A0A5K4F6Q7_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4F6Q7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 94 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
1M51.2Low78.7Confident226 Ų226132.5 Ų132.5100%1.11367%0.672SS**  0117.90-76.8164.568.800106.7
2E66.9Low79.6Confident184 Ų184129.5 Ų129.586%0.8666%0.658SS**  trans-59.1141.2169.8-73.4-177.514700109.1I4E2-I4 PolarHBondContact O-N 3.21Å
3N71.7Confident80.5Confident165 Ų165125.8 Ų125.888%0.88264%0.64SS**  trans-63.5101.9178.3-80.7-26.7000109.3K5N3-K5 PolarHBondContact O-N 3.26Å; N3-K5 VanDerWaalsContact O-N 3.17Å
4I70.1Confident81.4Confident114 Ų114122.9 Ų122.959%0.58562%0.622SS**  trans-60.3120172.3-58.7177.9000107E2 N8 L9E2-I4 PolarHBondContact O-N 3.21Å; I4-N8 HydrophobicContact CG2-CB 4.27Å; I4-L9 HydrophobicContact CG2-CB 4.13Å
5K80Confident82Confident150 Ų150119.9 Ų119.965%0.65261%0.609SS**  trans-57130.1175.7-71.6-179.6179.5177.10108.3N3 N7 N8 L9N3-K5 PolarHBondContact O-N 3.26Å; N3-K5 VanDerWaalsContact O-N 3.17Å; K5-N7 PolarHBondContact O-N 2.89Å; K5-N8 WeakPolarHBondContact O-CB 3.45Å; K5-N8 PolarHBondContact O-N 2.83Å; K5-L9 PolarHBondContact O-N 2.87Å
6P79.3Confident82.6Confident112 Ų112121 Ų12173%0.72762%0.615SS**Hα-helixtrans-52.4-35-176.4-28.533.3000113.9N8 L9 K10P6-N8 PolarHBondContact O-N 3.15Å; P6-L9 PolarHBondContact O-N 3.09Å; P6-K10 PolarHBondContact O-N 3.17Å
7N88.1Confident83.2Confident120 Ų120122.4 Ų122.464%0.64262%0.624SS**Hα-helixtrans-62.6-38.9175.4-10025.8000113.4K5 L9 K10 L11K5-N7 PolarHBondContact O-N 2.89Å; N7-L9 VanDerWaalsContact C-N 3.34Å; N7-K10 PolarHBondContact O-N 3.28Å; N7-L11 WeakPolarHBondContact O-CG 3.5Å; N7-L11 PolarHBondContact O-N 2.78Å
8N87.1Confident83.7Confident93 Ų93118.3 Ų118.350%0.49761%0.606SS.*Hα-helixtrans-68.6-38.4179.5-67.310.6000110.6I4 K5 P6 K10 L12I4-N8 HydrophobicContact CG2-CB 4.27Å; K5-N8 WeakPolarHBondContact O-CB 3.45Å; K5-N8 PolarHBondContact O-N 2.83Å; P6-N8 PolarHBondContact O-N 3.15Å; N8-K10 VanDerWaalsContact C-N 3.34Å; N8-L12 WeakPolarHBondContact O-CB 3.35Å; N8-L12 PolarHBondContact O-N 2.61Å
9L88.8Confident84.1Confident82 Ų82116.8 Ų116.843%0.42960%0.599SS.*Hα-helixtrans-65.6-40.3175.1-177.861.9000111.2I4 K5 P6 N7 L12 I13I4-L9 HydrophobicContact CG2-CB 4.13Å; K5-L9 PolarHBondContact O-N 2.87Å; P6-L9 PolarHBondContact O-N 3.09Å; N7-L9 VanDerWaalsContact C-N 3.34Å; L9-L12 PolarHBondContact O-N 2.83Å; L9-I13 HydrophobicContact CD1-CD1 4.27Å; L9-I13 HydrophobicContact CD1-CG1 4.46Å; L9-I13 HydrophobicContact CG-CD1 4.03Å; L9-I13 VanDerWaalsContact O-CG1 3.3Å; L9-I13 WeakPolarHBondContact O-CG1 3.09Å; L9-I13 PolarHBondContact O-N 3.36Å
10K91.7Very high84.5Confident119 Ų119115.4 Ų115.452%0.51760%0.596SS.*Hα-helixtrans-60.1-50.5176.1-177.1-177.8167.4-172.90111.4P6 N7 N8 L12 I13 E14P6-K10 PolarHBondContact O-N 3.17Å; N7-K10 PolarHBondContact O-N 3.28Å; N8-K10 VanDerWaalsContact C-N 3.34Å; K10-L12 VanDerWaalsContact C-N 3.32Å; K10-L12 PolarHBondContact O-N 2.69Å; K10-I13 PolarHBondContact O-N 3.03Å; K10-I13 VanDerWaalsContact O-N 3.16Å; K10-E14 WeakPolarHBondContact CE-OE1 3.49Å; K10-E14 IonicContact NZ-OE1 3.62Å; K10-E14 WeakPolarHBondContact O-CG 3.42Å; K10-E14 PolarHBondContact O-N 3.27Å
11L90.6Very high84.9Confident93 Ų93110.5 Ų110.549%0.48757%0.572SS.*Hα-helixtrans-59.4-43.9177.6-72.2170.1000111.6N7 I13 E14 D15N7-L11 WeakPolarHBondContact O-CG 3.5Å; N7-L11 PolarHBondContact O-N 2.78Å; L11-I13 VanDerWaalsContact C-N 3.29Å; L11-I13 PolarHBondContact O-N 2.84Å; L11-E14 PolarHBondContact O-N 3.33Å; L11-E14 VanDerWaalsContact O-N 3.14Å; L11-D15 PolarHBondContact O-N 3.15Å
12L89.9Confident87Confident96 Ų96102.5 Ų102.550%0.50353%0.533SS..Hα-helixtrans-59.5-40.3176.5-178.367.8000112.3N8 L9 K10 D15 L16N8-L12 WeakPolarHBondContact O-CB 3.35Å; N8-L12 PolarHBondContact O-N 2.61Å; L9-L12 PolarHBondContact O-N 2.83Å; K10-L12 VanDerWaalsContact C-N 3.32Å; K10-L12 PolarHBondContact O-N 2.69Å; L12-D15 PolarHBondContact O-N 2.94Å; L12-L16 HydrophobicContact CG-CD1 4.23Å; L12-L16 WeakPolarHBondContact O-CB 3.47Å; L12-L16 VanDerWaalsContact O-CG 3.22Å; L12-L16 WeakPolarHBondContact O-CG 3.5Å; L12-L16 PolarHBondContact O-N 3.49Å
13I91.2Very high88.3Confident82 Ų8295.9 Ų95.942%0.42150%0.503SS..Hα-helixtrans-68.4-40.6176.6-68.3167.1000110.6L9 K10 L11 D15 L16 L17L9-I13 HydrophobicContact CD1-CD1 4.27Å; L9-I13 HydrophobicContact CD1-CG1 4.46Å; L9-I13 HydrophobicContact CG-CD1 4.03Å; L9-I13 VanDerWaalsContact O-CG1 3.3Å; L9-I13 WeakPolarHBondContact O-CG1 3.09Å; L9-I13 PolarHBondContact O-N 3.36Å; K10-I13 PolarHBondContact O-N 3.03Å; K10-I13 VanDerWaalsContact O-N 3.16Å; L11-I13 VanDerWaalsContact C-N 3.29Å; L11-I13 PolarHBondContact O-N 2.84Å; I13-D15 VanDerWaalsContact C-N 3.34Å; I13-L16 PolarHBondContact O-N 3.29Å; I13-L17 HydrophobicContact CG2-CD1 3.91Å; I13-L17 HydrophobicContact CG2-CG 4.46Å; I13-L17 VanDerWaalsContact O-CG 3.26Å; I13-L17 WeakPolarHBondContact O-CG 3.16Å; I13-L17 PolarHBondContact O-N 2.83Å; I13-L17 VanDerWaalsContact O-N 3.1Å
14E92.7Very high89.4Confident85 Ų8590.3 Ų90.340%0.39747%0.471SS..Hα-helixtrans-60.9-44.1175.4-72.9173162.700110.8K10 L11 L17 T18K10-E14 WeakPolarHBondContact CE-OE1 3.49Å; K10-E14 IonicContact NZ-OE1 3.62Å; K10-E14 WeakPolarHBondContact O-CG 3.42Å; K10-E14 PolarHBondContact O-N 3.27Å; L11-E14 PolarHBondContact O-N 3.33Å; L11-E14 VanDerWaalsContact O-N 3.14Å; E14-L17 PolarHBondContact O-N 3.4Å; E14-T18 PolarHBondContact O-N 3.17Å; E14-T18 VanDerWaalsContact O-N 3.08Å; E14-T18 PolarHBondContact O-OG1 3.49Å
15D90.5Very high90.6Very high78 Ų7884.9 Ų84.942%0.41744%0.444SS..Hα-helixtrans-62.8-46.3175.4-67.4-18.2000111L11 L12 I13 L17 T18 L23L11-D15 PolarHBondContact O-N 3.15Å; L12-D15 PolarHBondContact O-N 2.94Å; I13-D15 VanDerWaalsContact C-N 3.34Å; D15-L17 PolarHBondContact O-N 3.39Å; D15-L17 VanDerWaalsContact O-N 3.13Å; D15-T18 WeakPolarHBondContact O-CB 3.14Å; D15-T18 PolarHBondContact O-N 2.99Å; D15-L23 HydrophobicContact CB-CD1 4.48Å; D15-L23 HydrophobicContact CB-CD2 4.06Å; D15-L23 WeakPolarHBondContact O-CD1 3.49Å
16L91.3Very high91.3Very high137 Ų13781 Ų8172%0.71743%0.428SS*.Hα-helixtrans-60.8-24.8178.3-75.6169.9000114L12 I13L12-L16 HydrophobicContact CG-CD1 4.23Å; L12-L16 WeakPolarHBondContact O-CB 3.47Å; L12-L16 VanDerWaalsContact O-CG 3.22Å; L12-L16 WeakPolarHBondContact O-CG 3.5Å; L12-L16 PolarHBondContact O-N 3.49Å; I13-L16 PolarHBondContact O-N 3.29Å
17L93.6Very high92Very high145 Ų14579.7 Ų79.776%0.75941%0.412SS*.Hα-helixtrans-93.1-10.8177.3-66.3173000112.9I13 E14 D15I13-L17 HydrophobicContact CG2-CD1 3.91Å; I13-L17 HydrophobicContact CG2-CG 4.46Å; I13-L17 VanDerWaalsContact O-CG 3.26Å; I13-L17 WeakPolarHBondContact O-CG 3.16Å; I13-L17 PolarHBondContact O-N 2.83Å; I13-L17 VanDerWaalsContact O-N 3.1Å; E14-L17 PolarHBondContact O-N 3.4Å; D15-L17 PolarHBondContact O-N 3.39Å; D15-L17 VanDerWaalsContact O-N 3.13Å
18T92.1Very high92.4Very high48 Ų4874 Ų7429%0.29438%0.382SS..SBendtrans-83.3140.8-178.6-620000110E14 D15 T20 I22 L23E14-T18 PolarHBondContact O-N 3.17Å; E14-T18 VanDerWaalsContact O-N 3.08Å; E14-T18 PolarHBondContact O-OG1 3.49Å; D15-T18 WeakPolarHBondContact O-CB 3.14Å; D15-T18 PolarHBondContact O-N 2.99Å; T18-T20 PolarHBondContact O-N 3.03Å; T18-I22 HydrophobicContact CG2-CB 3.87Å; T18-I22 HydrophobicContact CG2-CG2 3.81Å; T18-L23 HydrophobicContact CG2-CD2 4.09Å; T18-L23 HydrophobicContact CG2-CG 3.88Å
