A0A077YWY6_TRITR Loading...

Glutamyl tRNA(Gln) amidotransferase subunit C

AlphaFold DB , UniProt , Accession A0A077YWY6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 151 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
1M48.8Very low49.2Very low246 Ų246159.9 Ų159.9100%1.21287%0.866SS**  0125.70-71.2-124.1-117.200107.8
2A44.2Very low48.6Very low90 Ų90152.8 Ų152.874%0.74486%0.858SS**  trans1.4108.7-176.400000119.7S4A2-S4 PolarHBondContact O-N 3.48Å
3L46.3Very low48.3Very low180 Ų180146.2 Ų146.294%0.94285%0.846SS**  trans-84.698.3158.7-76.3166.2000108.6
4S49.2Very low48.3Very low108 Ų108153.5 Ų153.576%0.75585%0.852SS**  trans-91.2101.6177.4-53.60000109.6A2 L6A2-S4 PolarHBondContact O-N 3.48Å; S4-L6 PolarHBondContact O-N 3.35Å
5R48.1Very low48.4Very low242 Ų242151.5 Ų151.591%0.91385%0.851SS**  trans-69.5112.6168.8-80.9178.8157.5-178.1-6.8109.2
6L53.2Low48.7Very low160 Ų160147.9 Ų147.984%0.83885%0.846SS**  trans-83.2113.3170.4-146.880.3000108.7S4S4-L6 PolarHBondContact O-N 3.35Å
7L43.6Very low48.3Very low168 Ų168143.4 Ų143.488%0.8884%0.839SS**  trans-83115.4170.4-75.7164.2000108.4A9L7-A9 PolarHBondContact O-N 2.75Å
8I51.6Low48.4Very low159 Ų159144.7 Ų144.782%0.81584%0.841SS**  trans-85.7107.3169.6-60.8174.4000107.3S10I8-S10 PolarHBondContact O-N 3.26Å
9A47.1Very low48.4Very low89 Ų89141.6 Ų141.674%0.73684%0.835SS**  trans-75.7110.5173.400000109.7L7 K11L7-A9 PolarHBondContact O-N 2.75Å; A9-K11 PolarHBondContact O-N 3.41Å
10S50.5Low48.6Very low119 Ų119144.9 Ų144.983%0.83283%0.832SS**  trans-67.2108.8168179.20000109.3I8 G12I8-S10 PolarHBondContact O-N 3.26Å; S10-G12 PolarHBondContact O-N 2.92Å
11K58.4Low48.8Very low198 Ų198146.3 Ų146.386%0.86183%0.831SS**  trans-77.2106.4168.8-80.7-178175175.90107.9A9 G13A9-K11 PolarHBondContact O-N 3.41Å; K11-G13 PolarHBondContact O-N 3.4Å
12G42.1Very low49Very low74 Ų74142.9 Ų142.976%0.76381%0.81SS**  trans-56.4100.8169.500000111.3S10 R14S10-G12 PolarHBondContact O-N 2.92Å; G12-R14 PolarHBondContact O-N 3.11Å
13G44.8Very low49.5Very low68 Ų68143.4 Ų143.470%0.70181%0.807SS**  trans-66.8118165.300000109K11 C15K11-G13 PolarHBondContact O-N 3.4Å; G13-C15 VanDerWaalsContact C-N 3.34Å; G13-C15 PolarHBondContact O-N 3.35Å
14R48.2Very low49.9Very low248 Ų248144.7 Ų144.794%0.93681%0.805SS**  trans-67.793169.6-77.5178.8-79.1-174.2-4.5108.3G12 A16G12-R14 PolarHBondContact O-N 3.11Å; R14-A16 PolarHBondContact O-N 2.63Å; R14-A16 VanDerWaalsContact O-N 3.13Å
15C50.6Low50.5Low123 Ų123143.8 Ų143.883%0.83180%0.799SS**  trans-69105.1157.5-66.80000106.3G13 G17G13-C15 VanDerWaalsContact C-N 3.34Å; G13-C15 PolarHBondContact O-N 3.35Å; C15-G17 PolarHBondContact O-N 3.32Å
16A52.4Low51.2Low94 Ų94135.6 Ų135.678%0.77778%0.778SS**  trans-59.1105.7166.500000106.5R14 L18R14-A16 PolarHBondContact O-N 2.63Å; R14-A16 VanDerWaalsContact O-N 3.13Å; A16-L18 PolarHBondContact O-N 2.89Å
17G42.1Very low51.8Low71 Ų71132 Ų13273%0.73276%0.763SS**  trans-59.1103.2175.600000108.6C15 A19C15-G17 PolarHBondContact O-N 3.32Å; G17-A19 PolarHBondContact O-N 3.39Å
18L49.9Very low53Low168 Ų168129 Ų12988%0.8875%0.747SS**  trans-61.791.9151.6-85.1154.1000105A16 R20A16-L18 PolarHBondContact O-N 2.89Å; L18-R20 PolarHBondContact O-N 3.21Å
19A48.2Very low54.3Low86 Ų86126.5 Ų126.571%0.71174%0.744SS**  trans-52.4109.8164.500000105.5G17 Q21G17-A19 PolarHBondContact O-N 3.39Å; A19-Q21 VanDerWaalsContact C-N 3.3Å; A19-Q21 PolarHBondContact O-N 2.74Å
20R51.8Low55.9Low206 Ų206128 Ų12878%0.77774%0.744SS**  trans-55.3105169-78.2-175.5174.7-156.8-2.9105.1L18 F22L18-R20 PolarHBondContact O-N 3.21Å; R20-F22 PolarHBondContact O-N 3.39Å
21Q54.2Low57.2Low176 Ų176128.9 Ų128.982%0.82273%0.733SS**  trans-64.986.3170.6-171.8104.92.800105.2A19 C23A19-Q21 VanDerWaalsContact C-N 3.3Å; A19-Q21 PolarHBondContact O-N 2.74Å; Q21-C23 PolarHBondContact O-N 3.03Å
22F51.9Low58.4Low174 Ų174123.7 Ų123.776%0.76372%0.72SS**  trans-55.9116.1166.4-98.4-88.2000105.8R20 K24R20-F22 PolarHBondContact O-N 3.39Å; F22-K24 PolarHBondContact O-N 3.47Å
23C55.1Low60.5Low101 Ų101129.9 Ų129.968%0.68273%0.725SS**  trans-51.3119.1171.9-68.10000107.4Q21 S25Q21-C23 PolarHBondContact O-N 3.03Å; C23-S25 PolarHBondContact O-N 3.27Å; C23-S25 PolarHBondContact O-OG 3Å
24K54.2Low62.4Low207 Ų207128.9 Ų128.990%0.972%0.716SS**  trans-68.824176.3-68.9-178.7175.1179.10112.8F22 S26F22-K24 PolarHBondContact O-N 3.47Å; K24-S26 PolarHBondContact O-N 3.09Å
25S61.8Low64.1Low89 Ų89122 Ų12262%0.62271%0.705SS**SBendtrans-62.1125.9162.747.60000106.9C23 V27C23-S25 PolarHBondContact O-N 3.27Å; C23-S25 PolarHBondContact O-OG 3Å; S25-V27 PolarHBondContact O-N 3.13Å
26S62.8Low65.7Low69 Ų69120.9 Ų120.948%0.48370%0.695SS.*  trans-49.6109.9-175.2166.20000110.4K24 D28 S29K24-S26 PolarHBondContact O-N 3.09Å; S26-D28 PolarHBondContact O-N 3.06Å; S26-D28 VanDerWaalsContact O-N 3.14Å; S26-D28 VanDerWaalsContact OG-CB 3.3Å; S26-D28 WeakPolarHBondContact OG-CB 3.34Å; S26-D28 PolarHBondContact OG-N 2.98Å; S26-D28 PolarHBondContact OG-OD2 2.93Å; S26-S29 PolarHBondContact O-N 2.94Å
27V66.7Low67.2Low84 Ų84127.3 Ų127.351%0.50970%0.699SS.*G310 helixtrans-59.4-20.6174.7-67.90000111.3S25 S29 V30 F31S25-V27 PolarHBondContact O-N 3.13Å; V27-S29 PolarHBondContact O-N 3.37Å; V27-V30 PolarHBondContact O-N 3.07Å; V27-V30 VanDerWaalsContact O-N 3.07Å; V27-F31 HydrophobicContact CB-CD2 4.43Å; V27-F31 HydrophobicContact CB-CE2 4.17Å; V27-F31 WeakPolarHBondContact O-CD2 3.36Å
