G4VH80_SCHMA Loading...

Small ribosomal subunit protein eS17

AlphaFold DB , UniProt , Accession G4VH80, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 120 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
1M59.4Low90.4Very high254 Ų254121.4 Ų121.4100%1.25162%0.615SS**  0141.10-69-165172.400109.2
2G82.5Confident90.8Very high79 Ų79114.3 Ų114.381%0.81459%0.589SS**  trans155.59.8-176.200000117.4
3R88.4Confident91.2Very high208 Ų208105.5 Ų105.579%0.78554%0.543SS*.  trans-101.311.9-174.9-149.2175.1177.689.1-3.4113.8R5R3-R5 WeakPolarHBondContact O-CD 3.4Å; R3-R5 PolarHBondContact O-NH1 3.44Å
4V94.4Very high91.4Very high125 Ų125104.1 Ų104.176%0.75853%0.528SS*.PPolyproline II helixtrans-76.9128.7177.1-1770000108.8
5R95Very high91.6Very high97 Ų97104.9 Ų104.937%0.36652%0.523SS..PPolyproline II helixtrans-77.9136.5-179.5-70.667.6169.9-176.9-9.6109.3R3 V9 K10 Y53R3-R5 WeakPolarHBondContact O-CD 3.4Å; R3-R5 PolarHBondContact O-NH1 3.44Å; R5-V9 HydrophobicContact CB-CB 4.39Å; R5-V9 HydrophobicContact CB-CG1 4.26Å; R5-V9 HydrophobicContact CG-CG1 4.26Å; R5-K10 HydrophobicContact CB-CG 4.28Å; R5-K10 VanDerWaalsContact O-CE 3.27Å; R5-K10 WeakPolarHBondContact O-CE 3.35Å; R5-Y53 HydrophobicContact CB-CD2 4.48Å; R5-Y53 HydrophobicContact CG-CD2 4.16Å
6T95.9Very high91.9Very high82 Ų8298.9 Ų98.950%0.50349%0.493SS..PPolyproline II helixtrans-71.3163.2179.356.20000112.1T8 V9 K10T6-T8 PolarHBondContact O-N 3.43Å; T6-T8 PolarHBondContact OG1-OG1 3.49Å; T6-T8 VanDerWaalsContact OG1-OG1 3.12Å; T6-V9 PolarHBondContact O-N 3.33Å; T6-K10 PolarHBondContact O-N 2.76Å; T6-K10 VanDerWaalsContact O-N 3.11Å
7K96.5Very high92Very high178 Ų17893.1 Ų93.177%0.77446%0.464SS*.Hα-helixtrans-57.6-34.4-179.765.8-177.4179.8-178.50113.4K10 K11K7-K10 PolarHBondContact O-N 2.92Å; K7-K11 VanDerWaalsContact O-CB 3.22Å; K7-K11 WeakPolarHBondContact O-CB 3.29Å; K7-K11 PolarHBondContact O-N 2.97Å
8T95Very high92.1Very high87 Ų8791.6 Ų91.653%0.53446%0.455SS..Hα-helixtrans-63.8-47.4179510000111.3T6 K11 A12T6-T8 PolarHBondContact O-N 3.43Å; T6-T8 PolarHBondContact OG1-OG1 3.49Å; T6-T8 VanDerWaalsContact OG1-OG1 3.12Å; T8-K11 PolarHBondContact O-N 3.24Å; T8-A12 VanDerWaalsContact O-CB 3.27Å; T8-A12 WeakPolarHBondContact O-CB 3.36Å; T8-A12 PolarHBondContact O-N 3.31Å
9V95.9Very high92.1Very high1 Ų195.2 Ų95.21%0.00646%0.463CS..Hα-helixtrans-61.8-47.5176.2177.70000110.6R5 T6 S13 M49 I50R5-V9 HydrophobicContact CB-CB 4.39Å; R5-V9 HydrophobicContact CB-CG1 4.26Å; R5-V9 HydrophobicContact CG-CG1 4.26Å; T6-V9 PolarHBondContact O-N 3.33Å; V9-S13 WeakPolarHBondContact O-CB 3.39Å; V9-S13 PolarHBondContact O-N 3.12Å; V9-S13 PolarHBondContact O-OG 3.38Å; V9-M49 HydrophobicContact CG1-CB 4.13Å; V9-M49 HydrophobicContact CG2-CB 4.19Å; V9-M49 HydrophobicContact CG2-CE 4.37Å; V9-I50 HydrophobicContact CG1-CG1 4.15Å
10K96Very high92.2Very high64 Ų6493.6 Ų93.628%0.27845%0.454SS..Hα-helixtrans-63.3-45.5-179.5-65.1-175.2176.8172.60111.9R5 T6 K7 S13 R14 Y53R5-K10 HydrophobicContact CB-CG 4.28Å; R5-K10 VanDerWaalsContact O-CE 3.27Å; R5-K10 WeakPolarHBondContact O-CE 3.35Å; T6-K10 PolarHBondContact O-N 2.76Å; T6-K10 VanDerWaalsContact O-N 3.11Å; K7-K10 PolarHBondContact O-N 2.92Å; K10-S13 PolarHBondContact O-N 3.35Å; K10-R14 WeakPolarHBondContact O-CG 3.31Å; K10-R14 PolarHBondContact O-N 3.4Å; K10-R14 VanDerWaalsContact O-N 3.13Å; K10-Y53 HydrophobicContact CB-CD1 4.49Å; K10-Y53 HydrophobicContact CB-CE1 3.88Å; K10-Y53 HydrophobicContact CD-CE1 4.49Å; K10-Y53 HydrophobicContact CG-CD1 4.28Å; K10-Y53 HydrophobicContact CG-CE1 3.67Å; K10-Y53 HydrophobicContact CG-CE2 4.25Å
11K95.7Very high92.2Very high160 Ų16092.9 Ų92.970%0.69645%0.447SS*.Hα-helixtrans-65.1-46.9180-171.3174.8-178.2179.30111.5K7 T8 S13 R14 Y15K7-K11 VanDerWaalsContact O-CB 3.22Å; K7-K11 WeakPolarHBondContact O-CB 3.29Å; K7-K11 PolarHBondContact O-N 2.97Å; T8-K11 PolarHBondContact O-N 3.24Å; K11-S13 VanDerWaalsContact C-N 3.32Å; K11-S13 PolarHBondContact O-N 3.41Å; K11-R14 PolarHBondContact O-N 3.06Å; K11-Y15 PolarHBondContact O-N 3.43Å; K11-Y15 VanDerWaalsContact O-N 3.14Å
12A95.3Very high93.8Very high36 Ų3686.3 Ų86.330%0.29843%0.426SS..Hα-helixtrans-60.7-41.7177.100000112T8 Y15 I16 I50T8-A12 VanDerWaalsContact O-CB 3.27Å; T8-A12 WeakPolarHBondContact O-CB 3.36Å; T8-A12 PolarHBondContact O-N 3.31Å; A12-Y15 PolarHBondContact O-N 3.28Å; A12-I16 VanDerWaalsContact O-CG1 3.31Å; A12-I16 WeakPolarHBondContact O-CG1 3.42Å; A12-I16 PolarHBondContact O-N 3.19Å; A12-I50 HydrophobicContact CB-CD1 4.28Å
13S95.2Very high94.3Very high0 Ų087.9 Ų87.90%041%0.411CS..Hα-helixtrans-65.4-41.8-180-55.30000112.6V9 K10 K11 Y15 I16 I17V9-S13 WeakPolarHBondContact O-CB 3.39Å; V9-S13 PolarHBondContact O-N 3.12Å; V9-S13 PolarHBondContact O-OG 3.38Å; K10-S13 PolarHBondContact O-N 3.35Å; K11-S13 VanDerWaalsContact C-N 3.32Å; K11-S13 PolarHBondContact O-N 3.41Å; S13-Y15 VanDerWaalsContact C-N 3.35Å; S13-I16 PolarHBondContact O-N 2.9Å; S13-I17 VanDerWaalsContact O-CG1 3.27Å; S13-I17 WeakPolarHBondContact O-CG1 3.2Å; S13-I17 PolarHBondContact O-N 3.06Å; S13-I17 VanDerWaalsContact O-N 3.13Å
14R94.7Very high94.6Very high87 Ų8778.7 Ų78.733%0.32838%0.377SS..Hα-helixtrans-61.4-46.4175.7-67.1-169.8-156.5105.5-4.9110.9K10 K11 I16 I17 E18 L57 G68 I69K10-R14 WeakPolarHBondContact O-CG 3.31Å; K10-R14 PolarHBondContact O-N 3.4Å; K10-R14 VanDerWaalsContact O-N 3.13Å; K11-R14 PolarHBondContact O-N 3.06Å; R14-I16 VanDerWaalsContact C-N 3.33Å; R14-I16 PolarHBondContact O-N 2.83Å; R14-I17 WeakPolarHBondContact O-CB 3.34Å; R14-I17 PolarHBondContact O-N 3.06Å; R14-E18 WeakPolarHBondContact O-CG 3.49Å; R14-E18 PolarHBondContact O-N 2.98Å; R14-L57 HydrophobicContact CG-CD1 4.4Å; R14-G68 WeakPolarHBondContact CD-O 3.47Å; R14-I69 HydrophobicContact CB-CG1 4.22Å; R14-I69 HydrophobicContact CG-CD1 3.98Å; R14-I69 HydrophobicContact CG-CG1 3.82Å
15Y94.8Very high94.7Very high116 Ų11675.8 Ų75.846%0.45536%0.359SS..Hα-helixtrans-59.9-40.5178.7-174.4-100.7000113.4K11 A12 S13 I17 R19K11-Y15 PolarHBondContact O-N 3.43Å; K11-Y15 VanDerWaalsContact O-N 3.14Å; A12-Y15 PolarHBondContact O-N 3.28Å; S13-Y15 VanDerWaalsContact C-N 3.35Å; Y15-I17 VanDerWaalsContact C-N 3.32Å; Y15-I17 PolarHBondContact O-N 2.92Å; Y15-R19 VanDerWaalsContact CE2-NE 3.35Å; Y15-R19 VanDerWaalsContact CZ-CZ 3.41Å; Y15-R19 PolarHBondContact O-N 3.27Å; Y15-R19 PolarHBondContact OH-NE 2.89Å; Y15-R19 PolarHBondContact OH-NH1 3.32Å; Y15-R19 PolarHBondContact OH-NH2 2.96Å; Y15-R19 VanDerWaalsContact OH-NH2 3.09Å
16I95Very high94.6Very high9 Ų978.2 Ų78.25%0.04637%0.369CS..Hα-helixtrans-62.7-41.4175.1-70.6166.5000110.6A12 S13 R14 F20 L24 I38 I50A12-I16 VanDerWaalsContact O-CG1 3.31Å; A12-I16 WeakPolarHBondContact O-CG1 3.42Å; A12-I16 PolarHBondContact O-N 3.19Å; S13-I16 PolarHBondContact O-N 2.9Å; R14-I16 VanDerWaalsContact C-N 3.33Å; R14-I16 PolarHBondContact O-N 2.83Å; I16-F20 WeakPolarHBondContact O-CB 3.48Å; I16-F20 PolarHBondContact O-N 2.87Å; I16-L24 HydrophobicContact CG2-CD1 4.01Å; I16-L24 HydrophobicContact CG2-CD2 4.41Å; I16-I38 HydrophobicContact CG2-CD1 4.48Å; I16-I50 HydrophobicContact CD1-CG2 3.64Å
