A0A3Q0KS42_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A3Q0KS42, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 118 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
1M60.8Low74.9Confident198 Ų198107.2 Ų107.298%0.97558%0.581SS**  0-51.40-65.1-125.9-85.900112.7Q3 I4 L5M1-Q3 PolarHBondContact O-N 3.29Å; M1-I4 PolarHBondContact O-N 3.31Å; M1-L5 PolarHBondContact O-N 3.36Å
2A75.4Confident74Confident79 Ų79106.7 Ų106.765%0.65358%0.576SS**Hα-helixtrans-58.9-38.8179.700000115.1I4 L5 L6A2-I4 PolarHBondContact O-N 3.44Å; A2-L5 PolarHBondContact O-N 2.99Å; A2-L6 PolarHBondContact O-N 3.33Å
3Q76.6Confident73Confident167 Ų167105.7 Ų105.778%0.7857%0.569SS**Hα-helixtrans-62.8-39.2177.6-76.6175.7-23.700112.9M1 L6 V7M1-Q3 PolarHBondContact O-N 3.29Å; Q3-L6 PolarHBondContact O-N 3.36Å; Q3-V7 WeakPolarHBondContact O-CG2 3.49Å; Q3-V7 PolarHBondContact O-N 3.29Å
4I79.6Confident71.9Confident114 Ų114105.7 Ų105.759%0.58557%0.569SS**Hα-helixtrans-66.2-43.3178.2-63.2171.4000110M1 A2 L6 V7 I8M1-I4 PolarHBondContact O-N 3.31Å; A2-I4 PolarHBondContact O-N 3.44Å; I4-L6 VanDerWaalsContact C-N 3.33Å; I4-L6 PolarHBondContact O-N 3.44Å; I4-V7 PolarHBondContact O-N 3.25Å; I4-I8 HydrophobicContact CG2-CD1 3.68Å; I4-I8 HydrophobicContact CG2-CG1 4.33Å; I4-I8 WeakPolarHBondContact O-CB 3.29Å; I4-I8 VanDerWaalsContact O-CG1 3.28Å; I4-I8 WeakPolarHBondContact O-CG1 3.25Å; I4-I8 PolarHBondContact O-N 3.41Å
5L78.8Confident70.9Confident112 Ų112105.3 Ų105.359%0.58657%0.565SS**Hα-helixtrans-61.4-39.8175.7-76.5162.6000112.4M1 A2 S9M1-L5 PolarHBondContact O-N 3.36Å; A2-L5 PolarHBondContact O-N 2.99Å; L5-S9 WeakPolarHBondContact O-CB 3.49Å; L5-S9 PolarHBondContact O-N 2.93Å; L5-S9 PolarHBondContact O-OG 3.03Å
6L79.6Confident69.7Low111 Ų111105.7 Ų105.758%0.58157%0.567SS**Hα-helixtrans-63-47.6175.9-170.584.8000111.1A2 Q3 I4 S9 L10A2-L6 PolarHBondContact O-N 3.33Å; Q3-L6 PolarHBondContact O-N 3.36Å; I4-L6 VanDerWaalsContact C-N 3.33Å; I4-L6 PolarHBondContact O-N 3.44Å; L6-S9 PolarHBondContact O-N 3.28Å; L6-L10 HydrophobicContact CD2-CD1 4.36Å; L6-L10 HydrophobicContact CG-CD1 4.17Å; L6-L10 WeakPolarHBondContact O-CB 3.34Å; L6-L10 VanDerWaalsContact O-CG 3.31Å; L6-L10 WeakPolarHBondContact O-CG 3.28Å; L6-L10 PolarHBondContact O-N 2.87Å
7V81.6Confident68.7Low80 Ų80108.5 Ų108.549%0.48557%0.569SS.*Hα-helixtrans-63.5-45.7179.6173.20000111Q3 I4 S9 L10 I11Q3-V7 WeakPolarHBondContact O-CG2 3.49Å; Q3-V7 PolarHBondContact O-N 3.29Å; I4-V7 PolarHBondContact O-N 3.25Å; V7-S9 VanDerWaalsContact C-N 3.31Å; V7-S9 PolarHBondContact O-N 2.91Å; V7-L10 PolarHBondContact O-N 2.87Å; V7-I11 HydrophobicContact CG1-CD1 3.75Å; V7-I11 HydrophobicContact CG1-CG1 4.38Å; V7-I11 WeakPolarHBondContact O-CB 3.33Å; V7-I11 VanDerWaalsContact O-CG1 3.25Å; V7-I11 WeakPolarHBondContact O-CG1 3.31Å; V7-I11 PolarHBondContact O-N 3.25Å
8I78.6Confident68Low84 Ų84110.7 Ų110.743%0.43158%0.581SS.*Hα-helixtrans-60.5-42.7176.1-67.5169.5000110.6I4 I11 I12I4-I8 HydrophobicContact CG2-CD1 3.68Å; I4-I8 HydrophobicContact CG2-CG1 4.33Å; I4-I8 WeakPolarHBondContact O-CB 3.29Å; I4-I8 VanDerWaalsContact O-CG1 3.28Å; I4-I8 WeakPolarHBondContact O-CG1 3.25Å; I4-I8 PolarHBondContact O-N 3.41Å; I8-I11 PolarHBondContact O-N 2.72Å; I8-I12 HydrophobicContact CG2-CD1 3.75Å; I8-I12 HydrophobicContact CG2-CG1 4.36Å; I8-I12 VanDerWaalsContact O-CG1 3.29Å; I8-I12 WeakPolarHBondContact O-CG1 3.27Å; I8-I12 PolarHBondContact O-N 2.94Å
9S71.5Confident67.8Low59 Ų59110 Ų11041%0.41358%0.578SS.*Hα-helixtrans-63.3-43.3177.2-57.30000111.8L5 L6 V7 I11 I12 I13L5-S9 WeakPolarHBondContact O-CB 3.49Å; L5-S9 PolarHBondContact O-N 2.93Å; L5-S9 PolarHBondContact O-OG 3.03Å; L6-S9 PolarHBondContact O-N 3.28Å; V7-S9 VanDerWaalsContact C-N 3.31Å; V7-S9 PolarHBondContact O-N 2.91Å; S9-I11 VanDerWaalsContact C-N 3.34Å; S9-I11 PolarHBondContact O-N 3.34Å; S9-I12 PolarHBondContact O-N 3.2Å; S9-I13 WeakPolarHBondContact O-CB 3.44Å; S9-I13 WeakPolarHBondContact O-CD1 3.29Å; S9-I13 WeakPolarHBondContact O-CG1 3.42Å; S9-I13 PolarHBondContact O-N 3.22Å
10L71Confident68.6Low87 Ų87107.7 Ų107.746%0.45557%0.571SS.*Hα-helixtrans-64.3-37.5176-72.8169.3000112.2L6 V7 N14L6-L10 HydrophobicContact CD2-CD1 4.36Å; L6-L10 HydrophobicContact CG-CD1 4.17Å; L6-L10 WeakPolarHBondContact O-CB 3.34Å; L6-L10 VanDerWaalsContact O-CG 3.31Å; L6-L10 WeakPolarHBondContact O-CG 3.28Å; L6-L10 PolarHBondContact O-N 2.87Å; V7-L10 PolarHBondContact O-N 2.87Å; L10-N14 WeakPolarHBondContact O-CB 3.36Å; L10-N14 PolarHBondContact O-N 3.4Å; L10-N14 PolarHBondContact O-ND2 2.88Å
11I70.5Confident69.6Low88 Ų88103.2 Ų103.245%0.45155%0.547SS..Hα-helixtrans-66-48.5174.7-69.9167000110V7 I8 S9 I13 N14 I15V7-I11 HydrophobicContact CG1-CD1 3.75Å; V7-I11 HydrophobicContact CG1-CG1 4.38Å; V7-I11 WeakPolarHBondContact O-CB 3.33Å; V7-I11 VanDerWaalsContact O-CG1 3.25Å; V7-I11 WeakPolarHBondContact O-CG1 3.31Å; V7-I11 PolarHBondContact O-N 3.25Å; I8-I11 PolarHBondContact O-N 2.72Å; S9-I11 VanDerWaalsContact C-N 3.34Å; S9-I11 PolarHBondContact O-N 3.34Å; I11-I13 VanDerWaalsContact C-N 3.34Å; I11-I13 PolarHBondContact O-N 3.36Å; I11-N14 PolarHBondContact O-N 2.79Å; I11-I15 HydrophobicContact CG2-CD1 3.51Å; I11-I15 HydrophobicContact CG2-CG1 4.13Å; I11-I15 WeakPolarHBondContact O-CB 3.17Å; I11-I15 VanDerWaalsContact O-CG1 3.27Å; I11-I15 WeakPolarHBondContact O-CG1 3.4Å; I11-I15 PolarHBondContact O-N 3.3Å
12I64.6Low71.2Confident101 Ų10196.3 Ų96.352%0.51851%0.514SS..Hα-helixtrans-60.4-45.2178.5-68.6168.2000110.4I8 S9 N14 I15 N16I8-I12 HydrophobicContact CG2-CD1 3.75Å; I8-I12 HydrophobicContact CG2-CG1 4.36Å; I8-I12 VanDerWaalsContact O-CG1 3.29Å; I8-I12 WeakPolarHBondContact O-CG1 3.27Å; I8-I12 PolarHBondContact O-N 2.94Å; S9-I12 PolarHBondContact O-N 3.2Å; I12-N14 PolarHBondContact O-N 3.48Å; I12-I15 PolarHBondContact O-N 3.43Å; I12-N16 WeakPolarHBondContact O-CB 3.4Å; I12-N16 PolarHBondContact O-N 2.67Å
13I60.8Low72.1Confident94 Ų9492.5 Ų92.548%0.48248%0.483SS..Hα-helixtrans-60.1-46.3176.9-68.2163.3000110.3S9 I11 N16 Y17S9-I13 WeakPolarHBondContact O-CB 3.44Å; S9-I13 WeakPolarHBondContact O-CD1 3.29Å; S9-I13 WeakPolarHBondContact O-CG1 3.42Å; S9-I13 PolarHBondContact O-N 3.22Å; I11-I13 VanDerWaalsContact C-N 3.34Å; I11-I13 PolarHBondContact O-N 3.36Å; I13-N16 WeakPolarHBondContact O-CB 3.44Å; I13-N16 PolarHBondContact O-N 3.48Å; I13-Y17 HydrophobicContact CG2-CD2 4.31Å; I13-Y17 HydrophobicContact CG2-CE2 4.14Å; I13-Y17 VanDerWaalsContact O-CD2 3.29Å; I13-Y17 WeakPolarHBondContact O-CD2 3.48Å; I13-Y17 PolarHBondContact O-N 2.94Å
14N57.3Low73.1Confident106 Ų10685.8 Ų85.857%0.56745%0.451SS*.Hα-helixtrans-67.4-39.9178.5-89.9-65.7000113.6L10 I11 I12 N16 Y17 N18L10-N14 WeakPolarHBondContact O-CB 3.36Å; L10-N14 PolarHBondContact O-N 3.4Å; L10-N14 PolarHBondContact O-ND2 2.88Å; I11-N14 PolarHBondContact O-N 2.79Å; I12-N14 PolarHBondContact O-N 3.48Å; N14-N16 VanDerWaalsContact C-N 3.27Å; N14-N16 PolarHBondContact O-N 3.22Å; N14-Y17 WeakPolarHBondContact O-CB 3.48Å; N14-Y17 PolarHBondContact O-N 2.96Å; N14-Y17 VanDerWaalsContact O-N 3.13Å; N14-N18 PolarHBondContact O-N 3.03Å
15I56.7Low74Confident99 Ų9981.4 Ų81.451%0.50843%0.43SS..Hα-helixtrans-62.3-41.3175.7-69.8172.1000109.4I11 I12 Y17 N18 L19I11-I15 HydrophobicContact CG2-CD1 3.51Å; I11-I15 HydrophobicContact CG2-CG1 4.13Å; I11-I15 WeakPolarHBondContact O-CB 3.17Å; I11-I15 VanDerWaalsContact O-CG1 3.27Å; I11-I15 WeakPolarHBondContact O-CG1 3.4Å; I11-I15 PolarHBondContact O-N 3.3Å; I12-I15 PolarHBondContact O-N 3.43Å; I15-Y17 PolarHBondContact O-N 2.89Å; I15-N18 PolarHBondContact O-N 3.48Å; I15-L19 HydrophobicContact CG2-CD1 4.22Å; I15-L19 PolarHBondContact O-N 3.02Å