28D68.7Low69.3Low105 Ų105134.3 Ų134.356%0.56170%0.703SS**G310 helixtrans-62-15.8178.1-42.7-55.2000113.3S26S26-D28 PolarHBondContact O-N 3.06Å; S26-D28 VanDerWaalsContact O-N 3.14Å; S26-D28 VanDerWaalsContact OG-CB 3.3Å; S26-D28 WeakPolarHBondContact OG-CB 3.34Å; S26-D28 PolarHBondContact OG-N 2.98Å; S26-D28 PolarHBondContact OG-OD2 2.93Å
29S78.7Confident71.1Confident107 Ų107135.7 Ų135.775%0.74871%0.705SS**G310 helixtrans-80.5-27175.9-175.20000113.6S26 V27S26-S29 PolarHBondContact O-N 2.94Å; V27-S29 PolarHBondContact O-N 3.37Å
30V80.1Confident73.2Confident120 Ų120134.5 Ų134.573%0.72769%0.686SS**THydrogen-bonded Turntrans-88.5-33.1-174.4-178.20000110.8V27V27-V30 PolarHBondContact O-N 3.07Å; V27-V30 VanDerWaalsContact O-N 3.07Å
31F79.1Confident75Confident139 Ų139129.3 Ų129.361%0.6167%0.674SS**SBendtrans-90138.6-178.5-60.4-73.2000111.3V27 K33V27-F31 HydrophobicContact CB-CD2 4.43Å; V27-F31 HydrophobicContact CB-CE2 4.17Å; V27-F31 WeakPolarHBondContact O-CD2 3.36Å; F31-K33 PolarHBondContact O-N 3.43Å
32P83.9Confident76.7Confident89 Ų89127.5 Ų127.558%0.57866%0.663SS**  trans-63.2132.2172.827.8-33.6000109.5G34 V36P32-G34 PolarHBondContact O-N 3.04Å; P32-V36 HydrophobicContact CB-CG2 3.75Å
33K85.4Confident78.6Confident203 Ų203126.6 Ų126.688%0.88367%0.666SS**SBendtrans-69.8-10.4-177.9-64.1-179.7179.9176.80113.8F31F31-K33 PolarHBondContact O-N 3.43Å
34G84.7Confident80.3Confident48 Ų48125.5 Ų125.550%0.49566%0.66SS.*SBendtrans-150.9172.5179.400000110.3P32 V36P32-G34 PolarHBondContact O-N 3.04Å; G34-V36 PolarHBondContact O-N 2.98Å
35S84.3Confident82.1Confident102 Ų102117 Ų11771%0.71362%0.624SS**  trans-65.4117.4178.758.60000111.1
36V83.3Confident83.7Confident101 Ų101115 Ų11561%0.61261%0.609SS**  trans-101.287.4173.1-175.80000107.5P32 G34P32-V36 HydrophobicContact CB-CG2 3.75Å; G34-V36 PolarHBondContact O-N 2.98Å
37W84.8Confident85.1Confident229 Ų229117.3 Ų117.387%0.86762%0.622SS**  trans-106.7135.5168.8-56.6102.3000108.2
38R84.7Confident86.4Confident218 Ų218117.2 Ų117.282%0.82362%0.618SS**  trans-130137172-68.5-166.1-80.9-153.6-0.2108.2
39E89.6Confident87.5Confident197 Ų197115.2 Ų115.292%0.92161%0.611SS**  trans-70.9131.9170.4-170.6164.1-160.800108.3
40I90.4Very high88.2Confident60 Ų60118.2 Ų118.231%0.30861%0.611SS.*  trans-90.6122.8-178.3-58.4179.9000107.2K42 L45 Q85 A88I40-K42 PolarHBondContact O-N 3.38Å; I40-L45 HydrophobicContact CG2-CD1 4.27Å; I40-L45 HydrophobicContact CG2-CD2 3.98Å; I40-L45 HydrophobicContact CG2-CG 4.43Å; I40-Q85 HydrophobicContact CD1-CB 3.69Å; I40-Q85 HydrophobicContact CD1-CG 4.03Å; I40-Q85 HydrophobicContact CG2-CG 4.47Å; I40-A88 HydrophobicContact CG2-CB 4.09Å
41D91.4Very high88.9Confident97 Ų97114 Ų11452%0.51958%0.584SS.*  trans-69104.2174.5-179.18.8000109.7D43 S44D41-D43 PolarHBondContact O-N 3.36Å; D41-D43 PolarHBondContact OD1-N 3.21Å; D41-D43 VanDerWaalsContact OD1-N 3.11Å; D41-S44 PolarHBondContact O-N 2.98Å; D41-S44 PolarHBondContact O-OG 2.91Å
42K89.7Confident89.5Confident138 Ų138112.2 Ų112.260%0.658%0.581SS**G310 helixtrans-66.4-26.8-177.4-65-173.4-179.9-172.60112.7I40 S44 L45I40-K42 PolarHBondContact O-N 3.38Å; K42-S44 PolarHBondContact O-N 3.48Å; K42-L45 WeakPolarHBondContact O-CB 3.39Å; K42-L45 PolarHBondContact O-N 3.01Å
43D90.5Very high89.9Confident155 Ų155114.5 Ų114.583%0.82959%0.588SS**G310 helixtrans-74.4-20.9-178.3-63.5-29.3000111.5D41D41-D43 PolarHBondContact O-N 3.36Å; D41-D43 PolarHBondContact OD1-N 3.21Å; D41-D43 VanDerWaalsContact OD1-N 3.11Å
44S90.9Very high90.3Very high78 Ų78110.7 Ų110.755%0.54558%0.578SS.*G310 helixtrans-82.1-13174.876.70000114.1D41 K42D41-S44 PolarHBondContact O-N 2.98Å; D41-S44 PolarHBondContact O-OG 2.91Å; K42-S44 PolarHBondContact O-N 3.48Å
45L92.5Very high90.8Very high29 Ų29111.5 Ų111.515%0.15257%0.57CS.*SBendtrans-76151.9-174.3-61.5-176.3000111.7I40 K42 Q85I40-L45 HydrophobicContact CG2-CD1 4.27Å; I40-L45 HydrophobicContact CG2-CD2 3.98Å; I40-L45 HydrophobicContact CG2-CG 4.43Å; K42-L45 WeakPolarHBondContact O-CB 3.39Å; K42-L45 PolarHBondContact O-N 3.01Å; L45-Q85 HydrophobicContact CD1-CG 4.06Å
46P94.7Very high91.2Very high48 Ų48107.6 Ų107.631%0.31254%0.541SS..PPolyproline II helixtrans-60142.317423.3-31.2000110.6N84P46-N84 HydrophobicContact CG-CB 4.05Å; P46-N84 PolarHBondContact O-ND2 3.23Å
47P93.4Very high91.6Very high117 Ų117105.6 Ų105.676%0.7653%0.525SS*.PPolyproline II helixtrans-64.6154179.328.5-35.1000110.6
48L93.8Very high92.1Very high81 Ų8198.4 Ų98.442%0.42450%0.503SS..PPolyproline II helixtrans-63.1135.4174.3-67.1176.9000110.3I80 E81L48-I80 HydrophobicContact CD2-CB 4.17Å; L48-I80 HydrophobicContact CD2-CG2 3.83Å; L48-E81 HydrophobicContact CD2-CB 4.02Å
49P92.2Very high92.5Very high63 Ų6390.5 Ų90.541%0.40948%0.477SS..PPolyproline II helixtrans-66149.5175.429-34.1000110.3L51 I80P49-L51 PolarHBondContact O-N 3.45Å; P49-I80 HydrophobicContact CG-CD1 4.04Å; P49-I80 HydrophobicContact CG-CG2 4.24Å
50K93.4Very high92.7Very high171 Ų17183.7 Ų83.774%0.74345%0.445SS*.PPolyproline II helixtrans-73.4124.4167.7-66.5-176-178.5179.50108.3D52K50-D52 VanDerWaalsContact C-N 3.35Å; K50-D52 PolarHBondContact O-N 2.83Å
51L93.2Very high92.8Very high30 Ų3086.4 Ų86.416%0.15746%0.457CS..  trans-89.479.2177.1-61.1-179.9000108.4P49 L55 L56 L76 Q77 I80P49-L51 PolarHBondContact O-N 3.45Å; L51-L55 HydrophobicContact CD2-CD2 4.07Å; L51-L56 HydrophobicContact CB-CD1 4.35Å; L51-L56 HydrophobicContact CB-CD2 4.11Å; L51-L56 HydrophobicContact CB-CG 4.15Å; L51-L56 HydrophobicContact CD1-CD2 4.36Å; L51-L76 HydrophobicContact CD1-CD2 3.93Å; L51-L76 HydrophobicContact CD1-CG 4.31Å; L51-L76 HydrophobicContact CD2-CD2 4.46Å; L51-Q77 HydrophobicContact CD1-CG 3.78Å; L51-I80 HydrophobicContact CD2-CD1 4.37Å
