A0A077Z767_TRITR Loading...

Acyl carrier protein

Carrier of the growing fatty acid chain in fatty acid biosynthesis.

AlphaFold DB , UniProt , Accession A0A077Z767, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 97 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
1M41.9Very low51Low233 Ų233143.1 Ų143.1100%1.14878%0.783SS**  0118.90-65.1-176175.300107.3K3M1-K3 PolarHBondContact O-N 3.49Å
2P44.2Very low52.2Low130 Ų130141.8 Ų141.884%0.84476%0.764SS**  trans-67.1128.8172.429.5-29000107.4A4P2-A4 PolarHBondContact O-N 3.44Å
3K44.7Very low53.8Low208 Ų208139.5 Ų139.590%0.90476%0.762SS**  trans-61.6122.7176.5-74.5179.5175.8175.60107.5M1 G5M1-K3 PolarHBondContact O-N 3.49Å; K3-G5 VanDerWaalsContact C-N 3.35Å; K3-G5 PolarHBondContact O-N 3.37Å
4A49.2Very low55.5Low106 Ų106137.7 Ų137.788%0.87676%0.76SS**  trans-61.397.3173.600000108.9P2P2-A4 PolarHBondContact O-N 3.44Å
5G49Very low57.5Low62 Ų62130.3 Ų130.364%0.63972%0.716SS**  trans-63.8133.9170.400000109.4K3 V7K3-G5 VanDerWaalsContact C-N 3.35Å; K3-G5 PolarHBondContact O-N 3.37Å; G5-V7 PolarHBondContact O-N 3.15Å; G5-V7 VanDerWaalsContact O-N 3.14Å
6R49.7Very low59.6Low205 Ų205126.4 Ų126.477%0.77470%0.698SS**  trans-59.7112.4179.6-163.3167.1-175.6-177.16.9109.2F8R6-F8 HydrophobicContact CB-CD2 4.18Å; R6-F8 HydrophobicContact CB-CE2 3.8Å; R6-F8 HydrophobicContact CB-CZ 4.5Å; R6-F8 VanDerWaalsContact CD-CE2 3.47Å; R6-F8 HydrophobicContact CG-CD2 4.06Å; R6-F8 HydrophobicContact CG-CE1 4.46Å; R6-F8 HydrophobicContact CG-CE2 3.56Å; R6-F8 HydrophobicContact CG-CZ 3.8Å; R6-F8 WeakPolarHBondContact O-CD2 3.28Å; R6-F8 PolarHBondContact O-N 3.38Å; R6-F8 VanDerWaalsContact O-N 3.16Å
7V50.6Low61.4Low105 Ų105122.6 Ų122.664%0.63668%0.675SS**  trans-75.7102.3175.9-173.10000108.2G5 F9G5-V7 PolarHBondContact O-N 3.15Å; G5-V7 VanDerWaalsContact O-N 3.14Å; V7-F9 HydrophobicContact CB-CE2 4.32Å; V7-F9 HydrophobicContact CB-CZ 4.31Å; V7-F9 HydrophobicContact CG1-CD1 4.28Å; V7-F9 HydrophobicContact CG1-CD2 4.42Å; V7-F9 HydrophobicContact CG1-CE1 3.82Å; V7-F9 HydrophobicContact CG1-CE2 3.97Å; V7-F9 HydrophobicContact CG1-CZ 3.65Å
8F49.8Very low63.1Low119 Ų119123.9 Ų123.952%0.52267%0.672SS.*  trans-91108.3172-73.4-83.8000109.5R6 G10 H11R6-F8 HydrophobicContact CB-CD2 4.18Å; R6-F8 HydrophobicContact CB-CE2 3.8Å; R6-F8 HydrophobicContact CB-CZ 4.5Å; R6-F8 VanDerWaalsContact CD-CE2 3.47Å; R6-F8 HydrophobicContact CG-CD2 4.06Å; R6-F8 HydrophobicContact CG-CE1 4.46Å; R6-F8 HydrophobicContact CG-CE2 3.56Å; R6-F8 HydrophobicContact CG-CZ 3.8Å; R6-F8 WeakPolarHBondContact O-CD2 3.28Å; R6-F8 PolarHBondContact O-N 3.38Å; R6-F8 VanDerWaalsContact O-N 3.16Å; F8-G10 PolarHBondContact O-N 3.15Å; F8-G10 VanDerWaalsContact O-N 3.12Å; F8-H11 HydrophobicContact CB-CB 4.4Å; F8-H11 PolarHBondContact O-N 3.12Å
9F58.9Low64.7Low201 Ų201120.3 Ų120.388%0.88266%0.655SS**THydrogen-bonded Turntrans-73.24.4-179.2-62.8-83.4000114.8V7V7-F9 HydrophobicContact CB-CE2 4.32Å; V7-F9 HydrophobicContact CB-CZ 4.31Å; V7-F9 HydrophobicContact CG1-CD1 4.28Å; V7-F9 HydrophobicContact CG1-CD2 4.42Å; V7-F9 HydrophobicContact CG1-CE1 3.82Å; V7-F9 HydrophobicContact CG1-CE2 3.97Å; V7-F9 HydrophobicContact CG1-CZ 3.65Å
10G61.6Low66.1Low78 Ų78114.3 Ų114.380%0.80462%0.622SS**THydrogen-bonded Turntrans-124.419.1176.900000113.6F8F8-G10 PolarHBondContact O-N 3.15Å; F8-G10 VanDerWaalsContact O-N 3.12Å
11H61.8Low67.5Low127 Ų127114.4 Ų114.459%0.58861%0.613SS**PPolyproline II helixtrans-68.3146.1-179.1-153.7-91.8000110.9F8F8-H11 HydrophobicContact CB-CB 4.4Å; F8-H11 PolarHBondContact O-N 3.12Å
12K65.2Low70Confident128 Ų128107 Ų10756%0.55758%0.579SS**PPolyproline II helixtrans-50145.6167.3-67.5178-177.1175.60108.4
13P73Confident72.4Confident112 Ų112103.7 Ų103.773%0.72755%0.549SS*.PPolyproline II helixtrans-48.5141.2179.120.9-33.1000109.9Y15P13-Y15 PolarHBondContact O-N 3.22Å
14P77.5Confident74.8Confident114 Ų11493.8 Ų93.874%0.7451%0.506SS*.PPolyproline II helixtrans-56.2139.1-175.324.9-34.2000109.5
15Y85.7Confident77Confident27 Ų2790 Ų9011%0.10647%0.471CS..PPolyproline II helixtrans-63.9141.8172.5-71.9-70.2000109.8P13 V20 R23 F67 E93 V95P13-Y15 PolarHBondContact O-N 3.22Å; Y15-V20 HydrophobicContact CD1-CG2 3.97Å; Y15-V20 HydrophobicContact CG-CG2 4.05Å; Y15-R23 PolarHBondContact OH-NH1 3.36Å; Y15-F67 HydrophobicContact CD1-CE1 4.5Å; Y15-F67 AromaticContact CE1-CD1 3.97Å; Y15-F67 HydrophobicContact CE1-CD1 3.97Å; Y15-F67 AromaticContact CE1-CE1 3.89Å; Y15-F67 HydrophobicContact CE1-CE1 3.89Å; Y15-F67 HydrophobicContact CE2-CD1 4.43Å; Y15-F67 AromaticContact CZ-CD1 3.77Å; Y15-E93 HydrophobicContact CD2-CB 3.92Å; Y15-E93 HydrophobicContact CD2-CG 3.56Å; Y15-E93 WeakPolarHBondContact CD2-OE2 3.42Å; Y15-E93 HydrophobicContact CE2-CG 3.84Å; Y15-E93 WeakPolarHBondContact CE2-OE2 3.4Å; Y15-E93 HydrophobicContact CG-CG 4.45Å; Y15-V95 WeakPolarHBondContact O-CG2 3.42Å
16T90.3Very high79.2Confident68 Ų6891.3 Ų91.342%0.41746%0.463SS..  trans-114.4157.1167.4630000106.7K18 T19 V20T16-K18 PolarHBondContact O-N 2.87Å; T16-T19 PolarHBondContact N-OG1 2.97Å; T16-T19 PolarHBondContact O-N 3.46Å; T16-T19 PolarHBondContact O-OG1 3.32Å; T16-T19 VanDerWaalsContact O-OG1 3.1Å; T16-T19 WeakPolarHBondContact OG1-CG2 3.43Å; T16-T19 PolarHBondContact OG1-N 3.32Å; T16-T19 VanDerWaalsContact OG1-N 3.08Å; T16-T19 PolarHBondContact OG1-OG1 3.46Å; T16-T19 VanDerWaalsContact OG1-OG1 3.1Å; T16-V20 PolarHBondContact O-N 2.82Å
17M90.3Very high81.3Confident62 Ų6282.8 Ų82.831%0.30543%0.433SS..Hα-helixtrans-50.5-38175.5-68.7-58.8-69.600111.7R21 C90 V95 E97M17-R21 VanDerWaalsContact O-CB 3.24Å; M17-R21 WeakPolarHBondContact O-CB 3.4Å; M17-R21 PolarHBondContact O-N 2.65Å; M17-C90 HydrophobicContact CE-CB 4.31Å; M17-C90 HydrophobicContact SD-CB 3.75Å; M17-C90 PolarHBondContact SD-SG 2.94Å; M17-V95 HydrophobicContact CG-CG1 3.95Å; M17-V95 HydrophobicContact SD-CB 4.41Å; M17-V95 HydrophobicContact SD-CG1 3.74Å; M17-E97 HydrophobicContact CG-CG 4.25Å
18K92.6Very high83.4Confident146 Ų14677.9 Ų77.964%0.63540%0.404SS*.Hα-helixtrans-64.6-51175.6-175.3-179.7176.8-173.90112.2T16 V20 R21 D22T16-K18 PolarHBondContact O-N 2.87Å; K18-V20 VanDerWaalsContact C-N 3.34Å; K18-V20 PolarHBondContact O-N 3.09Å; K18-R21 PolarHBondContact O-N 3.18Å; K18-D22 WeakPolarHBondContact CG-OD2 3.42Å; K18-D22 WeakPolarHBondContact O-CB 2.96Å; K18-D22 PolarHBondContact O-N 3.18Å
19T92.4Very high85.5Confident54 Ų5476.8 Ų76.833%0.33140%0.4SS..Hα-helixtrans-67.7-34.1-177.554.80000112.5T16 R23T16-T19 PolarHBondContact N-OG1 2.97Å; T16-T19 PolarHBondContact O-N 3.46Å; T16-T19 PolarHBondContact O-OG1 3.32Å; T16-T19 VanDerWaalsContact O-OG1 3.1Å; T16-T19 WeakPolarHBondContact OG1-CG2 3.43Å; T16-T19 PolarHBondContact OG1-N 3.32Å; T16-T19 VanDerWaalsContact OG1-N 3.08Å; T16-T19 PolarHBondContact OG1-OG1 3.46Å; T16-T19 VanDerWaalsContact OG1-OG1 3.1Å; T19-R23 WeakPolarHBondContact O-CB 3.46Å; T19-R23 VanDerWaalsContact O-CG 3.24Å; T19-R23 WeakPolarHBondContact O-CG 3.37Å; T19-R23 PolarHBondContact O-N 3.09Å