19D91.6Very high92.8Very high90 Ų9074.6 Ų74.648%0.48138%0.378SS..  trans-56.3130.4174.6-172.5-72.3000110S21 I22 L23D19-S21 PolarHBondContact O-N 3.23Å; D19-S21 VanDerWaalsContact O-N 3.16Å; D19-S21 VanDerWaalsContact OD1-CB 3.25Å; D19-S21 WeakPolarHBondContact OD1-CB 3.44Å; D19-S21 PolarHBondContact OD1-N 3.22Å; D19-S21 PolarHBondContact OD1-OG 3.2Å; D19-I22 HydrophobicContact CB-CB 4.49Å; D19-I22 HydrophobicContact CB-CD1 3.92Å; D19-I22 HydrophobicContact CB-CG1 4.07Å; D19-I22 WeakPolarHBondContact O-CA 3.32Å; D19-I22 WeakPolarHBondContact O-CB 3.32Å; D19-I22 PolarHBondContact O-N 3.07Å; D19-L23 PolarHBondContact O-N 3.13Å; D19-L23 VanDerWaalsContact O-N 3.15Å
20T91.7Very high93.1Very high88 Ų8875.4 Ų75.454%0.5438%0.378SS..Hα-helixtrans-57.1-34.1-175.8-55.60000112.1T18 I22 L23 F24T18-T20 PolarHBondContact O-N 3.03Å; T20-I22 VanDerWaalsContact C-N 3.29Å; T20-I22 PolarHBondContact O-N 3.18Å; T20-L23 PolarHBondContact O-N 3.45Å; T20-F24 HydrophobicContact CG2-CD2 3.57Å; T20-F24 HydrophobicContact CG2-CE2 3.57Å; T20-F24 WeakPolarHBondContact O-CD2 3.36Å; T20-F24 PolarHBondContact O-N 3.2Å
21S93.2Very high93.3Very high13 Ų1370.1 Ų70.19%0.09136%0.356CS..Hα-helixtrans-65.8-33177.269.80000112.7D19 A25D19-S21 PolarHBondContact O-N 3.23Å; D19-S21 VanDerWaalsContact O-N 3.16Å; D19-S21 VanDerWaalsContact OD1-CB 3.25Å; D19-S21 WeakPolarHBondContact OD1-CB 3.44Å; D19-S21 PolarHBondContact OD1-N 3.22Å; D19-S21 PolarHBondContact OD1-OG 3.2Å; S21-A25 WeakPolarHBondContact O-CB 3.49Å; S21-A25 PolarHBondContact O-N 2.68Å
22I94.9Very high93.6Very high58 Ų5865.9 Ų65.930%0.29733%0.334SS..Hα-helixtrans-69.4-48.1175.4-63175.4000110.2T18 D19 T20 F24 A25 E26 V58 Y62T18-I22 HydrophobicContact CG2-CB 3.87Å; T18-I22 HydrophobicContact CG2-CG2 3.81Å; D19-I22 HydrophobicContact CB-CB 4.49Å; D19-I22 HydrophobicContact CB-CD1 3.92Å; D19-I22 HydrophobicContact CB-CG1 4.07Å; D19-I22 WeakPolarHBondContact O-CA 3.32Å; D19-I22 WeakPolarHBondContact O-CB 3.32Å; D19-I22 PolarHBondContact O-N 3.07Å; T20-I22 VanDerWaalsContact C-N 3.29Å; T20-I22 PolarHBondContact O-N 3.18Å; I22-F24 PolarHBondContact O-N 3.44Å; I22-A25 PolarHBondContact O-N 3.3Å; I22-E26 WeakPolarHBondContact O-CB 3.47Å; I22-E26 PolarHBondContact O-N 3.15Å; I22-V58 HydrophobicContact CG1-CG1 4.08Å; I22-Y62 WeakPolarHBondContact CG2-OH 3.25Å
23L93.7Very high93.9Very high45 Ų4564.4 Ų64.424%0.23633%0.33CS..Hα-helixtrans-57.1-50.8177.9-72.4172.4000111.5D15 T18 D19 T20 A25 E26 E27D15-L23 HydrophobicContact CB-CD1 4.48Å; D15-L23 HydrophobicContact CB-CD2 4.06Å; D15-L23 WeakPolarHBondContact O-CD1 3.49Å; T18-L23 HydrophobicContact CG2-CD2 4.09Å; T18-L23 HydrophobicContact CG2-CG 3.88Å; D19-L23 PolarHBondContact O-N 3.13Å; D19-L23 VanDerWaalsContact O-N 3.15Å; T20-L23 PolarHBondContact O-N 3.45Å; L23-A25 PolarHBondContact O-N 3.19Å; L23-E26 PolarHBondContact O-N 3.09Å; L23-E27 WeakPolarHBondContact O-CB 3.34Å; L23-E27 WeakPolarHBondContact O-CG 3.38Å; L23-E27 PolarHBondContact O-N 2.89Å
24F94.8Very high94Very high48 Ų4864.6 Ų64.621%0.21134%0.335CS..Hα-helixtrans-65.6-38.7-179.9-86.3-73.3000113T20 I22 E26 E27 L28 L43 D46 F47 V55T20-F24 HydrophobicContact CG2-CD2 3.57Å; T20-F24 HydrophobicContact CG2-CE2 3.57Å; T20-F24 WeakPolarHBondContact O-CD2 3.36Å; T20-F24 PolarHBondContact O-N 3.2Å; I22-F24 PolarHBondContact O-N 3.44Å; F24-E26 VanDerWaalsContact C-N 3.35Å; F24-E27 PolarHBondContact O-N 3.23Å; F24-L28 WeakPolarHBondContact O-CB 3.42Å; F24-L28 VanDerWaalsContact O-CG 3.32Å; F24-L28 WeakPolarHBondContact O-CG 3.47Å; F24-L28 PolarHBondContact O-N 3.22Å; F24-L43 HydrophobicContact CD1-CB 4.46Å; F24-L43 HydrophobicContact CD1-CD2 3.87Å; F24-L43 HydrophobicContact CE1-CD2 3.9Å; F24-D46 HydrophobicContact CE1-CB 4.25Å; F24-D46 HydrophobicContact CZ-CB 4.14Å; F24-F47 HydrophobicContact CB-CE1 3.85Å; F24-F47 HydrophobicContact CB-CZ 3.96Å; F24-F47 AromaticContact CD1-CE1 3.51Å; F24-F47 HydrophobicContact CD1-CE1 3.51Å; F24-F47 AromaticContact CD1-CZ 3.93Å; F24-F47 HydrophobicContact CD1-CZ 3.93Å; F24-F47 AromaticContact CD2-CE1 3.92Å; F24-F47 HydrophobicContact CD2-CE1 3.92Å; F24-F47 AromaticContact CE1-CE1 3.92Å; F24-F47 HydrophobicContact CE1-CE1 3.92Å; F24-F47 HydrophobicContact CE2-CE1 4.3Å; F24-F47 AromaticContact CG-CE1 3.51Å; F24-F47 HydrophobicContact CG-CE1 3.51Å; F24-F47 HydrophobicContact CG-CZ 4.04Å; F24-F47 HydrophobicContact CZ-CE1 4.3Å; F24-V55 HydrophobicContact CB-CG1 4.12Å; F24-V55 HydrophobicContact CB-CG2 3.87Å
25A96Very high93.9Very high0 Ų063.5 Ų63.50%034%0.337CS..Hα-helixtrans-62.7-43.7176.200000111.5S21 I22 L23 L28 Y29 V55 V58 Y59 Y62S21-A25 WeakPolarHBondContact O-CB 3.49Å; S21-A25 PolarHBondContact O-N 2.68Å; I22-A25 PolarHBondContact O-N 3.3Å; L23-A25 PolarHBondContact O-N 3.19Å; A25-L28 PolarHBondContact O-N 3.27Å; A25-Y29 VanDerWaalsContact O-CB 3.32Å; A25-Y29 WeakPolarHBondContact O-CB 3.49Å; A25-Y29 PolarHBondContact O-N 3.41Å; A25-V55 HydrophobicContact CB-CG1 4.23Å; A25-V58 HydrophobicContact CB-CB 3.9Å; A25-V58 HydrophobicContact CB-CG1 3.64Å; A25-Y59 WeakPolarHBondContact O-CD2 3.24Å; A25-Y62 HydrophobicContact CB-CD2 4.26Å; A25-Y62 HydrophobicContact CB-CE2 4.27Å
26E94.7Very high94.1Very high68 Ų6862.8 Ų62.832%0.31833%0.333SS..Hα-helixtrans-65-44.7177.4-169.9-179.4157.900111.5I22 L23 F24 Y29 K30I22-E26 WeakPolarHBondContact O-CB 3.47Å; I22-E26 PolarHBondContact O-N 3.15Å; L23-E26 PolarHBondContact O-N 3.09Å; F24-E26 VanDerWaalsContact C-N 3.35Å; E26-Y29 WeakPolarHBondContact O-CB 3.44Å; E26-Y29 PolarHBondContact O-N 3.12Å; E26-K30 HydrophobicContact CG-CD 4.48Å; E26-K30 WeakPolarHBondContact O-CG 3.41Å; E26-K30 PolarHBondContact O-N 2.93Å; E26-K30 WeakPolarHBondContact OE1-CE 3.38Å; E26-K30 IonicContact OE1-NZ 2.86Å; E26-K30 PolarHBondContact OE1-NZ 3.28Å
27E94.1Very high94.2Very high86 Ų8659.6 Ų59.640%0.40232%0.316SS..Hα-helixtrans-66.6-37.7178.4-70.5-54.8117.300112.2L23 F24 Y29 K30 A31 L43L23-E27 WeakPolarHBondContact O-CB 3.34Å; L23-E27 WeakPolarHBondContact O-CG 3.38Å; L23-E27 PolarHBondContact O-N 2.89Å; F24-E27 PolarHBondContact O-N 3.23Å; E27-Y29 VanDerWaalsContact C-N 3.35Å; E27-K30 PolarHBondContact O-N 3.42Å; E27-K30 IonicContact OE1-NZ 2.72Å; E27-K30 PolarHBondContact OE1-NZ 3.36Å; E27-A31 WeakPolarHBondContact O-CB 3.33Å; E27-A31 PolarHBondContact O-N 3.23Å; E27-L43 HydrophobicContact CB-CD1 3.98Å; E27-L43 HydrophobicContact CB-CD2 4.17Å