52D93.1Very high92.9Very high102 Ų10288.6 Ų88.655%0.54546%0.463SS..  trans-68.6153.5175.4-59.9-28000110.1K50 D54 L55 L56K50-D52 VanDerWaalsContact C-N 3.35Å; K50-D52 PolarHBondContact O-N 2.83Å; D52-D54 PolarHBondContact O-N 3.29Å; D52-L55 WeakPolarHBondContact O-CB 3.39Å; D52-L55 PolarHBondContact O-N 2.91Å; D52-L56 PolarHBondContact O-N 2.62Å
53D92.8Very high93Very high137 Ų13784.8 Ų84.873%0.73345%0.454SS*.Hα-helixtrans-57.5-37.1-175.8-62.4-25.8000112.6L56 H57D53-L56 PolarHBondContact O-N 3.25Å; D53-H57 WeakPolarHBondContact O-CB 3.44Å; D53-H57 PolarHBondContact O-N 3.32Å
54D93.6Very high93.1Very high124 Ų12485 Ų8566%0.66345%0.454SS*.Hα-helixtrans-65.8-37.2176.3-70.5-30.3000112.3D52 L58D52-D54 PolarHBondContact O-N 3.29Å; D54-L58 WeakPolarHBondContact O-CB 3.36Å; D54-L58 PolarHBondContact O-N 2.82Å; D54-L58 VanDerWaalsContact O-N 3.07Å
55L94Very high93.1Very high65 Ų6585 Ų8534%0.3445%0.451SS..Hα-helixtrans-70.6-41.9176.3176.262.2000110.7L51 D52 L58 L59L51-L55 HydrophobicContact CD2-CD2 4.07Å; D52-L55 WeakPolarHBondContact O-CB 3.39Å; D52-L55 PolarHBondContact O-N 2.91Å; L55-L58 PolarHBondContact O-N 3.44Å; L55-L59 HydrophobicContact CD1-CD1 4.47Å; L55-L59 HydrophobicContact CD1-CG 4.39Å; L55-L59 HydrophobicContact CG-CD1 4.25Å; L55-L59 VanDerWaalsContact O-CG 3.31Å; L55-L59 WeakPolarHBondContact O-CG 3.4Å; L55-L59 PolarHBondContact O-N 3.01Å
56L93.9Very high92.9Very high20 Ų2089.5 Ų89.511%0.10547%0.466CS..Hα-helixtrans-61.1-48.1175.8-74172.5000110.7L51 D52 D53 L58 L59 E60 F67 L73 L76L51-L56 HydrophobicContact CB-CD1 4.35Å; L51-L56 HydrophobicContact CB-CD2 4.11Å; L51-L56 HydrophobicContact CB-CG 4.15Å; L51-L56 HydrophobicContact CD1-CD2 4.36Å; D52-L56 PolarHBondContact O-N 2.62Å; D53-L56 PolarHBondContact O-N 3.25Å; L56-L58 VanDerWaalsContact C-N 3.31Å; L56-L58 PolarHBondContact O-N 3.38Å; L56-L59 CarbonylContact O-C 3.56Å; L56-L59 WeakPolarHBondContact O-CA 3.32Å; L56-L59 WeakPolarHBondContact O-CB 3.46Å; L56-L59 PolarHBondContact O-N 3.11Å; L56-E60 WeakPolarHBondContact O-CG 3.46Å; L56-E60 PolarHBondContact O-N 2.98Å; L56-F67 HydrophobicContact CD2-CB 4.26Å; L56-L73 HydrophobicContact CD1-CD2 3.71Å; L56-L73 HydrophobicContact CD2-CD2 3.41Å; L56-L73 VanDerWaalsContact CD2-CD2 3.41Å; L56-L73 HydrophobicContact CG-CD2 4.22Å; L56-L76 HydrophobicContact CD2-CD2 4.23Å
57H91.8Very high92.7Very high59 Ų5988.7 Ų88.727%0.27346%0.458SS..Hα-helixtrans-57.7-44.1177.2-173.457.2000112.1D53 L59 E60 E61D53-H57 WeakPolarHBondContact O-CB 3.44Å; D53-H57 PolarHBondContact O-N 3.32Å; H57-L59 VanDerWaalsContact C-N 3.33Å; H57-L59 PolarHBondContact O-N 3.31Å; H57-E60 WeakPolarHBondContact O-CB 3.44Å; H57-E60 PolarHBondContact O-N 2.98Å; H57-E61 IonicContact CE1-OE1 3.97Å; H57-E61 IonicContact NE2-OE1 3.83Å; H57-E61 WeakPolarHBondContact O-CG 3.31Å; H57-E61 PolarHBondContact O-N 3.47Å
58L93.7Very high92.5Very high78 Ų7888.1 Ų88.141%0.40845%0.448SS..Hα-helixtrans-60.9-42.2174.6179.964.5000112.1D54 L55 L56 E60 E61 Q62D54-L58 WeakPolarHBondContact O-CB 3.36Å; D54-L58 PolarHBondContact O-N 2.82Å; D54-L58 VanDerWaalsContact O-N 3.07Å; L55-L58 PolarHBondContact O-N 3.44Å; L56-L58 VanDerWaalsContact C-N 3.31Å; L56-L58 PolarHBondContact O-N 3.38Å; L58-E60 VanDerWaalsContact C-N 3.34Å; L58-E61 PolarHBondContact O-N 3.33Å; L58-Q62 HydrophobicContact CD1-CG 4.29Å; L58-Q62 WeakPolarHBondContact O-CB 3.45Å; L58-Q62 VanDerWaalsContact O-CG 3.32Å; L58-Q62 WeakPolarHBondContact O-CG 3.48Å; L58-Q62 PolarHBondContact O-N 2.95Å
59L94.3Very high92.3Very high51 Ų5188.6 Ų88.627%0.26745%0.451SS..Hα-helixtrans-65.4-37.6176.5-71.9173.3000111.6L55 L56 H57 Q62 S63 F67 L76L55-L59 HydrophobicContact CD1-CD1 4.47Å; L55-L59 HydrophobicContact CD1-CG 4.39Å; L55-L59 HydrophobicContact CG-CD1 4.25Å; L55-L59 VanDerWaalsContact O-CG 3.31Å; L55-L59 WeakPolarHBondContact O-CG 3.4Å; L55-L59 PolarHBondContact O-N 3.01Å; L56-L59 CarbonylContact O-C 3.56Å; L56-L59 WeakPolarHBondContact O-CA 3.32Å; L56-L59 WeakPolarHBondContact O-CB 3.46Å; L56-L59 PolarHBondContact O-N 3.11Å; H57-L59 VanDerWaalsContact C-N 3.33Å; H57-L59 PolarHBondContact O-N 3.31Å; L59-Q62 PolarHBondContact O-N 3.22Å; L59-S63 VanDerWaalsContact O-CB 3.25Å; L59-S63 WeakPolarHBondContact O-CB 3.49Å; L59-S63 PolarHBondContact O-N 2.98Å; L59-S63 PolarHBondContact O-OG 3.39Å; L59-F67 HydrophobicContact CB-CD2 4.28Å; L59-F67 HydrophobicContact CB-CE2 3.82Å; L59-L76 HydrophobicContact CD1-CD2 4.16Å
60E93.3Very high92.4Very high54 Ų5494.1 Ų94.125%0.25247%0.469SS..Hα-helixtrans-62.5-45.2174.7-66-175.6141.900111.2L56 H57 L58 L64 V65 F67L56-E60 WeakPolarHBondContact O-CG 3.46Å; L56-E60 PolarHBondContact O-N 2.98Å; H57-E60 WeakPolarHBondContact O-CB 3.44Å; H57-E60 PolarHBondContact O-N 2.98Å; L58-E60 VanDerWaalsContact C-N 3.34Å; E60-L64 WeakPolarHBondContact O-CA 3.25Å; E60-L64 PolarHBondContact O-N 3.4Å; E60-V65 VanDerWaalsContact CA-O 3.3Å; E60-V65 WeakPolarHBondContact CA-O 3.46Å; E60-V65 WeakPolarHBondContact CG-O 3.32Å; E60-F67 HydrophobicContact CB-CD2 4.5Å; E60-F67 HydrophobicContact CG-CB 4.2Å; E60-F67 HydrophobicContact CG-CD2 3.51Å; E60-F67 HydrophobicContact CG-CE2 4.33Å; E60-F67 HydrophobicContact CG-CG 4.27Å; E60-F67 PolarHBondContact OE1-N 2.99Å