16N51.4Low74.8Confident112 Ų11276.3 Ų76.360%0.59940%0.404SS*.Hα-helixtrans-59.3-29.9176.5-125.40.3000112.6I12 I13 N14 N18I12-N16 WeakPolarHBondContact O-CB 3.4Å; I12-N16 PolarHBondContact O-N 2.67Å; I13-N16 WeakPolarHBondContact O-CB 3.44Å; I13-N16 PolarHBondContact O-N 3.48Å; N14-N16 VanDerWaalsContact C-N 3.27Å; N14-N16 PolarHBondContact O-N 3.22Å; N16-N18 VanDerWaalsContact C-N 3.34Å
17Y53.8Low75.5Confident153 Ų15377 Ų7760%0.641%0.407SS*.Hα-helixtrans-72.8-23.4174.5-89.6-78000114.1I13 N14 I15I13-Y17 HydrophobicContact CG2-CD2 4.31Å; I13-Y17 HydrophobicContact CG2-CE2 4.14Å; I13-Y17 VanDerWaalsContact O-CD2 3.29Å; I13-Y17 WeakPolarHBondContact O-CD2 3.48Å; I13-Y17 PolarHBondContact O-N 2.94Å; N14-Y17 WeakPolarHBondContact O-CB 3.48Å; N14-Y17 PolarHBondContact O-N 2.96Å; N14-Y17 VanDerWaalsContact O-N 3.13Å; I15-Y17 PolarHBondContact O-N 2.89Å
18N55.3Low76.1Confident148 Ų14876.7 Ų76.779%0.79140%0.403SS*.Hα-helixtrans-95.3-4.1178.4-90.7-17.4000113.7N14 I15 N16 S20N14-N18 PolarHBondContact O-N 3.03Å; I15-N18 PolarHBondContact O-N 3.48Å; N16-N18 VanDerWaalsContact C-N 3.34Å; N18-S20 PolarHBondContact O-N 2.94Å
19L65Low76.8Confident98 Ų9872.7 Ų72.751%0.51338%0.382SS..PPolyproline II helixtrans-67.2119.2173.4-94.2125.4000109.4I15I15-L19 HydrophobicContact CG2-CD1 4.22Å; I15-L19 PolarHBondContact O-N 3.02Å
20S82.6Confident77.8Confident64 Ų6471.1 Ų71.145%0.44837%0.371SS..PPolyproline II helixtrans-67.6131.7174.191.20000108.1N18 N45N18-S20 PolarHBondContact O-N 2.94Å; S20-N45 WeakPolarHBondContact CB-OD1 3.26Å; S20-N45 PolarHBondContact OG-OD1 3.28Å
21L89.9Confident78.6Confident14 Ų1472.8 Ų72.87%0.07338%0.38CS..EExtended strand (participates in β ladder)trans-98.2152.7-171.9-51.1174.4000110.7S44 N45 C46 K47 Q86L21-S44 CarbonylContact O-C 3.5Å; L21-N45 PolarHBondContact O-N 2.76Å; L21-C46 HydrophobicContact CB-CB 4.12Å; L21-C46 VanDerWaalsContact CB-O 3.28Å; L21-C46 WeakPolarHBondContact CB-O 3.4Å; L21-C46 WeakPolarHBondContact CG-O 3.36Å; L21-C46 PolarHBondContact N-O 3.29Å; L21-C46 WeakPolarHBondContact O-CB 3.27Å; L21-C46 PolarHBondContact O-N 3.44Å; L21-K47 WeakPolarHBondContact CD1-O 2.96Å; L21-Q86 HydrophobicContact CD1-CB 4.16Å
22D94.1Very high79.5Confident52 Ų5274 Ų7428%0.27839%0.393SS..EExtended strand (participates in β ladder)trans-98.2136.3163-60.3-48000109.4Y43 S44 C49 S88 Y89D22-Y43 CarbonylContact C-O 3.48Å; D22-Y43 VanDerWaalsContact CA-O 3.3Å; D22-Y43 WeakPolarHBondContact CA-O 3.38Å; D22-S44 WeakPolarHBondContact OD1-CA 3.46Å; D22-S44 WeakPolarHBondContact OD1-CB 3.46Å; D22-C49 PolarHBondContact O-SG 3.41Å; D22-S88 PolarHBondContact N-OG 3.17Å; D22-S88 CarbonylContact O-C 3.55Å; D22-S88 WeakPolarHBondContact O-CA 3.22Å; D22-Y89 HydrophobicContact CB-CD1 4.47Å; D22-Y89 HydrophobicContact CB-CD2 4.4Å; D22-Y89 HydrophobicContact CB-CE1 3.77Å; D22-Y89 HydrophobicContact CB-CE2 3.68Å; D22-Y89 WeakPolarHBondContact CB-OH 3.26Å; D22-Y89 PolarHBondContact O-N 3.17Å
23C95.8Very high80.9Confident0 Ų070.9 Ų70.90%038%0.376CS..EExtended strand (participates in β ladder)trans-132.6147.4-177.8-59.10000110.9N42 Y43 C46 C49 C64C23-N42 WeakPolarHBondContact O-CA 3.45Å; C23-Y43 PolarHBondContact N-O 3.08Å; C23-Y43 PolarHBondContact O-N 3.03Å; C23-C46 HydrophobicContact CB-CB 4.29Å; C23-C46 WeakPolarHBondContact SG-CB 3.48Å; C23-C49 VanDerWaalsContact CA-SG 3.53Å; C23-C49 HydrophobicContact CB-CB 3.58Å; C23-C49 WeakPolarHBondContact CB-SG 3.17Å; C23-C49 WeakPolarHBondContact SG-CA 3.08Å; C23-C49 WeakPolarHBondContact SG-CB 3.45Å; C23-C49 PolarHBondContact SG-N 3.45Å; C23-C49 CovalentContact SG-SG 2.02Å; C23-C49 PolarHBondContact SG-SG 3.22Å; C23-C64 HydrophobicContact CB-CB 4.35Å
24Y97.1Very high82.4Confident26 Ų2670.1 Ų70.110%0.10237%0.373CS..EExtended strand (participates in β ladder)trans-71.3140.3165.9-64.9-64.6000110.3F33 P35 V40 H41 N42 Y89 N91 E92Y24-F33 AromaticContact CD1-CZ 3.98Å; Y24-F33 HydrophobicContact CD1-CZ 3.98Å; Y24-F33 AromaticContact CD2-CE1 3.89Å; Y24-F33 HydrophobicContact CD2-CE1 3.89Å; Y24-F33 AromaticContact CD2-CZ 3.72Å; Y24-F33 HydrophobicContact CD2-CZ 3.72Å; Y24-F33 HydrophobicContact CE1-CZ 4.48Å; Y24-F33 AromaticContact CE2-CE1 3.99Å; Y24-F33 HydrophobicContact CE2-CE1 3.99Å; Y24-F33 HydrophobicContact CE2-CZ 4.22Å; Y24-F33 HydrophobicContact CG-CE1 4.18Å; Y24-F33 AromaticContact CG-CZ 3.58Å; Y24-F33 HydrophobicContact CG-CZ 3.58Å; Y24-P35 HydrophobicContact CD1-CB 4.39Å; Y24-P35 HydrophobicContact CE1-CB 3.56Å; Y24-P35 HydrophobicContact CE2-CB 4.44Å; Y24-P35 WeakPolarHBondContact OH-CB 3.05Å; Y24-V40 HydrophobicContact CD1-CG1 3.63Å; Y24-V40 HydrophobicContact CE1-CG1 4.44Å; Y24-V40 HydrophobicContact CG-CG1 4.22Å; Y24-H41 CarbonylContact C-O 3.43Å; Y24-H41 WeakPolarHBondContact CA-O 3.14Å; Y24-N42 WeakPolarHBondContact CD1-OD1 3.26Å; Y24-N42 VanDerWaalsContact CE1-OD1 3.25Å; Y24-N42 WeakPolarHBondContact CE1-OD1 3.47Å; Y24-Y89 HydrophobicContact CD1-CD1 4.07Å; Y24-Y89 HydrophobicContact CD1-CE1 4.47Å; Y24-Y89 AromaticContact CD2-CD1 3.95Å; Y24-Y89 HydrophobicContact CD2-CD1 3.95Å; Y24-Y89 AromaticContact CE1-CD1 3.77Å; Y24-Y89 HydrophobicContact CE1-CD1 3.77Å; Y24-Y89 HydrophobicContact CE1-CE1 4.17Å; Y24-Y89 AromaticContact CE2-CD1 3.67Å; Y24-Y89 HydrophobicContact CE2-CD1 3.67Å; Y24-Y89 AromaticContact CE2-CG 3.98Å; Y24-Y89 HydrophobicContact CE2-CG 3.98Å; Y24-Y89 HydrophobicContact CG-CD1 4.16Å; Y24-Y89 AromaticContact CZ-CD1 3.57Å; Y24-N91 PolarHBondContact N-OD1 3.34Å; Y24-N91 PolarHBondContact O-ND2 3.36Å; Y24-E92 HydrophobicContact CD2-CB 4Å; Y24-E92 HydrophobicContact CE2-CB 3.76Å; Y24-E92 HydrophobicContact CE2-CG 4.31Å
25S97.1Very high84.1Confident22 Ų2267.2 Ų67.215%0.15436%0.36CS..EExtended strand (participates in β ladder)trans-135.1133.1174-165.80000111.9H41 R62S25-H41 PolarHBondContact N-O 3.31Å; S25-H41 PolarHBondContact O-N 3.3Å; S25-R62 CarbonylContact C-O 3.24Å; S25-R62 WeakPolarHBondContact CA-O 3.36Å; S25-R62 PolarHBondContact OG-O 3.06Å
26C96.3Very high85.8Confident5 Ų567.6 Ų67.63%0.03437%0.371CS..BIsolated β-bridgetrans-165.3137.6177.533.60000109.5C29 L39 V40 I61 R62C26-C29 HydrophobicContact CB-CB 3.98Å; C26-C29 WeakPolarHBondContact CB-SG 3.32Å; C26-C29 PolarHBondContact O-SG 3.21Å; C26-C29 WeakPolarHBondContact SG-CB 3.3Å; C26-C29 CovalentContact SG-SG 2.01Å; C26-C29 PolarHBondContact SG-SG 2.74Å; C26-L39 WeakPolarHBondContact CB-O 3.19Å; C26-V40 HydrophobicContact CB-CG2 4.26Å; C26-I61 WeakPolarHBondContact O-CA 3.34Å; C26-I61 WeakPolarHBondContact O-CG2 3.35Å; C26-R62 PolarHBondContact N-O 3.39Å; C26-R62 PolarHBondContact O-N 3.08Å
27L94.9Very high87.9Confident124 Ų12463.1 Ų63.165%0.64935%0.349SS*.THydrogen-bonded Turntrans-81.2127.4162-79.2162.7000107.6C29 I61L27-C29 PolarHBondContact O-N 3.19Å; L27-I61 HydrophobicContact CD2-CD1 4.14Å; L27-I61 HydrophobicContact CD2-CG1 4.34Å; L27-I61 HydrophobicContact CD2-CG2 4.28Å
28L93.9Very high89.9Confident75 Ų7561.3 Ų61.339%0.39336%0.356SS..THydrogen-bonded Turntrans53.855.1-179.4-53.3178.3000112.6Y57 N59L28-Y57 HydrophobicContact CD2-CD1 4.45Å; L28-Y57 HydrophobicContact CD2-CD2 3.36Å; L28-Y57 HydrophobicContact CD2-CE2 4.03Å; L28-Y57 HydrophobicContact CD2-CG 3.6Å; L28-N59 HydrophobicContact CB-CB 4.04Å; L28-N59 HydrophobicContact CD2-CB 4.47Å
29C93.9Very high91.7Very high0 Ų059.2 Ų59.20%034%0.344CS..  trans-53.5145.6-178.2-54.50000112.6C26 L27 F33 N59 P60 R62C26-C29 HydrophobicContact CB-CB 3.98Å; C26-C29 WeakPolarHBondContact CB-SG 3.32Å; C26-C29 PolarHBondContact O-SG 3.21Å; C26-C29 WeakPolarHBondContact SG-CB 3.3Å; C26-C29 CovalentContact SG-SG 2.01Å; C26-C29 PolarHBondContact SG-SG 2.74Å; L27-C29 PolarHBondContact O-N 3.19Å; C29-F33 HydrophobicContact CB-CD2 4.31Å; C29-N59 VanDerWaalsContact O-CB 3.29Å; C29-N59 WeakPolarHBondContact O-CB 3.25Å; C29-N59 PolarHBondContact O-ND2 2.99Å; C29-P60 WeakPolarHBondContact CB-O 3.34Å; C29-P60 PolarHBondContact N-O 2.91Å; C29-P60 PolarHBondContact SG-O 3.43Å; C29-R62 VanDerWaalsContact CB-NH1 3.27Å; C29-R62 PolarHBondContact SG-N 3.13Å; C29-R62 VanDerWaalsContact SG-N 3.38Å