17I94.5Very high94.6Very high0 Ų077.9 Ų77.90%036%0.364CS..Hα-helixtrans-68.1-45.1-179.7-67.9169.8000111.7S13 R14 Y15 R19 Y21 L24 V54 L57 M58 F61 I69S13-I17 VanDerWaalsContact O-CG1 3.27Å; S13-I17 WeakPolarHBondContact O-CG1 3.2Å; S13-I17 PolarHBondContact O-N 3.06Å; S13-I17 VanDerWaalsContact O-N 3.13Å; R14-I17 WeakPolarHBondContact O-CB 3.34Å; R14-I17 PolarHBondContact O-N 3.06Å; Y15-I17 VanDerWaalsContact C-N 3.32Å; Y15-I17 PolarHBondContact O-N 2.92Å; I17-R19 PolarHBondContact O-N 3.14Å; I17-Y21 HydrophobicContact CG2-CD2 4.16Å; I17-Y21 WeakPolarHBondContact O-CB 3.46Å; I17-Y21 PolarHBondContact O-N 3.41Å; I17-Y21 VanDerWaalsContact O-N 3.17Å; I17-L24 HydrophobicContact CB-CD1 4.45Å; I17-L24 HydrophobicContact CG1-CD1 3.92Å; I17-V54 HydrophobicContact CD1-CG1 4.24Å; I17-V54 HydrophobicContact CG1-CG1 4.03Å; I17-V54 HydrophobicContact CG1-CG2 4.47Å; I17-L57 HydrophobicContact CD1-CB 3.48Å; I17-L57 VanDerWaalsContact CD1-CB 3.48Å; I17-L57 HydrophobicContact CD1-CD1 3.46Å; I17-L57 VanDerWaalsContact CD1-CD1 3.46Å; I17-L57 HydrophobicContact CD1-CG 4.11Å; I17-M58 HydrophobicContact CB-CE 4.31Å; I17-M58 HydrophobicContact CD1-CE 4.31Å; I17-M58 HydrophobicContact CG1-CE 3.77Å; I17-M58 HydrophobicContact CG2-CE 3.86Å; I17-F61 HydrophobicContact CG2-CE2 3.85Å; I17-F61 HydrophobicContact CG2-CZ 4.21Å; I17-I69 HydrophobicContact CB-CG2 4.35Å; I17-I69 HydrophobicContact CD1-CD1 4.41Å; I17-I69 HydrophobicContact CG2-CG2 3.73Å
18E93.1Very high94.7Very high65 Ų6572.5 Ų72.530%0.30434%0.34SS..Hα-helixtrans-57.4-38.8-179.6-69.6167.5-176.200111.7R14 I69 S70R14-E18 WeakPolarHBondContact O-CG 3.49Å; R14-E18 PolarHBondContact O-N 2.98Å; E18-I69 HydrophobicContact CG-CG2 3.87Å; E18-S70 WeakPolarHBondContact CG-O 3.48Å
19R93Very high94.7Very high160 Ų16073.5 Ų73.560%0.60434%0.339SS*.Hα-helixtrans-92.2-34.1-175.3-67-171.6173.8-143.2-1.5114.7Y15 I17Y15-R19 VanDerWaalsContact CE2-NE 3.35Å; Y15-R19 VanDerWaalsContact CZ-CZ 3.41Å; Y15-R19 PolarHBondContact O-N 3.27Å; Y15-R19 PolarHBondContact OH-NE 2.89Å; Y15-R19 PolarHBondContact OH-NH1 3.32Å; Y15-R19 PolarHBondContact OH-NH2 2.96Å; Y15-R19 VanDerWaalsContact OH-NH2 3.09Å; I17-R19 PolarHBondContact O-N 3.14Å
20F94.4Very high94.8Very high64 Ų6476.3 Ų76.328%0.28136%0.356SS..Hα-helixtrans-123.529.4-168.5-57.8-79.4000113I16 S22 K23 L24 I38I16-F20 WeakPolarHBondContact O-CB 3.48Å; I16-F20 PolarHBondContact O-N 2.87Å; F20-S22 PolarHBondContact O-N 3.05Å; F20-S22 VanDerWaalsContact O-N 3.16Å; F20-K23 HydrophobicContact CD1-CD 4.45Å; F20-K23 PolarHBondContact O-N 3.48Å; F20-L24 WeakPolarHBondContact O-CG 3.46Å; F20-I38 HydrophobicContact CB-CD1 3.67Å; F20-I38 HydrophobicContact CD1-CD1 4.06Å; F20-I38 HydrophobicContact CD1-CG1 4.35Å; F20-I38 HydrophobicContact CD2-CD1 3.82Å; F20-I38 HydrophobicContact CD2-CG1 4.32Å; F20-I38 HydrophobicContact CD2-CG2 3.6Å; F20-I38 HydrophobicContact CE2-CD1 4.47Å; F20-I38 HydrophobicContact CE2-CG1 4.49Å; F20-I38 HydrophobicContact CE2-CG2 3.31Å; F20-I38 HydrophobicContact CG-CD1 3.58Å; F20-I38 HydrophobicContact CG-CG1 4.24Å; F20-I38 HydrophobicContact CG-CG2 4.34Å; F20-I38 HydrophobicContact CZ-CG2 3.84Å
21Y92.4Very high94.8Very high79 Ų7973.2 Ų73.231%0.3134%0.343SS..G310 helixtrans-49.2-43.5-179.2-173.7-107.7000113.2I17 K23 L24 M58 F61 I71I17-Y21 HydrophobicContact CG2-CD2 4.16Å; I17-Y21 WeakPolarHBondContact O-CB 3.46Å; I17-Y21 PolarHBondContact O-N 3.41Å; I17-Y21 VanDerWaalsContact O-N 3.17Å; Y21-K23 PolarHBondContact O-N 3.05Å; Y21-L24 PolarHBondContact O-N 3.39Å; Y21-L24 VanDerWaalsContact O-N 3.13Å; Y21-M58 HydrophobicContact CD2-CE 3.59Å; Y21-M58 HydrophobicContact CD2-SD 4.16Å; Y21-M58 HydrophobicContact CE2-CE 3.82Å; Y21-M58 HydrophobicContact CE2-SD 3.76Å; Y21-F61 HydrophobicContact CE2-CD2 4.36Å; Y21-F61 HydrophobicContact CE2-CG 4.42Å; Y21-I71 HydrophobicContact CD1-CD1 4.26Å; Y21-I71 HydrophobicContact CD1-CG2 3.84Å; Y21-I71 HydrophobicContact CD2-CD1 3.38Å; Y21-I71 HydrophobicContact CD2-CG1 4.03Å; Y21-I71 HydrophobicContact CD2-CG2 4.47Å; Y21-I71 HydrophobicContact CE1-CD1 4.26Å; Y21-I71 HydrophobicContact CE1-CG2 4.49Å; Y21-I71 HydrophobicContact CE2-CD1 3.38Å; Y21-I71 HydrophobicContact CE2-CG1 4.49Å; Y21-I71 HydrophobicContact CG-CD1 3.85Å; Y21-I71 HydrophobicContact CG-CG1 4.2Å; Y21-I71 HydrophobicContact CG-CG2 3.83Å
22S92.8Very high94.8Very high116 Ų11668 Ų6881%0.81132%0.32SS*.G310 helixtrans-63.4-23.3-178.654.60000114.9F20F20-S22 PolarHBondContact O-N 3.05Å; F20-S22 VanDerWaalsContact O-N 3.16Å
23K93.3Very high94.9Very high112 Ų11272.7 Ų72.749%0.48733%0.334SS..G310 helixtrans-92.2-10.5179.2-64-172.4176.6-173.20113F20 Y21 V34F20-K23 HydrophobicContact CD1-CD 4.45Å; F20-K23 PolarHBondContact O-N 3.48Å; Y21-K23 PolarHBondContact O-N 3.05Å; K23-V34 HydrophobicContact CB-CG1 4.17Å
24L94.5Very high94.9Very high15 Ų1574.1 Ų74.18%0.07934%0.342CS..  trans-96.9147.6-172.3-65.5167.1000110.8I16 I17 F20 Y21 V34 V54 M58I16-L24 HydrophobicContact CG2-CD1 4.01Å; I16-L24 HydrophobicContact CG2-CD2 4.41Å; I17-L24 HydrophobicContact CB-CD1 4.45Å; I17-L24 HydrophobicContact CG1-CD1 3.92Å; F20-L24 WeakPolarHBondContact O-CG 3.46Å; Y21-L24 PolarHBondContact O-N 3.39Å; Y21-L24 VanDerWaalsContact O-N 3.13Å; L24-V34 HydrophobicContact CD2-CB 4.45Å; L24-V34 HydrophobicContact CD2-CG1 3.8Å; L24-V54 HydrophobicContact CD1-CG1 3.99Å; L24-V54 HydrophobicContact CD2-CG1 3.88Å; L24-V54 HydrophobicContact CG-CG1 4.42Å; L24-M58 HydrophobicContact CB-CE 3.37Å; L24-M58 HydrophobicContact CB-SD 4.15Å; L24-M58 HydrophobicContact CD1-CE 3.44Å; L24-M58 VanDerWaalsContact CD1-CE 3.44Å; L24-M58 HydrophobicContact CG-CE 4.03Å
25T95Very high94.9Very high63 Ų6370 Ų7039%0.38733%0.327SS..  trans-130.7-175.6-179.565.80000110.8T30 N31T25-T30 PolarHBondContact OG1-OG1 3.24Å; T25-N31 PolarHBondContact N-OD1 3.33Å; T25-N31 PolarHBondContact O-ND2 3.47Å; T25-N31 PolarHBondContact O-OD1 3.32Å
26R93.9Very high94.9Very high149 Ų14969 Ų6956%0.56233%0.326SS*.SBendtrans-82.6-18176.9-57.7164.5-166.2-157.9-7.4112.5E62R26-E62 WeakPolarHBondContact CD-OE1 3.42Å; R26-E62 IonicContact CZ-OE1 2.89Å; R26-E62 IonicContact CZ-OE2 3.1Å; R26-E62 IonicContact NE-OE1 2.87Å; R26-E62 PolarHBondContact NE-OE1 2.97Å; R26-E62 IonicContact NE-OE2 3.91Å; R26-E62 IonicContact NH1-OE1 3.09Å; R26-E62 PolarHBondContact NH1-OE1 3.35Å; R26-E62 VanDerWaalsContact NH1-OE1 3.09Å; R26-E62 IonicContact NH1-OE2 2.75Å; R26-E62 PolarHBondContact NH1-OE2 3.49Å; R26-E62 VanDerWaalsContact NH2-CG 3.35Å; R26-E62 IonicContact NH2-OE1 3.48Å; R26-E62 PolarHBondContact NH2-OE1 3.41Å; R26-E62 IonicContact NH2-OE2 3.28Å; R26-E62 PolarHBondContact NH2-OE2 3.05Å
27D96.3Very high94.9Very high74 Ų7474.9 Ų74.940%0.39636%0.358SS..  trans-79.1144.9-177.9178.857.2000112H29 T30 N31 T55D27-H29 WeakPolarHBondContact OD2-CA 3.45Å; D27-H29 WeakPolarHBondContact OD2-CB 3.42Å; D27-H29 PolarHBondContact OD2-N 3.2Å; D27-T30 HydrophobicContact CB-CG2 4.32Å; D27-T30 WeakPolarHBondContact CB-OG1 3.43Å; D27-T30 PolarHBondContact O-OG1 3.47Å; D27-T30 VanDerWaalsContact O-OG1 3.09Å; D27-T30 PolarHBondContact OD2-N 3.04Å; D27-T30 PolarHBondContact OD2-OG1 2.7Å; D27-N31 WeakPolarHBondContact O-CB 3.34Å; D27-N31 VanDerWaalsContact O-CG 3.22Å; D27-N31 PolarHBondContact O-N 3.02Å; D27-N31 PolarHBondContact O-ND2 3.44Å; D27-T55 WeakPolarHBondContact O-CG2 3.43Å