28L96.3Very high94.3Very high0 Ų059.5 Ų59.50%031%0.312CS..Hα-helixtrans-63.8-40.8170.8-76.4172.1000111.7F24 A25 K30 A31 I32 T40 L43 L44 F47 V55 Y59 I67F24-L28 WeakPolarHBondContact O-CB 3.42Å; F24-L28 VanDerWaalsContact O-CG 3.32Å; F24-L28 WeakPolarHBondContact O-CG 3.47Å; F24-L28 PolarHBondContact O-N 3.22Å; A25-L28 PolarHBondContact O-N 3.27Å; L28-K30 VanDerWaalsContact C-N 3.29Å; L28-K30 PolarHBondContact O-N 3.12Å; L28-A31 PolarHBondContact O-N 3.48Å; L28-I32 HydrophobicContact CB-CD1 4.41Å; L28-I32 WeakPolarHBondContact O-CG1 3.33Å; L28-I32 PolarHBondContact O-N 2.91Å; L28-T40 HydrophobicContact CD2-CG2 4.39Å; L28-L43 HydrophobicContact CD2-CB 3.65Å; L28-L43 HydrophobicContact CD2-CD1 3.93Å; L28-L43 HydrophobicContact CD2-CG 4.47Å; L28-L43 HydrophobicContact CG-CB 4.17Å; L28-L43 HydrophobicContact CG-CD1 4.21Å; L28-L44 HydrophobicContact CD1-CD2 4.01Å; L28-L44 HydrophobicContact CD2-CD2 4.06Å; L28-L44 HydrophobicContact CD2-CG 4.02Å; L28-F47 HydrophobicContact CD1-CE2 4.14Å; L28-F47 HydrophobicContact CD1-CZ 4Å; L28-V55 HydrophobicContact CD1-CG1 3.86Å; L28-Y59 HydrophobicContact CB-CD2 4.08Å; L28-Y59 HydrophobicContact CB-CE2 4.02Å; L28-I67 HydrophobicContact CD1-CD1 3.94Å
29Y96.2Very high94.5Very high106 Ų10661 Ų6142%0.41632%0.317SS..Hα-helixtrans-63.6-36.5178.7177.4-104.8000111.7A25 E26 E27 P33 Y59A25-Y29 VanDerWaalsContact O-CB 3.32Å; A25-Y29 WeakPolarHBondContact O-CB 3.49Å; A25-Y29 PolarHBondContact O-N 3.41Å; E26-Y29 WeakPolarHBondContact O-CB 3.44Å; E26-Y29 PolarHBondContact O-N 3.12Å; E27-Y29 VanDerWaalsContact C-N 3.35Å; Y29-P33 WeakPolarHBondContact O-CD 3.3Å; Y29-P33 VanDerWaalsContact O-CG 3.29Å; Y29-P33 WeakPolarHBondContact O-CG 3.47Å; Y29-Y59 HydrophobicContact CD2-CE2 4.42Å
30K95.1Very high94.7Very high99 Ų9956.7 Ų56.743%0.4329%0.294SS..Hα-helixtrans-73.5-41.9172.1-67.9169-171.9157.70112.4E26 E27 L28 T34E26-K30 HydrophobicContact CG-CD 4.48Å; E26-K30 WeakPolarHBondContact O-CG 3.41Å; E26-K30 PolarHBondContact O-N 2.93Å; E26-K30 WeakPolarHBondContact OE1-CE 3.38Å; E26-K30 IonicContact OE1-NZ 2.86Å; E26-K30 PolarHBondContact OE1-NZ 3.28Å; E27-K30 PolarHBondContact O-N 3.42Å; E27-K30 IonicContact OE1-NZ 2.72Å; E27-K30 PolarHBondContact OE1-NZ 3.36Å; L28-K30 VanDerWaalsContact C-N 3.29Å; L28-K30 PolarHBondContact O-N 3.12Å; K30-T34 WeakPolarHBondContact O-CG2 3.42Å
31A95.7Very high94.9Very high8 Ų854.3 Ų54.37%0.06628%0.279CS..Hα-helixtrans-72.3-46.7-17200000113.1E27 L28 T34 I39 L43E27-A31 WeakPolarHBondContact O-CB 3.33Å; E27-A31 PolarHBondContact O-N 3.23Å; L28-A31 PolarHBondContact O-N 3.48Å; A31-T34 WeakPolarHBondContact O-CB 3.31Å; A31-T34 PolarHBondContact O-N 3.41Å; A31-T34 PolarHBondContact O-OG1 3.22Å; A31-I39 HydrophobicContact CB-CB 4.43Å; A31-I39 HydrophobicContact CB-CG2 3.68Å; A31-L43 HydrophobicContact CB-CD1 3.98Å
32I96.7Very high95Very high3 Ų356.4 Ų56.42%0.01529%0.294CS..G310 helixtrans-56.4-47-173.4-69.3163.3000112.3L28 T34 S35 T40 Y59 I67 S70 I71 R74 F75L28-I32 HydrophobicContact CB-CD1 4.41Å; L28-I32 WeakPolarHBondContact O-CG1 3.33Å; L28-I32 PolarHBondContact O-N 2.91Å; I32-T34 PolarHBondContact O-N 3.01Å; I32-S35 PolarHBondContact O-N 3.02Å; I32-S35 VanDerWaalsContact O-N 3.07Å; I32-T40 HydrophobicContact CG1-CG2 3.8Å; I32-Y59 HydrophobicContact CD1-CE2 4.1Å; I32-I67 HydrophobicContact CD1-CG2 4.3Å; I32-S70 WeakPolarHBondContact CG2-O 3.39Å; I32-I71 HydrophobicContact CD1-CD1 4.48Å; I32-I71 HydrophobicContact CD1-CG1 3.88Å; I32-I71 HydrophobicContact CG1-CG1 4.2Å; I32-R74 HydrophobicContact CG2-CB 4.13Å; I32-R74 HydrophobicContact CG2-CG 3.88Å; I32-F75 HydrophobicContact CG2-CE2 4.42Å
33P94.8Very high95Very high65 Ų6555 Ų5542%0.42229%0.287SS..G310 helixtrans-61.7-24.3178.1-25.535.9000114.7Y29 S35Y29-P33 WeakPolarHBondContact O-CD 3.3Å; Y29-P33 VanDerWaalsContact O-CG 3.29Å; Y29-P33 WeakPolarHBondContact O-CG 3.47Å; P33-S35 PolarHBondContact O-N 3.3Å
34T95.1Very high95Very high87 Ų8753 Ų5353%0.53428%0.277SS..G310 helixtrans-70.7-8.1177.571.60000113.1K30 A31 I32 N36K30-T34 WeakPolarHBondContact O-CG2 3.42Å; A31-T34 WeakPolarHBondContact O-CB 3.31Å; A31-T34 PolarHBondContact O-N 3.41Å; A31-T34 PolarHBondContact O-OG1 3.22Å; I32-T34 PolarHBondContact O-N 3.01Å; T34-N36 PolarHBondContact O-N 2.95Å; T34-N36 VanDerWaalsContact O-N 3.15Å; T34-N36 WeakPolarHBondContact OG1-CB 3.33Å; T34-N36 PolarHBondContact OG1-N 3.41Å
35S90.6Very high94.9Very high62 Ų6253.5 Ų53.543%0.43428%0.281SS..THydrogen-bonded Turntrans55.926-174.9-49.40000112.8I32 P33 I37I32-S35 PolarHBondContact O-N 3.02Å; I32-S35 VanDerWaalsContact O-N 3.07Å; P33-S35 PolarHBondContact O-N 3.3Å; S35-I37 PolarHBondContact O-N 3.37Å
36N92.8Very high94.6Very high62 Ų6258 Ų5833%0.33231%0.305SS..  trans-93.692.4174.4-170.7-27.3000110.2T34 Q38 I39 T40T34-N36 PolarHBondContact O-N 2.95Å; T34-N36 VanDerWaalsContact O-N 3.15Å; T34-N36 WeakPolarHBondContact OG1-CB 3.33Å; T34-N36 PolarHBondContact OG1-N 3.41Å; N36-Q38 PolarHBondContact O-N 3.42Å; N36-Q38 WeakPolarHBondContact OD1-CB 3.26Å; N36-Q38 PolarHBondContact OD1-N 2.86Å; N36-Q38 VanDerWaalsContact OD1-N 3.13Å; N36-I39 HydrophobicContact CB-CB 4.47Å; N36-I39 HydrophobicContact CB-CD1 4.22Å; N36-I39 HydrophobicContact CB-CG1 4.38Å; N36-I39 VanDerWaalsContact ND2-CD1 3.33Å; N36-I39 WeakPolarHBondContact ND2-CD1 3.32Å; N36-I39 PolarHBondContact O-N 2.96Å; N36-I39 PolarHBondContact OD1-N 3.29Å; N36-T40 PolarHBondContact O-N 3.12Å; N36-T40 PolarHBondContact O-OG1 2.98Å
37I94.4Very high94.4Very high71 Ų7155.1 Ų55.136%0.36429%0.291SS..Hα-helixtrans-59.7-30.5-178.2-168.758000112.7S35 T41 F75 T79 L83S35-I37 PolarHBondContact O-N 3.37Å; I37-T41 WeakPolarHBondContact O-CB 3.49Å; I37-T41 PolarHBondContact O-N 3.03Å; I37-T41 PolarHBondContact O-OG1 3.03Å; I37-F75 HydrophobicContact CB-CD1 4.19Å; I37-F75 HydrophobicContact CB-CE1 3.86Å; I37-F75 HydrophobicContact CB-CZ 4.41Å; I37-F75 HydrophobicContact CD1-CD1 3.96Å; I37-F75 HydrophobicContact CD1-CD2 4.12Å; I37-F75 HydrophobicContact CD1-CE1 4.11Å; I37-F75 HydrophobicContact CD1-CE2 4.26Å; I37-F75 HydrophobicContact CD1-CG 3.95Å; I37-F75 HydrophobicContact CD1-CZ 4.25Å; I37-T79 HydrophobicContact CD1-CG2 3.58Å; I37-T79 HydrophobicContact CG1-CG2 4.39Å; I37-L83 HydrophobicContact CD1-CD1 3.91Å
38Q95.7Very high94.1Very high143 Ų14358.6 Ų58.667%0.66830%0.301SS*.Hα-helixtrans-66.3-47.2-179.2-173.1178.82.900110.7N36 T41 S42N36-Q38 PolarHBondContact O-N 3.42Å; N36-Q38 WeakPolarHBondContact OD1-CB 3.26Å; N36-Q38 PolarHBondContact OD1-N 2.86Å; N36-Q38 VanDerWaalsContact OD1-N 3.13Å; Q38-T41 PolarHBondContact O-N 2.63Å; Q38-S42 WeakPolarHBondContact O-CB 3.49Å; Q38-S42 PolarHBondContact O-N 3.25Å; Q38-S42 PolarHBondContact O-OG 3.09Å; Q38-S42 VanDerWaalsContact O-OG 3.04Å
39I95.4Very high93.7Very high79 Ų7959.8 Ų59.841%0.40531%0.313SS..Hα-helixtrans-65.2-47.4178.8-62.3175.6000110.3A31 N36 T41 S42 L43A31-I39 HydrophobicContact CB-CB 4.43Å; A31-I39 HydrophobicContact CB-CG2 3.68Å; N36-I39 HydrophobicContact CB-CB 4.47Å; N36-I39 HydrophobicContact CB-CD1 4.22Å; N36-I39 HydrophobicContact CB-CG1 4.38Å; N36-I39 VanDerWaalsContact ND2-CD1 3.33Å; N36-I39 WeakPolarHBondContact ND2-CD1 3.32Å; N36-I39 PolarHBondContact O-N 2.96Å; N36-I39 PolarHBondContact OD1-N 3.29Å; I39-T41 VanDerWaalsContact C-N 3.3Å; I39-T41 PolarHBondContact O-N 3.04Å; I39-S42 PolarHBondContact O-N 2.99Å; I39-L43 HydrophobicContact CG2-CD1 4.12Å; I39-L43 WeakPolarHBondContact O-CG 3.44Å; I39-L43 PolarHBondContact O-N 3.14Å; I39-L43 VanDerWaalsContact O-N 3.08Å
