45Å; L489-W512 HydrophobicContact CD2-CZ2 4.05Å; L489-W512 HydrophobicContact CG-CZ2 4.12Å; L489-W512 PolarHBondContact O-NE1 3.21Å
490D97.9Very high96.2Very high1 Ų139.4 Ų39.41%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-128.1170175.8-157.40.1000109.6C488 V498 F499 R501 T509 Q510C488-D490 PolarHBondContact O-N 2.87Å; D490-V498 WeakPolarHBondContact O-CA 3.29Å; D490-F499 HydrophobicContact CB-CE1 4.31Å; D490-F499 HydrophobicContact CB-CE2 4.11Å; D490-F499 HydrophobicContact CB-CZ 3.98Å; D490-F499 PolarHBondContact N-O 2.95Å; D490-F499 PolarHBondContact O-N 2.83Å; D490-F499 VanDerWaalsContact O-O 3.09Å; D490-R501 HydrophobicContact CB-CG 3.98Å; D490-R501 WeakPolarHBondContact OD2-CD 3.45Å; D490-R501 IonicContact OD2-CZ 2.71Å; D490-R501 IonicContact OD2-NE 2.92Å; D490-R501 IonicContact OD2-NH1 3.15Å; D490-R501 PolarHBondContact OD2-NH1 2.96Å; D490-T509 WeakPolarHBondContact OD1-CB 3.4Å; D490-T509 PolarHBondContact OD1-OG1 2.97Å; D490-Q510 HydrophobicContact CB-CG 3.78Å
491L97.5Very high96.2Very high9 Ų943.6 Ų43.65%0.04724%0.242CC..EExtended strand (participates in β ladder)trans-125.6150-179.564.592.1000112.5S386 F389 L407 S497 F499 T509 W512S386-L491 WeakPolarHBondContact OG-CD2 3.23Å; F389-L491 HydrophobicContact CD2-CD1 3.73Å; F389-L491 HydrophobicContact CD2-CD2 4.44Å; F389-L491 HydrophobicContact CE2-CD1 3.78Å; L407-L491 HydrophobicContact CD1-CB 3.66Å; L407-L491 HydrophobicContact CD1-CD1 4.3Å; L407-L491 HydrophobicContact CD1-CD2 4.25Å; L407-L491 HydrophobicContact CD1-CG 4.28Å; L491-S497 WeakPolarHBondContact CA-O 3.42Å; L491-F499 WeakPolarHBondContact O-CE1 3.43Å; L491-T509 HydrophobicContact CD1-CG2 4.3Å; L491-T509 HydrophobicContact CG-CG2 4.45Å; L491-W512 HydrophobicContact CB-CH2 3.96Å; L491-W512 HydrophobicContact CB-CZ2 4.23Å; L491-W512 HydrophobicContact CD2-CH2 3.74Å; L491-W512 HydrophobicContact CD2-CZ2 4.12Å; L491-W512 HydrophobicContact CD2-CZ3 4.28Å; L491-W512 HydrophobicContact CG-CH2 4.44Å
492N96.2Very high96.2Very high71 Ų7153 Ų5338%0.3828%0.275SS..EExtended strand (participates in β ladder)trans-111.6110.7169.4-177.1-22.6000108.4R494 G495 L496 S497 F499N492-R494 VanDerWaalsContact C-N 3.34Å; N492-R494 PolarHBondContact O-N 3.12Å; N492-R494 WeakPolarHBondContact OD1-CB 3.13Å; N492-R494 PolarHBondContact OD1-N 3.33Å; N492-G495 PolarHBondContact O-N 3.3Å; N492-G495 PolarHBondContact OD1-N 3.43Å; N492-L496 WeakPolarHBondContact O-CA 3.28Å; N492-L496 PolarHBondContact O-N 2.04Å; N492-S497 PolarHBondContact N-O 3.39Å; N492-S497 PolarHBondContact O-N 2.9Å; N492-F499 HydrophobicContact CB-CD1 4.17Å; N492-F499 HydrophobicContact CB-CE1 3.78Å