20V94Very high87.1Confident0 Ų073.6 Ų73.60%039%0.392CS..Hα-helixtrans-62.7-51.2171.7175.60000110.2Y15 T16 K18 D22 R23 V24 F67 V86 V89Y15-V20 HydrophobicContact CD1-CG2 3.97Å; Y15-V20 HydrophobicContact CG-CG2 4.05Å; T16-V20 PolarHBondContact O-N 2.82Å; K18-V20 VanDerWaalsContact C-N 3.34Å; K18-V20 PolarHBondContact O-N 3.09Å; V20-D22 VanDerWaalsContact C-N 3.34Å; V20-D22 PolarHBondContact O-N 3.32Å; V20-R23 PolarHBondContact O-N 2.78Å; V20-V24 HydrophobicContact CG1-CG2 4.21Å; V20-V24 WeakPolarHBondContact O-CG2 3.38Å; V20-V24 PolarHBondContact O-N 2.94Å; V20-F67 HydrophobicContact CG1-CE1 4.45Å; V20-F67 HydrophobicContact CG1-CZ 4.32Å; V20-V86 HydrophobicContact CG1-CB 4.47Å; V20-V86 HydrophobicContact CG1-CG1 4.12Å; V20-V89 HydrophobicContact CB-CG1 4.4Å; V20-V89 HydrophobicContact CG1-CB 3.66Å; V20-V89 HydrophobicContact CG1-CG1 3.49Å; V20-V89 VanDerWaalsContact CG1-CG1 3.49Å; V20-V89 HydrophobicContact CG1-CG2 4.44Å; V20-V89 HydrophobicContact CG2-CG1 4.01Å
21R94.4Very high88.6Confident117 Ų11771.3 Ų71.344%0.44236%0.359SS..Hα-helixtrans-55-49.4178.1175.8-179.9177.9149.42.7112M17 K18 R23 V24 L25 L41 V86M17-R21 VanDerWaalsContact O-CB 3.24Å; M17-R21 WeakPolarHBondContact O-CB 3.4Å; M17-R21 PolarHBondContact O-N 2.65Å; K18-R21 PolarHBondContact O-N 3.18Å; R21-R23 VanDerWaalsContact C-N 3.32Å; R21-R23 PolarHBondContact O-N 3.14Å; R21-V24 PolarHBondContact O-N 2.93Å; R21-L25 HydrophobicContact CG-CD1 3.98Å; R21-L25 WeakPolarHBondContact O-CB 3.37Å; R21-L25 VanDerWaalsContact O-CG 3.31Å; R21-L25 WeakPolarHBondContact O-CG 3.41Å; R21-L25 PolarHBondContact O-N 3.2Å; R21-L41 HydrophobicContact CG-CD1 4.42Å; R21-L41 HydrophobicContact CG-CD2 4.3Å; R21-L41 VanDerWaalsContact NH1-CD1 3.3Å; R21-V86 HydrophobicContact CB-CG1 4.5Å; R21-V86 HydrophobicContact CB-CG2 4.38Å
22D94.7Very high90.1Very high79 Ų7971.9 Ų71.942%0.42237%0.366SS..Hα-helixtrans-63.8-39.6-177.3-67-14.4000110.9K18 V20 L26K18-D22 WeakPolarHBondContact CG-OD2 3.42Å; K18-D22 WeakPolarHBondContact O-CB 2.96Å; K18-D22 PolarHBondContact O-N 3.18Å; V20-D22 VanDerWaalsContact C-N 3.34Å; V20-D22 PolarHBondContact O-N 3.32Å; D22-L26 VanDerWaalsContact O-CB 3.3Å; D22-L26 WeakPolarHBondContact O-CB 3.45Å; D22-L26 PolarHBondContact O-N 2.94Å
23R94.3Very high91.4Very high60 Ų6070.8 Ų70.823%0.22636%0.361CS..Hα-helixtrans-70.2-44.7177.5-71.2-177.378.6-170.3-8.5113Y15 T19 V20 R21 L25 L26 V27 E66 F67Y15-R23 PolarHBondContact OH-NH1 3.36Å; T19-R23 WeakPolarHBondContact O-CB 3.46Å; T19-R23 VanDerWaalsContact O-CG 3.24Å; T19-R23 WeakPolarHBondContact O-CG 3.37Å; T19-R23 PolarHBondContact O-N 3.09Å; V20-R23 PolarHBondContact O-N 2.78Å; R21-R23 VanDerWaalsContact C-N 3.32Å; R21-R23 PolarHBondContact O-N 3.14Å; R23-L25 VanDerWaalsContact C-N 3.32Å; R23-L25 PolarHBondContact O-N 2.96Å; R23-L26 WeakPolarHBondContact O-CB 3.48Å; R23-L26 PolarHBondContact O-N 3.39Å; R23-V27 WeakPolarHBondContact O-CG2 3.43Å; R23-V27 PolarHBondContact O-N 3.48Å; R23-E66 IonicContact CZ-OE1 3.11Å; R23-E66 IonicContact CZ-OE2 3.9Å; R23-E66 IonicContact NE-OE1 2.66Å; R23-E66 PolarHBondContact NE-OE1 3.41Å; R23-E66 PolarHBondContact NH2-O 2.99Å; R23-E66 IonicContact NH2-OE1 2.83Å; R23-E66 PolarHBondContact NH2-OE1 3.13Å; R23-E66 IonicContact NH2-OE2 2.89Å; R23-E66 PolarHBondContact NH2-OE2 3.21Å; R23-F67 HydrophobicContact CB-CE1 4.29Å; R23-F67 HydrophobicContact CB-CZ 3.93Å
24V95.6Very high92.3Very high0 Ų065.8 Ų65.80%033%0.329CS..Hα-helixtrans-58.1-47.4175.21710000110.3V20 R21 L26 V27 L28 M63 F67 P82 I85 V86 V89V20-V24 HydrophobicContact CG1-CG2 4.21Å; V20-V24 WeakPolarHBondContact O-CG2 3.38Å; V20-V24 PolarHBondContact O-N 2.94Å; R21-V24 PolarHBondContact O-N 2.93Å; V24-L26 VanDerWaalsContact C-N 3.33Å; V24-L26 PolarHBondContact O-N 3.05Å; V24-V27 PolarHBondContact O-N 3.1Å; V24-L28 HydrophobicContact CG1-CD1 3.87Å; V24-L28 VanDerWaalsContact O-CG 3.3Å; V24-L28 WeakPolarHBondContact O-CG 3.17Å; V24-L28 PolarHBondContact O-N 3.22Å; V24-L28 VanDerWaalsContact O-N 3.11Å; V24-M63 HydrophobicContact CB-SD 4.44Å; V24-M63 HydrophobicContact CG1-CE 4.19Å; V24-M63 HydrophobicContact CG1-SD 4.25Å; V24-M63 HydrophobicContact CG2-SD 4.18Å; V24-F67 HydrophobicContact CG2-CE2 3.76Å; V24-F67 HydrophobicContact CG2-CZ 3.75Å; V24-P82 HydrophobicContact CG1-CB 4.46Å; V24-I85 HydrophobicContact CG1-CB 4.09Å; V24-I85 HydrophobicContact CG1-CG2 3.87Å; V24-I85 HydrophobicContact CG2-CG2 3.8Å; V24-V86 HydrophobicContact CB-CG2 3.87Å; V24-V86 HydrophobicContact CG1-CG2 4.02Å; V24-V86 HydrophobicContact CG2-CG2 3.86Å; V24-V89 HydrophobicContact CG2-CG2 4.49Å
25L95.4Very high92.9Very high27 Ų2764 Ų6414%0.14131%0.313CS..Hα-helixtrans-64.4-38.5178.4-71175.8000112R21 R23 L28 Q29 L39 L41 P82R21-L25 HydrophobicContact CG-CD1 3.98Å; R21-L25 WeakPolarHBondContact O-CB 3.37Å; R21-L25 VanDerWaalsContact O-CG 3.31Å; R21-L25 WeakPolarHBondContact O-CG 3.41Å; R21-L25 PolarHBondContact O-N 3.2Å; R23-L25 VanDerWaalsContact C-N 3.32Å; R23-L25 PolarHBondContact O-N 2.96Å; L25-L28 PolarHBondContact O-N 3.48Å; L25-Q29 WeakPolarHBondContact O-CB 3.41Å; L25-Q29 WeakPolarHBondContact O-CG 3.48Å; L25-Q29 PolarHBondContact O-N 3.45Å; L25-L39 HydrophobicContact CD2-CD2 3.96Å; L25-L39 HydrophobicContact CD2-CG 4.08Å; L25-L41 HydrophobicContact CD1-CD2 4.48Å; L25-L41 HydrophobicContact CD2-CD2 4.14Å; L25-L41 HydrophobicContact CG-CD2 4.4Å; L25-P82 HydrophobicContact CD2-CB 4.44Å
26L94.5Very high93.2Very high88 Ų8865.7 Ų65.746%0.46133%0.327SS..Hα-helixtrans-61.2-48.7177179.964.3000111.7D22 R23 V24 L28 Q29 L30D22-L26 VanDerWaalsContact O-CB 3.3Å; D22-L26 WeakPolarHBondContact O-CB 3.45Å; D22-L26 PolarHBondContact O-N 2.94Å; R23-L26 WeakPolarHBondContact O-CB 3.48Å; R23-L26 PolarHBondContact O-N 3.39Å; V24-L26 VanDerWaalsContact C-N 3.33Å; V24-L26 PolarHBondContact O-N 3.05Å; L26-L28 VanDerWaalsContact C-N 3.31Å; L26-L28 PolarHBondContact O-N 3.11Å; L26-Q29 PolarHBondContact O-N 3.39Å; L26-L30 HydrophobicContact CD1-CD1 4.42Å; L26-L30 HydrophobicContact CG-CD1 4.31Å; L26-L30 WeakPolarHBondContact O-CG 3.48Å; L26-L30 PolarHBondContact O-N 3.29Å; L26-L30 VanDerWaalsContact O-N 3.13Å
27V94.7Very high93.2Very high26 Ų2669.6 Ų69.616%0.15835%0.346CS..Hα-helixtrans-60-43.7178.3174.30000110.8R23 V24 Q29 L30 Y31 A62 M63 E66R23-V27 WeakPolarHBondContact O-CG2 3.43Å; R23-V27 PolarHBondContact O-N 3.48Å; V24-V27 PolarHBondContact O-N 3.1Å; V27-Q29 PolarHBondContact O-N 2.93Å; V27-L30 PolarHBondContact O-N 2.98Å; V27-Y31 PolarHBondContact O-N 2.88Å; V27-A62 HydrophobicContact CG1-CB 3.75Å; V27-M63 HydrophobicContact CB-CE 3.64Å; V27-M63 HydrophobicContact CB-SD 4.38Å; V27-M63 HydrophobicContact CG1-CE 3.5Å; V27-M63 HydrophobicContact CG1-SD 4.35Å; V27-E66 HydrophobicContact CG2-CB 3.97Å; V27-E66 HydrophobicContact CG2-CG 3.69Å