28F97.2Very high94.8Very high65 Ų6576.9 Ų76.929%0.28537%0.368SS..Hα-helixtrans-79.6-37-178.4173.9-100.9000112.8K32 N48 A51 T55F28-K32 HydrophobicContact CE1-CD 4.15Å; F28-K32 HydrophobicContact CZ-CD 4.3Å; F28-K32 WeakPolarHBondContact O-CB 3.33Å; F28-K32 PolarHBondContact O-N 3.46Å; F28-N48 HydrophobicContact CZ-CB 4.31Å; F28-A51 HydrophobicContact CD2-CB 4.33Å; F28-A51 HydrophobicContact CE2-CB 3.88Å; F28-T55 HydrophobicContact CB-CG2 4.08Å; F28-T55 HydrophobicContact CD2-CG2 4.36Å
29H96.9Very high94.8Very high109 Ų10975.2 Ų75.251%0.50537%0.365SS..Hα-helixtrans-69.9-45.7-175.7-70.8-91000110.5D27 K32 F33D27-H29 WeakPolarHBondContact OD2-CA 3.45Å; D27-H29 WeakPolarHBondContact OD2-CB 3.42Å; D27-H29 PolarHBondContact OD2-N 3.2Å; H29-K32 WeakPolarHBondContact O-CB 3.43Å; H29-K32 PolarHBondContact O-N 2.96Å; H29-F33 WeakPolarHBondContact O-CD2 3Å; H29-F33 PolarHBondContact O-N 3.47Å
30T96.5Very high94.9Very high59 Ų5974.6 Ų74.636%0.36238%0.384SS..Hα-helixtrans-56.7-53.7173.253.90000111.4T25 D27 K32 F33 V34T25-T30 PolarHBondContact OG1-OG1 3.24Å; D27-T30 HydrophobicContact CB-CG2 4.32Å; D27-T30 WeakPolarHBondContact CB-OG1 3.43Å; D27-T30 PolarHBondContact O-OG1 3.47Å; D27-T30 VanDerWaalsContact O-OG1 3.09Å; D27-T30 PolarHBondContact OD2-N 3.04Å; D27-T30 PolarHBondContact OD2-OG1 2.7Å; T30-K32 PolarHBondContact O-N 3.49Å; T30-F33 PolarHBondContact O-N 2.97Å; T30-F33 VanDerWaalsContact O-N 3.09Å; T30-V34 WeakPolarHBondContact O-CG2 3.35Å; T30-V34 PolarHBondContact O-N 3.14Å
31N96.4Very high94.8Very high0 Ų072.7 Ų72.70%038%0.377CS..Hα-helixtrans-62.9-30.5-179-74.4-6.2000112.8T25 D27 C35 T55T25-N31 PolarHBondContact N-OD1 3.33Å; T25-N31 PolarHBondContact O-ND2 3.47Å; T25-N31 PolarHBondContact O-OD1 3.32Å; D27-N31 WeakPolarHBondContact O-CB 3.34Å; D27-N31 VanDerWaalsContact O-CG 3.22Å; D27-N31 PolarHBondContact O-N 3.02Å; D27-N31 PolarHBondContact O-ND2 3.44Å; N31-C35 VanDerWaalsContact O-CB 3.3Å; N31-C35 WeakPolarHBondContact O-CB 3.41Å; N31-C35 PolarHBondContact O-N 3.29Å; N31-C35 PolarHBondContact O-SG 3.25Å; N31-T55 HydrophobicContact CB-CG2 4.12Å; N31-T55 VanDerWaalsContact ND2-CG2 3.28Å; N31-T55 WeakPolarHBondContact ND2-CG2 3.37Å
32K96.3Very high94.8Very high50 Ų5073.2 Ų73.222%0.21741%0.405CS..Hα-helixtrans-66.7-41175.3-176.5-171.871.2-177.80111.8F28 H29 T30 Q36 R47 N48 A51F28-K32 HydrophobicContact CE1-CD 4.15Å; F28-K32 HydrophobicContact CZ-CD 4.3Å; F28-K32 WeakPolarHBondContact O-CB 3.33Å; F28-K32 PolarHBondContact O-N 3.46Å; H29-K32 WeakPolarHBondContact O-CB 3.43Å; H29-K32 PolarHBondContact O-N 2.96Å; T30-K32 PolarHBondContact O-N 3.49Å; K32-Q36 PolarHBondContact O-N 3.15Å; K32-R47 HydrophobicContact CG-CG 4.46Å; K32-N48 WeakPolarHBondContact CD-OD1 3.02Å; K32-A51 HydrophobicContact CB-CB 4.02Å
33F96Very high94.9Very high135 Ų13569.7 Ų69.759%0.59238%0.381SS*.Hα-helixtrans-67.9-46174-76-69.2000111.2H29 T30 C35 Q36 D37H29-F33 WeakPolarHBondContact O-CD2 3Å; H29-F33 PolarHBondContact O-N 3.47Å; T30-F33 PolarHBondContact O-N 2.97Å; T30-F33 VanDerWaalsContact O-N 3.09Å; F33-C35 VanDerWaalsContact C-N 3.33Å; F33-C35 PolarHBondContact O-N 3.16Å; F33-Q36 WeakPolarHBondContact O-CA 3.21Å; F33-Q36 WeakPolarHBondContact O-CB 3.38Å; F33-Q36 PolarHBondContact O-N 3.04Å; F33-D37 PolarHBondContact O-N 3.05Å
34V95.9Very high95Very high29 Ų2971.7 Ų71.718%0.17639%0.39CS..Hα-helixtrans-59.2-42.2177173.30000111.6K23 L24 T30 Q36 D37 I38K23-V34 HydrophobicContact CB-CG1 4.17Å; L24-V34 HydrophobicContact CD2-CB 4.45Å; L24-V34 HydrophobicContact CD2-CG1 3.8Å; T30-V34 WeakPolarHBondContact O-CG2 3.35Å; T30-V34 PolarHBondContact O-N 3.14Å; V34-Q36 VanDerWaalsContact C-N 3.26Å; V34-Q36 PolarHBondContact O-N 3.13Å; V34-D37 PolarHBondContact O-N 3.4Å; V34-I38 HydrophobicContact CG1-CD1 3.36Å; V34-I38 HydrophobicContact CG1-CG1 4.23Å; V34-I38 WeakPolarHBondContact O-CB 3.35Å; V34-I38 VanDerWaalsContact O-CG1 3.28Å; V34-I38 WeakPolarHBondContact O-CG1 3.47Å; V34-I38 PolarHBondContact O-N 3.48Å
35C95.4Very high95.1Very high0 Ų080 Ų800%042%0.42CS..Hα-helixtrans-65.2-27.7175.1-71.60000113.5N31 F33 A39 I41N31-C35 VanDerWaalsContact O-CB 3.3Å; N31-C35 WeakPolarHBondContact O-CB 3.41Å; N31-C35 PolarHBondContact O-N 3.29Å; N31-C35 PolarHBondContact O-SG 3.25Å; F33-C35 VanDerWaalsContact C-N 3.33Å; F33-C35 PolarHBondContact O-N 3.16Å; C35-A39 PolarHBondContact O-N 2.99Å; C35-I41 HydrophobicContact CB-CD1 4.39Å
36Q94.3Very high95.1Very high97 Ų9780.6 Ų80.645%0.45342%0.42SS..Hα-helixtrans-75.3-34.8176.2-177.9171.6-25.700111.7K32 F33 V34K32-Q36 PolarHBondContact O-N 3.15Å; F33-Q36 WeakPolarHBondContact O-CA 3.21Å; F33-Q36 WeakPolarHBondContact O-CB 3.38Å; F33-Q36 PolarHBondContact O-N 3.04Å; V34-Q36 VanDerWaalsContact C-N 3.26Å; V34-Q36 PolarHBondContact O-N 3.13Å
37D94.8Very high95.2Very high132 Ų13276 Ų7671%0.70640%0.403SS*.Hα-helixtrans-73.8-42.4178.2-168.148.1000111.7F33 V34F33-D37 PolarHBondContact O-N 3.05Å; V34-D37 PolarHBondContact O-N 3.4Å
38I93.4Very high95.2Very high41 Ų4175.2 Ų75.221%0.2140%0.399CS..Hα-helixtrans-75.3-35.3-176.9-67.3167.8000112.8I16 F20 V34I16-I38 HydrophobicContact CG2-CD1 4.48Å; F20-I38 HydrophobicContact CB-CD1 3.67Å; F20-I38 HydrophobicContact CD1-CD1 4.06Å; F20-I38 HydrophobicContact CD1-CG1 4.35Å; F20-I38 HydrophobicContact CD2-CD1 3.82Å; F20-I38 HydrophobicContact CD2-CG1 4.32Å; F20-I38 HydrophobicContact CD2-CG2 3.6Å; F20-I38 HydrophobicContact CE2-CD1 4.47Å; F20-I38 HydrophobicContact CE2-CG1 4.49Å; F20-I38 HydrophobicContact CE2-CG2 3.31Å; F20-I38 HydrophobicContact CG-CD1 3.58Å; F20-I38 HydrophobicContact CG-CG1 4.24Å; F20-I38 HydrophobicContact CG-CG2 4.34Å; F20-I38 HydrophobicContact CZ-CG2 3.84Å; V34-I38 HydrophobicContact CG1-CD1 3.36Å; V34-I38 HydrophobicContact CG1-CG1 4.23Å; V34-I38 WeakPolarHBondContact O-CB 3.35Å; V34-I38 VanDerWaalsContact O-CG1 3.28Å; V34-I38 WeakPolarHBondContact O-CG1 3.47Å; V34-I38 PolarHBondContact O-N 3.48Å
39A92.8Very high95.1Very high30 Ų3074.9 Ų74.925%0.24840%0.399CS..SBendtrans-133.4133.5-168.300000113.2C35 I41C35-A39 PolarHBondContact O-N 2.99Å; A39-I41 HydrophobicContact CB-CD1 4.17Å; A39-I41 HydrophobicContact CB-CG1 3.98Å; A39-I41 PolarHBondContact O-N 2.9Å
40C94.1Very high95.1Very high147 Ų14770.5 Ų70.599%0.99338%0.379SS*.  trans-71.386.6171.4-61.30000110.7
41I93.5Very high95.1Very high25 Ų2567.7 Ų67.713%0.12836%0.362CS..  trans-100.2110.7-179.5-56.6163.6000110.1C35 A39 S43 L46 R47 I50C35-I41 HydrophobicContact CB-CD1 4.39Å; A39-I41 HydrophobicContact CB-CD1 4.17Å; A39-I41 HydrophobicContact CB-CG1 3.98Å; A39-I41 PolarHBondContact O-N 2.9Å; I41-S43 VanDerWaalsContact C-N 3.3Å; I41-S43 PolarHBondContact O-N 2.82Å; I41-L46 HydrophobicContact CG2-CB 3.77Å; I41-R47 HydrophobicContact CB-CB 4.38Å; I41-R47 HydrophobicContact CD1-CB 4.22Å; I41-R47 HydrophobicContact CD1-CG 4.11Å; I41-R47 HydrophobicContact CG2-CB 3.95Å; I41-I50 HydrophobicContact CD1-CD1 3.98Å; I41-I50 HydrophobicContact CG1-CD1 4.37Å