493L95.1Very high96.2Very high73 Ų7355.5 Ų55.538%0.38229%0.292SS..THydrogen-bonded Turntrans-61.4-41.3-179.6-176.269.1000112.2F389 L392 G495 L496F389-L493 HydrophobicContact CD1-CD1 4.04Å; F389-L493 HydrophobicContact CD1-CD2 4.41Å; F389-L493 HydrophobicContact CD2-CD1 4.02Å; F389-L493 HydrophobicContact CE1-CD1 4.11Å; F389-L493 HydrophobicContact CE1-CD2 3.69Å; F389-L493 HydrophobicContact CE1-CG 4.46Å; F389-L493 HydrophobicContact CE2-CB 4.18Å; F389-L493 HydrophobicContact CE2-CD1 4.09Å; F389-L493 HydrophobicContact CE2-CD2 4.26Å; F389-L493 HydrophobicContact CE2-CG 4.4Å; F389-L493 HydrophobicContact CG-CD1 4Å; F389-L493 HydrophobicContact CZ-CB 4.32Å; F389-L493 HydrophobicContact CZ-CD1 4.15Å; F389-L493 HydrophobicContact CZ-CD2 3.62Å; F389-L493 HydrophobicContact CZ-CG 4.24Å; L392-L493 HydrophobicContact CD1-CD1 3.69Å; L493-G495 VanDerWaalsContact C-N 3.31Å; L493-G495 PolarHBondContact O-N 3.14Å; L493-L496 PolarHBondContact O-N 3.35Å
494R94Very high96.3Very high246 Ų24655.2 Ų55.293%0.92829%0.29SS*.THydrogen-bonded Turntrans-64.7-37.2-175.7-162.7-178.4-147.7-173.47112.1N492N492-R494 VanDerWaalsContact C-N 3.34Å; N492-R494 PolarHBondContact O-N 3.12Å; N492-R494 WeakPolarHBondContact OD1-CB 3.13Å; N492-R494 PolarHBondContact OD1-N 3.33Å
495G93.6Very high96Very high44 Ų4454.9 Ų54.945%0.45429%0.291SS..THydrogen-bonded Turntrans-95-4.6179.100000114.7N492 L493 S497N492-G495 PolarHBondContact O-N 3.3Å; N492-G495 PolarHBondContact OD1-N 3.43Å; L493-G495 VanDerWaalsContact C-N 3.31Å; L493-G495 PolarHBondContact O-N 3.14Å; G495-S497 PolarHBondContact O-N 3.3Å
496L96.7Very high95.8Very high73 Ų7359.7 Ų59.738%0.38232%0.315SS..THydrogen-bonded Turntrans4444.6-167.2-62.3176.4000111.9L392 K406 L407 N492 L493L392-L496 HydrophobicContact CD1-CD2 3.86Å; L392-L496 HydrophobicContact CD2-CD2 4.2Å; K406-L496 CarbonylContact C-O 3.58Å; K406-L496 WeakPolarHBondContact CA-O 3.45Å; K406-L496 WeakPolarHBondContact CB-O 3.22Å; L407-L496 HydrophobicContact CB-CB 4.32Å; L407-L496 PolarHBondContact N-O 3.29Å; N492-L496 WeakPolarHBondContact O-CA 3.28Å; N492-L496 PolarHBondContact O-N 2.04Å; L493-L496 PolarHBondContact O-N 3.35Å
497S96.5Very high95.8Very high33 Ų3360 Ų6023%0.23130%0.304CS..EExtended strand (participates in β ladder)trans-119.9156.8-173.7630000112L491 N492 G495L491-S497 WeakPolarHBondContact CA-O 3.42Å; N492-S497 PolarHBondContact N-O 3.39Å; N492-S497 PolarHBondContact O-N 2.9Å; G495-S497 PolarHBondContact O-N 3.3Å
498V97.9Very high95.8Very high1 Ų166.1 Ų66.11%0.00633%0.326CS..EExtended strand (participates in β ladder)trans-113.8134.7178.1-175.60000109.3I394 V405 L407 V451 L489 D490 W512I394-V498 HydrophobicContact CG1-CG2 4.37Å; V405-V498 HydrophobicContact CB-CB 4.16Å; V405-V498 HydrophobicContact CG1-CB 3.91Å; V405-V498 HydrophobicContact CG1-CG1 4.45Å; V405-V498 HydrophobicContact CG1-CG2 3.9Å; V405-V498 PolarHBondContact O-N 3.42Å; V405-V498 VanDerWaalsContact O-N 3.11Å; L407-V498 HydrophobicContact CD2-CG2 3.87Å; L407-V498 HydrophobicContact CG-CG2 3.94Å; V451-V498 HydrophobicContact CG2-CG1 4.34Å; V451-V498 PolarHBondContact N-O 2.86Å; V451-V498 VanDerWaalsContact N-O 3.08Å; L489-V498 HydrophobicContact CD1-CG1 3.31Å; L489-V498 HydrophobicContact CD2-CG1 4.05Å; L489-V498 HydrophobicContact CG-CG1 3.57Å; D490-V498 WeakPolarHBondContact O-CA 3.29Å; V498-W512 HydrophobicContact CG2-CH2 4.44Å