30P92.6Very high93.2Very high26 Ų2655.1 Ų55.117%0.16932%0.323CS..  trans-53.7147176.223.3-33.9000111.8P32 F33 N34 V40P30-P32 CarbonylContact C-O 3.53Å; P30-P32 VanDerWaalsContact C-O 3.24Å; P30-P32 CarbonylContact O-C 3.49Å; P30-F33 VanDerWaalsContact O-CA 3.26Å; P30-F33 WeakPolarHBondContact O-CA 3.28Å; P30-F33 PolarHBondContact O-N 3.36Å; P30-N34 HydrophobicContact CG-CB 4.35Å; P30-V40 HydrophobicContact CG-CG2 4.08Å
31N87.4Confident93.9Very high122 Ų12257.2 Ų57.265%0.65233%0.326SS*.SBendtrans-133.7113.8176-170.225.4000108.7N59N31-N59 WeakPolarHBondContact CB-ND2 2.97Å; N31-N59 PolarHBondContact N-ND2 3.46Å
32P90.1Very high94.2Very high113 Ų11360.8 Ų60.873%0.73435%0.345SS*.SBendcis-61.2151.62.328.2-35.4000112.4P30 N34P30-P32 CarbonylContact C-O 3.53Å; P30-P32 VanDerWaalsContact C-O 3.24Å; P30-P32 CarbonylContact O-C 3.49Å; P32-N34 PolarHBondContact O-N 2.72Å
33F92.5Very high94.3Very high36 Ų3664.3 Ų64.316%0.15836%0.355CS..  trans-64.5134.5-179.2-179.6-103.8000110.3Y24 C29 P30 P35 V40 R62 E92Y24-F33 AromaticContact CD1-CZ 3.98Å; Y24-F33 HydrophobicContact CD1-CZ 3.98Å; Y24-F33 AromaticContact CD2-CE1 3.89Å; Y24-F33 HydrophobicContact CD2-CE1 3.89Å; Y24-F33 AromaticContact CD2-CZ 3.72Å; Y24-F33 HydrophobicContact CD2-CZ 3.72Å; Y24-F33 HydrophobicContact CE1-CZ 4.48Å; Y24-F33 AromaticContact CE2-CE1 3.99Å; Y24-F33 HydrophobicContact CE2-CE1 3.99Å; Y24-F33 HydrophobicContact CE2-CZ 4.22Å; Y24-F33 HydrophobicContact CG-CE1 4.18Å; Y24-F33 AromaticContact CG-CZ 3.58Å; Y24-F33 HydrophobicContact CG-CZ 3.58Å; C29-F33 HydrophobicContact CB-CD2 4.31Å; P30-F33 VanDerWaalsContact O-CA 3.26Å; P30-F33 WeakPolarHBondContact O-CA 3.28Å; P30-F33 PolarHBondContact O-N 3.36Å; F33-P35 HydrophobicContact CE1-CB 3.89Å; F33-P35 HydrophobicContact CE1-CG 4.34Å; F33-P35 HydrophobicContact CZ-CB 4.3Å; F33-V40 HydrophobicContact CE2-CG1 4.04Å; F33-V40 HydrophobicContact CE2-CG2 3.8Å; F33-V40 HydrophobicContact CZ-CG1 3.88Å; F33-V40 HydrophobicContact CZ-CG2 4.34Å; F33-R62 VanDerWaalsContact CD2-NH1 3.26Å; F33-E92 HydrophobicContact CD1-CB 4.33Å; F33-E92 HydrophobicContact CD1-CG 3.69Å; F33-E92 HydrophobicContact CE1-CB 4.06Å; F33-E92 HydrophobicContact CE1-CG 3.73Å
34N92.1Very high94.1Very high78 Ų7867.7 Ų67.742%0.41738%0.379SS..  trans-131.2106.7177.5178.5-0.6000108.4P30 P32 S36 S37 V40P30-N34 HydrophobicContact CG-CB 4.35Å; P32-N34 PolarHBondContact O-N 2.72Å; N34-S36 PolarHBondContact O-N 3.05Å; N34-S36 WeakPolarHBondContact OD1-CB 3.44Å; N34-S36 PolarHBondContact OD1-N 3.08Å; N34-S37 WeakPolarHBondContact O-CB 3.42Å; N34-S37 PolarHBondContact O-N 3.23Å; N34-V40 WeakPolarHBondContact O-CG2 3.4Å
35P93Very high93.8Very high44 Ų4472.1 Ų72.129%0.28640%0.404SS..THydrogen-bonded Turntrans-66.5-20-179.926.7-33.5000113.2Y24 F33 S37Y24-P35 HydrophobicContact CD1-CB 4.39Å; Y24-P35 HydrophobicContact CE1-CB 3.56Å; Y24-P35 HydrophobicContact CE2-CB 4.44Å; Y24-P35 WeakPolarHBondContact OH-CB 3.05Å; F33-P35 HydrophobicContact CE1-CB 3.89Å; F33-P35 HydrophobicContact CE1-CG 4.34Å; F33-P35 HydrophobicContact CZ-CB 4.3Å; P35-S37 VanDerWaalsContact C-N 3.29Å
36S93.7Very high93.6Very high107 Ų10771.2 Ų71.275%0.74840%0.398SS*.THydrogen-bonded Turntrans-85.2-0.3174.2-54.70000113.2N34N34-S36 PolarHBondContact O-N 3.05Å; N34-S36 WeakPolarHBondContact OD1-CB 3.44Å; N34-S36 PolarHBondContact OD1-N 3.08Å
37S95Very high93.4Very high18 Ų1877.2 Ų77.213%0.12642%0.423CS..SBendtrans-66.1138.8176.7177.70000110.3N34 P35 L39 V40N34-S37 WeakPolarHBondContact O-CB 3.42Å; N34-S37 PolarHBondContact O-N 3.23Å; P35-S37 VanDerWaalsContact C-N 3.29Å; S37-L39 PolarHBondContact O-N 3.48Å; S37-L39 VanDerWaalsContact O-N 3.08Å; S37-L39 PolarHBondContact OG-N 3.23Å; S37-V40 PolarHBondContact O-N 3.41Å
38P95.2Very high93.4Very high115 Ų11574.2 Ų74.275%0.74740%0.403SS*.THydrogen-bonded Turntrans-63.9-15.4176.327.4-36.2000113.4V40P38-V40 VanDerWaalsContact C-N 3.27Å
39L94.5Very high93.4Very high105 Ų10570.6 Ų70.655%0.5539%0.385SS..THydrogen-bonded Turntrans-77.6-14.3174.3-60.5177.1000112.8C26 S37C26-L39 WeakPolarHBondContact CB-O 3.19Å; S37-L39 PolarHBondContact O-N 3.48Å; S37-L39 VanDerWaalsContact O-N 3.08Å; S37-L39 PolarHBondContact OG-N 3.23Å
40V96.7Very high93.5Very high12 Ų1270.6 Ų70.67%0.07339%0.385CS..  trans-103126.3-175.9-178.20000109.2Y24 C26 P30 F33 N34 S37 P38Y24-V40 HydrophobicContact CD1-CG1 3.63Å; Y24-V40 HydrophobicContact CE1-CG1 4.44Å; Y24-V40 HydrophobicContact CG-CG1 4.22Å; C26-V40 HydrophobicContact CB-CG2 4.26Å; P30-V40 HydrophobicContact CG-CG2 4.08Å; F33-V40 HydrophobicContact CE2-CG1 4.04Å; F33-V40 HydrophobicContact CE2-CG2 3.8Å; F33-V40 HydrophobicContact CZ-CG1 3.88Å; F33-V40 HydrophobicContact CZ-CG2 4.34Å; N34-V40 WeakPolarHBondContact O-CG2 3.4Å; S37-V40 PolarHBondContact O-N 3.41Å; P38-V40 VanDerWaalsContact C-N 3.27Å
41H97.2Very high93.6Very high107 Ų10770.8 Ų70.850%0.49538%0.383SS..EExtended strand (participates in β ladder)trans-116.8156.1174.9-56.4-55.8000110.2Y24 S25 Y43Y24-H41 CarbonylContact C-O 3.43Å; Y24-H41 WeakPolarHBondContact CA-O 3.14Å; S25-H41 PolarHBondContact N-O 3.31Å; S25-H41 PolarHBondContact O-N 3.3Å; H41-Y43 HydrophobicContact CB-CE2 4.16Å
42N95.2Very high94Very high90 Ų9065 Ų6548%0.48135%0.352SS..EExtended strand (participates in β ladder)trans-101.9132.7172.6-63-10.2000108.4C23 Y24 Y89C23-N42 WeakPolarHBondContact O-CA 3.45Å; Y24-N42 WeakPolarHBondContact CD1-OD1 3.26Å; Y24-N42 VanDerWaalsContact CE1-OD1 3.25Å; Y24-N42 WeakPolarHBondContact CE1-OD1 3.47Å; N42-Y89 HydrophobicContact CB-CE1 4.14Å
43Y95.4Very high94.3Very high125 Ų12562.8 Ų62.849%0.4933%0.332SS..EExtended strand (participates in β ladder)trans-116.2127.6172.7-83.1-94.6000109.1D22 C23 H41 C46 C64D22-Y43 CarbonylContact C-O 3.48Å; D22-Y43 VanDerWaalsContact CA-O 3.3Å; D22-Y43 WeakPolarHBondContact CA-O 3.38Å; C23-Y43 PolarHBondContact N-O 3.08Å; C23-Y43 PolarHBondContact O-N 3.03Å; H41-Y43 HydrophobicContact CB-CE2 4.16Å; Y43-C46 PolarHBondContact O-SG 3.21Å; Y43-C64 HydrophobicContact CG-CB 4.37Å
44S92.7Very high94.4Very high71 Ų7162 Ų6250%0.49733%0.33SS..EExtended strand (participates in β ladder)trans-92.5168.7175.762.40000111.6L21 D22 C46L21-S44 CarbonylContact O-C 3.5Å; D22-S44 WeakPolarHBondContact OD1-CA 3.46Å; D22-S44 WeakPolarHBondContact OD1-CB 3.46Å; S44-C46 VanDerWaalsContact C-N 3.32Å; S44-C46 PolarHBondContact O-N 3.47Å
45N91.4Very high94.5Very high119 Ų11962.6 Ų62.664%0.63634%0.338SS*.EExtended strand (participates in β ladder)trans62.333.8178.5-57.7-46.5000115.2S20 L21S20-N45 WeakPolarHBondContact CB-OD1 3.26Å; S20-N45 PolarHBondContact OG-OD1 3.28Å; L21-N45 PolarHBondContact O-N 2.76Å
46C92.4Very high94.5Very high3 Ų364.6 Ų64.62%0.0237%0.366CS..EExtended strand (participates in β ladder)trans-82.9145.1178.6-57.20000111.8L21 C23 Y43 S44 C64L21-C46 HydrophobicContact CB-CB 4.12Å; L21-C46 VanDerWaalsContact CB-O 3.28Å; L21-C46 WeakPolarHBondContact CB-O 3.4Å; L21-C46 WeakPolarHBondContact CG-O 3.36Å; L21-C46 PolarHBondContact N-O 3.29Å; L21-C46 WeakPolarHBondContact O-CB 3.27Å; L21-C46 PolarHBondContact O-N 3.44Å; C23-C46 HydrophobicContact CB-CB 4.29Å; C23-C46 WeakPolarHBondContact SG-CB 3.48Å; Y43-C46 PolarHBondContact O-SG 3.21Å; S44-C46 VanDerWaalsContact C-N 3.32Å; S44-C46 PolarHBondContact O-N 3.47Å; C46-C64 WeakPolarHBondContact CA-SG 3.38Å; C46-C64 HydrophobicContact CB-CB 4.01Å; C46-C64 WeakPolarHBondContact CB-SG 3.47Å; C46-C64 WeakPolarHBondContact SG-CB 3.3Å; C46-C64 CovalentContact SG-SG 2.01Å; C46-C64 PolarHBondContact SG-SG 3.39Å
47K92.3Very high94.5Very high131 Ų13165.2 Ų65.257%0.5735%0.353SS*.SBendtrans-87.3-33.5169.8-170.2171.1174.8-179.40112.2L21 P66L21-K47 WeakPolarHBondContact CD1-O 2.96Å; K47-P66 WeakPolarHBondContact CD-O 3.49Å