42G91.5Very high95.2Very high89 Ų8968.6 Ų68.692%0.91837%0.371SS*.SBendtrans-69.1-14.4-172.800000116.5
43S95.3Very high95.2Very high43 Ų4367.7 Ų67.730%0.30137%0.366SS..  trans-132.6141.9175.778.30000113.8I41 R45 L46 R47I41-S43 VanDerWaalsContact C-N 3.3Å; I41-S43 PolarHBondContact O-N 2.82Å; S43-R45 PolarHBondContact O-N 2.83Å; S43-L46 PolarHBondContact O-N 3.14Å; S43-L46 VanDerWaalsContact OG-CB 3.29Å; S43-L46 WeakPolarHBondContact OG-CB 3.44Å; S43-L46 WeakPolarHBondContact OG-CD1 3.28Å; S43-L46 WeakPolarHBondContact OG-CG 3.27Å; S43-L46 PolarHBondContact OG-N 3.15Å; S43-R47 PolarHBondContact O-N 3.02Å
44K95.6Very high95.2Very high153 Ų15361.2 Ų61.267%0.66534%0.338SS*.Hα-helixtrans-56.5-39.5175.8-177.2179.3179.5179.60111.9R47 N48K44-R47 PolarHBondContact O-N 3.29Å; K44-N48 VanDerWaalsContact O-CG 3.25Å; K44-N48 PolarHBondContact O-N 3.13Å; K44-N48 PolarHBondContact O-OD1 3.34Å
45R95.2Very high95.2Very high191 Ų19160.6 Ų60.672%0.72133%0.334SS*.Hα-helixtrans-65.5-45.7179.2-172.7-177.5167.698.5-2.6111.6S43 R47 N48 M49S43-R45 PolarHBondContact O-N 2.83Å; R45-R47 VanDerWaalsContact C-N 3.35Å; R45-N48 PolarHBondContact O-N 3.21Å; R45-M49 HydrophobicContact CG-CE 4.19Å; R45-M49 WeakPolarHBondContact O-CG 3.49Å; R45-M49 PolarHBondContact O-N 3.16Å
46L95.2Very high95.2Very high74 Ų7465.1 Ų65.139%0.38736%0.355SS..Hα-helixtrans-61.7-44176.5-73.2172.5000111.1I41 S43 N48 M49 I50I41-L46 HydrophobicContact CG2-CB 3.77Å; S43-L46 PolarHBondContact O-N 3.14Å; S43-L46 VanDerWaalsContact OG-CB 3.29Å; S43-L46 WeakPolarHBondContact OG-CB 3.44Å; S43-L46 WeakPolarHBondContact OG-CD1 3.28Å; S43-L46 WeakPolarHBondContact OG-CG 3.27Å; S43-L46 PolarHBondContact OG-N 3.15Å; L46-N48 PolarHBondContact O-N 3.02Å; L46-M49 HydrophobicContact CD2-CE 3.68Å; L46-M49 HydrophobicContact CG-CE 4.43Å; L46-M49 PolarHBondContact O-N 3.17Å; L46-M49 VanDerWaalsContact O-N 3.17Å; L46-I50 WeakPolarHBondContact O-CG1 3.31Å; L46-I50 PolarHBondContact O-N 2.95Å
47R96.2Very high95.3Very high54 Ų5460.7 Ų60.720%0.20433%0.334CS..Hα-helixtrans-56.3-49.1177.3-173.5-171.5-56.5150.511.2111.8K32 I41 S43 K44 R45 M49 I50 A51K32-R47 HydrophobicContact CG-CG 4.46Å; I41-R47 HydrophobicContact CB-CB 4.38Å; I41-R47 HydrophobicContact CD1-CB 4.22Å; I41-R47 HydrophobicContact CD1-CG 4.11Å; I41-R47 HydrophobicContact CG2-CB 3.95Å; S43-R47 PolarHBondContact O-N 3.02Å; K44-R47 PolarHBondContact O-N 3.29Å; R45-R47 VanDerWaalsContact C-N 3.35Å; R47-M49 VanDerWaalsContact C-N 3.32Å; R47-M49 PolarHBondContact O-N 3.39Å; R47-I50 PolarHBondContact O-N 3.35Å; R47-A51 WeakPolarHBondContact O-CB 3.43Å; R47-A51 PolarHBondContact O-N 3.09Å
48N96.6Very high95.3Very high56 Ų5655 Ų5530%0.29930%0.304SS..Hα-helixtrans-64.9-35.7179.6-68.8-7.6000112.4F28 K32 K44 R45 L46 G52F28-N48 HydrophobicContact CZ-CB 4.31Å; K32-N48 WeakPolarHBondContact CD-OD1 3.02Å; K44-N48 VanDerWaalsContact O-CG 3.25Å; K44-N48 PolarHBondContact O-N 3.13Å; K44-N48 PolarHBondContact O-OD1 3.34Å; R45-N48 PolarHBondContact O-N 3.21Å; L46-N48 PolarHBondContact O-N 3.02Å; N48-G52 PolarHBondContact O-N 2.68Å
49M96.1Very high95.3Very high59 Ų5959.3 Ų59.329%0.29132%0.321SS..Hα-helixtrans-68.3-40.5176.6-73.4-171.2-61.700112.6V9 R45 L46 R47 Y53V9-M49 HydrophobicContact CG1-CB 4.13Å; V9-M49 HydrophobicContact CG2-CB 4.19Å; V9-M49 HydrophobicContact CG2-CE 4.37Å; R45-M49 HydrophobicContact CG-CE 4.19Å; R45-M49 WeakPolarHBondContact O-CG 3.49Å; R45-M49 PolarHBondContact O-N 3.16Å; L46-M49 HydrophobicContact CD2-CE 3.68Å; L46-M49 HydrophobicContact CG-CE 4.43Å; L46-M49 PolarHBondContact O-N 3.17Å; L46-M49 VanDerWaalsContact O-N 3.17Å; R47-M49 VanDerWaalsContact C-N 3.32Å; R47-M49 PolarHBondContact O-N 3.39Å; M49-Y53 PolarHBondContact O-N 3.28Å; M49-Y53 VanDerWaalsContact O-N 3.09Å
50I96.6Very high95.4Very high16 Ų1663.5 Ų63.58%0.08233%0.33CS..Hα-helixtrans-66.4-55176.6-65168.9000109.4V9 A12 I16 I41 L46 R47 G52 Y53 V54V9-I50 HydrophobicContact CG1-CG1 4.15Å; A12-I50 HydrophobicContact CB-CD1 4.28Å; I16-I50 HydrophobicContact CD1-CG2 3.64Å; I41-I50 HydrophobicContact CD1-CD1 3.98Å; I41-I50 HydrophobicContact CG1-CD1 4.37Å; L46-I50 WeakPolarHBondContact O-CG1 3.31Å; L46-I50 PolarHBondContact O-N 2.95Å; R47-I50 PolarHBondContact O-N 3.35Å; I50-G52 PolarHBondContact O-N 2.87Å; I50-Y53 PolarHBondContact O-N 2.93Å; I50-V54 HydrophobicContact CG2-CG2 4.28Å; I50-V54 WeakPolarHBondContact O-CG2 3.42Å; I50-V54 PolarHBondContact O-N 2.75Å
51A97Very high95.3Very high0 Ų057.3 Ų57.30%029%0.287CS..Hα-helixtrans-55.8-39.817900000112.2F28 K32 R47 Y53 V54 T55F28-A51 HydrophobicContact CD2-CB 4.33Å; F28-A51 HydrophobicContact CE2-CB 3.88Å; K32-A51 HydrophobicContact CB-CB 4.02Å; R47-A51 WeakPolarHBondContact O-CB 3.43Å; R47-A51 PolarHBondContact O-N 3.09Å; A51-Y53 PolarHBondContact O-N 3.18Å; A51-V54 PolarHBondContact O-N 3.19Å; A51-T55 WeakPolarHBondContact O-CG2 3.43Å; A51-T55 PolarHBondContact O-N 3.09Å; A51-T55 PolarHBondContact O-OG1 3.21Å
52G97.1Very high95Very high19 Ų1961 Ų6120%0.19630%0.303CS..Hα-helixtrans-71.2-25.6177.400000114.4N48 I50 T55 H56N48-G52 PolarHBondContact O-N 2.68Å; I50-G52 PolarHBondContact O-N 2.87Å; G52-T55 PolarHBondContact O-OG1 3.12Å; G52-H56 PolarHBondContact O-N 3.3Å
53Y96.5Very high94.9Very high31 Ų3161.5 Ų61.512%0.12230%0.299CS..Hα-helixtrans-83.3-33.2172.7-162.7-108.2000111.3R5 K10 M49 I50 A51 H56 L57R5-Y53 HydrophobicContact CB-CD2 4.48Å; R5-Y53 HydrophobicContact CG-CD2 4.16Å; K10-Y53 HydrophobicContact CB-CD1 4.49Å; K10-Y53 HydrophobicContact CB-CE1 3.88Å; K10-Y53 HydrophobicContact CD-CE1 4.49Å; K10-Y53 HydrophobicContact CG-CD1 4.28Å; K10-Y53 HydrophobicContact CG-CE1 3.67Å; K10-Y53 HydrophobicContact CG-CE2 4.25Å; M49-Y53 PolarHBondContact O-N 3.28Å; M49-Y53 VanDerWaalsContact O-N 3.09Å; I50-Y53 PolarHBondContact O-N 2.93Å; A51-Y53 PolarHBondContact O-N 3.18Å; Y53-H56 WeakPolarHBondContact O-CB 3.44Å; Y53-H56 PolarHBondContact O-N 2.99Å; Y53-L57 HydrophobicContact CD1-CD1 3.82Å; Y53-L57 HydrophobicContact CD1-CG 4.3Å; Y53-L57 HydrophobicContact CE1-CD1 3.71Å; Y53-L57 HydrophobicContact CE1-CD2 4.37Å; Y53-L57 HydrophobicContact CE1-CG 4.14Å; Y53-L57 WeakPolarHBondContact O-CG 3.36Å; Y53-L57 PolarHBondContact O-N 3.28Å
54V96.1Very high94.6Very high0 Ų060.8 Ų60.80%030%0.298CS..Hα-helixtrans-61.2-48.4171.7172.70000111.1I17 L24 I50 A51 H56 L57 M58I17-V54 HydrophobicContact CD1-CG1 4.24Å; I17-V54 HydrophobicContact CG1-CG1 4.03Å; I17-V54 HydrophobicContact CG1-CG2 4.47Å; L24-V54 HydrophobicContact CD1-CG1 3.99Å; L24-V54 HydrophobicContact CD2-CG1 3.88Å; L24-V54 HydrophobicContact CG-CG1 4.42Å; I50-V54 HydrophobicContact CG2-CG2 4.28Å; I50-V54 WeakPolarHBondContact O-CG2 3.42Å; I50-V54 PolarHBondContact O-N 2.75Å; A51-V54 PolarHBondContact O-N 3.19Å; V54-H56 VanDerWaalsContact C-N 3.27Å; V54-H56 PolarHBondContact O-N 3.41Å; V54-L57 PolarHBondContact O-N 3.48Å; V54-L57 VanDerWaalsContact O-N 3.14Å; V54-M58 HydrophobicContact CG1-CG 4.38Å; V54-M58 WeakPolarHBondContact O-CG 3.2Å; V54-M58 PolarHBondContact O-N 3.14Å