499F97.8Very high95.8Very high28 Ų2867.6 Ų67.612%0.12334%0.335CS..EExtended strand (participates in β ladder)trans-146.4169-175.467.9-88.1000110.7K449 D490 L491 N492 R501K449-F499 CarbonylContact O-C 3.6Å; K449-F499 VanDerWaalsContact O-CA 3.28Å; K449-F499 WeakPolarHBondContact O-CA 3.05Å; K449-F499 VanDerWaalsContact O-CB 3.23Å; K449-F499 WeakPolarHBondContact O-CB 3.42Å; D490-F499 HydrophobicContact CB-CE1 4.31Å; D490-F499 HydrophobicContact CB-CE2 4.11Å; D490-F499 HydrophobicContact CB-CZ 3.98Å; D490-F499 PolarHBondContact N-O 2.95Å; D490-F499 PolarHBondContact O-N 2.83Å; D490-F499 VanDerWaalsContact O-O 3.09Å; L491-F499 WeakPolarHBondContact O-CE1 3.43Å; N492-F499 HydrophobicContact CB-CD1 4.17Å; N492-F499 HydrophobicContact CB-CE1 3.78Å; F499-R501 HydrophobicContact CD2-CB 4.3Å; F499-R501 HydrophobicContact CE2-CB 3.9Å; F499-R501 HydrophobicContact CE2-CG 4.2Å
500V98.1Very high95.7Very high0 Ų067.6 Ų67.60%034%0.335CS..EExtended strand (participates in β ladder)trans-103.7141.7173.6-68.10000111.7V442 N448 K449 V451 W465 L487 C488V442-V500 HydrophobicContact CG1-CG1 4.3Å; V442-V500 HydrophobicContact CG1-CG2 3.7Å; V442-V500 HydrophobicContact CG2-CG1 3.81Å; N448-V500 VanDerWaalsContact CA-O 3.3Å; N448-V500 WeakPolarHBondContact CA-O 3.49Å; N448-V500 PolarHBondContact N-O 2.96Å; K449-V500 HydrophobicContact CB-CG2 4.43Å; K449-V500 PolarHBondContact O-N 2.88Å; V451-V500 HydrophobicContact CG2-CG1 3.86Å; W465-V500 HydrophobicContact CH2-CG1 3.89Å; W465-V500 HydrophobicContact CZ3-CG1 4.19Å; L487-V500 HydrophobicContact CB-CB 3.85Å; L487-V500 HydrophobicContact CB-CG2 4.35Å; L487-V500 HydrophobicContact CD1-CB 4.19Å; L487-V500 HydrophobicContact CD1-CG2 3.8Å; C488-V500 WeakPolarHBondContact O-CA 3.48Å
501R97.1Very high95.7Very high88 Ų8869.8 Ų69.833%0.33234%0.343SS..EExtended strand (participates in β ladder)trans-150.7176.7172.276.2-175-57.3-171.7-2.3111.3L487 C488 D490 F499 C503L487-R501 CarbonylContact C-O 3.59Å; L487-R501 WeakPolarHBondContact CA-O 3.41Å; L487-R501 WeakPolarHBondContact CB-O 3.26Å; C488-R501 PolarHBondContact N-O 3.08Å; C488-R501 PolarHBondContact O-N 2.83Å; D490-R501 HydrophobicContact CB-CG 3.98Å; D490-R501 WeakPolarHBondContact OD2-CD 3.45Å; D490-R501 IonicContact OD2-CZ 2.71Å; D490-R501 IonicContact OD2-NE 2.92Å; D490-R501 IonicContact OD2-NH1 3.15Å; D490-R501 PolarHBondContact OD2-NH1 2.96Å; F499-R501 HydrophobicContact CD2-CB 4.3Å; F499-R501 HydrophobicContact CE2-CB 3.9Å; F499-R501 HydrophobicContact CE2-CG 4.2Å; R501-C503 PolarHBondContact O-N 3.01Å
502R97.3Very high95.7Very high210 Ų21069.4 Ų69.479%0.79234%0.341SS*.EExtended strand (participates in β ladder)trans-52.3129.5177.2-170.2172.3-176.6158.61.1111.2Q510R502-Q510 PolarHBondContact O-NE2 2.86Å
503C96.1Very high95.8Very high55 Ų5568.7 Ų68.737%0.37234%0.337SS..  trans-61.9135178.7-62.70000111.5G486 L487 C488 R501G486-C503 PolarHBondContact O-SG 3.28Å; L487-C503 VanDerWaalsContact C-SG 3.59Å; C488-C503 HydrophobicContact CB-CB 3.93Å; C488-C503 WeakPolarHBondContact CB-SG 3.3Å; C488-C503 PolarHBondContact N-SG 2.83Å; C488-C503 WeakPolarHBondContact SG-CB 3.33Å; C488-C503 CovalentContact SG-SG 2.03Å; C488-C503 PolarHBondContact SG-SG 2.91Å; R501-C503 PolarHBondContact O-N 3.01Å