61E91.7Very high92.5Very high118 Ų11887.9 Ų87.955%0.55145%0.449SS*.Hα-helixtrans-64-42178-71.7-171.915400112.4H57 L58 L64H57-E61 IonicContact CE1-OE1 3.97Å; H57-E61 IonicContact NE2-OE1 3.83Å; H57-E61 WeakPolarHBondContact O-CG 3.31Å; H57-E61 PolarHBondContact O-N 3.47Å; L58-E61 PolarHBondContact O-N 3.33Å; E61-L64 WeakPolarHBondContact O-CD2 3.46Å
62Q93.6Very high92.5Very high142 Ų14287.6 Ų87.666%0.66445%0.451SS*.Hα-helixtrans-75.4-36.9-178-72.3-174.4-39.600113.2L58 L59L58-Q62 HydrophobicContact CD1-CG 4.29Å; L58-Q62 WeakPolarHBondContact O-CB 3.45Å; L58-Q62 VanDerWaalsContact O-CG 3.32Å; L58-Q62 WeakPolarHBondContact O-CG 3.48Å; L58-Q62 PolarHBondContact O-N 2.95Å; L59-Q62 PolarHBondContact O-N 3.22Å
63S93.2Very high92.5Very high58 Ų5885 Ų8541%0.40644%0.437SS..Hα-helixtrans-90.9-17.2-178.366.80000113.2L59 V65L59-S63 VanDerWaalsContact O-CB 3.25Å; L59-S63 WeakPolarHBondContact O-CB 3.49Å; L59-S63 PolarHBondContact O-N 2.98Å; L59-S63 PolarHBondContact O-OG 3.39Å; S63-V65 PolarHBondContact O-N 3.14Å; S63-V65 WeakPolarHBondContact OG-CB 3.3Å; S63-V65 PolarHBondContact OG-N 3.17Å
64L91.3Very high92.6Very high159 Ų15985 Ų8583%0.83243%0.427SS*.  trans55.528-167.7-53.7176.1000112.6E60 E61E60-L64 WeakPolarHBondContact O-CA 3.25Å; E60-L64 PolarHBondContact O-N 3.4Å; E61-L64 WeakPolarHBondContact O-CD2 3.46Å
65V91.2Very high92.7Very high78 Ų7884.5 Ų84.547%0.47342%0.421SS..  trans-115.4133.4177.8179.80000108.8E60 S63 F67E60-V65 VanDerWaalsContact CA-O 3.3Å; E60-V65 WeakPolarHBondContact CA-O 3.46Å; E60-V65 WeakPolarHBondContact CG-O 3.32Å; S63-V65 PolarHBondContact O-N 3.14Å; S63-V65 WeakPolarHBondContact OG-CB 3.3Å; S63-V65 PolarHBondContact OG-N 3.17Å; V65-F67 HydrophobicContact CB-CZ 4.42Å; V65-F67 HydrophobicContact CG1-CE1 4.4Å; V65-F67 HydrophobicContact CG1-CZ 4.37Å
66R89.5Confident92.8Very high125 Ų12583.1 Ų83.147%0.47241%0.413SS..  trans-80137.5177.4-60.2174.363.7-153.6-2.2111.1D68R66-D68 WeakPolarHBondContact CB-OD1 3.44Å; R66-D68 IonicContact CZ-OD1 3.31Å; R66-D68 IonicContact CZ-OD2 3.84Å; R66-D68 VanDerWaalsContact CZ-OD2 3.31Å; R66-D68 IonicContact NE-OD1 3.87Å; R66-D68 IonicContact NE-OD2 3.55Å; R66-D68 IonicContact NH2-OD1 2.63Å; R66-D68 IonicContact NH2-OD2 3.76Å; R66-D68 PolarHBondContact NH2-OD2 3.36Å
67F90Very high92.9Very high31 Ų3186.1 Ų86.114%0.13643%0.427CS..  trans-116.322.5178.4-66.1-64.3000112.7L56 L59 E60 V65 D69 A72 L73 L76L56-F67 HydrophobicContact CD2-CB 4.26Å; L59-F67 HydrophobicContact CB-CD2 4.28Å; L59-F67 HydrophobicContact CB-CE2 3.82Å; E60-F67 HydrophobicContact CB-CD2 4.5Å; E60-F67 HydrophobicContact CG-CB 4.2Å; E60-F67 HydrophobicContact CG-CD2 3.51Å; E60-F67 HydrophobicContact CG-CE2 4.33Å; E60-F67 HydrophobicContact CG-CG 4.27Å; E60-F67 PolarHBondContact OE1-N 2.99Å; V65-F67 HydrophobicContact CB-CZ 4.42Å; V65-F67 HydrophobicContact CG1-CE1 4.4Å; V65-F67 HydrophobicContact CG1-CZ 4.37Å; F67-D69 VanDerWaalsContact C-N 3.26Å; F67-D69 PolarHBondContact O-N 3.28Å; F67-A72 HydrophobicContact CD1-CB 4.21Å; F67-L73 HydrophobicContact CB-CD2 4.07Å; F67-L76 HydrophobicContact CD1-CD2 4.32Å; F67-L76 HydrophobicContact CE1-CD2 4.14Å; F67-L76 HydrophobicContact CZ-CD2 4.43Å
68D88Confident93.1Very high104 Ų10487.6 Ų87.656%0.55643%0.432SS*.  trans-71.8-17.7178.762.1-40.5000113.8R66R66-D68 WeakPolarHBondContact CB-OD1 3.44Å; R66-D68 IonicContact CZ-OD1 3.31Å; R66-D68 IonicContact CZ-OD2 3.84Å; R66-D68 VanDerWaalsContact CZ-OD2 3.31Å; R66-D68 IonicContact NE-OD1 3.87Å; R66-D68 IonicContact NE-OD2 3.55Å; R66-D68 IonicContact NH2-OD1 2.63Å; R66-D68 IonicContact NH2-OD2 3.76Å; R66-D68 PolarHBondContact NH2-OD2 3.36Å
69D91.2Very high93.2Very high92 Ų9286.6 Ų86.649%0.49244%0.435SS..SBendtrans-87.3136.2175.5-17410.8000112.5F67 A71 A72 L73F67-D69 VanDerWaalsContact C-N 3.26Å; F67-D69 PolarHBondContact O-N 3.28Å; D69-A71 PolarHBondContact O-N 2.85Å; D69-A71 PolarHBondContact OD1-N 3.48Å; D69-A71 VanDerWaalsContact OD1-N 3.13Å; D69-A71 WeakPolarHBondContact OD2-CB 3.45Å; D69-A72 HydrophobicContact CB-CB 4.16Å; D69-A72 WeakPolarHBondContact O-CB 3.18Å; D69-A72 PolarHBondContact O-N 2.92Å; D69-L73 PolarHBondContact O-N 3.26Å; D69-L73 VanDerWaalsContact O-N 3.09Å
70K93.4Very high93.3Very high178 Ų17885.9 Ų85.977%0.77443%0.432SS*.Hα-helixtrans-59.2-34.2173.4-65.7-178.1-178.7178.20112.1W74K70-W74 WeakPolarHBondContact O-CB 3.41Å; K70-W74 PolarHBondContact O-N 2.99Å
71A94.9Very high93.4Very high41 Ų4186 Ų8634%0.33943%0.432SS..Hα-helixtrans-67.9-37.8176.300000111.5D69 W74 H75D69-A71 PolarHBondContact O-N 2.85Å; D69-A71 PolarHBondContact OD1-N 3.48Å; D69-A71 VanDerWaalsContact OD1-N 3.13Å; D69-A71 WeakPolarHBondContact OD2-CB 3.45Å; A71-W74 PolarHBondContact O-N 2.95Å; A71-H75 PolarHBondContact O-N 2.86Å; A71-H75 PolarHBondContact O-ND1 3.14Å; A71-H75 VanDerWaalsContact O-ND1 3.11Å
72A93.2Very high93.6Very high24 Ų2488.5 Ų88.520%0.19844%0.437CS..Hα-helixtrans-62.6-46175.400000111.3F67 D69 W74 H75 L76F67-A72 HydrophobicContact CD1-CB 4.21Å; D69-A72 HydrophobicContact CB-CB 4.16Å; D69-A72 WeakPolarHBondContact O-CB 3.18Å; D69-A72 PolarHBondContact O-N 2.92Å; A72-W74 PolarHBondContact O-N 3.29Å; A72-H75 PolarHBondContact O-N 3.29Å; A72-L76 WeakPolarHBondContact O-CB 3.37Å; A72-L76 PolarHBondContact O-N 3.04Å
73L94Very high93.7Very high47 Ų4783.9 Ų83.925%0.24642%0.424CS..Hα-helixtrans-61.7-42.2175.6-66.8176.6000112.6L56 F67 D69 L76 Q77L56-L73 HydrophobicContact CD1-CD2 3.71Å; L56-L73 HydrophobicContact CD2-CD2 3.41Å; L56-L73 VanDerWaalsContact CD2-CD2 3.41Å; L56-L73 HydrophobicContact CG-CD2 4.22Å; F67-L73 HydrophobicContact CB-CD2 4.07Å; D69-L73 PolarHBondContact O-N 3.26Å; D69-L73 VanDerWaalsContact O-N 3.09Å; L73-L76 PolarHBondContact O-N 3.01Å; L73-Q77 WeakPolarHBondContact O-CG 3.34Å; L73-Q77 PolarHBondContact O-N 2.95Å