28L95.1Very high93.2Very high2 Ų272.9 Ų72.91%0.0136%0.358CS..Hα-helixtrans-66.6-34.1177.9-68.3170.8000113.1V24 L25 L26 L30 Y31 I34 L39 F45 V59 M63 P82V24-L28 HydrophobicContact CG1-CD1 3.87Å; V24-L28 VanDerWaalsContact O-CG 3.3Å; V24-L28 WeakPolarHBondContact O-CG 3.17Å; V24-L28 PolarHBondContact O-N 3.22Å; V24-L28 VanDerWaalsContact O-N 3.11Å; L25-L28 PolarHBondContact O-N 3.48Å; L26-L28 VanDerWaalsContact C-N 3.31Å; L26-L28 PolarHBondContact O-N 3.11Å; L28-L30 VanDerWaalsContact C-N 3.27Å; L28-L30 PolarHBondContact O-N 2.97Å; L28-Y31 PolarHBondContact O-N 3.29Å; L28-I34 HydrophobicContact CB-CD1 4.07Å; L28-I34 HydrophobicContact CD2-CD1 3.75Å; L28-I34 WeakPolarHBondContact O-CB 3.49Å; L28-I34 WeakPolarHBondContact O-CD1 3.33Å; L28-L39 HydrophobicContact CB-CD1 4.15Å; L28-L39 HydrophobicContact CB-CD2 3.73Å; L28-L39 HydrophobicContact CD1-CD1 4.11Å; L28-F45 HydrophobicContact CD1-CE1 4.08Å; L28-F45 HydrophobicContact CD1-CZ 4.21Å; L28-F45 HydrophobicContact CD2-CE1 3.74Å; L28-F45 HydrophobicContact CD2-CZ 4.1Å; L28-V59 HydrophobicContact CD2-CG1 3.49Å; L28-V59 VanDerWaalsContact CD2-CG1 3.49Å; L28-V59 HydrophobicContact CD2-CG2 4.18Å; L28-M63 HydrophobicContact CD1-CE 4.43Å; L28-M63 HydrophobicContact CD2-CE 3.92Å; L28-M63 HydrophobicContact CG-CE 3.72Å; L28-P82 HydrophobicContact CD1-CB 3.56Å; L28-P82 HydrophobicContact CD1-CG 3.6Å
29Q93.6Very high93.2Very high96 Ų9666.9 Ų66.945%0.44933%0.333SS..Hα-helixtrans-69.4-25.3175-75.1173.416.300113.1L25 L26 V27 Y31 P36 L39L25-Q29 WeakPolarHBondContact O-CB 3.41Å; L25-Q29 WeakPolarHBondContact O-CG 3.48Å; L25-Q29 PolarHBondContact O-N 3.45Å; L26-Q29 PolarHBondContact O-N 3.39Å; V27-Q29 PolarHBondContact O-N 2.93Å; Q29-Y31 VanDerWaalsContact C-N 3.34Å; Q29-P36 HydrophobicContact CG-CB 4.24Å; Q29-L39 HydrophobicContact CG-CD2 3.69Å
30L93.2Very high93.3Very high135 Ų13567.6 Ų67.671%0.70734%0.337SS*.Hα-helixtrans-83.9-11.6177.5-67.7173.2000112.8L26 V27 L28 D32L26-L30 HydrophobicContact CD1-CD1 4.42Å; L26-L30 HydrophobicContact CG-CD1 4.31Å; L26-L30 WeakPolarHBondContact O-CG 3.48Å; L26-L30 PolarHBondContact O-N 3.29Å; L26-L30 VanDerWaalsContact O-N 3.13Å; V27-L30 PolarHBondContact O-N 2.98Å; L28-L30 VanDerWaalsContact C-N 3.27Å; L28-L30 PolarHBondContact O-N 2.97Å; L30-D32 PolarHBondContact O-N 2.54Å
31Y93.3Very high93.4Very high30 Ų3069.9 Ų69.912%0.11835%0.349CS..SBendtrans-76120.5175.7-163.4-107.3000110V27 L28 Q29 K33 I34 L51 D55 E58 V59V27-Y31 PolarHBondContact O-N 2.88Å; L28-Y31 PolarHBondContact O-N 3.29Å; Q29-Y31 VanDerWaalsContact C-N 3.34Å; Y31-K33 HydrophobicContact CD1-CB 4Å; Y31-K33 HydrophobicContact CE1-CB 3.77Å; Y31-K33 HydrophobicContact CE1-CD 4.04Å; Y31-K33 HydrophobicContact CE1-CG 4.17Å; Y31-K33 PolarHBondContact O-N 2.6Å; Y31-K33 VanDerWaalsContact O-N 3.15Å; Y31-I34 HydrophobicContact CD1-CD1 4.09Å; Y31-I34 HydrophobicContact CD1-CG1 4.01Å; Y31-I34 HydrophobicContact CG-CD1 4.48Å; Y31-I34 PolarHBondContact O-N 2.94Å; Y31-L51 HydrophobicContact CD1-CD2 4.5Å; Y31-L51 HydrophobicContact CE1-CD2 4.14Å; Y31-D55 HydrophobicContact CE1-CB 4.28Å; Y31-D55 WeakPolarHBondContact OH-CA 3.43Å; Y31-D55 PolarHBondContact OH-OD1 3.22Å; Y31-E58 HydrophobicContact CE2-CB 4Å; Y31-E58 WeakPolarHBondContact CE2-OE2 3.47Å; Y31-E58 PolarHBondContact OH-OE2 3.5Å; Y31-V59 HydrophobicContact CD1-CG2 4.28Å; Y31-V59 HydrophobicContact CD2-CG2 4.45Å; Y31-V59 HydrophobicContact CE1-CG2 4.32Å; Y31-V59 HydrophobicContact CG-CG2 4.34Å
32D92.3Very high93.4Very high138 Ų13868.8 Ų68.874%0.73836%0.36SS*.THydrogen-bonded Turntrans-61.6-26.7-168.164.9-25.5000114.4L30L30-D32 PolarHBondContact O-N 2.54Å
33K91.7Very high93.4Very high105 Ų10565.1 Ų65.146%0.45734%0.34SS..THydrogen-bonded Turntrans-83.7-10.7177.6-62.2177.5179.5177.80114.2Y31 L51 D55Y31-K33 HydrophobicContact CD1-CB 4Å; Y31-K33 HydrophobicContact CE1-CB 3.77Å; Y31-K33 HydrophobicContact CE1-CD 4.04Å; Y31-K33 HydrophobicContact CE1-CG 4.17Å; Y31-K33 PolarHBondContact O-N 2.6Å; Y31-K33 VanDerWaalsContact O-N 3.15Å; K33-L51 HydrophobicContact CB-CD2 3.77Å; K33-D55 WeakPolarHBondContact CD-OD1 3.46Å; K33-D55 WeakPolarHBondContact CD-OD2 3.45Å; K33-D55 IonicContact NZ-OD1 2.54Å; K33-D55 PolarHBondContact NZ-OD1 3.4Å; K33-D55 IonicContact NZ-OD2 3.5Å; K33-D55 PolarHBondContact NZ-OD2 3.04Å
34I92.5Very high93.4Very high8 Ų864.5 Ų64.54%0.04134%0.34CS..SBendtrans-94.6125.7178.9-69.6172.2000109.6L28 Y31 P36 L39 L49 L51L28-I34 HydrophobicContact CB-CD1 4.07Å; L28-I34 HydrophobicContact CD2-CD1 3.75Å; L28-I34 WeakPolarHBondContact O-CB 3.49Å; L28-I34 WeakPolarHBondContact O-CD1 3.33Å; Y31-I34 HydrophobicContact CD1-CD1 4.09Å; Y31-I34 HydrophobicContact CD1-CG1 4.01Å; Y31-I34 HydrophobicContact CG-CD1 4.48Å; Y31-I34 PolarHBondContact O-N 2.94Å; I34-P36 WeakPolarHBondContact O-CD 3.39Å; I34-L39 HydrophobicContact CG2-CB 4.2Å; I34-L39 HydrophobicContact CG2-CD1 4.18Å; I34-L39 HydrophobicContact CG2-CD2 4.41Å; I34-L39 HydrophobicContact CG2-CG 4.49Å; I34-L49 HydrophobicContact CD1-CD1 4.38Å; I34-L49 HydrophobicContact CG1-CD1 4.3Å; I34-L49 HydrophobicContact CG2-CD1 4.41Å; I34-L51 HydrophobicContact CD1-CD1 4.03Å; I34-L51 HydrophobicContact CG1-CD1 4.06Å; I34-L51 HydrophobicContact CG1-CD2 4.24Å
35N90.8Very high93.3Very high75 Ų7564.5 Ų64.540%0.40134%0.34SS..  trans-80.9117.1167.3-177.4-14.5000109.6D37 K38 L39N35-D37 PolarHBondContact O-N 3.1Å; N35-D37 VanDerWaalsContact O-N 3.12Å; N35-D37 WeakPolarHBondContact OD1-CB 3.45Å; N35-D37 PolarHBondContact OD1-N 3.09Å; N35-K38 HydrophobicContact CB-CG 4.47Å; N35-K38 PolarHBondContact O-N 3.28Å; N35-L39 PolarHBondContact O-N 2.8Å
36P90.4Very high93.2Very high64 Ų6466.2 Ų66.242%0.41635%0.351SS..G310 helixtrans-54.8-31.3179.3-2736.4000114.1Q29 I34 K38 L39Q29-P36 HydrophobicContact CG-CB 4.24Å; I34-P36 WeakPolarHBondContact O-CD 3.39Å; P36-K38 PolarHBondContact O-N 3.09Å; P36-L39 PolarHBondContact O-N 3.28Å
37D91.1Very high93.1Very high150 Ų15067.9 Ų67.980%0.80236%0.361SS*.G310 helixtrans-69.5-23.1-178.9-64-32.8000113N35N35-D37 PolarHBondContact O-N 3.1Å; N35-D37 VanDerWaalsContact O-N 3.12Å; N35-D37 WeakPolarHBondContact OD1-CB 3.45Å; N35-D37 PolarHBondContact OD1-N 3.09Å
38K90.5Very high93.1Very high131 Ų13171 Ų7157%0.5738%0.376SS*.G310 helixtrans-95.7-12.4177-67.1-173.2175.5-175.90113N35 P36 T40 L49N35-K38 HydrophobicContact CB-CG 4.47Å; N35-K38 PolarHBondContact O-N 3.28Å; P36-K38 PolarHBondContact O-N 3.09Å; K38-T40 PolarHBondContact O-N 2.89Å; K38-L49 HydrophobicContact CB-CD2 3.87Å
39L93.7Very high93Very high20 Ų2071.9 Ų71.911%0.10538%0.381CS..  trans-74.9115.2-174.1-177.266.6000110.4L25 L28 Q29 I34 N35 P36 L49 P82L25-L39 HydrophobicContact CD2-CD2 3.96Å; L25-L39 HydrophobicContact CD2-CG 4.08Å; L28-L39 HydrophobicContact CB-CD1 4.15Å; L28-L39 HydrophobicContact CB-CD2 3.73Å; L28-L39 HydrophobicContact CD1-CD1 4.11Å; Q29-L39 HydrophobicContact CG-CD2 3.69Å; I34-L39 HydrophobicContact CG2-CB 4.2Å; I34-L39 HydrophobicContact CG2-CD1 4.18Å; I34-L39 HydrophobicContact CG2-CD2 4.41Å; I34-L39 HydrophobicContact CG2-CG 4.49Å; N35-L39 PolarHBondContact O-N 2.8Å; P36-L39 PolarHBondContact O-N 3.28Å; L39-L49 HydrophobicContact CD1-CD1 3.96Å; L39-P82 HydrophobicContact CD1-CG 3.79Å
40T94.2Very high93Very high69 Ų6970.3 Ų70.342%0.42339%0.39SS..  trans-131.4163174.265.40000109.4K38 S42 S43 P82K38-T40 PolarHBondContact O-N 2.89Å; T40-S42 PolarHBondContact O-N 2.87Å; T40-S42 VanDerWaalsContact O-N 3.09Å; T40-S42 PolarHBondContact OG1-OG 3.17Å; T40-S43 PolarHBondContact N-OG 3.34Å; T40-S43 VanDerWaalsContact N-OG 3.17Å; T40-S43 PolarHBondContact O-N 3.01Å; T40-S43 VanDerWaalsContact O-N 3.1Å; T40-S43 PolarHBondContact O-OG 3.02Å; T40-S43 PolarHBondContact OG1-N 3.48Å; T40-S43 VanDerWaalsContact OG1-N 3.09Å; T40-P82 WeakPolarHBondContact O-CG 3.47Å