55T96.5Very high94.3Very high16 Ų1657.6 Ų57.610%0.09829%0.293CS..Hα-helixtrans-59.8-38.7175.252.40000112.7D27 F28 N31 A51 G52 L57 M58 K59D27-T55 WeakPolarHBondContact O-CG2 3.43Å; F28-T55 HydrophobicContact CB-CG2 4.08Å; F28-T55 HydrophobicContact CD2-CG2 4.36Å; N31-T55 HydrophobicContact CB-CG2 4.12Å; N31-T55 VanDerWaalsContact ND2-CG2 3.28Å; N31-T55 WeakPolarHBondContact ND2-CG2 3.37Å; A51-T55 WeakPolarHBondContact O-CG2 3.43Å; A51-T55 PolarHBondContact O-N 3.09Å; A51-T55 PolarHBondContact O-OG1 3.21Å; G52-T55 PolarHBondContact O-OG1 3.12Å; T55-L57 VanDerWaalsContact C-N 3.33Å; T55-L57 PolarHBondContact O-N 2.88Å; T55-M58 PolarHBondContact O-N 3.36Å; T55-K59 WeakPolarHBondContact O-CG 3.36Å; T55-K59 PolarHBondContact O-N 2.73Å
56H95.4Very high94.1Very high95 Ų9549 Ų4944%0.4426%0.262SS..Hα-helixtrans-63.2-40.7176.9-179.763000111.8G52 Y53 V54 R60G52-H56 PolarHBondContact O-N 3.3Å; Y53-H56 WeakPolarHBondContact O-CB 3.44Å; Y53-H56 PolarHBondContact O-N 2.99Å; V54-H56 VanDerWaalsContact C-N 3.27Å; V54-H56 PolarHBondContact O-N 3.41Å; H56-R60 WeakPolarHBondContact O-CG 3.11Å; H56-R60 PolarHBondContact O-N 2.96Å
57L95.7Very high93.8Very high3 Ų356.6 Ų56.62%0.01629%0.285CS..Hα-helixtrans-69.2-39.9175.2-67.9171.6000111.6R14 I17 Y53 V54 T55 K59 R60 F61 V66 I69R14-L57 HydrophobicContact CG-CD1 4.4Å; I17-L57 HydrophobicContact CD1-CB 3.48Å; I17-L57 VanDerWaalsContact CD1-CB 3.48Å; I17-L57 HydrophobicContact CD1-CD1 3.46Å; I17-L57 VanDerWaalsContact CD1-CD1 3.46Å; I17-L57 HydrophobicContact CD1-CG 4.11Å; Y53-L57 HydrophobicContact CD1-CD1 3.82Å; Y53-L57 HydrophobicContact CD1-CG 4.3Å; Y53-L57 HydrophobicContact CE1-CD1 3.71Å; Y53-L57 HydrophobicContact CE1-CD2 4.37Å; Y53-L57 HydrophobicContact CE1-CG 4.14Å; Y53-L57 WeakPolarHBondContact O-CG 3.36Å; Y53-L57 PolarHBondContact O-N 3.28Å; V54-L57 PolarHBondContact O-N 3.48Å; V54-L57 VanDerWaalsContact O-N 3.14Å; T55-L57 VanDerWaalsContact C-N 3.33Å; T55-L57 PolarHBondContact O-N 2.88Å; L57-K59 VanDerWaalsContact C-N 3.35Å; L57-K59 PolarHBondContact O-N 3.34Å; L57-R60 WeakPolarHBondContact O-CA 3.48Å; L57-R60 WeakPolarHBondContact O-CB 3.28Å; L57-R60 PolarHBondContact O-N 3.3Å; L57-F61 WeakPolarHBondContact O-CD2 3.38Å; L57-F61 PolarHBondContact O-N 3.34Å; L57-F61 VanDerWaalsContact O-N 3.12Å; L57-V66 HydrophobicContact CD2-CG1 4.1Å; L57-I69 HydrophobicContact CD1-CD1 3.84Å; L57-I69 HydrophobicContact CD2-CD1 4.06Å; L57-I69 HydrophobicContact CG-CD1 4.36Å
58M94.4Very high93.3Very high12 Ų1257.1 Ų57.16%0.05931%0.307CS..Hα-helixtrans-58.5-43.2176-73.4-68.1161.400112.6I17 Y21 L24 V54 T55 R60 F61I17-M58 HydrophobicContact CB-CE 4.31Å; I17-M58 HydrophobicContact CD1-CE 4.31Å; I17-M58 HydrophobicContact CG1-CE 3.77Å; I17-M58 HydrophobicContact CG2-CE 3.86Å; Y21-M58 HydrophobicContact CD2-CE 3.59Å; Y21-M58 HydrophobicContact CD2-SD 4.16Å; Y21-M58 HydrophobicContact CE2-CE 3.82Å; Y21-M58 HydrophobicContact CE2-SD 3.76Å; L24-M58 HydrophobicContact CB-CE 3.37Å; L24-M58 HydrophobicContact CB-SD 4.15Å; L24-M58 HydrophobicContact CD1-CE 3.44Å; L24-M58 VanDerWaalsContact CD1-CE 3.44Å; L24-M58 HydrophobicContact CG-CE 4.03Å; V54-M58 HydrophobicContact CG1-CG 4.38Å; V54-M58 WeakPolarHBondContact O-CG 3.2Å; V54-M58 PolarHBondContact O-N 3.14Å; T55-M58 PolarHBondContact O-N 3.36Å; M58-R60 PolarHBondContact O-N 3.3Å; M58-F61 PolarHBondContact O-N 3.25Å
59K94.6Very high93.1Very high132 Ų13254.9 Ų54.957%0.57430%0.295SS*.Hα-helixtrans-63.4-28.5174.2-69.7-178.8-179.1-168.70113.1T55 L57T55-K59 WeakPolarHBondContact O-CG 3.36Å; T55-K59 PolarHBondContact O-N 2.73Å; L57-K59 VanDerWaalsContact C-N 3.35Å; L57-K59 PolarHBondContact O-N 3.34Å
60R94.7Very high92.7Very high118 Ų11854.6 Ų54.645%0.44530%0.299SS..Hα-helixtrans-76.4-28.9177.3-72-177.261.7-168.8-3.1112.9H56 L57 M58 E62 A63 G64 V66H56-R60 WeakPolarHBondContact O-CG 3.11Å; H56-R60 PolarHBondContact O-N 2.96Å; L57-R60 WeakPolarHBondContact O-CA 3.48Å; L57-R60 WeakPolarHBondContact O-CB 3.28Å; L57-R60 PolarHBondContact O-N 3.3Å; M58-R60 PolarHBondContact O-N 3.3Å; R60-E62 PolarHBondContact O-N 2.99Å; R60-A63 PolarHBondContact O-N 3.13Å; R60-A63 VanDerWaalsContact O-N 3.14Å; R60-G64 PolarHBondContact O-N 3.14Å; R60-G64 VanDerWaalsContact O-O 3.09Å; R60-V66 HydrophobicContact CB-CG2 3.7Å
61F91.3Very high92.4Very high18 Ų1854.1 Ų54.18%0.07930%0.297CS..Hα-helixtrans-61.6-28.4176.5-84.9-73.2000112.9I17 Y21 L57 M58 A63 G64 V66 I69 I71I17-F61 HydrophobicContact CG2-CE2 3.85Å; I17-F61 HydrophobicContact CG2-CZ 4.21Å; Y21-F61 HydrophobicContact CE2-CD2 4.36Å; Y21-F61 HydrophobicContact CE2-CG 4.42Å; L57-F61 WeakPolarHBondContact O-CD2 3.38Å; L57-F61 PolarHBondContact O-N 3.34Å; L57-F61 VanDerWaalsContact O-N 3.12Å; M58-F61 PolarHBondContact O-N 3.25Å; F61-A63 VanDerWaalsContact C-N 3.34Å; F61-G64 WeakPolarHBondContact CA-O 3.46Å; F61-G64 PolarHBondContact O-N 3.27Å; F61-V66 HydrophobicContact CD1-CG2 4.07Å; F61-V66 HydrophobicContact CD2-CG2 3.96Å; F61-V66 HydrophobicContact CE1-CB 4.08Å; F61-V66 HydrophobicContact CE1-CG2 4.04Å; F61-V66 HydrophobicContact CE2-CB 4.23Å; F61-V66 HydrophobicContact CE2-CG2 3.92Å; F61-V66 HydrophobicContact CG-CG2 4.02Å; F61-V66 HydrophobicContact CZ-CB 3.89Å; F61-V66 HydrophobicContact CZ-CG2 3.96Å; F61-I69 HydrophobicContact CE2-CD1 4.17Å; F61-I69 HydrophobicContact CE2-CG2 4.44Å; F61-I69 HydrophobicContact CZ-CB 4.04Å; F61-I69 HydrophobicContact CZ-CD1 4.16Å; F61-I69 HydrophobicContact CZ-CG2 3.78Å; F61-I71 HydrophobicContact CD1-CD1 3.84Å; F61-I71 HydrophobicContact CE1-CD1 3.3Å; F61-I71 HydrophobicContact CE1-CG1 4.25Å; F61-I71 HydrophobicContact CE2-CD1 4.22Å; F61-I71 HydrophobicContact CG-CD1 4.49Å; F61-I71 HydrophobicContact CZ-CD1 3.52Å; F61-I71 HydrophobicContact CZ-CG1 4.22Å
62E86.6Confident91.8Very high102 Ų10261.6 Ų61.648%0.47733%0.329SS..Hα-helixtrans-65.5-37.3174.5-66.8175.2-12900113R26 R60 G64R26-E62 WeakPolarHBondContact CD-OE1 3.42Å; R26-E62 IonicContact CZ-OE1 2.89Å; R26-E62 IonicContact CZ-OE2 3.1Å; R26-E62 IonicContact NE-OE1 2.87Å; R26-E62 PolarHBondContact NE-OE1 2.97Å; R26-E62 IonicContact NE-OE2 3.91Å; R26-E62 IonicContact NH1-OE1 3.09Å; R26-E62 PolarHBondContact NH1-OE1 3.35Å; R26-E62 VanDerWaalsContact NH1-OE1 3.09Å; R26-E62 IonicContact NH1-OE2 2.75Å; R26-E62 PolarHBondContact NH1-OE2 3.49Å; R26-E62 VanDerWaalsContact NH2-CG 3.35Å; R26-E62 IonicContact NH2-OE1 3.48Å; R26-E62 PolarHBondContact NH2-OE1 3.41Å; R26-E62 IonicContact NH2-OE2 3.28Å; R26-E62 PolarHBondContact NH2-OE2 3.05Å; R60-E62 PolarHBondContact O-N 2.99Å; E62-G64 VanDerWaalsContact C-N 3.29Å
63A89.8Confident91.3Very high100 Ų10065.6 Ų65.683%0.82635%0.345SS*.Hα-helixtrans-77.7-18.9179.300000112.3R60 F61R60-A63 PolarHBondContact O-N 3.13Å; R60-A63 VanDerWaalsContact O-N 3.14Å; F61-A63 VanDerWaalsContact C-N 3.34Å
64G88.3Confident90.8Very high27 Ų2766.2 Ų66.228%0.27835%0.349SS..SBendtrans152.2-179.1178.800000113.5R60 F61 E62 V66R60-G64 PolarHBondContact O-N 3.14Å; R60-G64 VanDerWaalsContact O-O 3.09Å; F61-G64 WeakPolarHBondContact CA-O 3.46Å; F61-G64 PolarHBondContact O-N 3.27Å; E62-G64 VanDerWaalsContact C-N 3.29Å; G64-V66 PolarHBondContact O-N 3.36Å