40T96.1Very high93.3Very high0 Ų060.4 Ų60.40%032%0.324CS..Hα-helixtrans-58.2-44177.9-59.30000111.4L28 I32 N36 L43 L44 I71 F75L28-T40 HydrophobicContact CD2-CG2 4.39Å; I32-T40 HydrophobicContact CG1-CG2 3.8Å; N36-T40 PolarHBondContact O-N 3.12Å; N36-T40 PolarHBondContact O-OG1 2.98Å; T40-L43 PolarHBondContact O-N 3.48Å; T40-L44 HydrophobicContact CG2-CD1 3.93Å; T40-L44 VanDerWaalsContact O-CG 3.29Å; T40-L44 WeakPolarHBondContact O-CG 3.29Å; T40-L44 PolarHBondContact O-N 3.37Å; T40-L44 VanDerWaalsContact O-N 3.14Å; T40-I71 HydrophobicContact CG2-CD1 4.25Å; T40-I71 HydrophobicContact CG2-CG1 4.29Å; T40-F75 HydrophobicContact CG2-CE2 4.37Å
41T95.7Very high93.1Very high37 Ų3760.2 Ų60.223%0.22732%0.324CS..Hα-helixtrans-64-48.6178.2-57.20000110.9I37 Q38 I39 L43 L44 I45 L83I37-T41 WeakPolarHBondContact O-CB 3.49Å; I37-T41 PolarHBondContact O-N 3.03Å; I37-T41 PolarHBondContact O-OG1 3.03Å; Q38-T41 PolarHBondContact O-N 2.63Å; I39-T41 VanDerWaalsContact C-N 3.3Å; I39-T41 PolarHBondContact O-N 3.04Å; T41-L43 VanDerWaalsContact C-N 3.28Å; T41-L43 PolarHBondContact O-N 3.28Å; T41-L44 PolarHBondContact O-N 2.93Å; T41-L44 VanDerWaalsContact O-N 3.12Å; T41-I45 HydrophobicContact CG2-CG2 3.96Å; T41-I45 WeakPolarHBondContact O-CG1 3.32Å; T41-I45 WeakPolarHBondContact O-CG2 3.16Å; T41-I45 PolarHBondContact O-N 3.08Å; T41-L83 HydrophobicContact CG2-CD2 3.91Å
42S95.5Very high92.9Very high58 Ų5860 Ų6041%0.40632%0.322SS..Hα-helixtrans-55-43.2179.5-66.30000112.3Q38 I39 I45Q38-S42 WeakPolarHBondContact O-CB 3.49Å; Q38-S42 PolarHBondContact O-N 3.25Å; Q38-S42 PolarHBondContact O-OG 3.09Å; Q38-S42 VanDerWaalsContact O-OG 3.04Å; I39-S42 PolarHBondContact O-N 2.99Å; S42-I45 WeakPolarHBondContact O-CG1 3.22Å
43L95Very high92.7Very high28 Ų2862.7 Ų62.715%0.14734%0.337CS..Hα-helixtrans-65.8-42.5177.7-68.1169000112.4F24 E27 L28 A31 I39 T40 T41 F47F24-L43 HydrophobicContact CD1-CB 4.46Å; F24-L43 HydrophobicContact CD1-CD2 3.87Å; F24-L43 HydrophobicContact CE1-CD2 3.9Å; E27-L43 HydrophobicContact CB-CD1 3.98Å; E27-L43 HydrophobicContact CB-CD2 4.17Å; L28-L43 HydrophobicContact CD2-CB 3.65Å; L28-L43 HydrophobicContact CD2-CD1 3.93Å; L28-L43 HydrophobicContact CD2-CG 4.47Å; L28-L43 HydrophobicContact CG-CB 4.17Å; L28-L43 HydrophobicContact CG-CD1 4.21Å; A31-L43 HydrophobicContact CB-CD1 3.98Å; I39-L43 HydrophobicContact CG2-CD1 4.12Å; I39-L43 WeakPolarHBondContact O-CG 3.44Å; I39-L43 PolarHBondContact O-N 3.14Å; I39-L43 VanDerWaalsContact O-N 3.08Å; T40-L43 PolarHBondContact O-N 3.48Å; T41-L43 VanDerWaalsContact C-N 3.28Å; T41-L43 PolarHBondContact O-N 3.28Å; L43-F47 WeakPolarHBondContact O-CE1 3.4Å; L43-F47 WeakPolarHBondContact O-CZ 3.4Å
44L94.7Very high92.7Very high3 Ų364.7 Ų64.72%0.01634%0.34CS..Hα-helixtrans-69.8-38.6-177.7-70.9169.6000112.9L28 T40 T41 D46 F47 I67 W68 I71 L83 V87L28-L44 HydrophobicContact CD1-CD2 4.01Å; L28-L44 HydrophobicContact CD2-CD2 4.06Å; L28-L44 HydrophobicContact CD2-CG 4.02Å; T40-L44 HydrophobicContact CG2-CD1 3.93Å; T40-L44 VanDerWaalsContact O-CG 3.29Å; T40-L44 WeakPolarHBondContact O-CG 3.29Å; T40-L44 PolarHBondContact O-N 3.37Å; T40-L44 VanDerWaalsContact O-N 3.14Å; T41-L44 PolarHBondContact O-N 2.93Å; T41-L44 VanDerWaalsContact O-N 3.12Å; L44-D46 PolarHBondContact O-N 2.91Å; L44-F47 HydrophobicContact CD2-CE2 3.97Å; L44-F47 WeakPolarHBondContact O-CD2 3Å; L44-F47 PolarHBondContact O-N 3.2Å; L44-I67 HydrophobicContact CD2-CG2 4.23Å; L44-W68 HydrophobicContact CD1-CZ3 4.37Å; L44-W68 HydrophobicContact CD2-CH2 4.36Å; L44-W68 HydrophobicContact CD2-CZ3 4.49Å; L44-I71 HydrophobicContact CD1-CD1 3.64Å; L44-L83 HydrophobicContact CD1-CB 4.24Å; L44-L83 HydrophobicContact CD1-CD1 3.95Å; L44-L83 HydrophobicContact CD1-CG 4.49Å; L44-V87 HydrophobicContact CB-CG2 3.94Å; L44-V87 HydrophobicContact CD2-CG2 4.5Å
45I92.4Very high92.7Very high58 Ų5860.7 Ų60.730%0.29732%0.316SS..THydrogen-bonded Turntrans-75.7-6.2-177.868.7173.3000113T41 S42 F47 V86 R90T41-I45 HydrophobicContact CG2-CG2 3.96Å; T41-I45 WeakPolarHBondContact O-CG1 3.32Å; T41-I45 WeakPolarHBondContact O-CG2 3.16Å; T41-I45 PolarHBondContact O-N 3.08Å; S42-I45 WeakPolarHBondContact O-CG1 3.22Å; I45-F47 VanDerWaalsContact C-N 3.3Å; I45-V86 HydrophobicContact CG2-CG1 3.87Å; I45-R90 PolarHBondContact O-NE 2.99Å; I45-R90 PolarHBondContact O-NH1 3.33Å; I45-R90 VanDerWaalsContact O-NH1 3.15Å; I45-R90 PolarHBondContact O-NH2 3.36Å
46D90.7Very high92.9Very high94 Ų9459.4 Ų59.450%0.50330%0.302SS..THydrogen-bonded Turntrans-78.9-18.4175.9-77.9-13.5000112.1F24 L44F24-D46 HydrophobicContact CE1-CB 4.25Å; F24-D46 HydrophobicContact CZ-CB 4.14Å; L44-D46 PolarHBondContact O-N 2.91Å
47F90.5Very high93Very high8 Ų862 Ų624%0.03532%0.316CS..  trans-70.7141.1-178-53.5-29.3000113.2F24 L28 L43 L44 I45 E51 V55 R90F24-F47 HydrophobicContact CB-CE1 3.85Å; F24-F47 HydrophobicContact CB-CZ 3.96Å; F24-F47 AromaticContact CD1-CE1 3.51Å; F24-F47 HydrophobicContact CD1-CE1 3.51Å; F24-F47 AromaticContact CD1-CZ 3.93Å; F24-F47 HydrophobicContact CD1-CZ 3.93Å; F24-F47 AromaticContact CD2-CE1 3.92Å; F24-F47 HydrophobicContact CD2-CE1 3.92Å; F24-F47 AromaticContact CE1-CE1 3.92Å; F24-F47 HydrophobicContact CE1-CE1 3.92Å; F24-F47 HydrophobicContact CE2-CE1 4.3Å; F24-F47 AromaticContact CG-CE1 3.51Å; F24-F47 HydrophobicContact CG-CE1 3.51Å; F24-F47 HydrophobicContact CG-CZ 4.04Å; F24-F47 HydrophobicContact CZ-CE1 4.3Å; L28-F47 HydrophobicContact CD1-CE2 4.14Å; L28-F47 HydrophobicContact CD1-CZ 4Å; L43-F47 WeakPolarHBondContact O-CE1 3.4Å; L43-F47 WeakPolarHBondContact O-CZ 3.4Å; L44-F47 HydrophobicContact CD2-CE2 3.97Å; L44-F47 WeakPolarHBondContact O-CD2 3Å; L44-F47 PolarHBondContact O-N 3.2Å; I45-F47 VanDerWaalsContact C-N 3.3Å; F47-E51 HydrophobicContact CB-CB 4.48Å; F47-V55 HydrophobicContact CD1-CG2 4.49Å; F47-V55 HydrophobicContact CE1-CG2 3.9Å; F47-V55 HydrophobicContact CE2-CB 4.3Å; F47-V55 HydrophobicContact CE2-CG1 4.09Å; F47-V55 HydrophobicContact CE2-CG2 4.42Å; F47-V55 HydrophobicContact CZ-CB 4.11Å; F47-V55 HydrophobicContact CZ-CG1 3.78Å; F47-V55 HydrophobicContact CZ-CG2 3.87Å; F47-R90 PolarHBondContact O-NE 3Å
48W87.2Confident93.1Very high160 Ų16059.8 Ų59.861%0.60631%0.306SS*.  trans-132.1141.6171.7-80.289000111.8D50 E51 R90W48-D50 PolarHBondContact O-N 2.72Å; W48-E51 PolarHBondContact N-OE2 3.26Å; W48-E51 WeakPolarHBondContact O-CB 3.29Å; W48-E51 VanDerWaalsContact O-CG 3.27Å; W48-E51 WeakPolarHBondContact O-CG 3.44Å; W48-E51 PolarHBondContact O-N 3.44Å; W48-R90 VanDerWaalsContact CE2-NH2 3.33Å
49G87Confident93.2Very high25 Ų2553.2 Ų53.226%0.25828%0.275SS..THydrogen-bonded Turntrans55.4-132.3178.200000112.7E51 R90G49-E51 VanDerWaalsContact C-N 3.26Å; G49-E51 PolarHBondContact O-N 2.9Å; G49-R90 PolarHBondContact N-O 3.39Å
50D88.1Confident93.2Very high119 Ų11955.5 Ų55.564%0.63628%0.282SS*.THydrogen-bonded Turntrans-79-5.1-173-58.6-20.5000113.7W48 S52 D53 Q54W48-D50 PolarHBondContact O-N 2.72Å; D50-S52 PolarHBondContact O-N 3.08Å; D50-D53 PolarHBondContact O-N 3.02Å; D50-Q54 PolarHBondContact O-N 3.45Å