504S95Very high95.8Very high40 Ų4065.2 Ų65.228%0.2832%0.319SS..  trans-144.5117.8174176.60000109.7N506 L507 Q510S504-N506 PolarHBondContact O-N 3.5Å; S504-N506 PolarHBondContact OG-N 2.97Å; S504-L507 PolarHBondContact O-N 2.89Å; S504-Q510 PolarHBondContact O-OE1 2.76Å
505S85Confident95.7Very high82 Ų8260 Ų6057%0.57330%0.3SS*.THydrogen-bonded Turntrans-62.3-22.2177.151.30000112.9R511S505-R511 PolarHBondContact O-NE 2.98Å; S505-R511 PolarHBondContact O-NH2 3.35Å
506N91.6Very high95.7Very high134 Ų13461.2 Ų61.272%0.71730%0.296SS*.THydrogen-bonded Turntrans-81.9-16.7-178.1-65.9-21.6000113.4S504 R508S504-N506 PolarHBondContact O-N 3.5Å; S504-N506 PolarHBondContact OG-N 2.97Å; N506-R508 PolarHBondContact O-N 3.43Å
507L95.5Very high95.5Very high57 Ų5759.3 Ų59.330%0.29829%0.286SS..  trans-84.5110.9-177.3-67.6179.5000111S504 T509 Q510S504-L507 PolarHBondContact O-N 2.89Å; L507-T509 PolarHBondContact O-N 3.2Å; L507-Q510 HydrophobicContact CB-CB 4.36Å; L507-Q510 HydrophobicContact CB-CG 4.14Å; L507-Q510 HydrophobicContact CD1-CG 4.41Å; L507-Q510 PolarHBondContact O-N 3.45Å; L507-Q510 VanDerWaalsContact O-N 3.16Å
508R96.6Very high95Very high142 Ų14263.5 Ų63.554%0.53630%0.296SS..G310 helixtrans-61.1-24.6172.8-71.3-171.264.1173.5-1.5113.2V387 A388 N506 Q510 R511V387-R508 PolarHBondContact O-NH2 3.21Å; A388-R508 HydrophobicContact CB-CB 4.09Å; A388-R508 PolarHBondContact N-O 2.91Å; N506-R508 PolarHBondContact O-N 3.43Å; R508-Q510 VanDerWaalsContact C-N 3.28Å; R508-Q510 PolarHBondContact O-N 3.11Å; R508-R511 PolarHBondContact O-N 2.69Å
509T97.5Very high94.3Very high33 Ų3363.9 Ų63.920%0.20230%0.299CS..G310 helixtrans-71.9-21.6178.957.40000112.9A388 F389 D490 L491 L507A388-T509 HydrophobicContact CB-CG2 3.7Å; F389-T509 HydrophobicContact CE2-CG2 4.31Å; D490-T509 WeakPolarHBondContact OD1-CB 3.4Å; D490-T509 PolarHBondContact OD1-OG1 2.97Å; L491-T509 HydrophobicContact CD1-CG2 4.3Å; L491-T509 HydrophobicContact CG-CG2 4.45Å; L507-T509 PolarHBondContact O-N 3.2Å
510Q97.6Very high93.3Very high0 Ų067.8 Ų67.80%032%0.315CS..G310 helixtrans-89.7-2172.8-67.1-172-6.300113.7I479 L489 D490 R502 S504 L507 R508 W512I479-Q510 HydrophobicContact CD1-CB 4.31Å; I479-Q510 VanDerWaalsContact CD1-O 3.26Å; I479-Q510 WeakPolarHBondContact CD1-O 3.35Å; L489-Q510 WeakPolarHBondContact O-CA 3.26Å; D490-Q510 HydrophobicContact CB-CG 3.78Å; R502-Q510 PolarHBondContact O-NE2 2.86Å; S504-Q510 PolarHBondContact O-OE1 2.76Å; L507-Q510 HydrophobicContact CB-CB 4.36Å; L507-Q510 HydrophobicContact CB-CG 4.14Å; L507-Q510 HydrophobicContact CD1-CG 4.41Å; L507-Q510 PolarHBondContact O-N 3.45Å; L507-Q510 VanDerWaalsContact O-N 3.16Å; R508-Q510 VanDerWaalsContact C-N 3.28Å; R508-Q510 PolarHBondContact O-N 3.11Å; Q510-W512 PolarHBondContact O-NE1 2.86Å