48W93.5Very high94.3Very high61 Ų6169.2 Ų69.223%0.23138%0.381CS..EExtended strand (participates in β ladder)trans-141.5140.6177.2-63.191000109.6T65 C68 C84 Q86W48-T65 HydrophobicContact CB-CG2 3.73Å; W48-T65 PolarHBondContact N-O 3.09Å; W48-T65 VanDerWaalsContact N-O 3.1Å; W48-T65 PolarHBondContact O-N 2.73Å; W48-C68 HydrophobicContact CD2-CB 3.68Å; W48-C68 HydrophobicContact CE3-CB 3.88Å; W48-C68 HydrophobicContact CG-CB 3.97Å; W48-C68 HydrophobicContact CZ2-CB 4.49Å; W48-C68 HydrophobicContact CZ3-CB 4.34Å; W48-C84 HydrophobicContact CB-CB 4.32Å; W48-C84 HydrophobicContact CD2-CB 4.34Å; W48-C84 HydrophobicContact CE3-CB 3.64Å; W48-C84 HydrophobicContact CZ3-CB 4.34Å; W48-Q86 HydrophobicContact CD2-CG 3.73Å; W48-Q86 HydrophobicContact CE3-CG 3.23Å; W48-Q86 HydrophobicContact CH2-CG 3.65Å; W48-Q86 VanDerWaalsContact CZ2-CD 3.45Å; W48-Q86 HydrophobicContact CZ2-CG 4.1Å; W48-Q86 VanDerWaalsContact CZ3-CD 3.41Å; W48-Q86 HydrophobicContact CZ3-CG 3.21Å
49C94.6Very high94.2Very high0 Ų065.6 Ų65.60%036%0.356CS..EExtended strand (participates in β ladder)trans-96.1124.1162.4-46.20000108.4D22 C23 C84 C85 C90 N91D22-C49 PolarHBondContact O-SG 3.41Å; C23-C49 VanDerWaalsContact CA-SG 3.53Å; C23-C49 HydrophobicContact CB-CB 3.58Å; C23-C49 WeakPolarHBondContact CB-SG 3.17Å; C23-C49 WeakPolarHBondContact SG-CA 3.08Å; C23-C49 WeakPolarHBondContact SG-CB 3.45Å; C23-C49 PolarHBondContact SG-N 3.45Å; C23-C49 CovalentContact SG-SG 2.02Å; C23-C49 PolarHBondContact SG-SG 3.22Å; C49-C84 VanDerWaalsContact O-CA 3.26Å; C49-C84 WeakPolarHBondContact O-CA 3.25Å; C49-C85 PolarHBondContact N-O 3.16Å; C49-C85 PolarHBondContact O-N 3.47Å; C49-C85 PolarHBondContact O-SG 2.94Å; C49-C90 WeakPolarHBondContact CB-SG 3.17Å; C49-N91 HydrophobicContact CB-CB 3.75Å
50A96Very high94.2Very high0 Ų061.3 Ų61.30%033%0.334CS..EExtended strand (participates in β ladder)trans-111.3150.2-17900000112.1L52 R62 Q63 T65 F73 Y83 N91A50-L52 HydrophobicContact CB-CD2 4.18Å; A50-R62 VanDerWaalsContact O-CA 3.27Å; A50-R62 WeakPolarHBondContact O-CA 3.16Å; A50-Q63 HydrophobicContact CB-CG 4.19Å; A50-Q63 PolarHBondContact N-O 2.87Å; A50-Q63 PolarHBondContact O-N 2.94Å; A50-T65 HydrophobicContact CB-CG2 3.75Å; A50-F73 HydrophobicContact CB-CE1 4.41Å; A50-F73 HydrophobicContact CB-CZ 3.96Å; A50-Y83 CarbonylContact C-O 3.44Å; A50-Y83 VanDerWaalsContact CA-O 3.22Å; A50-Y83 WeakPolarHBondContact CA-O 3.09Å; A50-N91 PolarHBondContact O-ND2 3.22Å; A50-N91 VanDerWaalsContact O-ND2 3.08Å
51K95.9Very high94.2Very high29 Ų2960.9 Ų60.913%0.12633%0.331CS..EExtended strand (participates in β ladder)trans-122.4123.9163.3-177.2-163.2-179.1-154.10107.6E53 P60 I61 R62 Y82 Y83 V94K51-E53 IonicContact NZ-OE1 2.85Å; K51-E53 PolarHBondContact NZ-OE1 3.49Å; K51-P60 HydrophobicContact CG-CB 4.06Å; K51-I61 CarbonylContact C-O 3.49Å; K51-I61 WeakPolarHBondContact CA-O 2.94Å; K51-R62 HydrophobicContact CB-CG 4.41Å; K51-R62 HydrophobicContact CG-CG 4.33Å; K51-Y82 WeakPolarHBondContact O-CA 3.49Å; K51-Y83 PolarHBondContact N-O 3.35Å; K51-Y83 PolarHBondContact O-N 3.21Å; K51-V94 HydrophobicContact CB-CG2 4.37Å; K51-V94 HydrophobicContact CD-CB 4.36Å; K51-V94 HydrophobicContact CD-CG2 4.47Å
52L95.5Very high94.2Very high0 Ų056.4 Ų56.40%031%0.31CS..EExtended strand (participates in β ladder)trans-112.5136.5178.4-41.7-178.5000110A50 P60 I61 F73 Y77 L80 R81 Y82A50-L52 HydrophobicContact CB-CD2 4.18Å; L52-P60 CarbonylContact O-C 3.55Å; L52-P60 VanDerWaalsContact O-CA 3.27Å; L52-P60 WeakPolarHBondContact O-CA 3.24Å; L52-P60 WeakPolarHBondContact O-CB 3.05Å; L52-I61 HydrophobicContact CB-CB 4.2Å; L52-I61 PolarHBondContact N-O 3.04Å; L52-I61 PolarHBondContact O-N 3.45Å; L52-F73 HydrophobicContact CD1-CD1 4.01Å; L52-F73 HydrophobicContact CD1-CE1 4.48Å; L52-F73 HydrophobicContact CD1-CG 4.41Å; L52-F73 HydrophobicContact CD2-CD1 3.97Å; L52-F73 HydrophobicContact CD2-CD2 4.03Å; L52-F73 HydrophobicContact CD2-CE1 3.98Å; L52-F73 HydrophobicContact CD2-CE2 4.01Å; L52-F73 HydrophobicContact CD2-CG 4.02Å; L52-F73 HydrophobicContact CD2-CZ 3.99Å; L52-Y77 HydrophobicContact CD1-CD2 3.87Å; L52-Y77 HydrophobicContact CD1-CE2 3.86Å; L52-L80 HydrophobicContact CB-CD1 4.13Å; L52-L80 HydrophobicContact CD1-CD1 4.16Å; L52-L80 HydrophobicContact CD2-CD1 3.83Å; L52-L80 HydrophobicContact CG-CD1 4.26Å; L52-R81 CarbonylContact C-O 3.57Å; L52-R81 WeakPolarHBondContact CA-O 3.47Å; L52-Y82 VanDerWaalsContact CD2-CB 3.45Å
53E94.9Very high94.2Very high68 Ų6854.2 Ų54.232%0.31830%0.297SS..EExtended strand (participates in β ladder)trans-115.8106.7172.5-65.8175.9176.300107.3K51 P60 L80 R81K51-E53 IonicContact NZ-OE1 2.85Å; K51-E53 PolarHBondContact NZ-OE1 3.49Å; E53-P60 HydrophobicContact CG-CB 4.36Å; E53-L80 CarbonylContact O-C 3.58Å; E53-L80 WeakPolarHBondContact O-CA 3.09Å; E53-R81 HydrophobicContact CB-CB 4.3Å; E53-R81 PolarHBondContact N-O 3.41Å; E53-R81 PolarHBondContact O-N 2.91Å
54V95.3Very high94.2Very high18 Ų1850.1 Ų50.111%0.10929%0.286CS..  trans-102.3124.8-176.4-177.30000108.2G56 Y57 I61 Y77 L80V54-G56 PolarHBondContact O-N 3.39Å; V54-Y57 HydrophobicContact CB-CD2 3.93Å; V54-Y57 HydrophobicContact CB-CE2 4.48Å; V54-Y57 HydrophobicContact CB-CG 4.22Å; V54-Y57 HydrophobicContact CG1-CD2 4.34Å; V54-Y57 HydrophobicContact CG2-CD2 4.44Å; V54-Y57 WeakPolarHBondContact O-CB 2.89Å; V54-Y57 PolarHBondContact O-N 2.87Å; V54-I61 HydrophobicContact CG2-CD1 4.06Å; V54-Y77 HydrophobicContact CG1-CD1 4.05Å; V54-Y77 HydrophobicContact CG2-CD1 3.73Å; V54-Y77 HydrophobicContact CG2-CD2 4.33Å; V54-Y77 HydrophobicContact CG2-CE1 4.3Å; V54-Y77 HydrophobicContact CG2-CG 3.75Å; V54-L80 HydrophobicContact CG2-CB 4.25Å
55P94.4Very high94.3Very high92 Ų9246.8 Ų46.860%0.59726%0.263SS*.THydrogen-bonded Turntrans-55.1133.1176.3-25.735.8000111.8Y57 K79P55-Y57 VanDerWaalsContact C-N 3.34Å; P55-K79 WeakPolarHBondContact CD-O 3.33Å; P55-K79 HydrophobicContact CG-CB 4.19Å
56G93Very high94.3Very high85 Ų8544.5 Ų44.588%0.87626%0.255SS*.THydrogen-bonded Turntrans92.2-16.1-176.400000114.2V54V54-G56 PolarHBondContact O-N 3.39Å
57Y92.8Very high94.4Very high120 Ų12049.2 Ų49.247%0.47127%0.272SS..  trans-90.8128.5170.9-68.93.3000109.4L28 V54 P55 N59 I61 Y77L28-Y57 HydrophobicContact CD2-CD1 4.45Å; L28-Y57 HydrophobicContact CD2-CD2 3.36Å; L28-Y57 HydrophobicContact CD2-CE2 4.03Å; L28-Y57 HydrophobicContact CD2-CG 3.6Å; V54-Y57 HydrophobicContact CB-CD2 3.93Å; V54-Y57 HydrophobicContact CB-CE2 4.48Å; V54-Y57 HydrophobicContact CB-CG 4.22Å; V54-Y57 HydrophobicContact CG1-CD2 4.34Å; V54-Y57 HydrophobicContact CG2-CD2 4.44Å; V54-Y57 WeakPolarHBondContact O-CB 2.89Å; V54-Y57 PolarHBondContact O-N 2.87Å; P55-Y57 VanDerWaalsContact C-N 3.34Å; Y57-N59 PolarHBondContact O-N 3.23Å; Y57-I61 HydrophobicContact CD2-CD1 4.03Å; Y57-I61 HydrophobicContact CD2-CG1 4.46Å; Y57-I61 HydrophobicContact CE2-CD1 3.98Å; Y57-Y77 HydrophobicContact CE2-CE1 4.25Å
58S91.3Very high94.4Very high103 Ų10344.8 Ų44.872%0.7226%0.257SS*.SBendtrans-68.5-23.7176.9530000112.7
59N94.1Very high94.4Very high39 Ų3943.7 Ų43.721%0.20926%0.256CS..SBendtrans-128140.3-169.1-74.277.8000110.4L28 C29 N31 Y57L28-N59 HydrophobicContact CB-CB 4.04Å; L28-N59 HydrophobicContact CD2-CB 4.47Å; C29-N59 VanDerWaalsContact O-CB 3.29Å; C29-N59 WeakPolarHBondContact O-CB 3.25Å; C29-N59 PolarHBondContact O-ND2 2.99Å; N31-N59 WeakPolarHBondContact CB-ND2 2.97Å; N31-N59 PolarHBondContact N-ND2 3.46Å; Y57-N59 PolarHBondContact O-N 3.23Å
60P94.6Very high94.4Very high15 Ų1548.2 Ų48.210%0.09728%0.275CS..  trans-71155.5-179.831.2-35.6000111.2C29 K51 L52 E53C29-P60 WeakPolarHBondContact CB-O 3.34Å; C29-P60 PolarHBondContact N-O 2.91Å; C29-P60 PolarHBondContact SG-O 3.43Å; K51-P60 HydrophobicContact CG-CB 4.06Å; L52-P60 CarbonylContact O-C 3.55Å; L52-P60 VanDerWaalsContact O-CA 3.27Å; L52-P60 WeakPolarHBondContact O-CA 3.24Å; L52-P60 WeakPolarHBondContact O-CB 3.05Å; E53-P60 HydrophobicContact CG-CB 4.36Å