74W95Very high93.9Very high137 Ų13782.1 Ų82.152%0.51941%0.41SS..Hα-helixtrans-62.3-44.5176.7179.684.4000112K70 A71 A72 Q77 K78K70-W74 WeakPolarHBondContact O-CB 3.41Å; K70-W74 PolarHBondContact O-N 2.99Å; A71-W74 PolarHBondContact O-N 2.95Å; A72-W74 PolarHBondContact O-N 3.29Å; W74-Q77 PolarHBondContact O-N 2.69Å; W74-K78 HydrophobicContact CD2-CG 4.13Å; W74-K78 HydrophobicContact CE3-CG 4.44Å; W74-K78 HydrophobicContact CH2-CG 4.13Å; W74-K78 HydrophobicContact CZ2-CD 4.2Å; W74-K78 HydrophobicContact CZ2-CG 3.8Å; W74-K78 HydrophobicContact CZ3-CG 4.44Å; W74-K78 WeakPolarHBondContact O-CG 3.28Å; W74-K78 PolarHBondContact O-N 2.87Å
75H95.5Very high94Very high114 Ų11477.2 Ų77.253%0.52838%0.383SS..Hα-helixtrans-62.6-41.9175.8-71.6138.4000112A71 A72 K78 A79A71-H75 PolarHBondContact O-N 2.86Å; A71-H75 PolarHBondContact O-ND1 3.14Å; A71-H75 VanDerWaalsContact O-ND1 3.11Å; A72-H75 PolarHBondContact O-N 3.29Å; H75-K78 PolarHBondContact O-N 3.34Å; H75-A79 WeakPolarHBondContact O-CB 3.32Å; H75-A79 PolarHBondContact O-N 3.17Å
76L95.5Very high94.1Very high36 Ų3679.6 Ų79.619%0.18839%0.392CS..Hα-helixtrans-60.5-47.1176.9178.859.6000111.1L51 L56 L59 F67 A72 L73 K78 A79 I80L51-L76 HydrophobicContact CD1-CD2 3.93Å; L51-L76 HydrophobicContact CD1-CG 4.31Å; L51-L76 HydrophobicContact CD2-CD2 4.46Å; L56-L76 HydrophobicContact CD2-CD2 4.23Å; L59-L76 HydrophobicContact CD1-CD2 4.16Å; F67-L76 HydrophobicContact CD1-CD2 4.32Å; F67-L76 HydrophobicContact CE1-CD2 4.14Å; F67-L76 HydrophobicContact CZ-CD2 4.43Å; A72-L76 WeakPolarHBondContact O-CB 3.37Å; A72-L76 PolarHBondContact O-N 3.04Å; L73-L76 PolarHBondContact O-N 3.01Å; L76-K78 VanDerWaalsContact C-N 3.32Å; L76-K78 PolarHBondContact O-N 3.37Å; L76-A79 PolarHBondContact O-N 2.65Å; L76-I80 HydrophobicContact CD1-CD1 4.27Å; L76-I80 HydrophobicContact CG-CD1 4.18Å; L76-I80 WeakPolarHBondContact O-CG1 3.38Å; L76-I80 PolarHBondContact O-N 3.35Å
77Q95.8Very high94.2Very high83 Ų8380.2 Ų80.239%0.38840%0.4SS..Hα-helixtrans-60.4-41.1176.2-72.5176.6-18.800112.2L51 L73 W74 I80 E81L51-Q77 HydrophobicContact CD1-CG 3.78Å; L73-Q77 WeakPolarHBondContact O-CG 3.34Å; L73-Q77 PolarHBondContact O-N 2.95Å; W74-Q77 PolarHBondContact O-N 2.69Å; Q77-I80 PolarHBondContact O-N 3.28Å; Q77-E81 PolarHBondContact O-N 3.45Å
78K96.1Very high94.3Very high89 Ų8981.5 Ų81.539%0.38742%0.417SS..Hα-helixtrans-67.1-36.7176.4-73.6-71164.5-158.60113W74 H75 L76 E81 Y82W74-K78 HydrophobicContact CD2-CG 4.13Å; W74-K78 HydrophobicContact CE3-CG 4.44Å; W74-K78 HydrophobicContact CH2-CG 4.13Å; W74-K78 HydrophobicContact CZ2-CD 4.2Å; W74-K78 HydrophobicContact CZ2-CG 3.8Å; W74-K78 HydrophobicContact CZ3-CG 4.44Å; W74-K78 WeakPolarHBondContact O-CG 3.28Å; W74-K78 PolarHBondContact O-N 2.87Å; H75-K78 PolarHBondContact O-N 3.34Å; L76-K78 VanDerWaalsContact C-N 3.32Å; L76-K78 PolarHBondContact O-N 3.37Å; K78-E81 IonicContact NZ-OE1 3.99Å; K78-E81 IonicContact NZ-OE2 2.69Å; K78-E81 PolarHBondContact NZ-OE2 2.95Å; K78-E81 PolarHBondContact O-N 3.41Å; K78-Y82 WeakPolarHBondContact O-CB 3.44Å; K78-Y82 PolarHBondContact O-N 3.27Å
79A96.5Very high94.4Very high57 Ų5780.6 Ų80.647%0.47141%0.414SS..Hα-helixtrans-64.9-41.3174.500000111.5H75 L76 Y82 A83H75-A79 WeakPolarHBondContact O-CB 3.32Å; H75-A79 PolarHBondContact O-N 3.17Å; L76-A79 PolarHBondContact O-N 2.65Å; A79-Y82 PolarHBondContact O-N 3.42Å; A79-A83 WeakPolarHBondContact O-CB 3.38Å; A79-A83 PolarHBondContact O-N 3.5Å
80I96.4Very high94.4Very high37 Ų3781.9 Ų81.919%0.1942%0.421CS..Hα-helixtrans-65.2-46.1174.8-62.5164.3000110.7L48 P49 L51 L76 Q77 Y82 A83 N84L48-I80 HydrophobicContact CD2-CB 4.17Å; L48-I80 HydrophobicContact CD2-CG2 3.83Å; P49-I80 HydrophobicContact CG-CD1 4.04Å; P49-I80 HydrophobicContact CG-CG2 4.24Å; L51-I80 HydrophobicContact CD2-CD1 4.37Å; L76-I80 HydrophobicContact CD1-CD1 4.27Å; L76-I80 HydrophobicContact CG-CD1 4.18Å; L76-I80 WeakPolarHBondContact O-CG1 3.38Å; L76-I80 PolarHBondContact O-N 3.35Å; Q77-I80 PolarHBondContact O-N 3.28Å; I80-Y82 PolarHBondContact O-N 3.28Å; I80-A83 PolarHBondContact O-N 3.08Å; I80-A83 VanDerWaalsContact O-N 3.17Å; I80-N84 WeakPolarHBondContact O-CB 3.5Å; I80-N84 VanDerWaalsContact O-CG 3.23Å; I80-N84 PolarHBondContact O-N 3.06Å; I80-N84 PolarHBondContact O-OD1 3.17Å
81E95.3Very high94.4Very high57 Ų5777.9 Ų77.927%0.26641%0.412SS..Hα-helixtrans-55.9-41.3175.3-170.3-173.5162.500111.5L48 Q77 K78L48-E81 HydrophobicContact CD2-CB 4.02Å; Q77-E81 PolarHBondContact O-N 3.45Å; K78-E81 IonicContact NZ-OE1 3.99Å; K78-E81 IonicContact NZ-OE2 2.69Å; K78-E81 PolarHBondContact NZ-OE2 2.95Å; K78-E81 PolarHBondContact O-N 3.41Å
82Y95.7Very high94.4Very high169 Ų16981.7 Ų81.766%0.66343%0.427SS*.Hα-helixtrans-67.9-45.5176.7-176.7-102000112.1K78 A79 I80 N84 Q85K78-Y82 WeakPolarHBondContact O-CB 3.44Å; K78-Y82 PolarHBondContact O-N 3.27Å; A79-Y82 PolarHBondContact O-N 3.42Å; I80-Y82 PolarHBondContact O-N 3.28Å; Y82-N84 VanDerWaalsContact C-N 3.3Å; Y82-N84 PolarHBondContact O-N 3.35Å; Y82-Q85 VanDerWaalsContact O-CB 3.25Å; Y82-Q85 WeakPolarHBondContact O-CB 3.38Å; Y82-Q85 WeakPolarHBondContact O-CG 3.46Å; Y82-Q85 PolarHBondContact O-N 3.18Å