41L94.3Very high93Very high48 Ų4864 Ų6425%0.25136%0.357SS..THydrogen-bonded Turntrans-60.9-22.4176.2-74.5-174000113.6R21 L25 P82 G83 V86R21-L41 HydrophobicContact CG-CD1 4.42Å; R21-L41 HydrophobicContact CG-CD2 4.3Å; R21-L41 VanDerWaalsContact NH1-CD1 3.3Å; L25-L41 HydrophobicContact CD1-CD2 4.48Å; L25-L41 HydrophobicContact CD2-CD2 4.14Å; L25-L41 HydrophobicContact CG-CD2 4.4Å; L41-P82 HydrophobicContact CD2-CB 4.19Å; L41-G83 WeakPolarHBondContact O-CA 3.39Å; L41-G83 PolarHBondContact O-N 3.31Å; L41-V86 HydrophobicContact CD2-CG2 4.25Å
42S95.3Very high93.1Very high94 Ų9466.2 Ų66.266%0.65737%0.371SS*.THydrogen-bonded Turntrans-99.2-3.1178.9500000113.9T40 H44T40-S42 PolarHBondContact O-N 2.87Å; T40-S42 VanDerWaalsContact O-N 3.09Å; T40-S42 PolarHBondContact OG1-OG 3.17Å; S42-H44 PolarHBondContact O-N 3.23Å
43S94.4Very high93Very high2 Ų263.8 Ų63.81%0.01437%0.365CS..  trans-69.4123.7-178.657.20000109.9T40 D48 P82T40-S43 PolarHBondContact N-OG 3.34Å; T40-S43 VanDerWaalsContact N-OG 3.17Å; T40-S43 PolarHBondContact O-N 3.01Å; T40-S43 VanDerWaalsContact O-N 3.1Å; T40-S43 PolarHBondContact O-OG 3.02Å; T40-S43 PolarHBondContact OG1-N 3.48Å; T40-S43 VanDerWaalsContact OG1-N 3.09Å; S43-D48 WeakPolarHBondContact CA-OD2 3.37Å; S43-P82 WeakPolarHBondContact O-CD 3.43Å
44H94.3Very high93.1Very high46 Ų4664.3 Ų64.321%0.21337%0.372CS..  trans-76.6129.2176.6-166.9-59.4000110.4S42 T46 N47 D48 L49 M80S42-H44 PolarHBondContact O-N 3.23Å; H44-T46 VanDerWaalsContact C-N 3.35Å; H44-T46 PolarHBondContact ND1-N 3.36Å; H44-T46 PolarHBondContact O-N 3.01Å; H44-N47 HydrophobicContact CB-CB 4.02Å; H44-N47 PolarHBondContact CD2-ND2 3.34Å; H44-N47 PolarHBondContact ND1-N 3.06Å; H44-N47 PolarHBondContact O-N 2.97Å; H44-D48 PolarHBondContact N-OD2 3.25Å; H44-D48 WeakPolarHBondContact O-CB 3.36Å; H44-D48 PolarHBondContact O-N 3.46Å; H44-L49 PolarHBondContact O-N 3.3Å; H44-M80 WeakPolarHBondContact CA-O 3.29Å
45F93.8Very high93.2Very high0 Ų064.3 Ų64.30%037%0.372CS..THydrogen-bonded Turntrans-54.7-49-176.7-67.5-49.3000112.3L28 L49 G50 L51 V59 L79 M80 P82 I85L28-F45 HydrophobicContact CD1-CE1 4.08Å; L28-F45 HydrophobicContact CD1-CZ 4.21Å; L28-F45 HydrophobicContact CD2-CE1 3.74Å; L28-F45 HydrophobicContact CD2-CZ 4.1Å; F45-L49 HydrophobicContact CD1-CD1 3.91Å; F45-L49 HydrophobicContact CE1-CD1 4.37Å; F45-L49 CarbonylContact O-C 3.47Å; F45-L49 WeakPolarHBondContact O-CB 3.47Å; F45-G50 PolarHBondContact O-N 3.25Å; F45-G50 VanDerWaalsContact O-N 3.09Å; F45-L51 HydrophobicContact CB-CB 4.36Å; F45-L51 HydrophobicContact CB-CD1 4.1Å; F45-L51 HydrophobicContact CD1-CD1 4Å; F45-L51 HydrophobicContact CG-CD1 4.36Å; F45-L51 WeakPolarHBondContact O-CB 3.4Å; F45-L51 PolarHBondContact O-N 3.12Å; F45-V59 HydrophobicContact CZ-CG1 4.42Å; F45-L79 WeakPolarHBondContact CD2-O 3.45Å; F45-M80 WeakPolarHBondContact CD2-O 3.24Å; F45-M80 PolarHBondContact N-O 2.84Å; F45-P82 HydrophobicContact CE1-CG 3.84Å; F45-P82 HydrophobicContact CZ-CG 3.94Å; F45-I85 HydrophobicContact CE2-CD1 3.75Å; F45-I85 HydrophobicContact CE2-CG1 4.35Å; F45-I85 HydrophobicContact CZ-CD1 3.55Å; F45-I85 HydrophobicContact CZ-CG1 4.42Å
46T92.9Very high93.2Very high63 Ų6361.9 Ų61.939%0.38736%0.358SS..THydrogen-bonded Turntrans-75.6-54.4176.1-42.70000113.6H44 G50 L51H44-T46 VanDerWaalsContact C-N 3.35Å; H44-T46 PolarHBondContact ND1-N 3.36Å; H44-T46 PolarHBondContact O-N 3.01Å; T46-G50 VanDerWaalsContact O-CA 3.28Å; T46-G50 WeakPolarHBondContact O-CA 3.41Å; T46-G50 PolarHBondContact O-N 3.15Å; T46-G50 VanDerWaalsContact O-N 3.15Å; T46-L51 WeakPolarHBondContact CA-O 3.35Å
47N93.5Very high93.4Very high123 Ų12362.7 Ų62.766%0.65836%0.362SS*.THydrogen-bonded Turntrans-75.2-34.8-167.6-58.9-35000113.9H44H44-N47 HydrophobicContact CB-CB 4.02Å; H44-N47 PolarHBondContact CD2-ND2 3.34Å; H44-N47 PolarHBondContact ND1-N 3.06Å; H44-N47 PolarHBondContact O-N 2.97Å
48D93.7Very high93.5Very high91 Ų9159.8 Ų59.849%0.48734%0.344SS..THydrogen-bonded Turntrans-103.7-37-174.5-61.9-43.8000112.6S43 H44S43-D48 WeakPolarHBondContact CA-OD2 3.37Å; H44-D48 PolarHBondContact N-OD2 3.25Å; H44-D48 WeakPolarHBondContact O-CB 3.36Å; H44-D48 PolarHBondContact O-N 3.46Å
49L93.6Very high93.7Very high22 Ų2253.7 Ų53.712%0.11532%0.318CS..THydrogen-bonded Turntrans-97.9-15.2-177.2-56.6175.9000113I34 K38 L39 H44 F45 L51I34-L49 HydrophobicContact CD1-CD1 4.38Å; I34-L49 HydrophobicContact CG1-CD1 4.3Å; I34-L49 HydrophobicContact CG2-CD1 4.41Å; K38-L49 HydrophobicContact CB-CD2 3.87Å; L39-L49 HydrophobicContact CD1-CD1 3.96Å; H44-L49 PolarHBondContact O-N 3.3Å; F45-L49 HydrophobicContact CD1-CD1 3.91Å; F45-L49 HydrophobicContact CE1-CD1 4.37Å; F45-L49 CarbonylContact O-C 3.47Å; F45-L49 WeakPolarHBondContact O-CB 3.47Å; L49-L51 HydrophobicContact CB-CG 4.25Å
50G92.8Very high93.7Very high62 Ų6253.5 Ų53.564%0.63932%0.316SS*.  trans75.122.1175.500000114.4F45 T46F45-G50 PolarHBondContact O-N 3.25Å; F45-G50 VanDerWaalsContact O-N 3.09Å; T46-G50 VanDerWaalsContact O-CA 3.28Å; T46-G50 WeakPolarHBondContact O-CA 3.41Å; T46-G50 PolarHBondContact O-N 3.15Å; T46-G50 VanDerWaalsContact O-N 3.15Å
51L94.1Very high93.7Very high3 Ų354.8 Ų54.82%0.01632%0.319CS..  trans-75.3138.2177.1-59.3-170.2000110.9Y31 K33 I34 F45 T46 L49 D55 V59Y31-L51 HydrophobicContact CD1-CD2 4.5Å; Y31-L51 HydrophobicContact CE1-CD2 4.14Å; K33-L51 HydrophobicContact CB-CD2 3.77Å; I34-L51 HydrophobicContact CD1-CD1 4.03Å; I34-L51 HydrophobicContact CG1-CD1 4.06Å; I34-L51 HydrophobicContact CG1-CD2 4.24Å; F45-L51 HydrophobicContact CB-CB 4.36Å; F45-L51 HydrophobicContact CB-CD1 4.1Å; F45-L51 HydrophobicContact CD1-CD1 4Å; F45-L51 HydrophobicContact CG-CD1 4.36Å; F45-L51 WeakPolarHBondContact O-CB 3.4Å; F45-L51 PolarHBondContact O-N 3.12Å; T46-L51 WeakPolarHBondContact CA-O 3.35Å; L49-L51 HydrophobicContact CB-CG 4.25Å; L51-D55 HydrophobicContact CB-CB 3.78Å; L51-D55 HydrophobicContact CD1-CB 4.46Å; L51-D55 HydrophobicContact CD2-CB 4.15Å; L51-D55 HydrophobicContact CG-CB 4.34Å; L51-V59 HydrophobicContact CD1-CG2 4.23Å
52D94.4Very high93.7Very high77 Ų7754 Ų5441%0.41232%0.319SS..  trans-84.4-176.8172.673.327.1000112.2L54 D55 Q56D52-L54 VanDerWaalsContact C-N 3.31Å; D52-L54 PolarHBondContact O-N 3.04Å; D52-L54 WeakPolarHBondContact OD1-CA 3.45Å; D52-L54 WeakPolarHBondContact OD1-CB 3.07Å; D52-L54 PolarHBondContact OD1-N 3.29Å; D52-D55 PolarHBondContact N-OD2 3.06Å; D52-D55 VanDerWaalsContact N-OD2 3.15Å; D52-D55 PolarHBondContact O-N 3.3Å; D52-D55 VanDerWaalsContact OD1-CG 3.29Å; D52-D55 PolarHBondContact OD1-N 2.71Å; D52-Q56 PolarHBondContact O-N 3.46Å; D52-Q56 VanDerWaalsContact O-N 3.09Å
53S91.5Very high93.7Very high86 Ų8649.5 Ų49.560%0.60129%0.288SS*.Hα-helixtrans-68.1-28.4-179.855.40000113.6V57S53-V57 WeakPolarHBondContact O-CG2 3.43Å; S53-V57 PolarHBondContact O-N 2.94Å