51E90.7Very high93.1Very high95 Ų9562.1 Ų62.144%0.44432%0.317SS..Hα-helixtrans-55.3-41.1178.7-68.5174160.200111.4F47 W48 G49 D53 Q54 V55F47-E51 HydrophobicContact CB-CB 4.48Å; W48-E51 PolarHBondContact N-OE2 3.26Å; W48-E51 WeakPolarHBondContact O-CB 3.29Å; W48-E51 VanDerWaalsContact O-CG 3.27Å; W48-E51 WeakPolarHBondContact O-CG 3.44Å; W48-E51 PolarHBondContact O-N 3.44Å; G49-E51 VanDerWaalsContact C-N 3.26Å; G49-E51 PolarHBondContact O-N 2.9Å; E51-D53 VanDerWaalsContact C-N 3.27Å; E51-D53 PolarHBondContact O-N 3.14Å; E51-Q54 PolarHBondContact O-N 2.67Å; E51-V55 WeakPolarHBondContact O-CG2 3.44Å; E51-V55 PolarHBondContact O-N 3.19Å
52S92.4Very high92.8Very high3 Ų364.9 Ų64.92%0.02132%0.324CS..Hα-helixtrans-61.5-35.9179.269.80000112.4D50 K56 K91D50-S52 PolarHBondContact O-N 3.08Å; S52-K56 WeakPolarHBondContact O-CB 3.48Å; S52-K56 WeakPolarHBondContact O-CE 3.3Å; S52-K56 VanDerWaalsContact O-CG 3.24Å; S52-K56 WeakPolarHBondContact O-CG 3.33Å; S52-K56 PolarHBondContact O-N 2.96Å; S52-K56 PolarHBondContact OG-NZ 3.31Å; S52-K91 WeakPolarHBondContact OG-CE 3.43Å
53D93.1Very high92.7Very high59 Ų5963.3 Ų63.332%0.31631%0.313SS..Hα-helixtrans-73-34.6-178.8-69.7-29.5000111.3D50 E51 K56 N57 K91D50-D53 PolarHBondContact O-N 3.02Å; E51-D53 VanDerWaalsContact C-N 3.27Å; E51-D53 PolarHBondContact O-N 3.14Å; D53-K56 WeakPolarHBondContact OD1-CE 3.28Å; D53-K56 IonicContact OD1-NZ 2.99Å; D53-K56 PolarHBondContact OD1-NZ 3.43Å; D53-N57 VanDerWaalsContact O-CG 3.31Å; D53-N57 PolarHBondContact O-N 3.26Å; D53-N57 VanDerWaalsContact O-N 3.15Å; D53-N57 PolarHBondContact O-ND2 2.82Å; D53-N57 VanDerWaalsContact O-ND2 3.14Å; D53-K91 WeakPolarHBondContact OD1-CE 3.38Å; D53-K91 IonicContact OD1-NZ 3.26Å; D53-K91 PolarHBondContact OD1-NZ 2.98Å; D53-K91 WeakPolarHBondContact OD2-CE 3.3Å; D53-K91 IonicContact OD2-NZ 2.91Å; D53-K91 PolarHBondContact OD2-NZ 3.05Å
54Q93.7Very high92.7Very high107 Ų10768.7 Ų68.750%0.534%0.342SS..Hα-helixtrans-63.7-49.6172.2-63.1177.11.100111D50 E51 K56 N57 V58D50-Q54 PolarHBondContact O-N 3.45Å; E51-Q54 PolarHBondContact O-N 2.67Å; Q54-K56 VanDerWaalsContact C-N 3.35Å; Q54-K56 PolarHBondContact O-N 3.34Å; Q54-N57 PolarHBondContact O-N 3.43Å; Q54-V58 WeakPolarHBondContact O-CG2 3.44Å; Q54-V58 PolarHBondContact O-N 3.15Å
55V95.7Very high92.7Very high4 Ų471.3 Ų71.32%0.02435%0.354CS..Hα-helixtrans-60.7-42.6178.2176.90000111.5F24 A25 L28 F47 E51 N57 V58 Y59 I67F24-V55 HydrophobicContact CB-CG1 4.12Å; F24-V55 HydrophobicContact CB-CG2 3.87Å; A25-V55 HydrophobicContact CB-CG1 4.23Å; L28-V55 HydrophobicContact CD1-CG1 3.86Å; F47-V55 HydrophobicContact CD1-CG2 4.49Å; F47-V55 HydrophobicContact CE1-CG2 3.9Å; F47-V55 HydrophobicContact CE2-CB 4.3Å; F47-V55 HydrophobicContact CE2-CG1 4.09Å; F47-V55 HydrophobicContact CE2-CG2 4.42Å; F47-V55 HydrophobicContact CZ-CB 4.11Å; F47-V55 HydrophobicContact CZ-CG1 3.78Å; F47-V55 HydrophobicContact CZ-CG2 3.87Å; E51-V55 WeakPolarHBondContact O-CG2 3.44Å; E51-V55 PolarHBondContact O-N 3.19Å; V55-N57 VanDerWaalsContact C-N 3.31Å; V55-N57 PolarHBondContact O-N 2.88Å; V55-V58 PolarHBondContact O-N 3.38Å; V55-Y59 WeakPolarHBondContact O-CB 3.39Å; V55-Y59 PolarHBondContact O-N 2.93Å; V55-I67 HydrophobicContact CG1-CD1 4.05Å
56K94.7Very high92.8Very high34 Ų3471.1 Ų71.115%0.14836%0.358CS..Hα-helixtrans-56.3-44.2175.7-80.3172.2-120.3169.10112.3S52 D53 Q54 K60 I67 E88S52-K56 WeakPolarHBondContact O-CB 3.48Å; S52-K56 WeakPolarHBondContact O-CE 3.3Å; S52-K56 VanDerWaalsContact O-CG 3.24Å; S52-K56 WeakPolarHBondContact O-CG 3.33Å; S52-K56 PolarHBondContact O-N 2.96Å; S52-K56 PolarHBondContact OG-NZ 3.31Å; D53-K56 WeakPolarHBondContact OD1-CE 3.28Å; D53-K56 IonicContact OD1-NZ 2.99Å; D53-K56 PolarHBondContact OD1-NZ 3.43Å; Q54-K56 VanDerWaalsContact C-N 3.35Å; Q54-K56 PolarHBondContact O-N 3.34Å; K56-K60 PolarHBondContact O-N 3.18Å; K56-I67 HydrophobicContact CB-CD1 4.38Å; K56-I67 HydrophobicContact CG-CD1 3.89Å; K56-E88 IonicContact NZ-OE1 2.75Å; K56-E88 PolarHBondContact NZ-OE1 3.5Å
57N94.5Very high93.1Very high117 Ų11766.8 Ų66.863%0.62634%0.335SS*.Hα-helixtrans-66.6-43.4179.9-72.9-30.9000111.7D53 Q54 V55D53-N57 VanDerWaalsContact O-CG 3.31Å; D53-N57 PolarHBondContact O-N 3.26Å; D53-N57 VanDerWaalsContact O-N 3.15Å; D53-N57 PolarHBondContact O-ND2 2.82Å; D53-N57 VanDerWaalsContact O-ND2 3.14Å; Q54-N57 PolarHBondContact O-N 3.43Å; V55-N57 VanDerWaalsContact C-N 3.31Å; V55-N57 PolarHBondContact O-N 2.88Å
58V96.2Very high93.4Very high25 Ų2567.7 Ų67.715%0.15234%0.338CS..Hα-helixtrans-68.7-42.3179178.90000111.4I22 A25 Q54 V55 K60 L61 Y62I22-V58 HydrophobicContact CG1-CG1 4.08Å; A25-V58 HydrophobicContact CB-CB 3.9Å; A25-V58 HydrophobicContact CB-CG1 3.64Å; Q54-V58 WeakPolarHBondContact O-CG2 3.44Å; Q54-V58 PolarHBondContact O-N 3.15Å; V55-V58 PolarHBondContact O-N 3.38Å; V58-K60 PolarHBondContact O-N 3.35Å; V58-L61 VanDerWaalsContact O-CB 3.25Å; V58-L61 WeakPolarHBondContact O-CB 3.05Å; V58-L61 PolarHBondContact O-N 2.9Å; V58-Y62 HydrophobicContact CG1-CD2 4.23Å; V58-Y62 HydrophobicContact CG1-CE2 3.71Å; V58-Y62 WeakPolarHBondContact O-CD2 3.29Å
59Y97.3Very high93.9Very high4 Ų464 Ų642%0.01633%0.326CS..Hα-helixtrans-55.7-40.1177.9-177.5-89.3000112.7A25 L28 Y29 I32 V55 L61 Y62 S63 I67 S70A25-Y59 WeakPolarHBondContact O-CD2 3.24Å; L28-Y59 HydrophobicContact CB-CD2 4.08Å; L28-Y59 HydrophobicContact CB-CE2 4.02Å; Y29-Y59 HydrophobicContact CD2-CE2 4.42Å; I32-Y59 HydrophobicContact CD1-CE2 4.1Å; V55-Y59 WeakPolarHBondContact O-CB 3.39Å; V55-Y59 PolarHBondContact O-N 2.93Å; Y59-L61 PolarHBondContact O-N 2.75Å; Y59-Y62 WeakPolarHBondContact O-CB 3.46Å; Y59-Y62 PolarHBondContact O-N 3.04Å; Y59-S63 VanDerWaalsContact CD1-OG 3.25Å; Y59-S63 WeakPolarHBondContact CD1-OG 3.18Å; Y59-S63 WeakPolarHBondContact CE1-OG 3.43Å; Y59-S63 PolarHBondContact O-N 3.3Å; Y59-S63 PolarHBondContact O-OG 3.19Å; Y59-I67 HydrophobicContact CD1-CB 4.21Å; Y59-I67 HydrophobicContact CD1-CD1 4.47Å; Y59-I67 HydrophobicContact CD1-CG1 3.33Å; Y59-I67 HydrophobicContact CD2-CD1 4.29Å; Y59-I67 HydrophobicContact CD2-CG1 3.69Å; Y59-I67 HydrophobicContact CE1-CB 4.37Å; Y59-I67 HydrophobicContact CE1-CG1 3.88Å; Y59-I67 HydrophobicContact CE2-CG1 4.18Å; Y59-I67 HydrophobicContact CG-CB 4.47Å; Y59-I67 HydrophobicContact CG-CD1 3.95Å; Y59-I67 HydrophobicContact CG-CG1 3.22Å; Y59-S70 VanDerWaalsContact OH-CB 3.3Å; Y59-S70 WeakPolarHBondContact OH-CB 3.36Å; Y59-S70 PolarHBondContact OH-OG 3.34Å
60K95.6Very high94.4Very high127 Ų12763.5 Ų63.555%0.55232%0.319SS*.Hα-helixtrans-61.3-25.8178.8-167.9174.9-179.7-179.30112.7K56 V58 Y62 N64 E65K56-K60 PolarHBondContact O-N 3.18Å; V58-K60 PolarHBondContact O-N 3.35Å; K60-Y62 VanDerWaalsContact C-N 3.34Å; K60-N64 VanDerWaalsContact O-CA 3.3Å; K60-N64 WeakPolarHBondContact O-CA 3.32Å; K60-N64 PolarHBondContact O-N 3.15Å; K60-N64 VanDerWaalsContact O-N 3.08Å; K60-E65 WeakPolarHBondContact CA-O 3.5Å
61L93.9Very high94.9Very high139 Ų13957.9 Ų57.973%0.72829%0.289SS*.Hα-helixtrans-71.1-30.1173.8-55.8175000112.2V58 Y59V58-L61 VanDerWaalsContact O-CB 3.25Å; V58-L61 WeakPolarHBondContact O-CB 3.05Å; V58-L61 PolarHBondContact O-N 2.9Å; Y59-L61 PolarHBondContact O-N 2.75Å
62Y90.8Very high95.2Very high95 Ų9557.5 Ų57.537%0.37329%0.287SS..Hα-helixtrans-84.4-42.9179.4-71.1-75.1000113I22 A25 V58 Y59 K60I22-Y62 WeakPolarHBondContact CG2-OH 3.25Å; A25-Y62 HydrophobicContact CB-CD2 4.26Å; A25-Y62 HydrophobicContact CB-CE2 4.27Å; V58-Y62 HydrophobicContact CG1-CD2 4.23Å; V58-Y62 HydrophobicContact CG1-CE2 3.71Å; V58-Y62 WeakPolarHBondContact O-CD2 3.29Å; Y59-Y62 WeakPolarHBondContact O-CB 3.46Å; Y59-Y62 PolarHBondContact O-N 3.04Å; K60-Y62 VanDerWaalsContact C-N 3.34Å