511R97.7Very high91.9Very high47 Ų4773.1 Ų73.118%0.17735%0.348CS..EExtended strand (participates in β ladder)trans-96.8128.5178.8-63.3-179.2-169-178.92.8109.4V387 A470 P477 I479 S505 R508V387-R511 HydrophobicContact CB-CB 3.8Å; V387-R511 VanDerWaalsContact CB-O 3.29Å; V387-R511 WeakPolarHBondContact CB-O 3.38Å; V387-R511 HydrophobicContact CG1-CB 4.26Å; V387-R511 HydrophobicContact CG2-CB 3.76Å; V387-R511 VanDerWaalsContact CG2-O 3.26Å; V387-R511 WeakPolarHBondContact CG2-O 3.42Å; V387-R511 PolarHBondContact N-O 2.89Å; A470-R511 HydrophobicContact CB-CG 4.37Å; P477-R511 HydrophobicContact CB-CB 4.08Å; P477-R511 HydrophobicContact CG-CB 4.26Å; I479-R511 HydrophobicContact CD1-CG 3.73Å; S505-R511 PolarHBondContact O-NE 2.98Å; S505-R511 PolarHBondContact O-NH2 3.35Å; R508-R511 PolarHBondContact O-N 2.69Å
512W97.8Very high90.4Very high0 Ų069.4 Ų69.40%034%0.335CS..EExtended strand (participates in β ladder)trans-126.2136-175.3-57.590.9000110.4I384 R385 I394 L407 P477 V478 I480 L489 L491 V498 Q510I384-W512 HydrophobicContact CG2-CB 3.93Å; I384-W512 HydrophobicContact CG2-CD2 4.22Å; I384-W512 HydrophobicContact CG2-CE3 3.89Å; I384-W512 HydrophobicContact CG2-CG 4.27Å; R385-W512 CarbonylContact O-C 3.52Å; R385-W512 WeakPolarHBondContact O-CA 3.33Å; I394-W512 HydrophobicContact CD1-CE3 4.42Å; I394-W512 HydrophobicContact CD1-CH2 4.4Å; I394-W512 HydrophobicContact CD1-CZ3 4.16Å; I394-W512 HydrophobicContact CG1-CE3 4.43Å; I394-W512 HydrophobicContact CG1-CH2 4.32Å; I394-W512 HydrophobicContact CG1-CZ3 3.87Å; L407-W512 HydrophobicContact CD2-CH2 4.07Å; L407-W512 HydrophobicContact CD2-CZ3 4Å; P477-W512 CarbonylContact C-O 3.53Å; P477-W512 WeakPolarHBondContact CA-O 3.15Å; P477-W512 WeakPolarHBondContact CB-O 3.44Å; V478-W512 HydrophobicContact CG2-CB 4.41Å; V478-W512 WeakPolarHBondContact CG2-O 3.22Å; V478-W512 PolarHBondContact N-O 3.41Å; V478-W512 PolarHBondContact O-N 2.68Å; I480-W512 HydrophobicContact CD1-CB 4.11Å; I480-W512 HydrophobicContact CD1-CG 4.05Å; I480-W512 HydrophobicContact CG1-CG 4.43Å; L489-W512 HydrophobicContact CD2-CD2 4.45Å; L489-W512 HydrophobicContact CD2-CZ2 4.05Å; L489-W512 HydrophobicContact CG-CZ2 4.12Å; L489-W512 PolarHBondContact O-NE1 3.21Å; L491-W512 HydrophobicContact CB-CH2 3.96Å; L491-W512 HydrophobicContact CB-CZ2 4.23Å; L491-W512 HydrophobicContact CD2-CH2 3.74Å; L491-W512 HydrophobicContact CD2-CZ2 4.12Å; L491-W512 HydrophobicContact CD2-CZ3 4.28Å; L491-W512 HydrophobicContact CG-CH2 4.44Å; V498-W512 HydrophobicContact CG2-CH2 4.44Å; Q510-W512 PolarHBondContact O-NE1 2.86Å
513N96.8Very high88.8Confident56 Ų5660.6 Ų60.630%0.29930%0.303SS..EExtended strand (participates in β ladder)trans-96.5119.7169.3-73.6-31.2000108.5R385 N476 P477R385-N513 HydrophobicContact CB-CB 4.37Å; R385-N513 PolarHBondContact N-O 3.02Å; R385-N513 PolarHBondContact O-N 3.09Å; N476-N513 WeakPolarHBondContact CB-OD1 3.22Å; N476-N513 WeakPolarHBondContact OD1-CA 3.41Å; P477-N513 WeakPolarHBondContact CA-OD1 3.39Å; P477-N513 WeakPolarHBondContact CB-OD1 3.46Å