61I96.3Very high94.4Very high3 Ų353.6 Ų53.62%0.01530%0.301CS..EExtended strand (participates in β ladder)trans-95.3141.6169.5-59.1168.1000107.5C26 L27 K51 L52 V54 Y57 Y77C26-I61 WeakPolarHBondContact O-CA 3.34Å; C26-I61 WeakPolarHBondContact O-CG2 3.35Å; L27-I61 HydrophobicContact CD2-CD1 4.14Å; L27-I61 HydrophobicContact CD2-CG1 4.34Å; L27-I61 HydrophobicContact CD2-CG2 4.28Å; K51-I61 CarbonylContact C-O 3.49Å; K51-I61 WeakPolarHBondContact CA-O 2.94Å; L52-I61 HydrophobicContact CB-CB 4.2Å; L52-I61 PolarHBondContact N-O 3.04Å; L52-I61 PolarHBondContact O-N 3.45Å; V54-I61 HydrophobicContact CG2-CD1 4.06Å; Y57-I61 HydrophobicContact CD2-CD1 4.03Å; Y57-I61 HydrophobicContact CD2-CG1 4.46Å; Y57-I61 HydrophobicContact CE2-CD1 3.98Å; I61-Y77 HydrophobicContact CD1-CE1 3.78Å; I61-Y77 HydrophobicContact CD1-CE2 3.98Å; I61-Y77 VanDerWaalsContact CD1-CZ 3.44Å; I61-Y77 WeakPolarHBondContact CD1-OH 3Å
62R96.5Very high94.4Very high13 Ų1356 Ų565%0.04931%0.31CS..EExtended strand (participates in β ladder)trans-122.2139.9169.5-70.4174.9174.886.6-9.7108.8S25 C26 C29 F33 A50 K51 N91 E92S25-R62 CarbonylContact C-O 3.24Å; S25-R62 WeakPolarHBondContact CA-O 3.36Å; S25-R62 PolarHBondContact OG-O 3.06Å; C26-R62 PolarHBondContact N-O 3.39Å; C26-R62 PolarHBondContact O-N 3.08Å; C29-R62 VanDerWaalsContact CB-NH1 3.27Å; C29-R62 PolarHBondContact SG-N 3.13Å; C29-R62 VanDerWaalsContact SG-N 3.38Å; F33-R62 VanDerWaalsContact CD2-NH1 3.26Å; A50-R62 VanDerWaalsContact O-CA 3.27Å; A50-R62 WeakPolarHBondContact O-CA 3.16Å; K51-R62 HydrophobicContact CB-CG 4.41Å; K51-R62 HydrophobicContact CG-CG 4.33Å; R62-N91 WeakPolarHBondContact CD-O 3.42Å; R62-N91 PolarHBondContact NE-O 3.32Å; R62-E92 PolarHBondContact NH2-O 2.81Å
63Q95.8Very high94.5Very high43 Ų4356.1 Ų56.120%0.20131%0.31CS..EExtended strand (participates in β ladder)trans-155.8148.7-179.762.1-175.514.600113.5A50A50-Q63 HydrophobicContact CB-CG 4.19Å; A50-Q63 PolarHBondContact N-O 2.87Å; A50-Q63 PolarHBondContact O-N 2.94Å
64C95.5Very high94.5Very high39 Ų3954.4 Ų54.426%0.26431%0.305SS..EExtended strand (participates in β ladder)trans-67.7130.7158.8-176.30000109.5C23 Y43 C46C23-C64 HydrophobicContact CB-CB 4.35Å; Y43-C64 HydrophobicContact CG-CB 4.37Å; C46-C64 WeakPolarHBondContact CA-SG 3.38Å; C46-C64 HydrophobicContact CB-CB 4.01Å; C46-C64 WeakPolarHBondContact CB-SG 3.47Å; C46-C64 WeakPolarHBondContact SG-CB 3.3Å; C46-C64 CovalentContact SG-SG 2.01Å; C46-C64 PolarHBondContact SG-SG 3.39Å
65T93.8Very high94.5Very high2 Ų261 Ų611%0.01233%0.332CS..EExtended strand (participates in β ladder)trans-144.2143.3-178.1177.10000113.1W48 A50 R67 Y72 F73W48-T65 HydrophobicContact CB-CG2 3.73Å; W48-T65 PolarHBondContact N-O 3.09Å; W48-T65 VanDerWaalsContact N-O 3.1Å; W48-T65 PolarHBondContact O-N 2.73Å; A50-T65 HydrophobicContact CB-CG2 3.75Å; T65-R67 VanDerWaalsContact C-N 3.29Å; T65-R67 WeakPolarHBondContact CG2-O 3.46Å; T65-R67 PolarHBondContact OG1-N 3.18Å; T65-R67 PolarHBondContact OG1-O 2.01Å; T65-Y72 WeakPolarHBondContact OG1-CE1 3.18Å; T65-F73 HydrophobicContact CG2-CE1 4.11Å; T65-F73 HydrophobicContact CG2-CZ 3.91Å
66P93.1Very high94.6Very high71 Ų7161.2 Ų61.246%0.46133%0.332SS..SBendtrans-73.5-21.6174.530.8-36.6000112.8K47 Y72K47-P66 WeakPolarHBondContact CD-O 3.49Å; P66-Y72 WeakPolarHBondContact CD-OH 3.4Å; P66-Y72 HydrophobicContact CG-CE2 3.92Å
67R92.9Very high94.7Very high101 Ų10158.7 Ų58.738%0.38130%0.297SS..  trans-133.1144.9-175.4-69.8-17964173-7111T65 D69 E71 Y72 F73T65-R67 VanDerWaalsContact C-N 3.29Å; T65-R67 WeakPolarHBondContact CG2-O 3.46Å; T65-R67 PolarHBondContact OG1-N 3.18Å; T65-R67 PolarHBondContact OG1-O 2.01Å; R67-D69 IonicContact CZ-OD1 3.79Å; R67-D69 IonicContact CZ-OD2 3.22Å; R67-D69 VanDerWaalsContact CZ-OD2 3.22Å; R67-D69 IonicContact NE-OD1 3.83Å; R67-D69 IonicContact NE-OD2 2.76Å; R67-D69 PolarHBondContact NE-OD2 2.8Å; R67-D69 VanDerWaalsContact NH2-CG 3.28Å; R67-D69 IonicContact NH2-OD1 3.44Å; R67-D69 PolarHBondContact NH2-OD1 2.02Å; R67-D69 VanDerWaalsContact NH2-OD1 3.16Å; R67-D69 IonicContact NH2-OD2 3.16Å; R67-D69 PolarHBondContact NH2-OD2 3.48Å; R67-E71 IonicContact NH2-OE2 2.74Å; R67-E71 PolarHBondContact NH2-OE2 3.1Å; R67-Y72 HydrophobicContact CB-CD1 4.26Å; R67-Y72 HydrophobicContact CB-CD2 3.98Å; R67-Y72 HydrophobicContact CB-CG 3.78Å; R67-Y72 HydrophobicContact CG-CD2 4.34Å; R67-F73 WeakPolarHBondContact O-CZ 3.16Å
68C92.8Very high94.8Very high38 Ų3857.6 Ų57.626%0.25731%0.305SS..  trans-119.475.4171.5-176.40000109.6W48 C84W48-C68 HydrophobicContact CD2-CB 3.68Å; W48-C68 HydrophobicContact CE3-CB 3.88Å; W48-C68 HydrophobicContact CG-CB 3.97Å; W48-C68 HydrophobicContact CZ2-CB 4.49Å; W48-C68 HydrophobicContact CZ3-CB 4.34Å; C68-C84 HydrophobicContact CB-CB 3.57Å; C68-C84 WeakPolarHBondContact CB-SG 3.32Å; C68-C84 WeakPolarHBondContact SG-CB 3.27Å; C68-C84 CovalentContact SG-SG 2.01Å; C68-C84 PolarHBondContact SG-SG 3.36Å
69D93.6Very high95Very high39 Ų3960.5 Ų60.521%0.20930%0.304CS..SBendtrans-150158.2175.659.171.9000110.4R67 E71 Y72 F73R67-D69 IonicContact CZ-OD1 3.79Å; R67-D69 IonicContact CZ-OD2 3.22Å; R67-D69 VanDerWaalsContact CZ-OD2 3.22Å; R67-D69 IonicContact NE-OD1 3.83Å; R67-D69 IonicContact NE-OD2 2.76Å; R67-D69 PolarHBondContact NE-OD2 2.8Å; R67-D69 VanDerWaalsContact NH2-CG 3.28Å; R67-D69 IonicContact NH2-OD1 3.44Å; R67-D69 PolarHBondContact NH2-OD1 2.02Å; R67-D69 VanDerWaalsContact NH2-OD1 3.16Å; R67-D69 IonicContact NH2-OD2 3.16Å; R67-D69 PolarHBondContact NH2-OD2 3.48Å; D69-E71 VanDerWaalsContact C-N 3.33Å; D69-E71 PolarHBondContact O-N 3.04Å; D69-E71 PolarHBondContact OD1-N 2.94Å; D69-Y72 PolarHBondContact O-N 3.19Å; D69-Y72 WeakPolarHBondContact OD1-CB 2.93Å; D69-Y72 PolarHBondContact OD1-N 3.07Å; D69-F73 WeakPolarHBondContact O-CD2 3.45Å; D69-F73 PolarHBondContact O-N 3.43Å
70F94.1Very high95Very high94 Ų9459.7 Ų59.741%0.41230%0.3SS..Hα-helixtrans-62.3-40.5-176.8179.6-104.6000112.1Y72 F73 S74 L80 Y82F70-Y72 VanDerWaalsContact C-N 3.28Å; F70-Y72 PolarHBondContact O-N 3.49Å; F70-F73 PolarHBondContact O-N 2.89Å; F70-S74 WeakPolarHBondContact O-CB 2.96Å; F70-S74 PolarHBondContact O-N 3.07Å; F70-S74 PolarHBondContact O-OG 2.81Å; F70-S74 VanDerWaalsContact O-OG 3.07Å; F70-L80 HydrophobicContact CD2-CD2 3.83Å; F70-L80 HydrophobicContact CE2-CD2 3.63Å; F70-Y82 HydrophobicContact CB-CE1 3.75Å; F70-Y82 HydrophobicContact CD2-CE1 4.18Å; F70-Y82 HydrophobicContact CG-CE1 4.48Å; F70-Y82 PolarHBondContact N-OH 3.12Å
71E95.9Very high95Very high114 Ų11467 Ų6753%0.53333%0.325SS..Hα-helixtrans-60.3-37.8-178.1-168.2-159.2163.900112R67 D69 S74R67-E71 IonicContact NH2-OE2 2.74Å; R67-E71 PolarHBondContact NH2-OE2 3.1Å; D69-E71 VanDerWaalsContact C-N 3.33Å; D69-E71 PolarHBondContact O-N 3.04Å; D69-E71 PolarHBondContact OD1-N 2.94Å; E71-S74 PolarHBondContact O-OG 3.27Å
72Y96.4Very high94.9Very high79 Ų7970.5 Ų70.531%0.3134%0.339SS..Hα-helixtrans-64.8-49.5175.7-178.9-98.9000111.9T65 P66 R67 D69 F70T65-Y72 WeakPolarHBondContact OG1-CE1 3.18Å; P66-Y72 WeakPolarHBondContact CD-OH 3.4Å; P66-Y72 HydrophobicContact CG-CE2 3.92Å; R67-Y72 HydrophobicContact CB-CD1 4.26Å; R67-Y72 HydrophobicContact CB-CD2 3.98Å; R67-Y72 HydrophobicContact CB-CG 3.78Å; R67-Y72 HydrophobicContact CG-CD2 4.34Å; D69-Y72 PolarHBondContact O-N 3.19Å; D69-Y72 WeakPolarHBondContact OD1-CB 2.93Å; D69-Y72 PolarHBondContact OD1-N 3.07Å; F70-Y72 VanDerWaalsContact C-N 3.28Å; F70-Y72 PolarHBondContact O-N 3.49Å