63S93.3Very high95.4Very high25 Ų2563.3 Ų63.318%0.17531%0.314CS..Hα-helixtrans-98.9-15.2-171.464.60000114.6Y59 E65Y59-S63 VanDerWaalsContact CD1-OG 3.25Å; Y59-S63 WeakPolarHBondContact CD1-OG 3.18Å; Y59-S63 WeakPolarHBondContact CE1-OG 3.43Å; Y59-S63 PolarHBondContact O-N 3.3Å; Y59-S63 PolarHBondContact O-OG 3.19Å; S63-E65 PolarHBondContact O-N 3.38Å; S63-E65 PolarHBondContact OG-N 3.41Å; S63-E65 PolarHBondContact OG-O 2.95Å
64N93.4Very high95.6Very high142 Ų14267.1 Ų67.176%0.75932%0.324SS*.SBendtrans59.810.1-162.2-65-45.7000114.8K60K60-N64 VanDerWaalsContact O-CA 3.3Å; K60-N64 WeakPolarHBondContact O-CA 3.32Å; K60-N64 PolarHBondContact O-N 3.15Å; K60-N64 VanDerWaalsContact O-N 3.08Å
65E95Very high95.7Very high57 Ų5764 Ų6427%0.26631%0.308SS..SBendtrans-135.4167.9-177.1-58.4-160.3156.800112K60 S63 K69K60-E65 WeakPolarHBondContact CA-O 3.5Å; S63-E65 PolarHBondContact O-N 3.38Å; S63-E65 PolarHBondContact OG-N 3.41Å; S63-E65 PolarHBondContact OG-O 2.95Å; E65-K69 HydrophobicContact CB-CD 4.41Å; E65-K69 HydrophobicContact CG-CD 4.47Å; E65-K69 IonicContact OE1-NZ 2.69Å; E65-K69 PolarHBondContact OE1-NZ 2.96Å; E65-K69 WeakPolarHBondContact OE2-CD 3.46Å; E65-K69 WeakPolarHBondContact OE2-CE 3.48Å; E65-K69 IonicContact OE2-NZ 3.36Å; E65-K69 PolarHBondContact OE2-NZ 3Å
66S95.9Very high95.8Very high55 Ų5565.2 Ų65.239%0.38532%0.322SS..  trans-76.5149172.567.60000110.3W68 K69 S70S66-W68 PolarHBondContact O-N 3.32Å; S66-K69 PolarHBondContact O-N 3.28Å; S66-K69 VanDerWaalsContact O-N 3.12Å; S66-K69 VanDerWaalsContact OG-CB 3.31Å; S66-K69 WeakPolarHBondContact OG-CB 3.49Å; S66-K69 PolarHBondContact OG-N 3.29Å; S66-K69 VanDerWaalsContact OG-N 3.09Å; S66-S70 PolarHBondContact O-N 3.34Å; S66-S70 VanDerWaalsContact O-N 3.12Å; S66-S70 PolarHBondContact O-OG 3.07Å
67I96.6Very high96Very high3 Ų367.7 Ų67.72%0.01533%0.333CS..Hα-helixtrans-49.7-45.7172.1-66173.2000110.4L28 I32 L44 V55 K56 Y59 K69 S70 I71L28-I67 HydrophobicContact CD1-CD1 3.94Å; I32-I67 HydrophobicContact CD1-CG2 4.3Å; L44-I67 HydrophobicContact CD2-CG2 4.23Å; V55-I67 HydrophobicContact CG1-CD1 4.05Å; K56-I67 HydrophobicContact CB-CD1 4.38Å; K56-I67 HydrophobicContact CG-CD1 3.89Å; Y59-I67 HydrophobicContact CD1-CB 4.21Å; Y59-I67 HydrophobicContact CD1-CD1 4.47Å; Y59-I67 HydrophobicContact CD1-CG1 3.33Å; Y59-I67 HydrophobicContact CD2-CD1 4.29Å; Y59-I67 HydrophobicContact CD2-CG1 3.69Å; Y59-I67 HydrophobicContact CE1-CB 4.37Å; Y59-I67 HydrophobicContact CE1-CG1 3.88Å; Y59-I67 HydrophobicContact CE2-CG1 4.18Å; Y59-I67 HydrophobicContact CG-CB 4.47Å; Y59-I67 HydrophobicContact CG-CD1 3.95Å; Y59-I67 HydrophobicContact CG-CG1 3.22Å; I67-K69 PolarHBondContact O-N 2.93Å; I67-S70 PolarHBondContact O-N 3.33Å; I67-I71 HydrophobicContact CG2-CD1 3.63Å; I67-I71 HydrophobicContact CG2-CG1 4.32Å; I67-I71 WeakPolarHBondContact O-CG1 3.4Å; I67-I71 PolarHBondContact O-N 3.25Å
68W97Very high96.2Very high27 Ų2767 Ų6710%0.10233%0.334CS..Hα-helixtrans-61.8-44.2-178.9-54.5133.2000112.5L44 S66 S70 I71 E72 E80 L83 Q84 V87L44-W68 HydrophobicContact CD1-CZ3 4.37Å; L44-W68 HydrophobicContact CD2-CH2 4.36Å; L44-W68 HydrophobicContact CD2-CZ3 4.49Å; S66-W68 PolarHBondContact O-N 3.32Å; W68-S70 VanDerWaalsContact C-N 3.32Å; W68-S70 PolarHBondContact O-N 3.23Å; W68-I71 HydrophobicContact CE3-CD1 3.86Å; W68-I71 HydrophobicContact CZ3-CD1 3.92Å; W68-I71 PolarHBondContact O-N 2.83Å; W68-I71 VanDerWaalsContact O-N 3.17Å; W68-E72 WeakPolarHBondContact O-CB 3.41Å; W68-E72 PolarHBondContact O-N 3.29Å; W68-E80 HydrophobicContact CB-CG 4.04Å; W68-E80 WeakPolarHBondContact CB-OE1 3.47Å; W68-E80 HydrophobicContact CE3-CG 4.44Å; W68-E80 WeakPolarHBondContact O-CG 3.35Å; W68-L83 HydrophobicContact CZ3-CB 4.39Å; W68-Q84 HydrophobicContact CD2-CB 4.16Å; W68-Q84 HydrophobicContact CD2-CG 4.11Å; W68-Q84 HydrophobicContact CE3-CB 3.98Å; W68-Q84 HydrophobicContact CE3-CG 4.43Å; W68-Q84 HydrophobicContact CH2-CB 4.07Å; W68-Q84 HydrophobicContact CH2-CG 4.25Å; W68-Q84 HydrophobicContact CZ2-CB 4.19Å; W68-Q84 HydrophobicContact CZ2-CG 3.86Å; W68-Q84 HydrophobicContact CZ3-CB 3.96Å; W68-V87 HydrophobicContact CH2-CB 4.02Å; W68-V87 HydrophobicContact CH2-CG1 4.43Å; W68-V87 HydrophobicContact CH2-CG2 3.94Å; W68-V87 HydrophobicContact CZ2-CB 4.43Å; W68-V87 HydrophobicContact CZ2-CG1 4.49Å
69K97.3Very high96.2Very high83 Ų8367.8 Ų67.836%0.36134%0.34SS..Hα-helixtrans-59.9-44.6175.6-173.3178.4175.9-148.20111.2E65 S66 I67 I71 E72 E73E65-K69 HydrophobicContact CB-CD 4.41Å; E65-K69 HydrophobicContact CG-CD 4.47Å; E65-K69 IonicContact OE1-NZ 2.69Å; E65-K69 PolarHBondContact OE1-NZ 2.96Å; E65-K69 WeakPolarHBondContact OE2-CD 3.46Å; E65-K69 WeakPolarHBondContact OE2-CE 3.48Å; E65-K69 IonicContact OE2-NZ 3.36Å; E65-K69 PolarHBondContact OE2-NZ 3Å; S66-K69 PolarHBondContact O-N 3.28Å; S66-K69 VanDerWaalsContact O-N 3.12Å; S66-K69 VanDerWaalsContact OG-CB 3.31Å; S66-K69 WeakPolarHBondContact OG-CB 3.49Å; S66-K69 PolarHBondContact OG-N 3.29Å; S66-K69 VanDerWaalsContact OG-N 3.09Å; I67-K69 PolarHBondContact O-N 2.93Å; K69-I71 VanDerWaalsContact C-N 3.32Å; K69-I71 PolarHBondContact O-N 3.18Å; K69-E72 PolarHBondContact O-N 3.05Å; K69-E73 WeakPolarHBondContact CE-OE1 3.32Å; K69-E73 IonicContact NZ-OE1 3.56Å; K69-E73 WeakPolarHBondContact O-CB 3.46Å; K69-E73 WeakPolarHBondContact O-CG 3.32Å; K69-E73 PolarHBondContact O-N 2.83Å
70S97.2Very high96.2Very high14 Ų1468 Ų6810%0.09834%0.341CS..Hα-helixtrans-65.1-34.1177.9-54.30000113I32 Y59 S66 I67 W68 R74I32-S70 WeakPolarHBondContact CG2-O 3.39Å; Y59-S70 VanDerWaalsContact OH-CB 3.3Å; Y59-S70 WeakPolarHBondContact OH-CB 3.36Å; Y59-S70 PolarHBondContact OH-OG 3.34Å; S66-S70 PolarHBondContact O-N 3.34Å; S66-S70 VanDerWaalsContact O-N 3.12Å; S66-S70 PolarHBondContact O-OG 3.07Å; I67-S70 PolarHBondContact O-N 3.33Å; W68-S70 VanDerWaalsContact C-N 3.32Å; W68-S70 PolarHBondContact O-N 3.23Å; S70-R74 WeakPolarHBondContact O-CB 3.49Å; S70-R74 PolarHBondContact O-N 2.91Å
71I97.6Very high96.3Very high0 Ų065.6 Ų65.60%033%0.334CS..Hα-helixtrans-70.2-44.1174.1-68.4170.2000110.8I32 T40 L44 I67 W68 K69 E73 R74 F75 E80 L83I32-I71 HydrophobicContact CD1-CD1 4.48Å; I32-I71 HydrophobicContact CD1-CG1 3.88Å; I32-I71 HydrophobicContact CG1-CG1 4.2Å; T40-I71 HydrophobicContact CG2-CD1 4.25Å; T40-I71 HydrophobicContact CG2-CG1 4.29Å; L44-I71 HydrophobicContact CD1-CD1 3.64Å; I67-I71 HydrophobicContact CG2-CD1 3.63Å; I67-I71 HydrophobicContact CG2-CG1 4.32Å; I67-I71 WeakPolarHBondContact O-CG1 3.4Å; I67-I71 PolarHBondContact O-N 3.25Å; W68-I71 HydrophobicContact CE3-CD1 3.86Å; W68-I71 HydrophobicContact CZ3-CD1 3.92Å; W68-I71 PolarHBondContact O-N 2.83Å; W68-I71 VanDerWaalsContact O-N 3.17Å; K69-I71 VanDerWaalsContact C-N 3.32Å; K69-I71 PolarHBondContact O-N 3.18Å; I71-E73 PolarHBondContact O-N 3.46Å; I71-R74 PolarHBondContact O-N 3.33Å; I71-F75 HydrophobicContact CB-CD2 4.5Å; I71-F75 HydrophobicContact CG2-CD2 3.99Å; I71-F75 WeakPolarHBondContact O-CB 2.99Å; I71-F75 PolarHBondContact O-N 2.92Å; I71-E80 HydrophobicContact CB-CB 4.41Å; I71-E80 HydrophobicContact CB-CG 4.47Å; I71-E80 HydrophobicContact CG2-CB 3.85Å; I71-E80 HydrophobicContact CG2-CG 4.35Å; I71-L83 HydrophobicContact CD1-CD1 4.47Å; I71-L83 HydrophobicContact CG2-CD1 4.01Å