65P90Very high90.3Very high86 Ų8670.4 Ų70.456%0.55837%0.369SS*.PPolyproline II helixtrans-64.5128.9-178.726-33.3000111.1
66V90.7Very high89.8Confident10 Ų1074.6 Ų74.66%0.06139%0.387CS..PPolyproline II helixtrans-83.7123.3178.2-177.60000109.6L57 R60 F61 G64 G68 I69L57-V66 HydrophobicContact CD2-CG1 4.1Å; R60-V66 HydrophobicContact CB-CG2 3.7Å; F61-V66 HydrophobicContact CD1-CG2 4.07Å; F61-V66 HydrophobicContact CD2-CG2 3.96Å; F61-V66 HydrophobicContact CE1-CB 4.08Å; F61-V66 HydrophobicContact CE1-CG2 4.04Å; F61-V66 HydrophobicContact CE2-CB 4.23Å; F61-V66 HydrophobicContact CE2-CG2 3.92Å; F61-V66 HydrophobicContact CG-CG2 4.02Å; F61-V66 HydrophobicContact CZ-CB 3.89Å; F61-V66 HydrophobicContact CZ-CG2 3.96Å; G64-V66 PolarHBondContact O-N 3.36Å; V66-G68 PolarHBondContact O-N 3.47Å; V66-I69 HydrophobicContact CB-CD1 4.23Å; V66-I69 HydrophobicContact CG1-CD1 3.83Å; V66-I69 HydrophobicContact CG1-CG1 4.36Å; V66-I69 PolarHBondContact O-N 3.42Å
67R89.5Confident89.4Confident235 Ų23575.2 Ų75.289%0.88739%0.391SS*.THydrogen-bonded Turntrans-58.1134.2177.4-66.8-173.6179.4-158.7-0.2111.9
68G86.8Confident89.1Confident64 Ų6482.3 Ų82.366%0.6642%0.417SS*.THydrogen-bonded Turntrans75.224.6174.300000114.4R14 V66R14-G68 WeakPolarHBondContact CD-O 3.47Å; V66-G68 PolarHBondContact O-N 3.47Å
69I90.4Very high88.8Confident10 Ų1087.6 Ų87.65%0.05144%0.442CS..  trans-133.7121167.5-56.8177.1000105.8R14 I17 E18 L57 F61 V66R14-I69 HydrophobicContact CB-CG1 4.22Å; R14-I69 HydrophobicContact CG-CD1 3.98Å; R14-I69 HydrophobicContact CG-CG1 3.82Å; I17-I69 HydrophobicContact CB-CG2 4.35Å; I17-I69 HydrophobicContact CD1-CD1 4.41Å; I17-I69 HydrophobicContact CG2-CG2 3.73Å; E18-I69 HydrophobicContact CG-CG2 3.87Å; L57-I69 HydrophobicContact CD1-CD1 3.84Å; L57-I69 HydrophobicContact CD2-CD1 4.06Å; L57-I69 HydrophobicContact CG-CD1 4.36Å; F61-I69 HydrophobicContact CE2-CD1 4.17Å; F61-I69 HydrophobicContact CE2-CG2 4.44Å; F61-I69 HydrophobicContact CZ-CB 4.04Å; F61-I69 HydrophobicContact CZ-CD1 4.16Å; F61-I69 HydrophobicContact CZ-CG2 3.78Å; V66-I69 HydrophobicContact CB-CD1 4.23Å; V66-I69 HydrophobicContact CG1-CD1 3.83Å; V66-I69 HydrophobicContact CG1-CG1 4.36Å; V66-I69 PolarHBondContact O-N 3.42Å
70S89.3Confident88.7Confident53 Ų5389.5 Ų89.537%0.37145%0.445SS..  trans-100.8126.3170.847.80000110.4E18 E75E18-S70 WeakPolarHBondContact CG-O 3.48Å; S70-E75 WeakPolarHBondContact CB-OE1 3.36Å; S70-E75 PolarHBondContact OG-OE1 3.09Å
71I89.5Confident88.5Confident6 Ų693.9 Ų93.93%0.03146%0.462CS..  trans-106.1132.8169.3-59.6165.2000105.6Y21 F61 L73 Q74 E75Y21-I71 HydrophobicContact CD1-CD1 4.26Å; Y21-I71 HydrophobicContact CD1-CG2 3.84Å; Y21-I71 HydrophobicContact CD2-CD1 3.38Å; Y21-I71 HydrophobicContact CD2-CG1 4.03Å; Y21-I71 HydrophobicContact CD2-CG2 4.47Å; Y21-I71 HydrophobicContact CE1-CD1 4.26Å; Y21-I71 HydrophobicContact CE1-CG2 4.49Å; Y21-I71 HydrophobicContact CE2-CD1 3.38Å; Y21-I71 HydrophobicContact CE2-CG1 4.49Å; Y21-I71 HydrophobicContact CG-CD1 3.85Å; Y21-I71 HydrophobicContact CG-CG1 4.2Å; Y21-I71 HydrophobicContact CG-CG2 3.83Å; F61-I71 HydrophobicContact CD1-CD1 3.84Å; F61-I71 HydrophobicContact CE1-CD1 3.3Å; F61-I71 HydrophobicContact CE1-CG1 4.25Å; F61-I71 HydrophobicContact CE2-CD1 4.22Å; F61-I71 HydrophobicContact CG-CD1 4.49Å; F61-I71 HydrophobicContact CZ-CD1 3.52Å; F61-I71 HydrophobicContact CZ-CG1 4.22Å; I71-L73 HydrophobicContact CG2-CB 3.92Å; I71-L73 PolarHBondContact O-N 3.01Å; I71-L73 VanDerWaalsContact O-N 3.14Å; I71-Q74 HydrophobicContact CB-CB 4.36Å; I71-Q74 HydrophobicContact CB-CG 4.16Å; I71-Q74 HydrophobicContact CD1-CG 4.5Å; I71-Q74 WeakPolarHBondContact O-CA 3.49Å; I71-Q74 WeakPolarHBondContact O-CB 3.3Å; I71-Q74 PolarHBondContact O-N 3.4Å; I71-E75 PolarHBondContact O-N 2.86Å
72K85.4Confident88.4Confident156 Ų15699.3 Ų99.368%0.67849%0.491SS*.Hα-helixtrans-49.2-42.9178-69.8-172.2171.9-168.70112.7Q74 E75 E76K72-Q74 VanDerWaalsContact C-N 3.28Å; K72-Q74 PolarHBondContact O-N 3.09Å; K72-E75 PolarHBondContact O-N 2.93Å; K72-E75 VanDerWaalsContact O-N 3.15Å; K72-E76 WeakPolarHBondContact O-CG 3.43Å; K72-E76 PolarHBondContact O-N 3.18Å
73L86Confident88.6Confident104 Ų104100.7 Ų100.755%0.54550%0.502SS..Hα-helixtrans-56.1-40.5175.7-163.192.6000112.8I71 E77I71-L73 HydrophobicContact CG2-CB 3.92Å; I71-L73 PolarHBondContact O-N 3.01Å; I71-L73 VanDerWaalsContact O-N 3.14Å; L73-E77 PolarHBondContact O-N 3.29Å
74Q85.4Confident88.6Confident43 Ų43104.2 Ų104.220%0.20150%0.496CS..Hα-helixtrans-76.1-33.2179-69.5-175.2-23.100112.3I71 K72 R78I71-Q74 HydrophobicContact CB-CB 4.36Å; I71-Q74 HydrophobicContact CB-CG 4.16Å; I71-Q74 HydrophobicContact CD1-CG 4.5Å; I71-Q74 WeakPolarHBondContact O-CA 3.49Å; I71-Q74 WeakPolarHBondContact O-CB 3.3Å; I71-Q74 PolarHBondContact O-N 3.4Å; K72-Q74 VanDerWaalsContact C-N 3.28Å; K72-Q74 PolarHBondContact O-N 3.09Å; Q74-R78 WeakPolarHBondContact O-CB 3.37Å; Q74-R78 WeakPolarHBondContact O-CG 3.38Å; Q74-R78 PolarHBondContact O-N 3.45Å
75E85.1Confident88.4Confident88 Ų88110.5 Ų110.541%0.41152%0.518SS..Hα-helixtrans-65-46.5175.5-71.9176.5159.200110.4S70 I71 K72 E77 R78 E79S70-E75 WeakPolarHBondContact CB-OE1 3.36Å; S70-E75 PolarHBondContact OG-OE1 3.09Å; I71-E75 PolarHBondContact O-N 2.86Å; K72-E75 PolarHBondContact O-N 2.93Å; K72-E75 VanDerWaalsContact O-N 3.15Å; E75-E77 PolarHBondContact O-N 2.93Å; E75-R78 WeakPolarHBondContact O-CB 3.36Å; E75-R78 PolarHBondContact O-N 3.46Å; E75-R78 VanDerWaalsContact O-N 3.14Å; E75-E79 WeakPolarHBondContact O-CG 3.27Å; E75-E79 PolarHBondContact O-N 3.33Å
76E87.2Confident88.4Confident104 Ų104109.2 Ų109.249%0.48651%0.509SS..Hα-helixtrans-62.3-39177.8-70.8172.8-164.700113.2K72 R80K72-E76 WeakPolarHBondContact O-CG 3.43Å; K72-E76 PolarHBondContact O-N 3.18Å; E76-R80 PolarHBondContact O-N 3.22Å; E76-R80 VanDerWaalsContact O-N 3.15Å
77E86.9Confident88.2Confident109 Ų109118.5 Ų118.551%0.50955%0.552SS.*Hα-helixtrans-69.4-34.6174.6-77.2-169.315400112.7L73 E75 R81L73-E77 PolarHBondContact O-N 3.29Å; E75-E77 PolarHBondContact O-N 2.93Å; E77-R81 PolarHBondContact O-N 3.32Å; E77-R81 VanDerWaalsContact O-N 3.13Å
78R89.4Confident88Confident152 Ų152111.9 Ų111.957%0.57454%0.537SS*.Hα-helixtrans-65.9-47.1174-81.5-177.8178.9-141.3-1.7111.1Q74 E75 R80 R81 D82Q74-R78 WeakPolarHBondContact O-CB 3.37Å; Q74-R78 WeakPolarHBondContact O-CG 3.38Å; Q74-R78 PolarHBondContact O-N 3.45Å; E75-R78 WeakPolarHBondContact O-CB 3.36Å; E75-R78 PolarHBondContact O-N 3.46Å; E75-R78 VanDerWaalsContact O-N 3.14Å; R78-R80 VanDerWaalsContact C-N 3.27Å; R78-R80 PolarHBondContact O-N 3.3Å; R78-R81 PolarHBondContact O-N 3.03Å; R78-D82 WeakPolarHBondContact O-CB 3.22Å; R78-D82 PolarHBondContact O-N 3.39Å
79E88.6Confident87.8Confident123 Ų123111.1 Ų111.158%0.57552%0.522SS*.Hα-helixtrans-58.8-40.4177.8-73.5179.3179.600111.7E75 R81 N83E75-E79 WeakPolarHBondContact O-CG 3.27Å; E75-E79 PolarHBondContact O-N 3.33Å; E79-R81 PolarHBondContact O-N 3.33Å; E79-N83 WeakPolarHBondContact O-CB 3.43Å; E79-N83 VanDerWaalsContact O-CG 3.22Å; E79-N83 PolarHBondContact O-N 2.87Å; E79-N83 PolarHBondContact O-ND2 2.99Å