54L93.5Very high93.7Very high117 Ų11751.7 Ų51.761%0.61330%0.298SS*.Hα-helixtrans-74.7-41.1177.5-62.4177.7000109.8D52 Q56 V57 E58D52-L54 VanDerWaalsContact C-N 3.31Å; D52-L54 PolarHBondContact O-N 3.04Å; D52-L54 WeakPolarHBondContact OD1-CA 3.45Å; D52-L54 WeakPolarHBondContact OD1-CB 3.07Å; D52-L54 PolarHBondContact OD1-N 3.29Å; L54-Q56 VanDerWaalsContact C-N 3.29Å; L54-Q56 PolarHBondContact O-N 3.12Å; L54-V57 WeakPolarHBondContact O-CB 3.43Å; L54-V57 PolarHBondContact O-N 2.97Å; L54-V57 VanDerWaalsContact O-N 3.11Å; L54-E58 PolarHBondContact O-N 3.34Å
55D94.6Very high93.7Very high7 Ų757.7 Ų57.74%0.03733%0.326CS..Hα-helixtrans-60.1-40.6175.2-63-22.2000111.7Y31 K33 L51 D52 V57 E58 V59Y31-D55 HydrophobicContact CE1-CB 4.28Å; Y31-D55 WeakPolarHBondContact OH-CA 3.43Å; Y31-D55 PolarHBondContact OH-OD1 3.22Å; K33-D55 WeakPolarHBondContact CD-OD1 3.46Å; K33-D55 WeakPolarHBondContact CD-OD2 3.45Å; K33-D55 IonicContact NZ-OD1 2.54Å; K33-D55 PolarHBondContact NZ-OD1 3.4Å; K33-D55 IonicContact NZ-OD2 3.5Å; K33-D55 PolarHBondContact NZ-OD2 3.04Å; L51-D55 HydrophobicContact CB-CB 3.78Å; L51-D55 HydrophobicContact CD1-CB 4.46Å; L51-D55 HydrophobicContact CD2-CB 4.15Å; L51-D55 HydrophobicContact CG-CB 4.34Å; D52-D55 PolarHBondContact N-OD2 3.06Å; D52-D55 VanDerWaalsContact N-OD2 3.15Å; D52-D55 PolarHBondContact O-N 3.3Å; D52-D55 VanDerWaalsContact OD1-CG 3.29Å; D52-D55 PolarHBondContact OD1-N 2.71Å; D55-V57 VanDerWaalsContact C-N 3.35Å; D55-V57 PolarHBondContact O-N 3.35Å; D55-E58 PolarHBondContact O-N 3.17Å; D55-V59 WeakPolarHBondContact O-CG2 3.34Å; D55-V59 PolarHBondContact O-N 3.01Å
56Q91.6Very high93.6Very high24 Ų2460 Ų6011%0.11234%0.337CS..Hα-helixtrans-61.1-44.4174.9-171.9175.912.600111.3D52 L54 E58 V59 I60 L79 M80D52-Q56 PolarHBondContact O-N 3.46Å; D52-Q56 VanDerWaalsContact O-N 3.09Å; L54-Q56 VanDerWaalsContact C-N 3.29Å; L54-Q56 PolarHBondContact O-N 3.12Å; Q56-E58 VanDerWaalsContact C-N 3.33Å; Q56-E58 PolarHBondContact O-N 2.89Å; Q56-V59 PolarHBondContact O-N 3.4Å; Q56-I60 WeakPolarHBondContact O-CG1 3.3Å; Q56-I60 PolarHBondContact O-N 3.41Å; Q56-L79 PolarHBondContact NE2-O 3.47Å; Q56-M80 PolarHBondContact NE2-SD 3.22Å; Q56-M80 VanDerWaalsContact NE2-SD 3.38Å
57V93.3Very high93.6Very high82 Ų8257.6 Ų57.650%0.49732%0.321SS..Hα-helixtrans-61.4-42177172.90000111S53 L54 D55 I60 M61S53-V57 WeakPolarHBondContact O-CG2 3.43Å; S53-V57 PolarHBondContact O-N 2.94Å; L54-V57 WeakPolarHBondContact O-CB 3.43Å; L54-V57 PolarHBondContact O-N 2.97Å; L54-V57 VanDerWaalsContact O-N 3.11Å; D55-V57 VanDerWaalsContact C-N 3.35Å; D55-V57 PolarHBondContact O-N 3.35Å; V57-I60 PolarHBondContact O-N 2.99Å; V57-M61 HydrophobicContact CG1-CE 4.03Å; V57-M61 HydrophobicContact CG1-SD 4.33Å; V57-M61 WeakPolarHBondContact O-CG 3.3Å; V57-M61 PolarHBondContact O-N 2.96Å
58E94.1Very high93.5Very high89 Ų8954.9 Ų54.942%0.41632%0.323SS..Hα-helixtrans-61.9-43.9175.4-70.3-179.1-175.100112.9Y31 L54 D55 Q56 I60 M61 A62Y31-E58 HydrophobicContact CE2-CB 4Å; Y31-E58 WeakPolarHBondContact CE2-OE2 3.47Å; Y31-E58 PolarHBondContact OH-OE2 3.5Å; L54-E58 PolarHBondContact O-N 3.34Å; D55-E58 PolarHBondContact O-N 3.17Å; Q56-E58 VanDerWaalsContact C-N 3.33Å; Q56-E58 PolarHBondContact O-N 2.89Å; E58-I60 VanDerWaalsContact C-N 3.33Å; E58-I60 PolarHBondContact O-N 3.36Å; E58-M61 HydrophobicContact CB-CE 4.37Å; E58-M61 HydrophobicContact CG-CE 4.02Å; E58-M61 PolarHBondContact O-N 3.15Å; E58-A62 WeakPolarHBondContact O-CB 3.09Å; E58-A62 PolarHBondContact O-N 3.11Å
59V93.9Very high93.3Very high3 Ų351.7 Ų51.72%0.01830%0.304CS..Hα-helixtrans-60.1-44.2174.8166.80000111L28 Y31 F45 L51 D55 Q56 A62 M63 I85L28-V59 HydrophobicContact CD2-CG1 3.49Å; L28-V59 VanDerWaalsContact CD2-CG1 3.49Å; L28-V59 HydrophobicContact CD2-CG2 4.18Å; Y31-V59 HydrophobicContact CD1-CG2 4.28Å; Y31-V59 HydrophobicContact CD2-CG2 4.45Å; Y31-V59 HydrophobicContact CE1-CG2 4.32Å; Y31-V59 HydrophobicContact CG-CG2 4.34Å; F45-V59 HydrophobicContact CZ-CG1 4.42Å; L51-V59 HydrophobicContact CD1-CG2 4.23Å; D55-V59 WeakPolarHBondContact O-CG2 3.34Å; D55-V59 PolarHBondContact O-N 3.01Å; Q56-V59 PolarHBondContact O-N 3.4Å; V59-A62 PolarHBondContact O-N 3.49Å; V59-M63 HydrophobicContact CG1-CE 4.35Å; V59-M63 WeakPolarHBondContact O-CG 3.45Å; V59-M63 PolarHBondContact O-N 3.03Å; V59-I85 HydrophobicContact CG1-CD1 4.12Å
60I93.9Very high93.3Very high15 Ų1558.5 Ų58.58%0.07734%0.335CS..Hα-helixtrans-62.5-46.8177.8-66.6-45.5000111Q56 V57 E58 A62 M63 E64 I71 L79 I85Q56-I60 WeakPolarHBondContact O-CG1 3.3Å; Q56-I60 PolarHBondContact O-N 3.41Å; V57-I60 PolarHBondContact O-N 2.99Å; E58-I60 VanDerWaalsContact C-N 3.33Å; E58-I60 PolarHBondContact O-N 3.36Å; I60-A62 VanDerWaalsContact C-N 3.29Å; I60-A62 PolarHBondContact O-N 3.28Å; I60-M63 WeakPolarHBondContact O-CB 3.49Å; I60-M63 PolarHBondContact O-N 3.48Å; I60-E64 WeakPolarHBondContact O-CG 3.43Å; I60-E64 PolarHBondContact O-N 2.88Å; I60-I71 HydrophobicContact CG2-CB 3.96Å; I60-I71 HydrophobicContact CG2-CD1 3.83Å; I60-I71 HydrophobicContact CG2-CG1 4.43Å; I60-I71 HydrophobicContact CG2-CG2 4.1Å; I60-L79 HydrophobicContact CD1-CB 3.93Å; I60-L79 HydrophobicContact CD1-CD1 3.69Å; I60-L79 HydrophobicContact CD1-CG 4.41Å; I60-I85 HydrophobicContact CD1-CD1 4.46Å
61M93.5Very high93.4Very high96 Ų9656 Ų5647%0.47331%0.307SS..Hα-helixtrans-59.4-39176.2-69.8-175.5-6000112.2V57 E58 M63 E64 E65V57-M61 HydrophobicContact CG1-CE 4.03Å; V57-M61 HydrophobicContact CG1-SD 4.33Å; V57-M61 WeakPolarHBondContact O-CG 3.3Å; V57-M61 PolarHBondContact O-N 2.96Å; E58-M61 HydrophobicContact CB-CE 4.37Å; E58-M61 HydrophobicContact CG-CE 4.02Å; E58-M61 PolarHBondContact O-N 3.15Å; M61-M63 VanDerWaalsContact C-N 3.31Å; M61-M63 PolarHBondContact O-N 2.89Å; M61-E64 WeakPolarHBondContact O-CB 3.3Å; M61-E64 PolarHBondContact O-N 3.43Å; M61-E65 PolarHBondContact O-N 3.46Å
62A95.1Very high93.4Very high32 Ų3258.8 Ų58.826%0.26433%0.326SS..Hα-helixtrans-65.1-34.3175.900000112.4V27 E58 V59 I60 E66V27-A62 HydrophobicContact CG1-CB 3.75Å; E58-A62 WeakPolarHBondContact O-CB 3.09Å; E58-A62 PolarHBondContact O-N 3.11Å; V59-A62 PolarHBondContact O-N 3.49Å; I60-A62 VanDerWaalsContact C-N 3.29Å; I60-A62 PolarHBondContact O-N 3.28Å; A62-E66 VanDerWaalsContact O-CB 3.3Å; A62-E66 WeakPolarHBondContact O-CB 3.33Å; A62-E66 PolarHBondContact O-N 3.39Å
63M94.7Very high93.2Very high0 Ų060.2 Ų60.20%034%0.339CS..Hα-helixtrans-69.6-40.9173.7-64.1-63.1151.500112V24 V27 L28 V59 I60 M61 E65 E66 F67 I71 I85V24-M63 HydrophobicContact CB-SD 4.44Å; V24-M63 HydrophobicContact CG1-CE 4.19Å; V24-M63 HydrophobicContact CG1-SD 4.25Å; V24-M63 HydrophobicContact CG2-SD 4.18Å; V27-M63 HydrophobicContact CB-CE 3.64Å; V27-M63 HydrophobicContact CB-SD 4.38Å; V27-M63 HydrophobicContact CG1-CE 3.5Å; V27-M63 HydrophobicContact CG1-SD 4.35Å; L28-M63 HydrophobicContact CD1-CE 4.43Å; L28-M63 HydrophobicContact CD2-CE 3.92Å; L28-M63 HydrophobicContact CG-CE 3.72Å; V59-M63 HydrophobicContact CG1-CE 4.35Å; V59-M63 WeakPolarHBondContact O-CG 3.45Å; V59-M63 PolarHBondContact O-N 3.03Å; I60-M63 WeakPolarHBondContact O-CB 3.49Å; I60-M63 PolarHBondContact O-N 3.48Å; M61-M63 VanDerWaalsContact C-N 3.31Å; M61-M63 PolarHBondContact O-N 2.89Å; M63-E65 VanDerWaalsContact C-N 3.32Å; M63-E65 PolarHBondContact O-N 3.21Å; M63-E66 PolarHBondContact O-N 3.46Å; M63-F67 VanDerWaalsContact O-CD2 3.31Å; M63-F67 WeakPolarHBondContact O-CD2 3.27Å; M63-F67 PolarHBondContact O-N 3.36Å; M63-F67 HydrophobicContact SD-CE2 4.07Å; M63-I71 HydrophobicContact CB-CD1 4.45Å; M63-I85 HydrophobicContact CB-CG2 4.5Å; M63-I85 HydrophobicContact CE-CD1 4.39Å; M63-I85 HydrophobicContact CG-CD1 4.17Å; M63-I85 HydrophobicContact CG-CG2 3.82Å; M63-I85 HydrophobicContact SD-CG2 3.8Å