514W95.5Very high86.8Confident1 Ų161.2 Ų61.20%0.00431%0.307CS..EExtended strand (participates in β ladder)trans-89.5129.1168.6-149.5-60.5000109.3A380 T381 G382 E383 I384 F423 I431 L467 N476 I480 D516 L517A380-W514 HydrophobicContact CB-CB 4.34Å; A380-W514 HydrophobicContact CB-CD2 3.44Å; A380-W514 VanDerWaalsContact CB-CD2 3.44Å; A380-W514 VanDerWaalsContact CB-CE2 3.47Å; A380-W514 HydrophobicContact CB-CE3 3.97Å; A380-W514 HydrophobicContact CB-CG 3.61Å; A380-W514 HydrophobicContact CB-CH2 4.4Å; A380-W514 HydrophobicContact CB-CZ2 3.98Å; A380-W514 HydrophobicContact CB-CZ3 4.42Å; T381-W514 PolarHBondContact O-NE1 2.76Å; G382-W514 PolarHBondContact O-NE1 3.02Å; E383-W514 CarbonylContact O-C 3.51Å; E383-W514 WeakPolarHBondContact O-CA 3.35Å; I384-W514 HydrophobicContact CD1-CD2 4.29Å; I384-W514 HydrophobicContact CD1-CE3 3.93Å; I384-W514 HydrophobicContact CD1-CH2 3.51Å; I384-W514 HydrophobicContact CD1-CZ2 3.85Å; I384-W514 HydrophobicContact CD1-CZ3 3.53Å; I384-W514 HydrophobicContact CG1-CD2 3.74Å; I384-W514 HydrophobicContact CG1-CE3 3.77Å; I384-W514 HydrophobicContact CG1-CG 4.44Å; I384-W514 HydrophobicContact CG1-CH2 4.03Å; I384-W514 HydrophobicContact CG1-CZ2 3.97Å; I384-W514 HydrophobicContact CG1-CZ3 3.91Å; F423-W514 HydrophobicContact CB-CH2 4.23Å; F423-W514 HydrophobicContact CB-CZ2 3.6Å; I431-W514 HydrophobicContact CB-CH2 4.42Å; I431-W514 HydrophobicContact CD1-CH2 4.43Å; I431-W514 HydrophobicContact CD1-CZ3 4.22Å; I431-W514 HydrophobicContact CG1-CH2 4.06Å; I431-W514 HydrophobicContact CG1-CZ3 4.3Å; I431-W514 HydrophobicContact CG2-CH2 3.71Å; I431-W514 HydrophobicContact CG2-CZ3 4.41Å; L467-W514 HydrophobicContact CD1-CE3 4.46Å; L467-W514 HydrophobicContact CD1-CZ3 4.39Å; L467-W514 HydrophobicContact CD2-CZ3 4.3Å; N476-W514 PolarHBondContact ND2-O 2.77Å; N476-W514 PolarHBondContact OD1-N 2.92Å; I480-W514 HydrophobicContact CD1-CZ3 4.35Å; W514-D516 PolarHBondContact O-N 2.91Å; W514-L517 HydrophobicContact CB-CB 4.43Å; W514-L517 HydrophobicContact CB-CD1 4.36Å
515R92.9Very high84.7Confident137 Ų13766.3 Ų66.352%0.51733%0.331SS..EExtended strand (participates in β ladder)trans-46.2-59.1-175.7179.5-178.5171.71572.5113.1E383E383-R515 HydrophobicContact CG-CB 3.81Å; E383-R515 HydrophobicContact CG-CG 4.46Å; E383-R515 PolarHBondContact O-N 3Å
516D91.9Very high83Confident68 Ų6869.1 Ų69.136%0.36434%0.339SS..EExtended strand (participates in β ladder)trans-115.192.7178-56-51.7000109.1A380 T381 W514A380-D516 CarbonylContact C-O 3.52Å; A380-D516 VanDerWaalsContact CA-O 3.23Å; A380-D516 WeakPolarHBondContact CA-O 3.23Å; T381-D516 PolarHBondContact N-O 3.33Å; T381-D516 WeakPolarHBondContact O-CB 3.45Å; T381-D516 PolarHBondContact O-N 3.38Å; T381-D516 WeakPolarHBondContact OG1-CB 3.48Å; T381-D516 PolarHBondContact OG1-OD2 2.88Å; W514-D516 PolarHBondContact O-N 2.91Å