83A96.7Very high94.5Very high45 Ų4588.8 Ų88.837%0.37246%0.461SS..Hα-helixtrans-64.9-33.1178.400000112.6A79 I80 Q85 L86A79-A83 WeakPolarHBondContact O-CB 3.38Å; A79-A83 PolarHBondContact O-N 3.5Å; I80-A83 PolarHBondContact O-N 3.08Å; I80-A83 VanDerWaalsContact O-N 3.17Å; A83-Q85 PolarHBondContact O-N 3.41Å; A83-Q85 VanDerWaalsContact O-N 3.08Å; A83-L86 VanDerWaalsContact O-CB 3.28Å; A83-L86 WeakPolarHBondContact O-CB 3.49Å; A83-L86 WeakPolarHBondContact O-CG 3.47Å; A83-L86 PolarHBondContact O-N 3.11Å
84N96.1Very high94.5Very high21 Ų2191.4 Ų91.411%0.11248%0.479CS..Hα-helixtrans-58.5-25.7178.6-77.7-0.8000112.7P46 I80 Y82 L86 H87P46-N84 HydrophobicContact CG-CB 4.05Å; P46-N84 PolarHBondContact O-ND2 3.23Å; I80-N84 WeakPolarHBondContact O-CB 3.5Å; I80-N84 VanDerWaalsContact O-CG 3.23Å; I80-N84 PolarHBondContact O-N 3.06Å; I80-N84 PolarHBondContact O-OD1 3.17Å; Y82-N84 VanDerWaalsContact C-N 3.3Å; Y82-N84 PolarHBondContact O-N 3.35Å; N84-L86 PolarHBondContact O-N 3.07Å; N84-L86 VanDerWaalsContact O-N 3.17Å; N84-H87 WeakPolarHBondContact O-CB 3.38Å; N84-H87 PolarHBondContact O-CD2 3.38Å; N84-H87 PolarHBondContact O-N 3.29Å
85Q93.8Very high94.4Very high57 Ų5792 Ų9227%0.26649%0.487SS..G310 helixtrans-58.6-25.7174.6-64.3177.327.100113.2I40 L45 Y82 A83 H87 A88I40-Q85 HydrophobicContact CD1-CB 3.69Å; I40-Q85 HydrophobicContact CD1-CG 4.03Å; I40-Q85 HydrophobicContact CG2-CG 4.47Å; L45-Q85 HydrophobicContact CD1-CG 4.06Å; Y82-Q85 VanDerWaalsContact O-CB 3.25Å; Y82-Q85 WeakPolarHBondContact O-CB 3.38Å; Y82-Q85 WeakPolarHBondContact O-CG 3.46Å; Y82-Q85 PolarHBondContact O-N 3.18Å; A83-Q85 PolarHBondContact O-N 3.41Å; A83-Q85 VanDerWaalsContact O-N 3.08Å; Q85-H87 PolarHBondContact O-N 3.09Å; Q85-A88 WeakPolarHBondContact O-CB 3.39Å; Q85-A88 PolarHBondContact O-N 3.21Å
86L93.2Very high94.3Very high127 Ų12791.8 Ų91.867%0.66550%0.496SS*.G310 helixtrans-65.8-22.8177.2-62.6175.4000112.6A83 N84 A88 V89A83-L86 VanDerWaalsContact O-CB 3.28Å; A83-L86 WeakPolarHBondContact O-CB 3.49Å; A83-L86 WeakPolarHBondContact O-CG 3.47Å; A83-L86 PolarHBondContact O-N 3.11Å; N84-L86 PolarHBondContact O-N 3.07Å; N84-L86 VanDerWaalsContact O-N 3.17Å; L86-A88 PolarHBondContact O-N 3.44Å; L86-V89 WeakPolarHBondContact O-CB 3.39Å; L86-V89 PolarHBondContact O-N 3.3Å; L86-V89 VanDerWaalsContact O-N 3.09Å
87H92.7Very high94.2Very high138 Ų13898.6 Ų98.664%0.63953%0.529SS*.G310 helixtrans-66.7-20.3174.9-74.9-80.5000113.6N84 Q85 V89N84-H87 WeakPolarHBondContact O-CB 3.38Å; N84-H87 PolarHBondContact O-CD2 3.38Å; N84-H87 PolarHBondContact O-N 3.29Å; Q85-H87 PolarHBondContact O-N 3.09Å; H87-V89 PolarHBondContact O-N 2.69Å
88A91Very high94Very high59 Ų59102.6 Ų102.649%0.48854%0.542SS..G310 helixtrans-75.8-9.2174.400000112.7I40 Q85 L86I40-A88 HydrophobicContact CG2-CB 4.09Å; Q85-A88 WeakPolarHBondContact O-CB 3.39Å; Q85-A88 PolarHBondContact O-N 3.21Å; L86-A88 PolarHBondContact O-N 3.44Å
89V90.1Very high93.7Very high84 Ų84104.3 Ų104.351%0.50956%0.56SS.*SBendtrans-89.3118.5177.7-175.40000109L86 H87 T91L86-V89 WeakPolarHBondContact O-CB 3.39Å; L86-V89 PolarHBondContact O-N 3.3Å; L86-V89 VanDerWaalsContact O-N 3.09Å; H87-V89 PolarHBondContact O-N 2.69Å; V89-T91 HydrophobicContact CG1-CG2 4.29Å; V89-T91 PolarHBondContact O-N 2.92Å
90D91.2Very high93.3Very high120 Ų120109 Ų10964%0.64258%0.576SS**  trans-65.9119.2170.9-177.712.5000109.8D92D90-D92 VanDerWaalsContact OD1-CB 3.24Å; D90-D92 WeakPolarHBondContact OD1-CB 3.28Å; D90-D92 PolarHBondContact OD1-N 3.15Å
91T93.3Very high92.8Very high94 Ų94112.5 Ų112.558%0.57760%0.604SS**  trans-118.912.9176.752.50000111.4V89 N93 V94V89-T91 HydrophobicContact CG1-CG2 4.29Å; V89-T91 PolarHBondContact O-N 2.92Å; T91-N93 PolarHBondContact O-N 3.37Å; T91-V94 PolarHBondContact O-N 3.32Å; T91-V94 VanDerWaalsContact O-N 3.1Å
92D95.1Very high92.4Very high121 Ų121115.6 Ų115.665%0.64762%0.622SS**THydrogen-bonded Turntrans-60.5126.8178.1-72.6-20.2000110.2D90 V94D90-D92 VanDerWaalsContact OD1-CB 3.24Å; D90-D92 WeakPolarHBondContact OD1-CB 3.28Å; D90-D92 PolarHBondContact OD1-N 3.15Å; D92-V94 PolarHBondContact O-N 3.27Å
93N94.8Very high91.8Very high173 Ų173115.7 Ų115.793%0.92563%0.634SS**THydrogen-bonded Turntrans64.318.9-177.6-44-77.1000115.3T91T91-N93 PolarHBondContact O-N 3.37Å
94V93.7Very high91.1Very high101 Ų101117.8 Ų117.861%0.61265%0.645SS**PPolyproline II helixtrans-101.5118.6172.5-176.30000109.4T91 D92T91-V94 PolarHBondContact O-N 3.32Å; T91-V94 VanDerWaalsContact O-N 3.1Å; D92-V94 PolarHBondContact O-N 3.27Å
95E93Very high90.3Very high150 Ų150123.2 Ų123.270%0.70168%0.682SS**PPolyproline II helixtrans-72.7137173.3-170.7178.5178.100110.4M97E95-M97 PolarHBondContact O-N 3.29Å
96P94.3Very high89.7Confident109 Ų109126.7 Ų126.771%0.70871%0.707SS**PPolyproline II helixtrans-56.9131.9173.6-25.434.7000111.9Y98P96-Y98 PolarHBondContact O-N 2.93Å
97M92.6Very high89.3Confident180 Ų180129.3 Ų129.389%0.88772%0.716SS**PPolyproline II helixtrans-74.3120.7176.8-174.1-177.870.600110.2E95E95-M97 PolarHBondContact O-N 3.29Å
98Y92.3Very high88.9Confident167 Ų167131.5 Ų131.566%0.65573%0.729SS**  trans-129.6153.4167.166.8-85.9000109.7P96 L100P96-Y98 PolarHBondContact O-N 2.93Å; Y98-L100 HydrophobicContact CD2-CD2 4.44Å; Y98-L100 HydrophobicContact CE2-CD2 4.27Å
99T89.7Confident88.7Confident125 Ų125134 Ų13477%0.76773%0.732SS**  trans-122.5134.1-179.652.90000109.8
100L88.5Confident88.7Confident155 Ų155136.6 Ų136.681%0.81274%0.739SS**PPolyproline II helixtrans-82141.8170.9-59.4177.2000109.6Y98Y98-L100 HydrophobicContact CD2-CD2 4.44Å; Y98-L100 HydrophobicContact CE2-CD2 4.27Å
101S85.8Confident88.7Confident110 Ų110139.6 Ų139.677%0.76974%0.741SS**PPolyproline II helixtrans-90.1143170.6-1700000109.5