64E94.5Very high93.3Very high48 Ų4859.1 Ų59.122%0.22434%0.335CS..Hα-helixtrans-57.5-46.1175-69179.1146.900111.5I60 M61 G68 F69 I71I60-E64 WeakPolarHBondContact O-CG 3.43Å; I60-E64 PolarHBondContact O-N 2.88Å; M61-E64 WeakPolarHBondContact O-CB 3.3Å; M61-E64 PolarHBondContact O-N 3.43Å; E64-G68 VanDerWaalsContact O-CA 3.25Å; E64-G68 WeakPolarHBondContact O-CA 3.32Å; E64-G68 PolarHBondContact O-N 3.47Å; E64-F69 WeakPolarHBondContact CA-O 3.36Å; E64-F69 WeakPolarHBondContact CB-O 3.49Å; E64-F69 VanDerWaalsContact CG-O 3.3Å; E64-F69 WeakPolarHBondContact CG-O 3.34Å; E64-F69 PolarHBondContact O-N 3.47Å; E64-I71 HydrophobicContact CG-CB 4.15Å; E64-I71 HydrophobicContact CG-CD1 4Å; E64-I71 HydrophobicContact CG-CG1 3.86Å; E64-I71 WeakPolarHBondContact OE1-CA 3.3Å; E64-I71 PolarHBondContact OE1-N 3.35Å
65E94.2Very high93.3Very high171 Ų17156.5 Ų56.580%0.79932%0.322SS*.Hα-helixtrans-65-45177.4-173.8174.7179.400112M61 M63 F67M61-E65 PolarHBondContact O-N 3.46Å; M63-E65 VanDerWaalsContact C-N 3.32Å; M63-E65 PolarHBondContact O-N 3.21Å; E65-F67 PolarHBondContact O-N 3.03Å
66E93.1Very high93.3Very high50 Ų5056.5 Ų56.523%0.23432%0.323CS..Hα-helixtrans-63.5-42.6-177.3173.665.8172.800112.6R23 V27 A62 M63R23-E66 IonicContact CZ-OE1 3.11Å; R23-E66 IonicContact CZ-OE2 3.9Å; R23-E66 IonicContact NE-OE1 2.66Å; R23-E66 PolarHBondContact NE-OE1 3.41Å; R23-E66 PolarHBondContact NH2-O 2.99Å; R23-E66 IonicContact NH2-OE1 2.83Å; R23-E66 PolarHBondContact NH2-OE1 3.13Å; R23-E66 IonicContact NH2-OE2 2.89Å; R23-E66 PolarHBondContact NH2-OE2 3.21Å; V27-E66 HydrophobicContact CG2-CB 3.97Å; V27-E66 HydrophobicContact CG2-CG 3.69Å; A62-E66 VanDerWaalsContact O-CB 3.3Å; A62-E66 WeakPolarHBondContact O-CB 3.33Å; A62-E66 PolarHBondContact O-N 3.39Å; M63-E66 PolarHBondContact O-N 3.46Å
67F92.2Very high93.3Very high11 Ų1161.7 Ų61.75%0.04835%0.347CS..Hα-helixtrans-94.9-18.3-177.6-66.7-74.8000113.5Y15 V20 R23 V24 M63 E65 F69 V89Y15-F67 HydrophobicContact CD1-CE1 4.5Å; Y15-F67 AromaticContact CE1-CD1 3.97Å; Y15-F67 HydrophobicContact CE1-CD1 3.97Å; Y15-F67 AromaticContact CE1-CE1 3.89Å; Y15-F67 HydrophobicContact CE1-CE1 3.89Å; Y15-F67 HydrophobicContact CE2-CD1 4.43Å; Y15-F67 AromaticContact CZ-CD1 3.77Å; V20-F67 HydrophobicContact CG1-CE1 4.45Å; V20-F67 HydrophobicContact CG1-CZ 4.32Å; R23-F67 HydrophobicContact CB-CE1 4.29Å; R23-F67 HydrophobicContact CB-CZ 3.93Å; V24-F67 HydrophobicContact CG2-CE2 3.76Å; V24-F67 HydrophobicContact CG2-CZ 3.75Å; M63-F67 VanDerWaalsContact O-CD2 3.31Å; M63-F67 WeakPolarHBondContact O-CD2 3.27Å; M63-F67 PolarHBondContact O-N 3.36Å; M63-F67 HydrophobicContact SD-CE2 4.07Å; E65-F67 PolarHBondContact O-N 3.03Å; F67-F69 HydrophobicContact CB-CD1 3.48Å; F67-F69 VanDerWaalsContact CB-CD1 3.48Å; F67-F69 HydrophobicContact CB-CE1 3.17Å; F67-F69 HydrophobicContact CB-CZ 4.01Å; F67-F69 HydrophobicContact CD2-CE1 4.31Å; F67-F69 AromaticContact CG-CE1 3.84Å; F67-F69 HydrophobicContact CG-CE1 3.84Å; F67-F69 HydrophobicContact CG-CZ 4.46Å; F67-V89 HydrophobicContact CD1-CG1 3.59Å; F67-V89 HydrophobicContact CD2-CG1 4.24Å; F67-V89 HydrophobicContact CD2-CG2 3.76Å; F67-V89 HydrophobicContact CE1-CG1 3.61Å; F67-V89 HydrophobicContact CE2-CG1 4.26Å; F67-V89 HydrophobicContact CE2-CG2 3.74Å; F67-V89 HydrophobicContact CG-CG1 3.95Å; F67-V89 HydrophobicContact CG-CG2 4.22Å; F67-V89 HydrophobicContact CZ-CG1 3.96Å; F67-V89 HydrophobicContact CZ-CG2 4.17Å
68G90.4Very high93.3Very high67 Ų6763.7 Ų63.769%0.69136%0.355SS*.THydrogen-bonded Turntrans79.235.4176.800000113.9E64E64-G68 VanDerWaalsContact O-CA 3.25Å; E64-G68 WeakPolarHBondContact O-CA 3.32Å; E64-G68 PolarHBondContact O-N 3.47Å
69F90.4Very high93.3Very high23 Ų2359.9 Ų59.910%0.10134%0.337CS..  trans-137.3162.3175.763.7-109.3000111.4E64 F67 I71 Y88 V89 K92E64-F69 WeakPolarHBondContact CA-O 3.36Å; E64-F69 WeakPolarHBondContact CB-O 3.49Å; E64-F69 VanDerWaalsContact CG-O 3.3Å; E64-F69 WeakPolarHBondContact CG-O 3.34Å; E64-F69 PolarHBondContact O-N 3.47Å; F67-F69 HydrophobicContact CB-CD1 3.48Å; F67-F69 VanDerWaalsContact CB-CD1 3.48Å; F67-F69 HydrophobicContact CB-CE1 3.17Å; F67-F69 HydrophobicContact CB-CZ 4.01Å; F67-F69 HydrophobicContact CD2-CE1 4.31Å; F67-F69 AromaticContact CG-CE1 3.84Å; F67-F69 HydrophobicContact CG-CE1 3.84Å; F67-F69 HydrophobicContact CG-CZ 4.46Å; F69-I71 HydrophobicContact CD2-CG1 3.91Å; F69-I71 HydrophobicContact CE2-CD1 3.74Å; F69-I71 HydrophobicContact CE2-CG1 3.42Å; F69-I71 VanDerWaalsContact CE2-CG1 3.42Å; F69-Y88 HydrophobicContact CD2-CE1 4.42Å; F69-Y88 HydrophobicContact CE2-CD1 4.11Å; F69-Y88 AromaticContact CE2-CE1 3.65Å; F69-Y88 HydrophobicContact CE2-CE1 3.65Å; F69-Y88 HydrophobicContact CZ-CD1 4.2Å; F69-Y88 HydrophobicContact CZ-CE1 4.15Å; F69-V89 HydrophobicContact CE1-CG1 4.31Å; F69-V89 HydrophobicContact CE1-CG2 4.15Å; F69-V89 HydrophobicContact CZ-CB 4.48Å; F69-V89 HydrophobicContact CZ-CG2 3.77Å; F69-K92 HydrophobicContact CD1-CG 4.09Å; F69-K92 HydrophobicContact CE1-CB 4.49Å; F69-K92 HydrophobicContact CE1-CG 4.33Å; F69-K92 HydrophobicContact CG-CG 4.21Å
70E93.4Very high93.4Very high165 Ų16562.8 Ų62.877%0.77135%0.351SS*.  trans-96.4139.5174.8-64.2175.4-179.100111.3
71I94Very high93.5Very high10 Ų1063.1 Ų63.15%0.05135%0.354CS..  trans-107.7116175-61.6172.3000107.6I60 M63 E64 F69 D75 L79 Y88I60-I71 HydrophobicContact CG2-CB 3.96Å; I60-I71 HydrophobicContact CG2-CD1 3.83Å; I60-I71 HydrophobicContact CG2-CG1 4.43Å; I60-I71 HydrophobicContact CG2-CG2 4.1Å; M63-I71 HydrophobicContact CB-CD1 4.45Å; E64-I71 HydrophobicContact CG-CB 4.15Å; E64-I71 HydrophobicContact CG-CD1 4Å; E64-I71 HydrophobicContact CG-CG1 3.86Å; E64-I71 WeakPolarHBondContact OE1-CA 3.3Å; E64-I71 PolarHBondContact OE1-N 3.35Å; F69-I71 HydrophobicContact CD2-CG1 3.91Å; F69-I71 HydrophobicContact CE2-CD1 3.74Å; F69-I71 HydrophobicContact CE2-CG1 3.42Å; F69-I71 VanDerWaalsContact CE2-CG1 3.42Å; I71-D75 HydrophobicContact CG2-CB 4.05Å; I71-L79 HydrophobicContact CD1-CD1 4.17Å; I71-L79 HydrophobicContact CG2-CD1 4.27Å; I71-Y88 HydrophobicContact CD1-CE1 4.28Å; I71-Y88 HydrophobicContact CG1-CD1 4.49Å; I71-Y88 HydrophobicContact CG1-CE1 3.77Å
72P94.6Very high93.5Very high62 Ų6258.5 Ų58.540%0.40333%0.332SS..  trans-56.1142.2173.5-24.134000111.2A74 D75 G76P72-A74 PolarHBondContact O-N 2.78Å; P72-A74 VanDerWaalsContact O-N 3.12Å; P72-D75 HydrophobicContact CB-CB 4.49Å; P72-D75 WeakPolarHBondContact O-CA 3.43Å; P72-D75 PolarHBondContact O-N 3.04Å; P72-G76 PolarHBondContact O-N 2.86Å