517L92.9Very high82.5Confident34 Ų3465.9 Ų65.918%0.17832%0.32CS..EExtended strand (participates in β ladder)trans-97.7123175.6-171.671.1000110.4A380 L467 V478 W514 L519A380-L517 HydrophobicContact CB-CD1 3.88Å; L467-L517 HydrophobicContact CD1-CD1 4.39Å; V478-L517 HydrophobicContact CG1-CD1 4.28Å; V478-L517 HydrophobicContact CG1-CD2 3.64Å; W514-L517 HydrophobicContact CB-CB 4.43Å; W514-L517 HydrophobicContact CB-CD1 4.36Å; L517-L519 HydrophobicContact CD1-CD1 3.77Å; L517-L519 HydrophobicContact CD1-CG 3.74Å; L517-L519 HydrophobicContact CD2-CD1 4.26Å; L517-L519 HydrophobicContact CG-CB 4.4Å; L517-L519 HydrophobicContact CG-CD1 4.26Å; L517-L519 HydrophobicContact CG-CG 4.13Å
518R86.8Confident81.8Confident120 Ų12066.3 Ų66.345%0.45332%0.321SS..  trans-116.617.3-176.8-58.9-176.7-176.8-173.42.1113.1F379 K520 T521 I522F379-R518 WeakPolarHBondContact O-CA 3.41Å; F379-R518 PolarHBondContact O-N 2.83Å; R518-K520 PolarHBondContact O-N 2.74Å; R518-T521 PolarHBondContact O-N 3.22Å; R518-I522 HydrophobicContact CB-CD1 3.67Å; R518-I522 HydrophobicContact CB-CG1 4.24Å; R518-I522 WeakPolarHBondContact O-CB 3.29Å; R518-I522 WeakPolarHBondContact O-CG1 3.21Å; R518-I522 PolarHBondContact O-N 3.25Å
519L82.4Confident81Confident10 Ų1062.1 Ų62.15%0.05231%0.309CS..Hα-helixtrans-57.2-49.7178.2-68.6176000111.3F379 L467 N474 V478 L517 T521 I522 L523F379-L519 HydrophobicContact CB-CD2 3.91Å; F379-L519 HydrophobicContact CD1-CD2 4.32Å; F379-L519 HydrophobicContact CG-CD2 4.26Å; L467-L519 HydrophobicContact CB-CD1 3.96Å; L467-L519 HydrophobicContact CD1-CD1 4.39Å; N474-L519 HydrophobicContact CB-CB 4.12Å; V478-L519 HydrophobicContact CG1-CD1 4.37Å; L517-L519 HydrophobicContact CD1-CD1 3.77Å; L517-L519 HydrophobicContact CD1-CG 3.74Å; L517-L519 HydrophobicContact CD2-CD1 4.26Å; L517-L519 HydrophobicContact CG-CB 4.4Å; L517-L519 HydrophobicContact CG-CD1 4.26Å; L517-L519 HydrophobicContact CG-CG 4.13Å; L519-T521 VanDerWaalsContact C-N 3.27Å; L519-T521 PolarHBondContact O-N 2.72Å; L519-I522 PolarHBondContact O-N 3.23Å; L519-L523 HydrophobicContact CD2-CD1 3.83Å; L519-L523 CarbonylContact O-C 3.59Å; L519-L523 VanDerWaalsContact O-C 3.26Å; L519-L523 WeakPolarHBondContact O-CA 3.01Å; L519-L523 VanDerWaalsContact O-CB 3.27Å; L519-L523 WeakPolarHBondContact O-CB 3.43Å; L519-L523 PolarHBondContact O-N 3.39Å
520K77Confident80Confident109 Ų10963.8 Ų63.847%0.47432%0.315SS..Hα-helixtrans-58.1-37.2177.3-170.4179.1-173-179.60113.7N474 E475 R518 P524N474-K520 HydrophobicContact CB-CB 4.05Å; N474-K520 PolarHBondContact O-N 3.38Å; E475-K520 HydrophobicContact CG-CD 3.94Å; E475-K520 VanDerWaalsContact OE1-CD 3.28Å; E475-K520 WeakPolarHBondContact OE1-CD 3.26Å; E475-K520 IonicContact OE1-NZ 2.9Å; E475-K520 PolarHBondContact OE1-NZ 3.06Å; R518-K520 PolarHBondContact O-N 2.74Å; K520-P524 VanDerWaalsContact O-CA 3.28Å; K520-P524 WeakPolarHBondContact O-CA 3.28Å; K520-P524 WeakPolarHBondContact O-CB 3.48Å
521T70.2Confident79Confident113 Ų11367.8 Ų67.869%0.69334%0.335SS*.Hα-helixtrans-76.4-38.4-178-470000112.2R518 L519R518-T521 PolarHBondContact O-N 3.22Å; L519-T521 VanDerWaalsContact C-N 3.27Å; L519-T521 PolarHBondContact O-N 2.72Å