102D86.8Confident88.5Confident123 Ų123140.1 Ų140.166%0.65875%0.745SS**PPolyproline II helixtrans-71.8135.5174.6-65-39.2000110.1C104D102-C104 PolarHBondContact O-N 3.35Å
103D83Confident88.4Confident171 Ų171140.2 Ų140.291%0.91474%0.741SS**  trans-78.361.4177.4-76.1-25.7000111.9
104C81.4Confident88.2Confident89 Ų89136 Ų13660%0.60172%0.718SS**PPolyproline II helixtrans-92.5133.1176.1-72.80000111D102 T106D102-C104 PolarHBondContact O-N 3.35Å; C104-T106 PolarHBondContact O-N 3.33Å; C104-T106 VanDerWaalsContact O-N 3.15Å
105P79.7Confident88.2Confident135 Ų135132.3 Ų132.388%0.87770%0.695SS**PPolyproline II helixtrans-63.5121174.426.5-32.7000109.4
106T80.8Confident88.2Confident129 Ų129129.1 Ų129.179%0.79169%0.689SS**PPolyproline II helixtrans-93145.3173.4-57.40000109.3C104C104-T106 PolarHBondContact O-N 3.33Å; C104-T106 VanDerWaalsContact O-N 3.15Å
107E84.7Confident88.1Confident183 Ų183131.1 Ų131.186%0.85569%0.694SS**PPolyproline II helixtrans-62.1136.9174.9-64.3-175.2169.500110.4
108M84.6Confident88.1Confident184 Ų184123.8 Ų123.891%0.90666%0.662SS**PPolyproline II helixtrans-75.2133.9176.8-59.6-169.6-40.600110
109I87.9Confident88Confident110 Ų110121 Ų12156%0.56467%0.673SS**PPolyproline II helixtrans-73.9142.3175.6-60.3166.4000109.5E113 L114I109-E113 HydrophobicContact CG2-CB 3.88Å; I109-E113 HydrophobicContact CG2-CG 3.94Å; I109-L114 HydrophobicContact CG2-CB 4.45Å
110E89.8Confident88Confident139 Ų139118.4 Ų118.465%0.6566%0.657SS**PPolyproline II helixtrans-64.1139.9175.6-67.1-168.9167.200111.1T112 E113 L114E110-T112 PolarHBondContact O-N 3.22Å; E110-T112 VanDerWaalsContact O-N 3.14Å; E110-E113 WeakPolarHBondContact O-CB 3.4Å; E110-E113 PolarHBondContact O-N 2.91Å; E110-L114 PolarHBondContact O-N 3.1Å
111R90.4Very high88.2Confident183 Ų183114.2 Ų114.269%0.69164%0.641SS**Hα-helixtrans-54.5-38.7-177-174.9-168.8-67.8126.9-3.3112.7E113 L114 L115R111-E113 VanDerWaalsContact C-N 3.35Å; R111-L114 PolarHBondContact O-N 2.97Å; R111-L115 HydrophobicContact CG-CD1 3.84Å; R111-L115 HydrophobicContact CG-CG 4.34Å; R111-L115 WeakPolarHBondContact O-CG 3.25Å; R111-L115 PolarHBondContact O-N 3.38Å
112T89.7Confident88.3Confident106 Ų106112.5 Ų112.565%0.6563%0.628SS**Hα-helixtrans-61.4-42.217935.70000112.1E110 S116E110-T112 PolarHBondContact O-N 3.22Å; E110-T112 VanDerWaalsContact O-N 3.14Å; T112-S116 PolarHBondContact O-N 2.9Å
113E92.3Very high88.5Confident122 Ų122115.4 Ų115.457%0.5764%0.638SS**Hα-helixtrans-69-42.2175.6-175.6175-17300110.7I109 E110 R111 L115 S116I109-E113 HydrophobicContact CG2-CB 3.88Å; I109-E113 HydrophobicContact CG2-CG 3.94Å; E110-E113 WeakPolarHBondContact O-CB 3.4Å; E110-E113 PolarHBondContact O-N 2.91Å; R111-E113 VanDerWaalsContact C-N 3.35Å; E113-L115 VanDerWaalsContact C-N 3.33Å; E113-L115 PolarHBondContact O-N 3.13Å; E113-S116 WeakPolarHBondContact O-CB 3.38Å; E113-S116 PolarHBondContact O-N 2.94Å; E113-S116 PolarHBondContact O-OG 2.89Å
114L91.8Very high88.8Confident86 Ų86108.8 Ų108.845%0.4561%0.61SS.*Hα-helixtrans-60.4-39.9178.8-172.2147.2000112.8I109 E110 R111 F126I109-L114 HydrophobicContact CG2-CB 4.45Å; E110-L114 PolarHBondContact O-N 3.1Å; R111-L114 PolarHBondContact O-N 2.97Å; L114-F126 HydrophobicContact CD2-CE2 3.49Å; L114-F126 VanDerWaalsContact CD2-CE2 3.49Å; L114-F126 HydrophobicContact CD2-CZ 3.45Å; L114-F126 VanDerWaalsContact CD2-CZ 3.45Å
115L93.7Very high89.2Confident23 Ų23112.7 Ų112.712%0.1261%0.613CS.*Hα-helixtrans-82.6-11.1179.7-66.7171.7000113.8R111 E113 N117 A118 F126R111-L115 HydrophobicContact CG-CD1 3.84Å; R111-L115 HydrophobicContact CG-CG 4.34Å; R111-L115 WeakPolarHBondContact O-CG 3.25Å; R111-L115 PolarHBondContact O-N 3.38Å; E113-L115 VanDerWaalsContact C-N 3.33Å; E113-L115 PolarHBondContact O-N 3.13Å; L115-N117 PolarHBondContact O-N 3.36Å; L115-N117 VanDerWaalsContact O-N 3.14Å; L115-A118 VanDerWaalsContact O-CB 3.32Å; L115-A118 WeakPolarHBondContact O-CB 3.39Å; L115-A118 PolarHBondContact O-N 3.17Å; L115-F126 HydrophobicContact CD2-CD1 4.2Å; L115-F126 HydrophobicContact CD2-CD2 4.06Å; L115-F126 HydrophobicContact CD2-CE1 4.01Å; L115-F126 HydrophobicContact CD2-CE2 3.86Å; L115-F126 HydrophobicContact CD2-CG 4.23Å; L115-F126 HydrophobicContact CD2-CZ 3.84Å
116S92.9Very high89.8Confident83 Ų83112 Ų11258%0.5860%0.597SS**THydrogen-bonded Turntrans-62.8-22.1-17669.20000113.9T112 E113T112-S116 PolarHBondContact O-N 2.9Å; E113-S116 WeakPolarHBondContact O-CB 3.38Å; E113-S116 PolarHBondContact O-N 2.94Å; E113-S116 PolarHBondContact O-OG 2.89Å
117N92Very high90.3Very high150 Ų150108.9 Ų108.980%0.80258%0.577SS**THydrogen-bonded Turntrans-90-6.6177.7-64.7-41.5000113.6L115L115-N117 PolarHBondContact O-N 3.36Å; L115-N117 VanDerWaalsContact O-N 3.14Å
118A91.8Very high90.5Very high26 Ų26104 Ų10422%0.21557%0.569CS.*  trans-76130.2-179.600000110.7L115 V120 F126L115-A118 VanDerWaalsContact O-CB 3.32Å; L115-A118 WeakPolarHBondContact O-CB 3.39Å; L115-A118 PolarHBondContact O-N 3.17Å; A118-V120 VanDerWaalsContact C-N 3.31Å; A118-V120 PolarHBondContact O-N 3.02Å; A118-F126 HydrophobicContact CB-CD1 3.6Å; A118-F126 HydrophobicContact CB-CE1 3.68Å
119A91.2Very high90.5Very high108 Ų108100.6 Ų100.689%0.89356%0.56SS**SBendtrans-63.3-39.2173.400000111.9
120V90.3Very high90.3Very high72 Ų72101.7 Ų101.744%0.43657%0.574SS.*SBendtrans-135130.4176.3-175.10000108.5A118 V127A118-V120 VanDerWaalsContact C-N 3.31Å; A118-V120 PolarHBondContact O-N 3.02Å; V120-V127 HydrophobicContact CB-CB 4.35Å; V120-V127 HydrophobicContact CG1-CB 3.95Å; V120-V127 HydrophobicContact CG1-CG1 4.4Å; V120-V127 HydrophobicContact CG1-CG2 4.06Å; V120-V127 PolarHBondContact O-N 3.48Å