73F97Very high94.8Very high3 Ų372.8 Ų72.81%0.01335%0.348CS..Hα-helixtrans-76.5-30.1-177.2-58.1-54.4000113.5A50 L52 T65 R67 D69 F70 K75 T76 Y77 L80 Y82A50-F73 HydrophobicContact CB-CE1 4.41Å; A50-F73 HydrophobicContact CB-CZ 3.96Å; L52-F73 HydrophobicContact CD1-CD1 4.01Å; L52-F73 HydrophobicContact CD1-CE1 4.48Å; L52-F73 HydrophobicContact CD1-CG 4.41Å; L52-F73 HydrophobicContact CD2-CD1 3.97Å; L52-F73 HydrophobicContact CD2-CD2 4.03Å; L52-F73 HydrophobicContact CD2-CE1 3.98Å; L52-F73 HydrophobicContact CD2-CE2 4.01Å; L52-F73 HydrophobicContact CD2-CG 4.02Å; L52-F73 HydrophobicContact CD2-CZ 3.99Å; T65-F73 HydrophobicContact CG2-CE1 4.11Å; T65-F73 HydrophobicContact CG2-CZ 3.91Å; R67-F73 WeakPolarHBondContact O-CZ 3.16Å; D69-F73 WeakPolarHBondContact O-CD2 3.45Å; D69-F73 PolarHBondContact O-N 3.43Å; F70-F73 PolarHBondContact O-N 2.89Å; F73-K75 PolarHBondContact O-N 3.04Å; F73-T76 PolarHBondContact O-N 2.01Å; F73-T76 VanDerWaalsContact O-N 3.07Å; F73-Y77 PolarHBondContact O-N 3.39Å; F73-L80 HydrophobicContact CB-CD1 3.52Å; F73-L80 HydrophobicContact CB-CD2 3.9Å; F73-L80 HydrophobicContact CB-CG 4.38Å; F73-L80 HydrophobicContact CD2-CD1 4.17Å; F73-L80 HydrophobicContact CG-CD1 4Å; F73-Y82 HydrophobicContact CD2-CD1 4.06Å; F73-Y82 AromaticContact CD2-CD2 3.9Å; F73-Y82 HydrophobicContact CD2-CD2 3.9Å; F73-Y82 HydrophobicContact CD2-CE2 4.5Å; F73-Y82 AromaticContact CD2-CG 3.64Å; F73-Y82 HydrophobicContact CD2-CG 3.64Å; F73-Y82 AromaticContact CE2-CD2 3.53Å; F73-Y82 HydrophobicContact CE2-CD2 3.53Å; F73-Y82 HydrophobicContact CE2-CE2 4.21Å; F73-Y82 AromaticContact CE2-CG 3.7Å; F73-Y82 HydrophobicContact CE2-CG 3.7Å
74S95.9Very high94.7Very high31 Ų3172.2 Ų72.222%0.21735%0.348CS..Hα-helixtrans-69-19.2-174.466.90000113.6F70 E71 T76 Y77F70-S74 WeakPolarHBondContact O-CB 2.96Å; F70-S74 PolarHBondContact O-N 3.07Å; F70-S74 PolarHBondContact O-OG 2.81Å; F70-S74 VanDerWaalsContact O-OG 3.07Å; E71-S74 PolarHBondContact O-OG 3.27Å; S74-T76 PolarHBondContact O-N 2.75Å; S74-Y77 WeakPolarHBondContact CA-O 3.18Å
75K95.8Very high94.5Very high156 Ų15671.3 Ų71.368%0.67834%0.342SS*.THydrogen-bonded Turntrans-57.5-33.2169.5-68.1178.7-175.7-175.40112.6F73F73-K75 PolarHBondContact O-N 3.04Å
76T95.6Very high94.3Very high97 Ų9774.5 Ų74.560%0.59536%0.357SS*.THydrogen-bonded Turntrans-105.1-38.8178.9-50.20000111.7F73 S74F73-T76 PolarHBondContact O-N 2.01Å; F73-T76 VanDerWaalsContact O-N 3.07Å; S74-T76 PolarHBondContact O-N 2.75Å
77Y95.5Very high94.1Very high32 Ų3277.2 Ų77.213%0.12536%0.359CS..  trans-124.185.7-176.4-52.7-67.3000110.2L52 V54 Y57 I61 F73 S74 K79 L80L52-Y77 HydrophobicContact CD1-CD2 3.87Å; L52-Y77 HydrophobicContact CD1-CE2 3.86Å; V54-Y77 HydrophobicContact CG1-CD1 4.05Å; V54-Y77 HydrophobicContact CG2-CD1 3.73Å; V54-Y77 HydrophobicContact CG2-CD2 4.33Å; V54-Y77 HydrophobicContact CG2-CE1 4.3Å; V54-Y77 HydrophobicContact CG2-CG 3.75Å; Y57-Y77 HydrophobicContact CE2-CE1 4.25Å; I61-Y77 HydrophobicContact CD1-CE1 3.78Å; I61-Y77 HydrophobicContact CD1-CE2 3.98Å; I61-Y77 VanDerWaalsContact CD1-CZ 3.44Å; I61-Y77 WeakPolarHBondContact CD1-OH 3Å; F73-Y77 PolarHBondContact O-N 3.39Å; S74-Y77 WeakPolarHBondContact CA-O 3.18Å; Y77-K79 PolarHBondContact O-N 3.06Å; Y77-L80 WeakPolarHBondContact O-CD2 3.47Å
78P93.9Very high94Very high98 Ų9874.9 Ų74.964%0.63636%0.358SS*.SBendtrans-56.5-25.8-173.1-28.135000114.8
79K95.3Very high94Very high163 Ų16376.6 Ų76.671%0.70936%0.36SS*.SBendtrans-123.7121.3171.3-64179.9-179177.10107.8P55 Y77P55-K79 WeakPolarHBondContact CD-O 3.33Å; P55-K79 HydrophobicContact CG-CB 4.19Å; Y77-K79 PolarHBondContact O-N 3.06Å
80L95Very high93.9Very high22 Ų2274.9 Ų74.912%0.11535%0.351CS..  trans-157.5162.3174.277152.4000111.4L52 E53 V54 F70 F73 Y77 Y82L52-L80 HydrophobicContact CB-CD1 4.13Å; L52-L80 HydrophobicContact CD1-CD1 4.16Å; L52-L80 HydrophobicContact CD2-CD1 3.83Å; L52-L80 HydrophobicContact CG-CD1 4.26Å; E53-L80 CarbonylContact O-C 3.58Å; E53-L80 WeakPolarHBondContact O-CA 3.09Å; V54-L80 HydrophobicContact CG2-CB 4.25Å; F70-L80 HydrophobicContact CD2-CD2 3.83Å; F70-L80 HydrophobicContact CE2-CD2 3.63Å; F73-L80 HydrophobicContact CB-CD1 3.52Å; F73-L80 HydrophobicContact CB-CD2 3.9Å; F73-L80 HydrophobicContact CB-CG 4.38Å; F73-L80 HydrophobicContact CD2-CD1 4.17Å; F73-L80 HydrophobicContact CG-CD1 4Å; Y77-L80 WeakPolarHBondContact O-CD2 3.47Å; L80-Y82 HydrophobicContact CD1-CD1 4.3Å; L80-Y82 HydrophobicContact CG-CD1 4.42Å
81R95Very high93.9Very high169 Ų16970.4 Ų70.464%0.63833%0.331SS*.EExtended strand (participates in β ladder)trans-106.5141.5153.1-64.7177.9176.3176.1-1.3108L52 E53 Y83L52-R81 CarbonylContact C-O 3.57Å; L52-R81 WeakPolarHBondContact CA-O 3.47Å; E53-R81 HydrophobicContact CB-CB 4.3Å; E53-R81 PolarHBondContact N-O 3.41Å; E53-R81 PolarHBondContact O-N 2.91Å; R81-Y83 HydrophobicContact CB-CE2 4.39Å
82Y94.2Very high93.7Very high77 Ų7768.4 Ų68.430%0.30232%0.322SS..EExtended strand (participates in β ladder)trans-132.6148.3177.964.9-82.5000110.2K51 L52 F70 F73 L80K51-Y82 WeakPolarHBondContact O-CA 3.49Å; L52-Y82 VanDerWaalsContact CD2-CB 3.45Å; F70-Y82 HydrophobicContact CB-CE1 3.75Å; F70-Y82 HydrophobicContact CD2-CE1 4.18Å; F70-Y82 HydrophobicContact CG-CE1 4.48Å; F70-Y82 PolarHBondContact N-OH 3.12Å; F73-Y82 HydrophobicContact CD2-CD1 4.06Å; F73-Y82 AromaticContact CD2-CD2 3.9Å; F73-Y82 HydrophobicContact CD2-CD2 3.9Å; F73-Y82 HydrophobicContact CD2-CE2 4.5Å; F73-Y82 AromaticContact CD2-CG 3.64Å; F73-Y82 HydrophobicContact CD2-CG 3.64Å; F73-Y82 AromaticContact CE2-CD2 3.53Å; F73-Y82 HydrophobicContact CE2-CD2 3.53Å; F73-Y82 HydrophobicContact CE2-CE2 4.21Å; F73-Y82 AromaticContact CE2-CG 3.7Å; F73-Y82 HydrophobicContact CE2-CG 3.7Å; L80-Y82 HydrophobicContact CD1-CD1 4.3Å; L80-Y82 HydrophobicContact CG-CD1 4.42Å
83Y94.2Very high92.5Very high61 Ų6168.3 Ų68.324%0.23933%0.333CS..EExtended strand (participates in β ladder)trans-132.5134.1174.2-55.7-82.6000107.2A50 K51 R81 V94 I96A50-Y83 CarbonylContact C-O 3.44Å; A50-Y83 VanDerWaalsContact CA-O 3.22Å; A50-Y83 WeakPolarHBondContact CA-O 3.09Å; K51-Y83 PolarHBondContact N-O 3.35Å; K51-Y83 PolarHBondContact O-N 3.21Å; R81-Y83 HydrophobicContact CB-CE2 4.39Å; Y83-V94 HydrophobicContact CD1-CG1 4.34Å; Y83-V94 HydrophobicContact CG-CG1 4.13Å; Y83-I96 HydrophobicContact CD1-CD1 4.12Å; Y83-I96 HydrophobicContact CD1-CG1 4.33Å; Y83-I96 HydrophobicContact CE1-CD1 3.3Å; Y83-I96 HydrophobicContact CE1-CG1 3.96Å; Y83-I96 HydrophobicContact CE2-CD1 4.4Å; Y83-I96 VanDerWaalsContact CZ-CD1 3.47Å; Y83-I96 WeakPolarHBondContact OH-CD1 3.4Å
84C93.4Very high90.7Very high31 Ų3170 Ų7021%0.20934%0.343CS..EExtended strand (participates in β ladder)trans-129.9158.5172.3-33.50000111.1W48 C49 C68W48-C84 HydrophobicContact CB-CB 4.32Å; W48-C84 HydrophobicContact CD2-CB 4.34Å; W48-C84 HydrophobicContact CE3-CB 3.64Å; W48-C84 HydrophobicContact CZ3-CB 4.34Å; C49-C84 VanDerWaalsContact O-CA 3.26Å; C49-C84 WeakPolarHBondContact O-CA 3.25Å; C68-C84 HydrophobicContact CB-CB 3.57Å; C68-C84 WeakPolarHBondContact CB-SG 3.32Å; C68-C84 WeakPolarHBondContact SG-CB 3.27Å; C68-C84 CovalentContact SG-SG 2.01Å; C68-C84 PolarHBondContact SG-SG 3.36Å
85C91.6Very high88.5Confident20 Ų2075.2 Ų75.214%0.13536%0.364CS..EExtended strand (participates in β ladder)trans-149.4161.1179.547.60000109.4C49 Y87 C90C49-C85 PolarHBondContact N-O 3.16Å; C49-C85 PolarHBondContact O-N 3.47Å; C49-C85 PolarHBondContact O-SG 2.94Å; C85-Y87 HydrophobicContact CB-CD1 4.43Å; C85-Y87 HydrophobicContact CB-CE1 4.11Å; C85-C90 HydrophobicContact CB-CB 3.67Å; C85-C90 WeakPolarHBondContact CB-SG 3.26Å; C85-C90 PolarHBondContact O-SG 3.02Å; C85-C90 WeakPolarHBondContact SG-CB 2.97Å; C85-C90 CovalentContact SG-SG 2.01Å; C85-C90 PolarHBondContact SG-SG 2.01Å
86Q89.7Confident86.4Confident69 Ų6971.4 Ų71.432%0.32235%0.35SS..SBendtrans-125.556-173.8-59.7-171.8-82.900112.1L21 W48L21-Q86 HydrophobicContact CD1-CB 4.16Å; W48-Q86 HydrophobicContact CD2-CG 3.73Å; W48-Q86 HydrophobicContact CE3-CG 3.23Å; W48-Q86 HydrophobicContact CH2-CG 3.65Å; W48-Q86 VanDerWaalsContact CZ2-CD 3.45Å; W48-Q86 HydrophobicContact CZ2-CG 4.1Å; W48-Q86 VanDerWaalsContact CZ3-CD 3.41Å; W48-Q86 HydrophobicContact CZ3-CG 3.21Å