522I64.9Low77.7Confident10 Ų1069.2 Ų69.25%0.05135%0.345CS..Hα-helixtrans-91-33.2-175.6-65.8165.9000111.7E324 V377 F379 R518 L519 P524E324-I522 HydrophobicContact CG-CB 4.41Å; E324-I522 HydrophobicContact CG-CG1 4.4Å; E324-I522 HydrophobicContact CG-CG2 3.57Å; V377-I522 HydrophobicContact CG1-CD1 3.99Å; V377-I522 HydrophobicContact CG1-CG2 4.42Å; F379-I522 HydrophobicContact CD1-CB 3.96Å; F379-I522 HydrophobicContact CD1-CD1 3.86Å; F379-I522 HydrophobicContact CD1-CG2 3.54Å; F379-I522 HydrophobicContact CE1-CB 4.27Å; F379-I522 HydrophobicContact CE1-CG2 3.39Å; R518-I522 HydrophobicContact CB-CD1 3.67Å; R518-I522 HydrophobicContact CB-CG1 4.24Å; R518-I522 WeakPolarHBondContact O-CB 3.29Å; R518-I522 WeakPolarHBondContact O-CG1 3.21Å; R518-I522 PolarHBondContact O-N 3.25Å; L519-I522 PolarHBondContact O-N 3.23Å; I522-P524 VanDerWaalsContact C-CD 3.49Å
523L64.2Low76.3Confident24 Ų2474.1 Ų74.113%0.12637%0.37CS..  trans-129.661.1-174.1-56.3175.4000110.7E321 F379 N474 L519 N525 L526E321-L523 HydrophobicContact CB-CD2 3.15Å; E321-L523 HydrophobicContact CG-CD2 4.21Å; F379-L523 HydrophobicContact CD1-CD1 4.03Å; F379-L523 HydrophobicContact CD1-CG 4.29Å; F379-L523 HydrophobicContact CE1-CD1 3.61Å; F379-L523 HydrophobicContact CE1-CD2 4.08Å; F379-L523 HydrophobicContact CE1-CG 3.82Å; F379-L523 HydrophobicContact CZ-CD1 4.13Å; N474-L523 PolarHBondContact ND2-O 3.34Å; N474-L523 VanDerWaalsContact ND2-O 3.1Å; L519-L523 HydrophobicContact CD2-CD1 3.83Å; L519-L523 CarbonylContact O-C 3.59Å; L519-L523 VanDerWaalsContact O-C 3.26Å; L519-L523 WeakPolarHBondContact O-CA 3.01Å; L519-L523 VanDerWaalsContact O-CB 3.27Å; L519-L523 WeakPolarHBondContact O-CB 3.43Å; L519-L523 PolarHBondContact O-N 3.39Å; L523-N525 PolarHBondContact O-N 3.29Å; L523-L526 HydrophobicContact CB-CB 4.22Å; L523-L526 HydrophobicContact CB-CD1 3.92Å; L523-L526 HydrophobicContact CD1-CD1 3.61Å; L523-L526 HydrophobicContact CD2-CD1 4.02Å; L523-L526 HydrophobicContact CG-CD1 4.05Å
524P53.6Low74.7Confident69 Ų6975.5 Ų75.545%0.44838%0.375SS..THydrogen-bonded Turntrans-64-24.4-174.224.1-33.8000114.2K520 I522K520-P524 VanDerWaalsContact O-CA 3.28Å; K520-P524 WeakPolarHBondContact O-CA 3.28Å; K520-P524 WeakPolarHBondContact O-CB 3.48Å; I522-P524 VanDerWaalsContact C-CD 3.49Å
525N51.1Low73Confident146 Ų14681.8 Ų81.878%0.78141%0.406SS*.THydrogen-bonded Turntrans-104.711.7-171.4-64.6-27.6000114.5L523L523-N525 PolarHBondContact O-N 3.29Å
526L47.6Very low71.2Confident141 Ų14176.7 Ų76.774%0.73840%0.396SS*.  trans-85.70179.8-122.3155.4000112.7N474 L523N474-L526 PolarHBondContact ND2-O 2.77Å; N474-L526 PolarHBondContact OD1-O 3.39Å; L523-L526 HydrophobicContact CB-CB 4.22Å; L523-L526 HydrophobicContact CB-CD1 3.92Å; L523-L526 HydrophobicContact CD1-CD1 3.61Å; L523-L526 HydrophobicContact CD2-CD1 4.02Å; L523-L526 HydrophobicContact CG-CD1 4.05Å

Retrieved 526 of 526 residues in 212.8 ms (Link to these results)

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