72E97.8Very high96.5Very high88 Ų8865.4 Ų65.441%0.41133%0.327SS..Hα-helixtrans-58.7-48.3176.6178.8-178.6173.700110.7W68 K69 R74 G76 K77 E80W68-E72 WeakPolarHBondContact O-CB 3.41Å; W68-E72 PolarHBondContact O-N 3.29Å; K69-E72 PolarHBondContact O-N 3.05Å; E72-R74 PolarHBondContact O-N 3.5Å; E72-G76 WeakPolarHBondContact O-CA 3.46Å; E72-G76 PolarHBondContact O-N 2.94Å; E72-K77 HydrophobicContact CG-CB 4.28Å; E72-K77 HydrophobicContact CG-CD 4.31Å; E72-E80 HydrophobicContact CB-CB 4.05Å; E72-E80 HydrophobicContact CB-CG 4.14Å
73E96.8Very high96.7Very high125 Ų12561.1 Ų61.158%0.58431%0.311SS*.Hα-helixtrans-62.7-30.8179.8-73.6-176.9172.100112.6K69 I71K69-E73 WeakPolarHBondContact CE-OE1 3.32Å; K69-E73 IonicContact NZ-OE1 3.56Å; K69-E73 WeakPolarHBondContact O-CB 3.46Å; K69-E73 WeakPolarHBondContact O-CG 3.32Å; K69-E73 PolarHBondContact O-N 2.83Å; I71-E73 PolarHBondContact O-N 3.46Å
74R96.5Very high96.8Very high139 Ų13962.7 Ų62.753%0.52532%0.316SS..Hα-helixtrans-92.2-35-179-78.6-59.6-174.8-170-1.8115.7I32 S70 I71 E72I32-R74 HydrophobicContact CG2-CB 4.13Å; I32-R74 HydrophobicContact CG2-CG 3.88Å; S70-R74 WeakPolarHBondContact O-CB 3.49Å; S70-R74 PolarHBondContact O-N 2.91Å; I71-R74 PolarHBondContact O-N 3.33Å; E72-R74 PolarHBondContact O-N 3.5Å
75F97.2Very high96.9Very high40 Ų4059.6 Ų59.618%0.17530%0.304CS..Hα-helixtrans-124.2-2.5-170.4-55.7-73.2000113.7I32 I37 T40 I71 T79I32-F75 HydrophobicContact CG2-CE2 4.42Å; I37-F75 HydrophobicContact CB-CD1 4.19Å; I37-F75 HydrophobicContact CB-CE1 3.86Å; I37-F75 HydrophobicContact CB-CZ 4.41Å; I37-F75 HydrophobicContact CD1-CD1 3.96Å; I37-F75 HydrophobicContact CD1-CD2 4.12Å; I37-F75 HydrophobicContact CD1-CE1 4.11Å; I37-F75 HydrophobicContact CD1-CE2 4.26Å; I37-F75 HydrophobicContact CD1-CG 3.95Å; I37-F75 HydrophobicContact CD1-CZ 4.25Å; T40-F75 HydrophobicContact CG2-CE2 4.37Å; I71-F75 HydrophobicContact CB-CD2 4.5Å; I71-F75 HydrophobicContact CG2-CD2 3.99Å; I71-F75 WeakPolarHBondContact O-CB 2.99Å; I71-F75 PolarHBondContact O-N 2.92Å; F75-T79 HydrophobicContact CB-CG2 3.66Å; F75-T79 HydrophobicContact CG-CG2 4.39Å; F75-T79 WeakPolarHBondContact O-CB 3.27Å; F75-T79 PolarHBondContact O-OG1 2.55Å
76G97.6Very high96.8Very high30 Ų3058.7 Ų58.731%0.30930%0.302SS..  trans84156.3-178.900000113.6E72 P78 T79 E80E72-G76 WeakPolarHBondContact O-CA 3.46Å; E72-G76 PolarHBondContact O-N 2.94Å; G76-P78 VanDerWaalsContact C-CD 3.48Å; G76-T79 WeakPolarHBondContact O-CB 3.36Å; G76-T79 PolarHBondContact O-N 3.25Å; G76-T79 VanDerWaalsContact O-N 3.09Å; G76-E80 PolarHBondContact O-N 3.46Å
77K98.2Very high96.7Very high87 Ų8756.3 Ų56.338%0.37829%0.285SS..Hα-helixtrans-52.4-43.4-177.7-174.262-177.71570114.6E72 T79 E80 D81E72-K77 HydrophobicContact CG-CB 4.28Å; E72-K77 HydrophobicContact CG-CD 4.31Å; K77-T79 VanDerWaalsContact C-N 3.27Å; K77-T79 PolarHBondContact O-N 3.31Å; K77-E80 WeakPolarHBondContact CD-OE2 3.4Å; K77-E80 WeakPolarHBondContact CE-OE2 3.45Å; K77-E80 IonicContact NZ-OE1 3.7Å; K77-E80 IonicContact NZ-OE2 2.61Å; K77-E80 PolarHBondContact NZ-OE2 2.72Å; K77-E80 PolarHBondContact O-N 3.46Å; K77-D81 WeakPolarHBondContact CE-OD1 3.25Å; K77-D81 WeakPolarHBondContact CE-OD2 3.5Å; K77-D81 IonicContact NZ-OD1 2.83Å; K77-D81 PolarHBondContact NZ-OD1 2.86Å; K77-D81 PolarHBondContact O-N 3.02Å
78P98.3Very high96.5Very high101 Ų10159.2 Ų59.266%0.65630%0.299SS*.Hα-helixtrans-61-35.1178.6-24.435.2000113.8G76 F82G76-P78 VanDerWaalsContact C-CD 3.48Å; P78-F82 WeakPolarHBondContact O-CB 3.43Å; P78-F82 PolarHBondContact O-N 3.14Å; P78-F82 VanDerWaalsContact O-N 3.15Å
79T97Very high96.2Very high43 Ų4361.6 Ų61.626%0.26432%0.317SS..Hα-helixtrans-72.5-42178.7-52.40000110.8I37 F75 G76 K77 F82 L83I37-T79 HydrophobicContact CD1-CG2 3.58Å; I37-T79 HydrophobicContact CG1-CG2 4.39Å; F75-T79 HydrophobicContact CB-CG2 3.66Å; F75-T79 HydrophobicContact CG-CG2 4.39Å; F75-T79 WeakPolarHBondContact O-CB 3.27Å; F75-T79 PolarHBondContact O-OG1 2.55Å; G76-T79 WeakPolarHBondContact O-CB 3.36Å; G76-T79 PolarHBondContact O-N 3.25Å; G76-T79 VanDerWaalsContact O-N 3.09Å; K77-T79 VanDerWaalsContact C-N 3.27Å; K77-T79 PolarHBondContact O-N 3.31Å; T79-F82 PolarHBondContact O-N 3.36Å; T79-L83 HydrophobicContact CG2-CD1 4.07Å; T79-L83 HydrophobicContact CG2-CG 4.45Å; T79-L83 WeakPolarHBondContact O-CB 3.42Å; T79-L83 WeakPolarHBondContact O-CG 3.11Å; T79-L83 PolarHBondContact O-N 3.48Å
80E97.8Very high95.8Very high9 Ų960.7 Ų60.74%0.04231%0.311CS..Hα-helixtrans-61.9-48.7175.3177.5-88.1168.400111.6W68 I71 E72 G76 K77 F82 L83 Q84W68-E80 HydrophobicContact CB-CG 4.04Å; W68-E80 WeakPolarHBondContact CB-OE1 3.47Å; W68-E80 HydrophobicContact CE3-CG 4.44Å; W68-E80 WeakPolarHBondContact O-CG 3.35Å; I71-E80 HydrophobicContact CB-CB 4.41Å; I71-E80 HydrophobicContact CB-CG 4.47Å; I71-E80 HydrophobicContact CG2-CB 3.85Å; I71-E80 HydrophobicContact CG2-CG 4.35Å; E72-E80 HydrophobicContact CB-CB 4.05Å; E72-E80 HydrophobicContact CB-CG 4.14Å; G76-E80 PolarHBondContact O-N 3.46Å; K77-E80 WeakPolarHBondContact CD-OE2 3.4Å; K77-E80 WeakPolarHBondContact CE-OE2 3.45Å; K77-E80 IonicContact NZ-OE1 3.7Å; K77-E80 IonicContact NZ-OE2 2.61Å; K77-E80 PolarHBondContact NZ-OE2 2.72Å; K77-E80 PolarHBondContact O-N 3.46Å; E80-F82 VanDerWaalsContact C-N 3.3Å; E80-F82 PolarHBondContact O-N 2.83Å; E80-L83 PolarHBondContact O-N 3.16Å; E80-Q84 VanDerWaalsContact O-CB 3.32Å; E80-Q84 WeakPolarHBondContact O-CB 3.19Å; E80-Q84 PolarHBondContact O-N 2.93Å; E80-Q84 PolarHBondContact OE1-OE1 3.41Å
81D98Very high95.3Very high76 Ų7662.5 Ų62.541%0.40632%0.317SS..Hα-helixtrans-58-43.1178-74.1-32.7000111.4K77 C85K77-D81 WeakPolarHBondContact CE-OD1 3.25Å; K77-D81 WeakPolarHBondContact CE-OD2 3.5Å; K77-D81 IonicContact NZ-OD1 2.83Å; K77-D81 PolarHBondContact NZ-OD1 2.86Å; K77-D81 PolarHBondContact O-N 3.02Å; D81-C85 VanDerWaalsContact O-CB 3.32Å; D81-C85 WeakPolarHBondContact O-CB 3.48Å; D81-C85 PolarHBondContact O-N 3.04Å
82F96.9Very high94.4Very high135 Ų13567 Ų6759%0.59234%0.344SS*.Hα-helixtrans-63.8-50.6177.9175.7-103.7000112P78 T79 E80 Q84 C85 V86P78-F82 WeakPolarHBondContact O-CB 3.43Å; P78-F82 PolarHBondContact O-N 3.14Å; P78-F82 VanDerWaalsContact O-N 3.15Å; T79-F82 PolarHBondContact O-N 3.36Å; E80-F82 VanDerWaalsContact C-N 3.3Å; E80-F82 PolarHBondContact O-N 2.83Å; F82-Q84 PolarHBondContact O-N 3.29Å; F82-C85 WeakPolarHBondContact O-CB 3.37Å; F82-C85 PolarHBondContact O-N 3.08Å; F82-V86 HydrophobicContact CE1-CG2 4.11Å; F82-V86 HydrophobicContact CE2-CG2 4.19Å; F82-V86 HydrophobicContact CZ-CG2 3.92Å; F82-V86 WeakPolarHBondContact O-CG2 3.37Å; F82-V86 PolarHBondContact O-N 3.15Å