87Y88.4Confident83.9Confident127 Ų12776.3 Ų76.350%0.49836%0.358SS..SBendtrans-146.2153.616558.7-84.4000108.3C85 Y89 C90C85-Y87 HydrophobicContact CB-CD1 4.43Å; C85-Y87 HydrophobicContact CB-CE1 4.11Å; Y87-Y89 PolarHBondContact O-N 2.95Å; Y87-C90 HydrophobicContact CD1-CB 3.47Å; Y87-C90 VanDerWaalsContact CD1-CB 3.47Å; Y87-C90 HydrophobicContact CD2-CB 3.33Å; Y87-C90 HydrophobicContact CE1-CB 3.26Å; Y87-C90 HydrophobicContact CE2-CB 3.12Å; Y87-C90 HydrophobicContact CG-CB 3.5Å; Y87-C90 VanDerWaalsContact CG-CB 3.5Å; Y87-C90 WeakPolarHBondContact O-CB 3.22Å; Y87-C90 PolarHBondContact O-N 3.37Å; Y87-C90 PolarHBondContact O-SG 2.87Å
88S91.2Very high81.4Confident53 Ų5376.9 Ų76.937%0.37137%0.369SS..THydrogen-bonded Turntrans-57.9137-176.3-640000111.3D22 C90D22-S88 PolarHBondContact N-OG 3.17Å; D22-S88 CarbonylContact O-C 3.55Å; D22-S88 WeakPolarHBondContact O-CA 3.22Å; S88-C90 PolarHBondContact O-N 2.91Å
89Y93Very high79.3Confident73 Ų7377 Ų7729%0.28636%0.363SS..THydrogen-bonded Turntrans60.413.3177.4-55.8-65.8000115D22 Y24 N42 Y87 N91 E92D22-Y89 HydrophobicContact CB-CD1 4.47Å; D22-Y89 HydrophobicContact CB-CD2 4.4Å; D22-Y89 HydrophobicContact CB-CE1 3.77Å; D22-Y89 HydrophobicContact CB-CE2 3.68Å; D22-Y89 WeakPolarHBondContact CB-OH 3.26Å; D22-Y89 PolarHBondContact O-N 3.17Å; Y24-Y89 HydrophobicContact CD1-CD1 4.07Å; Y24-Y89 HydrophobicContact CD1-CE1 4.47Å; Y24-Y89 AromaticContact CD2-CD1 3.95Å; Y24-Y89 HydrophobicContact CD2-CD1 3.95Å; Y24-Y89 AromaticContact CE1-CD1 3.77Å; Y24-Y89 HydrophobicContact CE1-CD1 3.77Å; Y24-Y89 HydrophobicContact CE1-CE1 4.17Å; Y24-Y89 AromaticContact CE2-CD1 3.67Å; Y24-Y89 HydrophobicContact CE2-CD1 3.67Å; Y24-Y89 AromaticContact CE2-CG 3.98Å; Y24-Y89 HydrophobicContact CE2-CG 3.98Å; Y24-Y89 HydrophobicContact CG-CD1 4.16Å; Y24-Y89 AromaticContact CZ-CD1 3.57Å; N42-Y89 HydrophobicContact CB-CE1 4.14Å; Y87-Y89 PolarHBondContact O-N 2.95Å; Y89-N91 PolarHBondContact O-N 3.38Å; Y89-E92 VanDerWaalsContact O-CB 3.32Å; Y89-E92 WeakPolarHBondContact O-CB 2.83Å; Y89-E92 PolarHBondContact O-N 2.82Å; Y89-E92 VanDerWaalsContact O-N 3.07Å
90C91.6Very high77.2Confident3 Ų373.4 Ų73.42%0.0235%0.352CS..THydrogen-bonded Turntrans-60.7-22-176.166.70000115.3C49 C85 Y87 S88 E92C49-C90 WeakPolarHBondContact CB-SG 3.17Å; C85-C90 HydrophobicContact CB-CB 3.67Å; C85-C90 WeakPolarHBondContact CB-SG 3.26Å; C85-C90 PolarHBondContact O-SG 3.02Å; C85-C90 WeakPolarHBondContact SG-CB 2.97Å; C85-C90 CovalentContact SG-SG 2.01Å; C85-C90 PolarHBondContact SG-SG 2.01Å; Y87-C90 HydrophobicContact CD1-CB 3.47Å; Y87-C90 VanDerWaalsContact CD1-CB 3.47Å; Y87-C90 HydrophobicContact CD2-CB 3.33Å; Y87-C90 HydrophobicContact CE1-CB 3.26Å; Y87-C90 HydrophobicContact CE2-CB 3.12Å; Y87-C90 HydrophobicContact CG-CB 3.5Å; Y87-C90 VanDerWaalsContact CG-CB 3.5Å; Y87-C90 WeakPolarHBondContact O-CB 3.22Å; Y87-C90 PolarHBondContact O-N 3.37Å; Y87-C90 PolarHBondContact O-SG 2.87Å; S88-C90 PolarHBondContact O-N 2.91Å; C90-E92 PolarHBondContact O-N 3.08Å
91N93.7Very high75Confident0 Ų078.1 Ų78.10%037%0.373CS..THydrogen-bonded Turntrans-81.62.7-179.965.6-17.9000113.4Y24 C49 A50 R62 Y89Y24-N91 PolarHBondContact N-OD1 3.34Å; Y24-N91 PolarHBondContact O-ND2 3.36Å; C49-N91 HydrophobicContact CB-CB 3.75Å; A50-N91 PolarHBondContact O-ND2 3.22Å; A50-N91 VanDerWaalsContact O-ND2 3.08Å; R62-N91 WeakPolarHBondContact CD-O 3.42Å; R62-N91 PolarHBondContact NE-O 3.32Å; Y89-N91 PolarHBondContact O-N 3.38Å
92E90.5Very high73.2Confident73 Ų7375.7 Ų75.734%0.34137%0.372SS..SBendtrans-54.7-58170.4177.3154.6-16800111.8Y24 F33 R62 Y89 C90Y24-E92 HydrophobicContact CD2-CB 4Å; Y24-E92 HydrophobicContact CE2-CB 3.76Å; Y24-E92 HydrophobicContact CE2-CG 4.31Å; F33-E92 HydrophobicContact CD1-CB 4.33Å; F33-E92 HydrophobicContact CD1-CG 3.69Å; F33-E92 HydrophobicContact CE1-CB 4.06Å; F33-E92 HydrophobicContact CE1-CG 3.73Å; R62-E92 PolarHBondContact NH2-O 2.81Å; Y89-E92 VanDerWaalsContact O-CB 3.32Å; Y89-E92 WeakPolarHBondContact O-CB 2.83Å; Y89-E92 PolarHBondContact O-N 2.82Å; Y89-E92 VanDerWaalsContact O-N 3.07Å; C90-E92 PolarHBondContact O-N 3.08Å
93S72.6Confident71.4Confident76 Ų7676.6 Ų76.653%0.53138%0.381SS..  trans-132.967.2-167.9590000110.9Q95S93-Q95 PolarHBondContact O-N 3.06Å
94V58.5Low69.8Low38 Ų3878.8 Ų78.823%0.2340%0.397CS..  trans-73.369.2166.9-165.70000108.8K51 Y83 I96K51-V94 HydrophobicContact CB-CG2 4.37Å; K51-V94 HydrophobicContact CD-CB 4.36Å; K51-V94 HydrophobicContact CD-CG2 4.47Å; Y83-V94 HydrophobicContact CD1-CG1 4.34Å; Y83-V94 HydrophobicContact CG-CG1 4.13Å; V94-I96 HydrophobicContact CG1-CG1 4.32Å; V94-I96 PolarHBondContact O-N 3.01Å
95Q50.1Low68.1Low142 Ų14283 Ų8366%0.66441%0.414SS*.  trans-8093.5162.5-72.8-171.3-0.600106.8S93 R97 A98S93-Q95 PolarHBondContact O-N 3.06Å; Q95-R97 PolarHBondContact O-N 3.49Å; Q95-A98 PolarHBondContact O-N 3.39Å
96I50.7Low66.7Low75 Ų7586 Ų8639%0.38543%0.433SS..Hα-helixtrans-48.2-26.7177.1-61.4163.4000112.2Y83 V94Y83-I96 HydrophobicContact CD1-CD1 4.12Å; Y83-I96 HydrophobicContact CD1-CG1 4.33Å; Y83-I96 HydrophobicContact CE1-CD1 3.3Å; Y83-I96 HydrophobicContact CE1-CG1 3.96Å; Y83-I96 HydrophobicContact CE2-CD1 4.4Å; Y83-I96 VanDerWaalsContact CZ-CD1 3.47Å; Y83-I96 WeakPolarHBondContact OH-CD1 3.4Å; V94-I96 HydrophobicContact CG1-CG1 4.32Å; V94-I96 PolarHBondContact O-N 3.01Å
97R44.2Very low65.7Low201 Ų20187.5 Ų87.576%0.75844%0.442SS*.Hα-helixtrans-64.6-38.9179.3-79.7-172.7178.2-163-0.6114Q95 Q101Q95-R97 PolarHBondContact O-N 3.49Å; R97-Q101 WeakPolarHBondContact O-CB 3.49Å; R97-Q101 WeakPolarHBondContact O-CG 3.46Å; R97-Q101 PolarHBondContact O-N 3.42Å; R97-Q101 VanDerWaalsContact O-N 3.16Å
98A43.2Very low64.9Low44 Ų4485.1 Ų85.136%0.36444%0.437SS..Hα-helixtrans-71.6-44.6-170.900000112.7Q95 Q101 I102Q95-A98 PolarHBondContact O-N 3.39Å; A98-Q101 PolarHBondContact O-N 2.73Å; A98-I102 WeakPolarHBondContact O-CG1 3.36Å; A98-I102 PolarHBondContact O-N 2.82Å
99I50.1Low64.1Low99 Ų9986.6 Ų86.651%0.50844%0.444SS..Hα-helixtrans-69-42.3-178.2-64.3170.4000111Q101 I102 L103I99-Q101 VanDerWaalsContact C-N 3.3Å; I99-Q101 PolarHBondContact O-N 2.01Å; I99-I102 PolarHBondContact O-N 3.29Å; I99-L103 HydrophobicContact CG2-CD1 4.02Å; I99-L103 PolarHBondContact O-N 2.75Å; I99-L103 VanDerWaalsContact O-N 3.12Å
100N51Low62.9Low89 Ų8985.9 Ų85.948%0.47645%0.448SS..Hα-helixtrans-65.7-34.1178.6-74.2-12000112.2L104N100-L104 WeakPolarHBondContact O-CB 3.04Å; N100-L104 PolarHBondContact O-N 3.27Å
101Q49.1Very low62.2Low121 Ų12190 Ų9057%0.56547%0.469SS*.Hα-helixtrans-66.3-43.5176.3-78.3173.6-18.500112.2R97 A98 I99 L104 M105R97-Q101 WeakPolarHBondContact O-CB 3.49Å; R97-Q101 WeakPolarHBondContact O-CG 3.46Å; R97-Q101 PolarHBondContact O-N 3.42Å; R97-Q101 VanDerWaalsContact O-N 3.16Å; A98-Q101 PolarHBondContact O-N 2.73Å; I99-Q101 VanDerWaalsContact C-N 3.3Å; I99-Q101 PolarHBondContact O-N 2.01Å; Q101-L104 PolarHBondContact O-N 2.76Å; Q101-M105 VanDerWaalsContact O-CG 3.26Å; Q101-M105 WeakPolarHBondContact O-CG 3.32Å; Q101-M105 PolarHBondContact O-N 3.5Å; Q101-M105 VanDerWaalsContact O-N 3.08Å
102I55.8Low61.4Low117 Ų11792.8 Ų92.860%0.649%0.488SS*.Hα-helixtrans-64.8-45.3179-64.2168.7000110.5A98 I99 M105 T106A98-I102 WeakPolarHBondContact O-CG1 3.36Å; A98-I102 PolarHBondContact O-N 2.82Å; I99-I102 PolarHBondContact O-N 3.29Å; I102-M105 PolarHBondContact O-N 2.82Å; I102-T106 WeakPolarHBondContact O-CG2 3.5Å; I102-T106 PolarHBondContact O-N 2.97Å; I102-T106 PolarHBondContact O-OG1 2.76Å
103L57.4Low60.7Low96 Ų9694.8 Ų94.850%0.50350%0.496SS..Hα-helixtrans-61.6-45.8177.9-77.8166.5000112.1I99 M105 T106 I107I99-L103 HydrophobicContact CG2-CD1 4.02Å; I99-L103 PolarHBondContact O-N 2.75Å; I99-L103 VanDerWaalsContact O-N 3.12Å; L103-M105 VanDerWaalsContact C-N 3.32Å; L103-M105 PolarHBondContact O-N 2.87Å; L103-T106 WeakPolarHBondContact CA-OG1 3.29Å; L103-T106 PolarHBondContact O-N 2.88Å; L103-T106 PolarHBondContact O-OG1 2.74Å; L103-I107 WeakPolarHBondContact O-CG1 3.49Å; L103-I107 PolarHBondContact O-N 2.84Å