80R91.1Very high87.3Confident171 Ų171116.2 Ų116.265%0.64555%0.548SS*.Hα-helixtrans-64.7-36.6174.6-92.7-173.9-87.6146.2-6.3113.6E76 R78 Y84E76-R80 PolarHBondContact O-N 3.22Å; E76-R80 VanDerWaalsContact O-N 3.15Å; R78-R80 VanDerWaalsContact C-N 3.27Å; R78-R80 PolarHBondContact O-N 3.3Å; R80-Y84 PolarHBondContact O-N 3.48Å
81R90.5Very high86.5Confident211 Ų211121.9 Ų121.980%0.79657%0.566SS**Hα-helixtrans-73.1-43.2176.4-84.4-172.1174.6-151.6-0.8112.3E77 R78 E79 N83 Y84E77-R81 PolarHBondContact O-N 3.32Å; E77-R81 VanDerWaalsContact O-N 3.13Å; R78-R81 PolarHBondContact O-N 3.03Å; E79-R81 PolarHBondContact O-N 3.33Å; R81-N83 VanDerWaalsContact C-N 3.34Å; R81-Y84 WeakPolarHBondContact O-CB 3.49Å; R81-Y84 PolarHBondContact O-N 2.98Å
82D90.1Very high85.8Confident131 Ų131126.9 Ų126.970%0.70159%0.593SS**Hα-helixtrans-70.6-33.8-177.1-68.4-14.7000111R78 Y84R78-D82 WeakPolarHBondContact O-CB 3.22Å; R78-D82 PolarHBondContact O-N 3.39Å; D82-Y84 VanDerWaalsContact C-N 3.28Å; D82-Y84 PolarHBondContact O-N 3.36Å
83N90.8Very high85.1Confident132 Ų132123.7 Ų123.771%0.70659%0.59SS**THydrogen-bonded Turntrans-82.3-0.3175.2-67.2-18.4000113.9E79 R81 Q85E79-N83 WeakPolarHBondContact O-CB 3.43Å; E79-N83 VanDerWaalsContact O-CG 3.22Å; E79-N83 PolarHBondContact O-N 2.87Å; E79-N83 PolarHBondContact O-ND2 2.99Å; R81-N83 VanDerWaalsContact C-N 3.34Å; N83-Q85 PolarHBondContact O-N 3.04Å
84Y89.7Confident84.3Confident174 Ų174124.2 Ų124.268%0.68259%0.592SS**  trans-70.5106.7178177.8-101.7000109.9R80 R81 D82R80-Y84 PolarHBondContact O-N 3.48Å; R81-Y84 WeakPolarHBondContact O-CB 3.49Å; R81-Y84 PolarHBondContact O-N 2.98Å; D82-Y84 VanDerWaalsContact C-N 3.28Å; D82-Y84 PolarHBondContact O-N 3.36Å
85Q84.9Confident83.6Confident159 Ų159124.4 Ų124.474%0.74360%0.6SS**  trans-95.9123172.1-173.3171.115.600109.5N83N83-Q85 PolarHBondContact O-N 3.04Å
86P88.5Confident82.9Confident59 Ų59125 Ų12538%0.38361%0.605SS.*  trans-67.915217229.2-33.9000110.8V88P86-V88 VanDerWaalsContact C-N 3.25Å; P86-V88 PolarHBondContact O-N 3.26Å
87E87.4Confident82.3Confident204 Ų204126.7 Ų126.795%0.95361%0.614SS**SBendtrans-62.6-32.7179.4-62.9-176.4170.500112.9
88V84.9Confident81.8Confident96 Ų96122.8 Ų122.858%0.58260%0.596SS**SBendtrans-116.7123.7177.8-174.70000108.8P86P86-V88 VanDerWaalsContact C-N 3.25Å; P86-V88 PolarHBondContact O-N 3.26Å
89S82.9Confident81.5Confident48 Ų48120.8 Ų120.834%0.33660%0.597SS.*  trans-65.9134.9174-64.60000109.8F91 D92S89-F91 PolarHBondContact O-N 3.1Å; S89-F91 VanDerWaalsContact O-N 3.14Å; S89-D92 PolarHBondContact O-N 2.86Å
90I80.2Confident81.2Confident118 Ų118118.1 Ų118.161%0.60559%0.59SS**Hα-helixtrans-55.1-37.3177-59.9169.9000110.2D92 S93 M94I90-D92 VanDerWaalsContact C-N 3.28Å; I90-D92 PolarHBondContact O-N 3.49Å; I90-S93 PolarHBondContact O-N 3.38Å; I90-S93 PolarHBondContact O-OG 3.14Å; I90-M94 HydrophobicContact CG2-SD 4.27Å; I90-M94 VanDerWaalsContact O-CB 3.31Å; I90-M94 WeakPolarHBondContact O-CB 3.38Å; I90-M94 PolarHBondContact O-N 2.86Å
91F72.9Confident81Confident171 Ų171115.3 Ų115.375%0.7559%0.591SS**Hα-helixtrans-58-31.7176.8-65.4-75.6000114.7S89 S93S89-F91 PolarHBondContact O-N 3.1Å; S89-F91 VanDerWaalsContact O-N 3.14Å; F91-S93 VanDerWaalsContact C-N 3.33Å
92D74.2Confident80.5Confident112 Ų112107.1 Ų107.160%0.59957%0.569SS**Hα-helixtrans-78.2-23178.3-74.5-34.7000112.3S89 I90 N116S89-D92 PolarHBondContact O-N 2.86Å; I90-D92 VanDerWaalsContact C-N 3.28Å; I90-D92 PolarHBondContact O-N 3.49Å; D92-N116 PolarHBondContact O-ND2 3.17Å
93S71.5Confident80Confident88 Ų88103 Ų10362%0.61555%0.546SS*.Hα-helixtrans-95.5-21.7178.363.60000113.6I90 F91I90-S93 PolarHBondContact O-N 3.38Å; I90-S93 PolarHBondContact O-OG 3.14Å; F91-S93 VanDerWaalsContact C-N 3.33Å
94M67.8Low79.6Confident116 Ų116103 Ų10357%0.57154%0.542SS*.SBendtrans-84.2121.6-174-156.1165.6-17900109.6I90 L96I90-M94 HydrophobicContact CG2-SD 4.27Å; I90-M94 VanDerWaalsContact O-CB 3.31Å; I90-M94 WeakPolarHBondContact O-CB 3.38Å; I90-M94 PolarHBondContact O-N 2.86Å; M94-L96 PolarHBondContact O-N 2.91Å
95A70.9Confident79.3Confident46 Ų4699.7 Ų99.738%0.3853%0.533SS..  trans-70.2119.6170.100000108.4E97 N116A95-E97 PolarHBondContact O-N 3Å; A95-N116 CarbonylContact C-O 3.55Å; A95-N116 WeakPolarHBondContact CA-O 3.12Å
96L71.1Confident79.1Confident100 Ų10094.7 Ų94.752%0.52451%0.511SS..EExtended strand (participates in β ladder)trans-83.1114.8176.5-80.8161.4000108.5M94 I98 N116 I117 R118M94-L96 PolarHBondContact O-N 2.91Å; L96-I98 HydrophobicContact CB-CG1 4.34Å; L96-N116 PolarHBondContact N-O 3.06Å; L96-I117 CarbonylContact O-C 3.58Å; L96-I117 WeakPolarHBondContact O-CA 3.29Å; L96-R118 PolarHBondContact O-N 3.22Å
97E74.1Confident78.6Confident140 Ų14097.4 Ų97.465%0.65452%0.519SS*.EExtended strand (participates in β ladder)trans-80.4116.5170.1-84.4177.5-166.500108.9A95 R118 V120A95-E97 PolarHBondContact O-N 3Å; E97-R118 VanDerWaalsContact CA-O 3.29Å; E97-R118 WeakPolarHBondContact CA-O 3.33Å; E97-R118 HydrophobicContact CG-CB 4.38Å; E97-V120 HydrophobicContact CB-CG2 3.52Å; E97-V120 HydrophobicContact CG-CG2 3.87Å
98I77.3Confident78.5Confident27 Ų2792.2 Ų92.214%0.13851%0.506CS..EExtended strand (participates in β ladder)trans-117.5133.6-174.3-60.5-171.2000109.8L96 A102 L106 I117 R118L96-I98 HydrophobicContact CB-CG1 4.34Å; I98-A102 HydrophobicContact CG2-CB 3.54Å; I98-L106 HydrophobicContact CD1-CD1 3.9Å; I98-I117 HydrophobicContact CB-CG2 3.91Å; I98-I117 HydrophobicContact CD1-CB 4.19Å; I98-I117 HydrophobicContact CD1-CD1 3.58Å; I98-I117 HydrophobicContact CD1-CG1 3.6Å; I98-I117 HydrophobicContact CD1-CG2 3.53Å; I98-I117 HydrophobicContact CG1-CG1 4.46Å; I98-I117 HydrophobicContact CG1-CG2 3.73Å; I98-R118 PolarHBondContact N-O 3.24Å
99D81.4Confident78.4Confident111 Ų11193.5 Ų93.559%0.59451%0.506SS*.  trans-66.1149.1173.8-104-23.5000112V101 A102 Q103D99-V101 VanDerWaalsContact C-N 3.27Å; D99-V101 PolarHBondContact O-N 3.13Å; D99-V101 VanDerWaalsContact O-N 3.16Å; D99-A102 WeakPolarHBondContact O-CB 3.35Å; D99-A102 PolarHBondContact O-N 3.37Å; D99-Q103 PolarHBondContact O-N 3.42Å
100P82.6Confident78.1Confident66 Ų6698.5 Ų98.543%0.42953%0.53SS..Hα-helixtrans-55.3-39.2-177-8.88.4000113.5A102 Q103 E104P100-A102 PolarHBondContact O-N 2.67Å; P100-Q103 WeakPolarHBondContact O-CB 3.27Å; P100-Q103 PolarHBondContact O-N 2.95Å; P100-E104 PolarHBondContact O-N 3.36Å
101V86.5Confident77.8Confident112 Ų11297 Ų9768%0.67953%0.525SS*.Hα-helixtrans-65.8-38.3178.4-178.90000111.6D99 Q103 E104 M105D99-V101 VanDerWaalsContact C-N 3.27Å; D99-V101 PolarHBondContact O-N 3.13Å; D99-V101 VanDerWaalsContact O-N 3.16Å; V101-Q103 VanDerWaalsContact C-N 3.3Å; V101-E104 PolarHBondContact O-N 3.04Å; V101-M105 PolarHBondContact O-N 3.41Å