83L95.8Very high92.7Very high4 Ų472.6 Ų72.62%0.02137%0.367CS..Hα-helixtrans-65.6-39.4-178.7-71.2177.1000111.9I37 T41 L44 W68 I71 T79 E80 C85 V86 V87I37-L83 HydrophobicContact CD1-CD1 3.91Å; T41-L83 HydrophobicContact CG2-CD2 3.91Å; L44-L83 HydrophobicContact CD1-CB 4.24Å; L44-L83 HydrophobicContact CD1-CD1 3.95Å; L44-L83 HydrophobicContact CD1-CG 4.49Å; W68-L83 HydrophobicContact CZ3-CB 4.39Å; I71-L83 HydrophobicContact CD1-CD1 4.47Å; I71-L83 HydrophobicContact CG2-CD1 4.01Å; T79-L83 HydrophobicContact CG2-CD1 4.07Å; T79-L83 HydrophobicContact CG2-CG 4.45Å; T79-L83 WeakPolarHBondContact O-CB 3.42Å; T79-L83 WeakPolarHBondContact O-CG 3.11Å; T79-L83 PolarHBondContact O-N 3.48Å; E80-L83 PolarHBondContact O-N 3.16Å; L83-C85 VanDerWaalsContact C-N 3.34Å; L83-V86 PolarHBondContact O-N 3.25Å; L83-V87 WeakPolarHBondContact O-CG2 3.41Å; L83-V87 PolarHBondContact O-N 3.1Å
84Q95.4Very high91Very high59 Ų5977.1 Ų77.128%0.27639%0.393SS..Hα-helixtrans-61.8-44.8175.3-172.6176.71800110.9W68 E80 F82 V86 V87 E88W68-Q84 HydrophobicContact CD2-CB 4.16Å; W68-Q84 HydrophobicContact CD2-CG 4.11Å; W68-Q84 HydrophobicContact CE3-CB 3.98Å; W68-Q84 HydrophobicContact CE3-CG 4.43Å; W68-Q84 HydrophobicContact CH2-CB 4.07Å; W68-Q84 HydrophobicContact CH2-CG 4.25Å; W68-Q84 HydrophobicContact CZ2-CB 4.19Å; W68-Q84 HydrophobicContact CZ2-CG 3.86Å; W68-Q84 HydrophobicContact CZ3-CB 3.96Å; E80-Q84 VanDerWaalsContact O-CB 3.32Å; E80-Q84 WeakPolarHBondContact O-CB 3.19Å; E80-Q84 PolarHBondContact O-N 2.93Å; E80-Q84 PolarHBondContact OE1-OE1 3.41Å; F82-Q84 PolarHBondContact O-N 3.29Å; Q84-V86 VanDerWaalsContact C-N 3.34Å; Q84-V86 PolarHBondContact O-N 2.86Å; Q84-V87 PolarHBondContact O-N 3.17Å; Q84-E88 HydrophobicContact CG-CG 4.11Å; Q84-E88 WeakPolarHBondContact O-CB 3.25Å; Q84-E88 WeakPolarHBondContact O-CG 3.35Å; Q84-E88 PolarHBondContact O-N 2.98Å
85C94.5Very high90.8Very high76 Ų7674 Ų7451%0.51439%0.386SS..Hα-helixtrans-57.5-45.8175.3-175.60000112D81 F82 L83 V87 E88 T89D81-C85 VanDerWaalsContact O-CB 3.32Å; D81-C85 WeakPolarHBondContact O-CB 3.48Å; D81-C85 PolarHBondContact O-N 3.04Å; F82-C85 WeakPolarHBondContact O-CB 3.37Å; F82-C85 PolarHBondContact O-N 3.08Å; L83-C85 VanDerWaalsContact C-N 3.34Å; C85-V87 VanDerWaalsContact C-N 3.35Å; C85-V87 PolarHBondContact O-N 2.95Å; C85-E88 PolarHBondContact O-N 2.71Å; C85-T89 WeakPolarHBondContact O-CB 2.91Å; C85-T89 VanDerWaalsContact O-CG2 3.26Å; C85-T89 WeakPolarHBondContact O-CG2 3.46Å; C85-T89 PolarHBondContact O-N 3.13Å; C85-T89 PolarHBondContact O-OG1 3.16Å
86V93.2Very high90.4Very high39 Ų3975.8 Ų75.824%0.23640%0.398CS..Hα-helixtrans-59.8-42.8176.9172.90000111.9I45 F82 L83 Q84 T89 R90I45-V86 HydrophobicContact CG2-CG1 3.87Å; F82-V86 HydrophobicContact CE1-CG2 4.11Å; F82-V86 HydrophobicContact CE2-CG2 4.19Å; F82-V86 HydrophobicContact CZ-CG2 3.92Å; F82-V86 WeakPolarHBondContact O-CG2 3.37Å; F82-V86 PolarHBondContact O-N 3.15Å; L83-V86 PolarHBondContact O-N 3.25Å; Q84-V86 VanDerWaalsContact C-N 3.34Å; Q84-V86 PolarHBondContact O-N 2.86Å; V86-T89 PolarHBondContact O-OG1 2.99Å; V86-R90 WeakPolarHBondContact O-CD 3.45Å; V86-R90 WeakPolarHBondContact O-CG 3.39Å
87V94Very high90Very high4 Ų478.3 Ų78.32%0.02440%0.402CS..Hα-helixtrans-70.2-45179174.10000111.5L44 W68 L83 Q84 C85 T89 R90L44-V87 HydrophobicContact CB-CG2 3.94Å; L44-V87 HydrophobicContact CD2-CG2 4.5Å; W68-V87 HydrophobicContact CH2-CB 4.02Å; W68-V87 HydrophobicContact CH2-CG1 4.43Å; W68-V87 HydrophobicContact CH2-CG2 3.94Å; W68-V87 HydrophobicContact CZ2-CB 4.43Å; W68-V87 HydrophobicContact CZ2-CG1 4.49Å; L83-V87 WeakPolarHBondContact O-CG2 3.41Å; L83-V87 PolarHBondContact O-N 3.1Å; Q84-V87 PolarHBondContact O-N 3.17Å; C85-V87 VanDerWaalsContact C-N 3.35Å; C85-V87 PolarHBondContact O-N 2.95Å; V87-T89 PolarHBondContact O-N 3.34Å; V87-R90 WeakPolarHBondContact O-CB 3.22Å; V87-R90 PolarHBondContact O-N 3.44Å; V87-R90 VanDerWaalsContact O-N 3.14Å
88E91.8Very high89.5Confident65 Ų6577.8 Ų77.830%0.30440%0.404SS..Hα-helixtrans-67.8-34.7-177.4-65.5-63.7147.700112.1K56 Q84 C85 R90 K91K56-E88 IonicContact NZ-OE1 2.75Å; K56-E88 PolarHBondContact NZ-OE1 3.5Å; Q84-E88 HydrophobicContact CG-CG 4.11Å; Q84-E88 WeakPolarHBondContact O-CB 3.25Å; Q84-E88 WeakPolarHBondContact O-CG 3.35Å; Q84-E88 PolarHBondContact O-N 2.98Å; C85-E88 PolarHBondContact O-N 2.71Å; E88-R90 PolarHBondContact O-N 3.34Å; E88-K91 WeakPolarHBondContact O-CB 3.47Å; E88-K91 PolarHBondContact O-N 2.84Å; E88-K91 VanDerWaalsContact O-N 3.09Å; E88-K91 IonicContact OE1-NZ 2.72Å; E88-K91 PolarHBondContact OE1-NZ 3.14Å; E88-K91 VanDerWaalsContact OE2-CD 3.28Å; E88-K91 WeakPolarHBondContact OE2-CD 3.49Å; E88-K91 VanDerWaalsContact OE2-CE 3.29Å; E88-K91 WeakPolarHBondContact OE2-CE 3.26Å; E88-K91 IonicContact OE2-NZ 2.9Å; E88-K91 PolarHBondContact OE2-NZ 2.93Å
89T91.7Very high89Confident77 Ų7776.4 Ų76.447%0.47239%0.388SS..Hα-helixtrans-61.6-25173.751.80000113.3C85 V86 V87 K91C85-T89 WeakPolarHBondContact O-CB 2.91Å; C85-T89 VanDerWaalsContact O-CG2 3.26Å; C85-T89 WeakPolarHBondContact O-CG2 3.46Å; C85-T89 PolarHBondContact O-N 3.13Å; C85-T89 PolarHBondContact O-OG1 3.16Å; V86-T89 PolarHBondContact O-OG1 2.99Å; V87-T89 PolarHBondContact O-N 3.34Å; T89-K91 VanDerWaalsContact C-N 3.34Å
90R89Confident88.5Confident63 Ų6378.6 Ų78.624%0.23840%0.396CS..THydrogen-bonded Turntrans-84.7-7.2178.2-62.1169.771.8109.8-3.3113.8I45 F47 W48 G49 V86 V87 E88I45-R90 PolarHBondContact O-NE 2.99Å; I45-R90 PolarHBondContact O-NH1 3.33Å; I45-R90 VanDerWaalsContact O-NH1 3.15Å; I45-R90 PolarHBondContact O-NH2 3.36Å; F47-R90 PolarHBondContact O-NE 3Å; W48-R90 VanDerWaalsContact CE2-NH2 3.33Å; G49-R90 PolarHBondContact N-O 3.39Å; V86-R90 WeakPolarHBondContact O-CD 3.45Å; V86-R90 WeakPolarHBondContact O-CG 3.39Å; V87-R90 WeakPolarHBondContact O-CB 3.22Å; V87-R90 PolarHBondContact O-N 3.44Å; V87-R90 VanDerWaalsContact O-N 3.14Å; E88-R90 PolarHBondContact O-N 3.34Å
91K86.5Confident87.8Confident52 Ų5283.6 Ų83.623%0.22642%0.422CS..THydrogen-bonded Turntrans-75.8-31.6170.1-64.8-167.5175.9171.80112.4S52 D53 E88 T89 K93S52-K91 WeakPolarHBondContact OG-CE 3.43Å; D53-K91 WeakPolarHBondContact OD1-CE 3.38Å; D53-K91 IonicContact OD1-NZ 3.26Å; D53-K91 PolarHBondContact OD1-NZ 2.98Å; D53-K91 WeakPolarHBondContact OD2-CE 3.3Å; D53-K91 IonicContact OD2-NZ 2.91Å; D53-K91 PolarHBondContact OD2-NZ 3.05Å; E88-K91 WeakPolarHBondContact O-CB 3.47Å; E88-K91 PolarHBondContact O-N 2.84Å; E88-K91 VanDerWaalsContact O-N 3.09Å; E88-K91 IonicContact OE1-NZ 2.72Å; E88-K91 PolarHBondContact OE1-NZ 3.14Å; E88-K91 VanDerWaalsContact OE2-CD 3.28Å; E88-K91 WeakPolarHBondContact OE2-CD 3.49Å; E88-K91 VanDerWaalsContact OE2-CE 3.29Å; E88-K91 WeakPolarHBondContact OE2-CE 3.26Å; E88-K91 IonicContact OE2-NZ 2.9Å; E88-K91 PolarHBondContact OE2-NZ 2.93Å; T89-K91 VanDerWaalsContact C-N 3.34Å; K91-K93 PolarHBondContact O-N 3.34Å
92V78.1Confident87Confident95 Ų9584.2 Ų84.258%0.57642%0.423SS*.SBendtrans-77.8116.2-179.3-171.60000107.7I94V92-I94 PolarHBondContact O-N 2.92Å
93K62.8Low86.2Confident206 Ų20679.9 Ų79.990%0.89641%0.409SS*.  trans-65.1102.6165.1-86.4-176.6175.4177.10107.7K91K91-K93 PolarHBondContact O-N 3.34Å
94I61.6Low85.3Confident219 Ų21986.8 Ų86.8100%1.12344%0.444SS*.  trans-78.10167.2-52.4173.5000108.4V92V92-I94 PolarHBondContact O-N 2.92Å

Retrieved 94 of 94 residues in 68.6 ms (Link to these results)

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