73P91.5Very high93.6Very high107 Ų10757.6 Ų57.670%0.69533%0.325SS*.Hα-helixtrans-52.6-39.8-179.6-29.535000113.6D75 G76 E77P73-D75 VanDerWaalsContact C-N 3.29Å; P73-D75 PolarHBondContact O-N 3.43Å; P73-G76 PolarHBondContact O-N 3.35Å; P73-E77 WeakPolarHBondContact O-CG 3.21Å; P73-E77 PolarHBondContact O-N 3.21Å
74A93.2Very high93.7Very high63 Ų6359.9 Ų59.952%0.52134%0.337SS..Hα-helixtrans-63.2-32.3177.300000113.5P72 L78P72-A74 PolarHBondContact O-N 2.78Å; P72-A74 VanDerWaalsContact O-N 3.12Å; A74-L78 WeakPolarHBondContact O-CG 3.25Å
75D94.1Very high93.7Very high62 Ų6257.7 Ų57.733%0.33233%0.327SS..Hα-helixtrans-78.7-40.3175.1-71.1-8.8000110.1I71 P72 P73 E77 L78 L79 Y88I71-D75 HydrophobicContact CG2-CB 4.05Å; P72-D75 HydrophobicContact CB-CB 4.49Å; P72-D75 WeakPolarHBondContact O-CA 3.43Å; P72-D75 PolarHBondContact O-N 3.04Å; P73-D75 VanDerWaalsContact C-N 3.29Å; P73-D75 PolarHBondContact O-N 3.43Å; D75-E77 VanDerWaalsContact C-N 3.31Å; D75-E77 PolarHBondContact O-N 3.22Å; D75-L78 WeakPolarHBondContact O-CB 3.15Å; D75-L78 PolarHBondContact O-N 3.03Å; D75-L79 WeakPolarHBondContact O-CG 3.31Å; D75-L79 PolarHBondContact O-N 3.26Å; D75-Y88 HydrophobicContact CB-CE2 3.92Å
76G93.1Very high93.8Very high6 Ų650 Ų506%0.06229%0.292CS..Hα-helixtrans-58.8-39.3177.400000113.2P72 P73 L78 L79P72-G76 PolarHBondContact O-N 2.86Å; P73-G76 PolarHBondContact O-N 3.35Å; G76-L78 PolarHBondContact O-N 3.39Å; G76-L79 PolarHBondContact O-N 3Å; G76-L79 VanDerWaalsContact O-N 3.1Å
77E92Very high93.8Very high133 Ų13353.9 Ų53.962%0.62131%0.308SS*.THydrogen-bonded Turntrans-61-24173.9-75.3175.9-164.400113.2P73 D75 M80P73-E77 WeakPolarHBondContact O-CG 3.21Å; P73-E77 PolarHBondContact O-N 3.21Å; D75-E77 VanDerWaalsContact C-N 3.31Å; D75-E77 PolarHBondContact O-N 3.22Å; E77-M80 WeakPolarHBondContact O-CE 3.31Å
78L93.3Very high93.9Very high125 Ų12555.4 Ų55.465%0.65431%0.314SS*.THydrogen-bonded Turntrans-88.1-11.7178.6-59.6174.1000112.9A74 D75 G76 M80A74-L78 WeakPolarHBondContact O-CG 3.25Å; D75-L78 WeakPolarHBondContact O-CB 3.15Å; D75-L78 PolarHBondContact O-N 3.03Å; G76-L78 PolarHBondContact O-N 3.39Å; L78-M80 PolarHBondContact O-N 3.45Å; L78-M80 VanDerWaalsContact O-N 3.14Å
79L95.1Very high94Very high9 Ų952.2 Ų52.25%0.04728%0.281CS..  trans-85.784-178.9-60.2178.8000110F45 Q56 I60 I71 D75 G76 D84 I85 Y88F45-L79 WeakPolarHBondContact CD2-O 3.45Å; Q56-L79 PolarHBondContact NE2-O 3.47Å; I60-L79 HydrophobicContact CD1-CB 3.93Å; I60-L79 HydrophobicContact CD1-CD1 3.69Å; I60-L79 HydrophobicContact CD1-CG 4.41Å; I71-L79 HydrophobicContact CD1-CD1 4.17Å; I71-L79 HydrophobicContact CG2-CD1 4.27Å; D75-L79 WeakPolarHBondContact O-CG 3.31Å; D75-L79 PolarHBondContact O-N 3.26Å; G76-L79 PolarHBondContact O-N 3Å; G76-L79 VanDerWaalsContact O-N 3.1Å; L79-D84 HydrophobicContact CD2-CB 3.97Å; L79-I85 HydrophobicContact CB-CG1 4.12Å; L79-I85 HydrophobicContact CD1-CG1 4.33Å; L79-Y88 HydrophobicContact CD1-CG 4.39Å; L79-Y88 HydrophobicContact CD2-CD2 4.31Å; L79-Y88 HydrophobicContact CD2-CG 4.23Å
80M94.4Very high94.1Very high63 Ų6351.3 Ų51.331%0.3128%0.277SS..  trans-96.6-16.3-174.4-64.7-58.2-170.900114.2H44 F45 Q56 E77 L78H44-M80 WeakPolarHBondContact CA-O 3.29Å; F45-M80 WeakPolarHBondContact CD2-O 3.24Å; F45-M80 PolarHBondContact N-O 2.84Å; Q56-M80 PolarHBondContact NE2-SD 3.22Å; Q56-M80 VanDerWaalsContact NE2-SD 3.38Å; E77-M80 WeakPolarHBondContact O-CE 3.31Å; L78-M80 PolarHBondContact O-N 3.45Å; L78-M80 VanDerWaalsContact O-N 3.14Å
81T96Very high94Very high22 Ų2252.7 Ų52.714%0.13528%0.276CS..SBendtrans-133156.6179.970.40000111.5G83 D84 I85T81-G83 PolarHBondContact O-N 2.9Å; T81-D84 WeakPolarHBondContact CB-OD2 3.48Å; T81-D84 PolarHBondContact N-OD2 3.05Å; T81-D84 WeakPolarHBondContact O-CB 3.46Å; T81-D84 PolarHBondContact O-N 2.89Å; T81-D84 PolarHBondContact OG1-N 3.24Å; T81-D84 PolarHBondContact OG1-OD2 2.94Å; T81-I85 PolarHBondContact O-N 2.83Å
82P95.4Very high93.8Very high0 Ų057.6 Ų57.60%030%0.296CS..Hα-helixtrans-58.2-32.6172.9-24.334.2000112.4V24 L25 L28 L39 T40 L41 S43 F45 D84 I85 V86V24-P82 HydrophobicContact CG1-CB 4.46Å; L25-P82 HydrophobicContact CD2-CB 4.44Å; L28-P82 HydrophobicContact CD1-CB 3.56Å; L28-P82 HydrophobicContact CD1-CG 3.6Å; L39-P82 HydrophobicContact CD1-CG 3.79Å; T40-P82 WeakPolarHBondContact O-CG 3.47Å; L41-P82 HydrophobicContact CD2-CB 4.19Å; S43-P82 WeakPolarHBondContact O-CD 3.43Å; F45-P82 HydrophobicContact CE1-CG 3.84Å; F45-P82 HydrophobicContact CZ-CG 3.94Å; P82-D84 VanDerWaalsContact C-N 3.32Å; P82-D84 PolarHBondContact O-N 3.43Å; P82-I85 PolarHBondContact O-N 3.14Å; P82-V86 WeakPolarHBondContact O-CG2 3.39Å; P82-V86 PolarHBondContact O-N 3.39Å
83G96.2Very high93.4Very high12 Ų1257.3 Ų57.312%0.12429%0.29CS..Hα-helixtrans-63.7-34.8174.600000113.3L41 T81 K87L41-G83 WeakPolarHBondContact O-CA 3.39Å; L41-G83 PolarHBondContact O-N 3.31Å; T81-G83 PolarHBondContact O-N 2.9Å; G83-K87 VanDerWaalsContact O-CG 3.3Å; G83-K87 WeakPolarHBondContact O-CG 3.35Å; G83-K87 PolarHBondContact O-N 2.79Å
84D96Very high93.2Very high49 Ų4957.7 Ų57.726%0.26229%0.286SS..Hα-helixtrans-68.9-41.9175.5-59.7-40.7000111L79 T81 P82 K87 Y88L79-D84 HydrophobicContact CD2-CB 3.97Å; T81-D84 WeakPolarHBondContact CB-OD2 3.48Å; T81-D84 PolarHBondContact N-OD2 3.05Å; T81-D84 WeakPolarHBondContact O-CB 3.46Å; T81-D84 PolarHBondContact O-N 2.89Å; T81-D84 PolarHBondContact OG1-N 3.24Å; T81-D84 PolarHBondContact OG1-OD2 2.94Å; P82-D84 VanDerWaalsContact C-N 3.32Å; P82-D84 PolarHBondContact O-N 3.43Å; D84-K87 PolarHBondContact O-N 3Å; D84-Y88 WeakPolarHBondContact O-CB 3.46Å; D84-Y88 PolarHBondContact O-N 3.2Å
85I95.2Very high92.7Very high1 Ų155.5 Ų55.51%0.00527%0.266CS..Hα-helixtrans-59.9-48.2174.3-60.3178.7000110.4V24 F45 V59 I60 M63 L79 T81 P82 K87 Y88 V89V24-I85 HydrophobicContact CG1-CB 4.09Å; V24-I85 HydrophobicContact CG1-CG2 3.87Å; V24-I85 HydrophobicContact CG2-CG2 3.8Å; F45-I85 HydrophobicContact CE2-CD1 3.75Å; F45-I85 HydrophobicContact CE2-CG1 4.35Å; F45-I85 HydrophobicContact CZ-CD1 3.55Å; F45-I85 HydrophobicContact CZ-CG1 4.42Å; V59-I85 HydrophobicContact CG1-CD1 4.12Å; I60-I85 HydrophobicContact CD1-CD1 4.46Å; M63-I85 HydrophobicContact CB-CG2 4.5Å; M63-I85 HydrophobicContact CE-CD1 4.39Å; M63-I85 HydrophobicContact CG-CD1 4.17Å; M63-I85 HydrophobicContact CG-CG2 3.82Å; M63-I85 HydrophobicContact SD-CG2 3.8Å; L79-I85 HydrophobicContact CB-CG1 4.12Å; L79-I85 HydrophobicContact CD1-CG1 4.33Å; T81-I85 PolarHBondContact O-N 2.83Å; P82-I85 PolarHBondContact O-N 3.14Å; I85-K87 VanDerWaalsContact C-N 3.34Å; I85-K87 PolarHBondContact O-N 3.47Å; I85-Y88 PolarHBondContact O-N 2.97Å; I85-Y88 VanDerWaalsContact O-N 3.15Å; I85-V89 HydrophobicContact CG2-CG2 4.17Å; I85-V89 VanDerWaalsContact O-CG2 3.27Å; I85-V89 WeakPolarHBondContact O-CG2 3.3Å; I85-V89 PolarHBondContact O-N 3.44Å