102A80.6Confident77.1Confident40 Ų4093.2 Ų93.233%0.33153%0.526SS..Hα-helixtrans-71.4-28.9177.100000111.4I98 D99 P100 M105 L106I98-A102 HydrophobicContact CG2-CB 3.54Å; D99-A102 WeakPolarHBondContact O-CB 3.35Å; D99-A102 PolarHBondContact O-N 3.37Å; P100-A102 PolarHBondContact O-N 2.67Å; A102-M105 PolarHBondContact O-N 3.44Å; A102-L106 WeakPolarHBondContact O-CG 3.39Å; A102-L106 PolarHBondContact O-N 2.99Å
103Q79.9Confident76.3Confident45 Ų4595 Ų9521%0.2153%0.531CS..Hα-helixtrans-68.6-42.4171.9-165-177.321.200112D99 P100 V101 M105 L106 Q107 L119D99-Q103 PolarHBondContact O-N 3.42Å; P100-Q103 WeakPolarHBondContact O-CB 3.27Å; P100-Q103 PolarHBondContact O-N 2.95Å; V101-Q103 VanDerWaalsContact C-N 3.3Å; Q103-M105 VanDerWaalsContact C-N 3.31Å; Q103-M105 PolarHBondContact O-N 3.48Å; Q103-L106 PolarHBondContact O-N 2.84Å; Q103-Q107 WeakPolarHBondContact O-CG 3.46Å; Q103-Q107 PolarHBondContact O-N 3.01Å; Q103-L119 VanDerWaalsContact OE1-CD1 3.28Å; Q103-L119 VanDerWaalsContact OE1-CD2 3.28Å
104E82.4Confident75.7Confident132 Ų13293.7 Ų93.762%0.61753%0.525SS*.Hα-helixtrans-61.4-40.6173.5-71.7-177.6170.300111.6P100 V101 L106 Q107 S108P100-E104 PolarHBondContact O-N 3.36Å; V101-E104 PolarHBondContact O-N 3.04Å; E104-L106 PolarHBondContact O-N 3.2Å; E104-Q107 PolarHBondContact O-N 2.97Å; E104-S108 PolarHBondContact O-N 2.96Å
105M82.6Confident75.4Confident103 Ų10398.2 Ų98.251%0.50754%0.542SS..Hα-helixtrans-58.2-47.8173.6-172-173.8110.700111.4V101 A102 Q103 Q107 S108 M109V101-M105 PolarHBondContact O-N 3.41Å; A102-M105 PolarHBondContact O-N 3.44Å; Q103-M105 VanDerWaalsContact C-N 3.31Å; Q103-M105 PolarHBondContact O-N 3.48Å; M105-Q107 VanDerWaalsContact C-N 3.33Å; M105-Q107 PolarHBondContact O-N 2.92Å; M105-S108 PolarHBondContact O-N 3.32Å; M105-S108 PolarHBondContact O-OG 3.41Å; M105-M109 HydrophobicContact CE-CE 4.21Å; M105-M109 HydrophobicContact CE-SD 4.01Å; M105-M109 PolarHBondContact O-N 2.97Å
106L80.6Confident75Confident54 Ų5499.3 Ų99.328%0.28354%0.541SS..Hα-helixtrans-62.8-38.2178.4-75.6168.5000112.6I98 A102 Q103 E104 M109 N110 V111 I117I98-L106 HydrophobicContact CD1-CD1 3.9Å; A102-L106 WeakPolarHBondContact O-CG 3.39Å; A102-L106 PolarHBondContact O-N 2.99Å; Q103-L106 PolarHBondContact O-N 2.84Å; E104-L106 PolarHBondContact O-N 3.2Å; L106-M109 PolarHBondContact O-N 3.09Å; L106-N110 PolarHBondContact O-N 3.04Å; L106-V111 HydrophobicContact CD2-CB 4.38Å; L106-V111 HydrophobicContact CD2-CG2 4.1Å; L106-V111 PolarHBondContact O-N 3.12Å; L106-I117 HydrophobicContact CD1-CD1 4.27Å
107Q79.8Confident74.7Confident116 Ų11697.1 Ų97.154%0.54253%0.529SS..Hα-helixtrans-64.1-42.3174.1-72.117716.200111.4Q103 E104 M105 M109 N110Q103-Q107 WeakPolarHBondContact O-CG 3.46Å; Q103-Q107 PolarHBondContact O-N 3.01Å; E104-Q107 PolarHBondContact O-N 2.97Å; M105-Q107 VanDerWaalsContact C-N 3.33Å; M105-Q107 PolarHBondContact O-N 2.92Å; Q107-M109 VanDerWaalsContact C-N 3.28Å; Q107-M109 PolarHBondContact O-N 3.41Å; Q107-N110 PolarHBondContact O-N 3.42Å; Q107-N110 VanDerWaalsContact O-N 3.12Å
108S84Confident74.1Confident96 Ų9698.5 Ų98.567%0.67153%0.529SS*.Hα-helixtrans-65-32.2178.1780000113.1E104 M105 N110E104-S108 PolarHBondContact O-N 2.96Å; M105-S108 PolarHBondContact O-N 3.32Å; M105-S108 PolarHBondContact O-OG 3.41Å; S108-N110 PolarHBondContact O-N 3.11Å
109M83.3Confident73.3Confident122 Ų122101.8 Ų101.860%0.60155%0.546SS*.THydrogen-bonded Turntrans-81.90.6177.4-70.9-171.4165.900113.3M105 L106 Q107 V111M105-M109 HydrophobicContact CE-CE 4.21Å; M105-M109 HydrophobicContact CE-SD 4.01Å; M105-M109 PolarHBondContact O-N 2.97Å; L106-M109 PolarHBondContact O-N 3.09Å; Q107-M109 VanDerWaalsContact C-N 3.28Å; Q107-M109 PolarHBondContact O-N 3.41Å; M109-V111 HydrophobicContact CB-CG2 3.67Å; M109-V111 PolarHBondContact O-N 3.24Å
110N76Confident72.2Confident154 Ų154103 Ų10382%0.82456%0.557SS**THydrogen-bonded Turntrans58.129.8178.7-139.717.6000113.6L106 Q107 S108 A112L106-N110 PolarHBondContact O-N 3.04Å; Q107-N110 PolarHBondContact O-N 3.42Å; Q107-N110 VanDerWaalsContact O-N 3.12Å; S108-N110 PolarHBondContact O-N 3.11Å; N110-A112 PolarHBondContact O-N 3.24Å
111V73.6Confident71.6Confident85 Ų85104.8 Ų104.852%0.51556%0.563SS.*  trans-83112.7176.4-147.70000107.7L106 M109 H113L106-V111 HydrophobicContact CD2-CB 4.38Å; L106-V111 HydrophobicContact CD2-CG2 4.1Å; L106-V111 PolarHBondContact O-N 3.12Å; M109-V111 HydrophobicContact CB-CG2 3.67Å; M109-V111 PolarHBondContact O-N 3.24Å; V111-H113 PolarHBondContact O-N 3.25Å
112A58.2Low70.9Confident93 Ų93104.4 Ų104.477%0.76956%0.557SS**  trans-56.8138.7-17700000111.5N110 A114N110-A112 PolarHBondContact O-N 3.24Å; A112-A114 PolarHBondContact O-N 3.31Å
113H57.7Low70.3Confident149 Ų149108 Ų10869%0.6957%0.57SS**  trans-39.4107.3-178.5-86.7-23.7000112.6V111 K115V111-H113 PolarHBondContact O-N 3.25Å; H113-K115 PolarHBondContact O-N 3.49Å
114A58.8Low69.8Low61 Ų61111.7 Ų111.750%0.50459%0.591SS.*  trans-67.4131.3172.200000108.8A112 N116 I117A112-A114 PolarHBondContact O-N 3.31Å; A114-N116 PolarHBondContact O-N 3.45Å; A114-I117 HydrophobicContact CB-CD1 3.7Å; A114-I117 HydrophobicContact CB-CG1 4.13Å; A114-I117 PolarHBondContact O-N 2.89Å
115K61.7Low69Low211 Ų211110.4 Ų110.492%0.91759%0.589SS**THydrogen-bonded Turntrans-58.8-12.2-170-76.7179.1174.7177.10115.5H113H113-K115 PolarHBondContact O-N 3.49Å
116N62.6Low68.1Low69 Ų69110.9 Ų110.937%0.36960%0.595SS.*THydrogen-bonded Turntrans-118.719.8-170.1-66.9-12.5000114.3D92 A95 L96 A114D92-N116 PolarHBondContact O-ND2 3.17Å; A95-N116 CarbonylContact C-O 3.55Å; A95-N116 WeakPolarHBondContact CA-O 3.12Å; L96-N116 PolarHBondContact N-O 3.06Å; A114-N116 PolarHBondContact O-N 3.45Å
117I65.7Low67.2Low53 Ų53115 Ų11527%0.27262%0.617SS.*EExtended strand (participates in β ladder)trans-91.8127.7179.4-63169.2000110.3L96 I98 L106 A114L96-I117 CarbonylContact O-C 3.58Å; L96-I117 WeakPolarHBondContact O-CA 3.29Å; I98-I117 HydrophobicContact CB-CG2 3.91Å; I98-I117 HydrophobicContact CD1-CB 4.19Å; I98-I117 HydrophobicContact CD1-CD1 3.58Å; I98-I117 HydrophobicContact CD1-CG1 3.6Å; I98-I117 HydrophobicContact CD1-CG2 3.53Å; I98-I117 HydrophobicContact CG1-CG1 4.46Å; I98-I117 HydrophobicContact CG1-CG2 3.73Å; L106-I117 HydrophobicContact CD1-CD1 4.27Å; A114-I117 HydrophobicContact CB-CD1 3.7Å; A114-I117 HydrophobicContact CB-CG1 4.13Å; A114-I117 PolarHBondContact O-N 2.89Å
118R60.6Low66.2Low169 Ų169114.9 Ų114.964%0.63862%0.623SS**EExtended strand (participates in β ladder)trans-112.9139.8167.2-74.5-177176.1171.8-0.1109.5L96 E97 I98L96-R118 PolarHBondContact O-N 3.22Å; E97-R118 VanDerWaalsContact CA-O 3.29Å; E97-R118 WeakPolarHBondContact CA-O 3.33Å; E97-R118 HydrophobicContact CG-CB 4.38Å; I98-R118 PolarHBondContact N-O 3.24Å
119L60.4Low64.7Low97 Ų97116.5 Ų116.551%0.50862%0.619SS.*EExtended strand (participates in β ladder)trans-79136.7171.6-94.6160000109.3Q103Q103-L119 VanDerWaalsContact OE1-CD1 3.28Å; Q103-L119 VanDerWaalsContact OE1-CD2 3.28Å
120V57.8Low63Low135 Ų135116 Ų11682%0.81862%0.62SS**  trans-84.50165.7-175.90000109.6E97E97-V120 HydrophobicContact CB-CG2 3.52Å; E97-V120 HydrophobicContact CG-CG2 3.87Å

Retrieved 120 of 120 residues in 266.2 ms (Link to these results)

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