104L59.2Low60.8Low108 Ų10898.3 Ų98.357%0.56550%0.501SS*.Hα-helixtrans-58-45.8176.8-119.791.2000111.5N100 Q101 T106 I107 I108N100-L104 WeakPolarHBondContact O-CB 3.04Å; N100-L104 PolarHBondContact O-N 3.27Å; Q101-L104 PolarHBondContact O-N 2.76Å; L104-T106 VanDerWaalsContact C-N 3.34Å; L104-T106 PolarHBondContact O-N 3.18Å; L104-I107 PolarHBondContact O-N 3.44Å; L104-I108 HydrophobicContact CB-CD1 4.37Å; L104-I108 HydrophobicContact CD2-CD1 3.84Å; L104-I108 HydrophobicContact CG-CD1 4.16Å; L104-I108 WeakPolarHBondContact O-CB 3.27Å; L104-I108 VanDerWaalsContact O-CG1 3.26Å; L104-I108 WeakPolarHBondContact O-CG1 3.16Å; L104-I108 PolarHBondContact O-N 2.8Å
105M58.4Low61.6Low118 Ų118101.7 Ų101.758%0.58152%0.517SS*.Hα-helixtrans-63.2-40.7-179.2-71.6-63.8-7300111.9Q101 I102 L103 I107 I108 T109Q101-M105 VanDerWaalsContact O-CG 3.26Å; Q101-M105 WeakPolarHBondContact O-CG 3.32Å; Q101-M105 PolarHBondContact O-N 3.5Å; Q101-M105 VanDerWaalsContact O-N 3.08Å; I102-M105 PolarHBondContact O-N 2.82Å; L103-M105 VanDerWaalsContact C-N 3.32Å; L103-M105 PolarHBondContact O-N 2.87Å; M105-I107 VanDerWaalsContact C-N 3.27Å; M105-I107 PolarHBondContact O-N 3.16Å; M105-I108 PolarHBondContact O-N 2.87Å; M105-T109 WeakPolarHBondContact O-CB 3.4Å; M105-T109 PolarHBondContact O-N 3.35Å; M105-T109 VanDerWaalsContact O-N 3.09Å; M105-T109 PolarHBondContact O-OG1 3.3Å
106T61.4Low62.4Low84 Ų84101.4 Ų101.452%0.51552%0.52SS..Hα-helixtrans-65.6-26.9177.454.40000113.9I102 L103 L104 P110I102-T106 WeakPolarHBondContact O-CG2 3.5Å; I102-T106 PolarHBondContact O-N 2.97Å; I102-T106 PolarHBondContact O-OG1 2.76Å; L103-T106 WeakPolarHBondContact CA-OG1 3.29Å; L103-T106 PolarHBondContact O-N 2.88Å; L103-T106 PolarHBondContact O-OG1 2.74Å; L104-T106 VanDerWaalsContact C-N 3.34Å; L104-T106 PolarHBondContact O-N 3.18Å; T106-P110 WeakPolarHBondContact O-CD 3.16Å; T106-P110 WeakPolarHBondContact O-CG 3.39Å
107I69.5Low62.9Low100 Ų100105.3 Ų105.351%0.51353%0.534SS..Hα-helixtrans-85.3-42.2177.2-63.9169000110.9L103 L104 M105 P110 I111L103-I107 WeakPolarHBondContact O-CG1 3.49Å; L103-I107 PolarHBondContact O-N 2.84Å; L104-I107 PolarHBondContact O-N 3.44Å; M105-I107 VanDerWaalsContact C-N 3.27Å; M105-I107 PolarHBondContact O-N 3.16Å; I107-P110 WeakPolarHBondContact O-CD 3.49Å; I107-P110 WeakPolarHBondContact O-CG 3.35Å; I107-I111 HydrophobicContact CG2-CD1 3.72Å; I107-I111 WeakPolarHBondContact O-CD1 3.43Å; I107-I111 VanDerWaalsContact O-CG1 3.27Å; I107-I111 WeakPolarHBondContact O-CG1 3.42Å; I107-I111 PolarHBondContact O-N 2.85Å
108I72.1Confident63.2Low77 Ų77107.3 Ų107.340%0.39555%0.549SS..Hα-helixtrans-70.1-40.7-175-68.1168.7000111.4L104 M105 I111 C112L104-I108 HydrophobicContact CB-CD1 4.37Å; L104-I108 HydrophobicContact CD2-CD1 3.84Å; L104-I108 HydrophobicContact CG-CD1 4.16Å; L104-I108 WeakPolarHBondContact O-CB 3.27Å; L104-I108 VanDerWaalsContact O-CG1 3.26Å; L104-I108 WeakPolarHBondContact O-CG1 3.16Å; L104-I108 PolarHBondContact O-N 2.8Å; M105-I108 PolarHBondContact O-N 2.87Å; I108-I111 PolarHBondContact O-N 3.23Å; I108-C112 WeakPolarHBondContact O-CB 3.01Å; I108-C112 PolarHBondContact O-N 3.45Å; I108-C112 PolarHBondContact O-SG 3.07Å; I108-C112 VanDerWaalsContact O-SG 3.39Å
109T73.2Confident64.2Low84 Ų84110.5 Ų110.552%0.51556%0.558SS.*Hα-helixtrans-59-49.8-175.8-49.80000113.2M105 C112 F113M105-T109 WeakPolarHBondContact O-CB 3.4Å; M105-T109 PolarHBondContact O-N 3.35Å; M105-T109 VanDerWaalsContact O-N 3.09Å; M105-T109 PolarHBondContact O-OG1 3.3Å; T109-C112 PolarHBondContact O-N 2.85Å; T109-F113 WeakPolarHBondContact O-CB 3.41Å; T109-F113 PolarHBondContact O-N 3.41Å
110P69.5Low64.9Low58 Ų58111.1 Ų111.138%0.37756%0.56SS.*Hα-helixtrans-65.8-39.3175.422.7-30.7000112.3T106 I107 C112 F113 F114T106-P110 WeakPolarHBondContact O-CD 3.16Å; T106-P110 WeakPolarHBondContact O-CG 3.39Å; I107-P110 WeakPolarHBondContact O-CD 3.49Å; I107-P110 WeakPolarHBondContact O-CG 3.35Å; P110-C112 PolarHBondContact O-N 3.37Å; P110-F113 PolarHBondContact O-N 3.39Å; P110-F113 VanDerWaalsContact O-N 3.17Å; P110-F114 HydrophobicContact CB-CE2 4.42Å; P110-F114 WeakPolarHBondContact O-CD2 3.43Å; P110-F114 PolarHBondContact O-N 2.86Å
111I76.9Confident65.7Low90 Ų90112.3 Ų112.346%0.46257%0.565SS.*Hα-helixtrans-59.1-47.9177-66.9170.9000110.6I107 I108 F113 F114 I115I107-I111 HydrophobicContact CG2-CD1 3.72Å; I107-I111 WeakPolarHBondContact O-CD1 3.43Å; I107-I111 VanDerWaalsContact O-CG1 3.27Å; I107-I111 WeakPolarHBondContact O-CG1 3.42Å; I107-I111 PolarHBondContact O-N 2.85Å; I108-I111 PolarHBondContact O-N 3.23Å; I111-F113 VanDerWaalsContact C-N 3.31Å; I111-F113 PolarHBondContact O-N 2.8Å; I111-F114 PolarHBondContact O-N 3.31Å; I111-I115 HydrophobicContact CG2-CD1 3.68Å; I111-I115 HydrophobicContact CG2-CG1 4.43Å; I111-I115 VanDerWaalsContact O-CG1 3.3Å; I111-I115 WeakPolarHBondContact O-CG1 3.39Å; I111-I115 PolarHBondContact O-N 3.44Å
112C75.6Confident66.7Low58 Ų58111.8 Ų111.839%0.39257%0.565SS.*Hα-helixtrans-62.2-37.1176.3-70.40000112.5I108 T109 P110 N116I108-C112 WeakPolarHBondContact O-CB 3.01Å; I108-C112 PolarHBondContact O-N 3.45Å; I108-C112 PolarHBondContact O-SG 3.07Å; I108-C112 VanDerWaalsContact O-SG 3.39Å; T109-C112 PolarHBondContact O-N 2.85Å; P110-C112 PolarHBondContact O-N 3.37Å; C112-N116 WeakPolarHBondContact O-CB 3.14Å; C112-N116 PolarHBondContact O-N 3.07Å; C112-N116 PolarHBondContact O-ND2 3.25Å
113F75.6Confident67.4Low116 Ų116111.4 Ų111.451%0.50956%0.563SS.*Hα-helixtrans-66.4-39.8176.8-172.8-97.9000112.6T109 P110 I111 K117T109-F113 WeakPolarHBondContact O-CB 3.41Å; T109-F113 PolarHBondContact O-N 3.41Å; P110-F113 PolarHBondContact O-N 3.39Å; P110-F113 VanDerWaalsContact O-N 3.17Å; I111-F113 VanDerWaalsContact C-N 3.31Å; I111-F113 PolarHBondContact O-N 2.8Å; F113-K117 HydrophobicContact CD1-CD 4.39Å; F113-K117 HydrophobicContact CE1-CD 3.77Å; F113-K117 HydrophobicContact CZ-CD 3.91Å; F113-K117 PolarHBondContact O-N 2.97Å
114F75.3Confident68Low149 Ų149112.5 Ų112.565%0.65457%0.567SS**Hα-helixtrans-73.1-32.8177-76.7-68000113.2P110 I111P110-F114 HydrophobicContact CB-CE2 4.42Å; P110-F114 WeakPolarHBondContact O-CD2 3.43Å; P110-F114 PolarHBondContact O-N 2.86Å; I111-F114 PolarHBondContact O-N 3.31Å
115I74.5Confident68.7Low110 Ų110112.8 Ų112.856%0.56457%0.567SS**Hα-helixtrans-70-43.9175.9-68169.8000110.9I111 K117 K118I111-I115 HydrophobicContact CG2-CD1 3.68Å; I111-I115 HydrophobicContact CG2-CG1 4.43Å; I111-I115 VanDerWaalsContact O-CG1 3.3Å; I111-I115 WeakPolarHBondContact O-CG1 3.39Å; I111-I115 PolarHBondContact O-N 3.44Å; I115-K117 VanDerWaalsContact C-N 3.28Å; I115-K117 PolarHBondContact O-N 3.06Å; I115-K118 PolarHBondContact O-N 3.36Å
116N67Low69.5Low136 Ų136112.4 Ų112.473%0.72757%0.566SS**Hα-helixtrans-75.9-10.6-178.4-75.8-39.1000114.7C112C112-N116 WeakPolarHBondContact O-CB 3.14Å; C112-N116 PolarHBondContact O-N 3.07Å; C112-N116 PolarHBondContact O-ND2 3.25Å
117K61.5Low70.1Confident156 Ų156114.8 Ų114.868%0.67857%0.57SS**THydrogen-bonded Turntrans-94.11.3174.8-84.7-162.6171.2-170.20114.1F113 I115F113-K117 HydrophobicContact CD1-CD 4.39Å; F113-K117 HydrophobicContact CE1-CD 3.77Å; F113-K117 HydrophobicContact CZ-CD 3.91Å; F113-K117 PolarHBondContact O-N 2.97Å; I115-K117 VanDerWaalsContact C-N 3.28Å; I115-K117 PolarHBondContact O-N 3.06Å
118K50.8Low70.2Confident243 Ų243116.1 Ų116.1100%1.05758%0.575SS**  trans-98.50166.9-80.1-177.4175.3-179.40109.6I115I115-K118 PolarHBondContact O-N 3.36Å

Retrieved 118 of 118 residues in 215.1 ms (Link to these results)

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