86V95.5Very high91.7Very high11 Ų1160 Ų607%0.06728%0.28CS..Hα-helixtrans-56.8-48.7177.6170.40000110.7V20 R21 V24 L41 P82 Y88 V89 C90V20-V86 HydrophobicContact CG1-CB 4.47Å; V20-V86 HydrophobicContact CG1-CG1 4.12Å; R21-V86 HydrophobicContact CB-CG1 4.5Å; R21-V86 HydrophobicContact CB-CG2 4.38Å; V24-V86 HydrophobicContact CB-CG2 3.87Å; V24-V86 HydrophobicContact CG1-CG2 4.02Å; V24-V86 HydrophobicContact CG2-CG2 3.86Å; L41-V86 HydrophobicContact CD2-CG2 4.25Å; P82-V86 WeakPolarHBondContact O-CG2 3.39Å; P82-V86 PolarHBondContact O-N 3.39Å; V86-Y88 VanDerWaalsContact C-N 3.31Å; V86-Y88 PolarHBondContact O-N 2.77Å; V86-V89 PolarHBondContact O-N 2.89Å; V86-C90 WeakPolarHBondContact O-CB 3.49Å; V86-C90 PolarHBondContact O-N 2.83Å; V86-C90 PolarHBondContact O-SG 2.66Å
87K94.4Very high90.3Very high131 Ų13171.2 Ų71.257%0.5733%0.33SS*.Hα-helixtrans-60.8-41.2177.7-72.5169.9-173.9168.10112G83 D84 I85 R91G83-K87 VanDerWaalsContact O-CG 3.3Å; G83-K87 WeakPolarHBondContact O-CG 3.35Å; G83-K87 PolarHBondContact O-N 2.79Å; D84-K87 PolarHBondContact O-N 3Å; I85-K87 VanDerWaalsContact C-N 3.34Å; I85-K87 PolarHBondContact O-N 3.47Å; K87-R91 WeakPolarHBondContact O-CB 3.3Å; K87-R91 VanDerWaalsContact O-CG 3.3Å; K87-R91 WeakPolarHBondContact O-CG 3.48Å; K87-R91 PolarHBondContact O-N 3.08Å
88Y94.7Very high90.3Very high42 Ų4268.2 Ų68.217%0.16532%0.316CS..Hα-helixtrans-63.2-49.7179-175.6-85.8000111.3F69 I71 D75 L79 D84 I85 V86 C90 R91 K92F69-Y88 HydrophobicContact CD2-CE1 4.42Å; F69-Y88 HydrophobicContact CE2-CD1 4.11Å; F69-Y88 AromaticContact CE2-CE1 3.65Å; F69-Y88 HydrophobicContact CE2-CE1 3.65Å; F69-Y88 HydrophobicContact CZ-CD1 4.2Å; F69-Y88 HydrophobicContact CZ-CE1 4.15Å; I71-Y88 HydrophobicContact CD1-CE1 4.28Å; I71-Y88 HydrophobicContact CG1-CD1 4.49Å; I71-Y88 HydrophobicContact CG1-CE1 3.77Å; D75-Y88 HydrophobicContact CB-CE2 3.92Å; L79-Y88 HydrophobicContact CD1-CG 4.39Å; L79-Y88 HydrophobicContact CD2-CD2 4.31Å; L79-Y88 HydrophobicContact CD2-CG 4.23Å; D84-Y88 WeakPolarHBondContact O-CB 3.46Å; D84-Y88 PolarHBondContact O-N 3.2Å; I85-Y88 PolarHBondContact O-N 2.97Å; I85-Y88 VanDerWaalsContact O-N 3.15Å; V86-Y88 VanDerWaalsContact C-N 3.31Å; V86-Y88 PolarHBondContact O-N 2.77Å; Y88-C90 PolarHBondContact O-N 3.1Å; Y88-R91 PolarHBondContact O-N 3.1Å; Y88-K92 PolarHBondContact O-N 3.37Å
89V92.7Very high90.1Very high1 Ų165.2 Ų65.21%0.00630%0.298CS..Hα-helixtrans-60.2-46.8176.9175.10000110.8V20 V24 F67 F69 I85 V86 R91 K92 E93V20-V89 HydrophobicContact CB-CG1 4.4Å; V20-V89 HydrophobicContact CG1-CB 3.66Å; V20-V89 HydrophobicContact CG1-CG1 3.49Å; V20-V89 VanDerWaalsContact CG1-CG1 3.49Å; V20-V89 HydrophobicContact CG1-CG2 4.44Å; V20-V89 HydrophobicContact CG2-CG1 4.01Å; V24-V89 HydrophobicContact CG2-CG2 4.49Å; F67-V89 HydrophobicContact CD1-CG1 3.59Å; F67-V89 HydrophobicContact CD2-CG1 4.24Å; F67-V89 HydrophobicContact CD2-CG2 3.76Å; F67-V89 HydrophobicContact CE1-CG1 3.61Å; F67-V89 HydrophobicContact CE2-CG1 4.26Å; F67-V89 HydrophobicContact CE2-CG2 3.74Å; F67-V89 HydrophobicContact CG-CG1 3.95Å; F67-V89 HydrophobicContact CG-CG2 4.22Å; F67-V89 HydrophobicContact CZ-CG1 3.96Å; F67-V89 HydrophobicContact CZ-CG2 4.17Å; F69-V89 HydrophobicContact CE1-CG1 4.31Å; F69-V89 HydrophobicContact CE1-CG2 4.15Å; F69-V89 HydrophobicContact CZ-CB 4.48Å; F69-V89 HydrophobicContact CZ-CG2 3.77Å; I85-V89 HydrophobicContact CG2-CG2 4.17Å; I85-V89 VanDerWaalsContact O-CG2 3.27Å; I85-V89 WeakPolarHBondContact O-CG2 3.3Å; I85-V89 PolarHBondContact O-N 3.44Å; V86-V89 PolarHBondContact O-N 2.89Å; V89-R91 VanDerWaalsContact C-N 3.31Å; V89-R91 PolarHBondContact O-N 2.85Å; V89-K92 WeakPolarHBondContact O-CB 3.42Å; V89-K92 PolarHBondContact O-N 3.24Å; V89-E93 HydrophobicContact CG1-CG 4.23Å; V89-E93 WeakPolarHBondContact O-CB 3.32Å; V89-E93 PolarHBondContact O-N 3.07Å
90C91.9Very high89.8Confident4 Ų468.3 Ų68.33%0.02731%0.312CS..Hα-helixtrans-59.9-40.4178.9-70.20000112.3M17 V86 Y88 K92 D94 V95M17-C90 HydrophobicContact CE-CB 4.31Å; M17-C90 HydrophobicContact SD-CB 3.75Å; M17-C90 PolarHBondContact SD-SG 2.94Å; V86-C90 WeakPolarHBondContact O-CB 3.49Å; V86-C90 PolarHBondContact O-N 2.83Å; V86-C90 PolarHBondContact O-SG 2.66Å; Y88-C90 PolarHBondContact O-N 3.1Å; C90-K92 VanDerWaalsContact C-N 3.32Å; C90-K92 PolarHBondContact O-N 2.87Å; C90-D94 PolarHBondContact O-N 3.14Å; C90-D94 VanDerWaalsContact O-N 3.14Å; C90-V95 HydrophobicContact CB-CB 4.11Å; C90-V95 PolarHBondContact O-N 3.16Å
91R91.4Very high89.5Confident194 Ų19468.6 Ų68.673%0.73231%0.312SS*.Hα-helixtrans-66.4-33.6173.8-73.6177.668.1164.71.3112.8K87 Y88 V89K87-R91 WeakPolarHBondContact O-CB 3.3Å; K87-R91 VanDerWaalsContact O-CG 3.3Å; K87-R91 WeakPolarHBondContact O-CG 3.48Å; K87-R91 PolarHBondContact O-N 3.08Å; Y88-R91 PolarHBondContact O-N 3.1Å; V89-R91 VanDerWaalsContact C-N 3.31Å; V89-R91 PolarHBondContact O-N 2.85Å
92K89.1Confident89.1Confident112 Ų11271.5 Ų71.549%0.48732%0.323SS..Hα-helixtrans-73.3-37.1179.7-16668.7173.2-164.50112.2F69 Y88 V89 C90F69-K92 HydrophobicContact CD1-CG 4.09Å; F69-K92 HydrophobicContact CE1-CB 4.49Å; F69-K92 HydrophobicContact CE1-CG 4.33Å; F69-K92 HydrophobicContact CG-CG 4.21Å; Y88-K92 PolarHBondContact O-N 3.37Å; V89-K92 WeakPolarHBondContact O-CB 3.42Å; V89-K92 PolarHBondContact O-N 3.24Å; C90-K92 VanDerWaalsContact C-N 3.32Å; C90-K92 PolarHBondContact O-N 2.87Å
93E86.9Confident88.7Confident57 Ų5776.3 Ų76.327%0.26635%0.345SS..THydrogen-bonded Turntrans-93.58.9-178-65.7-65.3146.900113.2Y15 V89 V95Y15-E93 HydrophobicContact CD2-CB 3.92Å; Y15-E93 HydrophobicContact CD2-CG 3.56Å; Y15-E93 WeakPolarHBondContact CD2-OE2 3.42Å; Y15-E93 HydrophobicContact CE2-CG 3.84Å; Y15-E93 WeakPolarHBondContact CE2-OE2 3.4Å; Y15-E93 HydrophobicContact CG-CG 4.45Å; V89-E93 HydrophobicContact CG1-CG 4.23Å; V89-E93 WeakPolarHBondContact O-CB 3.32Å; V89-E93 PolarHBondContact O-N 3.07Å; E93-V95 HydrophobicContact CB-CG2 3.83Å; E93-V95 PolarHBondContact O-N 3.12Å
94D86.4Confident88.2Confident115 Ų11580.9 Ų80.962%0.61536%0.361SS*.THydrogen-bonded Turntrans51.638.7-177.1-75.7-47000113.6C90 Y96C90-D94 PolarHBondContact O-N 3.14Å; C90-D94 VanDerWaalsContact O-N 3.14Å; D94-Y96 HydrophobicContact CB-CE2 3.86Å; D94-Y96 VanDerWaalsContact O-CD2 3.29Å; D94-Y96 WeakPolarHBondContact O-CD2 3.24Å; D94-Y96 WeakPolarHBondContact O-CE2 3.47Å; D94-Y96 PolarHBondContact OD1-OH 3.38Å
95V82.6Confident87.6Confident17 Ų1783.3 Ų83.310%0.10337%0.368CS..  trans-92.2110174.9-173.30000108.8Y15 M17 C90 E93Y15-V95 WeakPolarHBondContact O-CG2 3.42Å; M17-V95 HydrophobicContact CG-CG1 3.95Å; M17-V95 HydrophobicContact SD-CB 4.41Å; M17-V95 HydrophobicContact SD-CG1 3.74Å; C90-V95 HydrophobicContact CB-CB 4.11Å; C90-V95 PolarHBondContact O-N 3.16Å; E93-V95 HydrophobicContact CB-CG2 3.83Å; E93-V95 PolarHBondContact O-N 3.12Å
96Y74.3Confident87Confident156 Ų15690.2 Ų90.261%0.61240%0.398SS*.  trans-116155.2175.3-53.4-84.6000109.1D94D94-Y96 HydrophobicContact CB-CE2 3.86Å; D94-Y96 VanDerWaalsContact O-CD2 3.29Å; D94-Y96 WeakPolarHBondContact O-CD2 3.24Å; D94-Y96 WeakPolarHBondContact O-CE2 3.47Å; D94-Y96 PolarHBondContact OD1-OH 3.38Å
97E63.9Low86.2Confident242 Ų24297.4 Ų97.4100%1.13143%0.428SS*.  trans-63.70175-70.9-176.2171.100113M17M17-E97 HydrophobicContact CG-CG 4.25Å

Retrieved 97 of 97 residues in 115.9 ms (Link to these results)