121S90.9Very high89.5Confident67 Ų6798.3 Ų98.347%0.46958%0.576SS.*EExtended strand (participates in β ladder)trans-131.9149172.260.20000109.6Y125S121-Y125 VanDerWaalsContact CA-O 3.28Å; S121-Y125 WeakPolarHBondContact CA-O 3.45Å; S121-Y125 WeakPolarHBondContact CB-O 3.24Å
122C89.2Confident88.3Confident74 Ų7497.7 Ų97.750%0.559%0.587SS.*EExtended strand (participates in β ladder)trans-141129.1177.6-170.30000108.9G124 Y125 V127C122-G124 PolarHBondContact O-N 3.14Å; C122-Y125 PolarHBondContact N-O 3.07Å; C122-Y125 PolarHBondContact O-N 3.21Å; C122-V127 HydrophobicContact CB-CG2 3.46Å; C122-V127 VanDerWaalsContact CB-CG2 3.46Å
123E90.8Very high87Confident183 Ų18398.4 Ų98.486%0.85559%0.591SS**THydrogen-bonded Turntrans50.530.3177.7-59.9-171.6165.300115.6Y125E123-Y125 HydrophobicContact CB-CD2 4.46Å; E123-Y125 WeakPolarHBondContact O-CD2 3.2Å; E123-Y125 WeakPolarHBondContact O-CE2 3.3Å
124G88.5Confident85.7Confident32 Ų3298.3 Ų98.333%0.3360%0.601SS.*THydrogen-bonded Turntrans83.717.8-179.200000114.8C122C122-G124 PolarHBondContact O-N 3.14Å
125Y90.9Very high84.4Confident171 Ų171100.5 Ų100.567%0.67161%0.612SS**EExtended strand (participates in β ladder)trans-122.5157.2175-60.2-86.4000111.4S121 C122 E123S121-Y125 VanDerWaalsContact CA-O 3.28Å; S121-Y125 WeakPolarHBondContact CA-O 3.45Å; S121-Y125 WeakPolarHBondContact CB-O 3.24Å; C122-Y125 PolarHBondContact N-O 3.07Å; C122-Y125 PolarHBondContact O-N 3.21Å; E123-Y125 HydrophobicContact CB-CD2 4.46Å; E123-Y125 WeakPolarHBondContact O-CD2 3.2Å; E123-Y125 WeakPolarHBondContact O-CE2 3.3Å
126F92.2Very high83.2Confident122 Ų122106.7 Ų106.754%0.53564%0.641SS.*EExtended strand (participates in β ladder)trans-72138166.1-62.8-84.1000109.6L114 L115 A118L114-F126 HydrophobicContact CD2-CE2 3.49Å; L114-F126 VanDerWaalsContact CD2-CE2 3.49Å; L114-F126 HydrophobicContact CD2-CZ 3.45Å; L114-F126 VanDerWaalsContact CD2-CZ 3.45Å; L115-F126 HydrophobicContact CD2-CD1 4.2Å; L115-F126 HydrophobicContact CD2-CD2 4.06Å; L115-F126 HydrophobicContact CD2-CE1 4.01Å; L115-F126 HydrophobicContact CD2-CE2 3.86Å; L115-F126 HydrophobicContact CD2-CG 4.23Å; L115-F126 HydrophobicContact CD2-CZ 3.84Å; A118-F126 HydrophobicContact CB-CD1 3.6Å; A118-F126 HydrophobicContact CB-CE1 3.68Å
127V91.6Very high81.8Confident63 Ų63110 Ų11038%0.38265%0.645SS.*PPolyproline II helixtrans-100.1117.9174.5-178.80000108.3V120 C122V120-V127 HydrophobicContact CB-CB 4.35Å; V120-V127 HydrophobicContact CG1-CB 3.95Å; V120-V127 HydrophobicContact CG1-CG1 4.4Å; V120-V127 HydrophobicContact CG1-CG2 4.06Å; V120-V127 PolarHBondContact O-N 3.48Å; C122-V127 HydrophobicContact CB-CG2 3.46Å; C122-V127 VanDerWaalsContact CB-CG2 3.46Å
128A88.2Confident80.1Confident81 Ų81110 Ų11067%0.66964%0.644SS**PPolyproline II helixtrans-88.4145.6166.600000109.1
129P85.4Confident78.3Confident111 Ų111114.2 Ų114.272%0.72166%0.663SS**PPolyproline II helixtrans-53.4148.6165.6-23.434000110.8G131P129-G131 PolarHBondContact O-N 2.96Å
130P82.6Confident76.5Confident134 Ų134112.4 Ų112.487%0.8764%0.641SS**SBendtrans-55.1131.6173.924-32.7000110.2
131G72.6Confident74.5Confident67 Ų67117.5 Ų117.569%0.69166%0.66SS**PPolyproline II helixtrans-79.6155.1-157.900000117.6P129 V133P129-G131 PolarHBondContact O-N 2.96Å; G131-V133 PolarHBondContact O-N 2.87Å
132N65.3Low72.6Confident170 Ų170119.3 Ų119.391%0.90967%0.668SS**  trans8.487.7160.4-80.741000118.1
133V62.8Low70.6Confident121 Ų121120.7 Ų120.773%0.73367%0.674SS**PPolyproline II helixtrans-86.1130.6148.6-176.90000106.9G131 L135G131-V133 PolarHBondContact O-N 2.87Å; V133-L135 PolarHBondContact O-N 3.05Å; V133-L135 VanDerWaalsContact O-N 3.11Å
134P64.5Low68.7Low120 Ų120119.4 Ų119.478%0.77967%0.673SS**PPolyproline II helixtrans-53.3120.9172.8-22.932.4000109.4E136P134-E136 PolarHBondContact O-N 2.75Å
135L64.7Low67.3Low133 Ų133125.6 Ų125.670%0.69669%0.694SS**PPolyproline II helixtrans-72.3128.9174.5-64.2175.4000107.9V133 V140V133-L135 PolarHBondContact O-N 3.05Å; V133-L135 VanDerWaalsContact O-N 3.11Å; L135-V140 HydrophobicContact CD1-CG2 4.43Å
136E68.3Low65.5Low153 Ų153124.9 Ų124.972%0.71570%0.702SS**PPolyproline II helixtrans-64.4143.7170.2-64.2-163.6-17500109.2P134 N138 D139P134-E136 PolarHBondContact O-N 2.75Å; E136-N138 PolarHBondContact O-N 2.81Å; E136-D139 PolarHBondContact O-N 2.87Å
137K63.8Low63.8Low153 Ų153125.8 Ų125.867%0.66572%0.717SS**THydrogen-bonded Turntrans-57.6-4.5-166-66.1-176.2173.4-169.40116.1
138N57.1Low62.4Low148 Ų148128 Ų12879%0.79174%0.735SS**THydrogen-bonded Turntrans-128.5-2.6-170.8-62.9-45.3000115.8E136E136-N138 PolarHBondContact O-N 2.81Å
139D52.9Low60.7Low115 Ų115131.4 Ų131.462%0.61574%0.742SS**  trans-117.550.4-163.6-65.8-27.1000114.8E136 Q141E136-D139 PolarHBondContact O-N 2.87Å; D139-Q141 PolarHBondContact O-N 3.07Å
140V55.1Low58.7Low70 Ų70131.1 Ų131.142%0.42474%0.741SS.*  trans-96.471.9164.5-169.40000109.5L135 V142L135-V140 HydrophobicContact CD1-CG2 4.43Å; V140-V142 HydrophobicContact CG1-CG2 3.81Å
141Q47.7Very low56.6Low179 Ų179138 Ų13884%0.83676%0.758SS**  trans-97.3100.6154.1-64.3-152.2-3.100107.4D139 T143D139-Q141 PolarHBondContact O-N 3.07Å; Q141-T143 PolarHBondContact O-N 3.46Å
142V51.6Low55.8Low106 Ų106141.6 Ų141.664%0.64276%0.761SS**  trans-71.5114.6177.6-179.10000108.6V140V140-V142 HydrophobicContact CG1-CG2 3.81Å
143T45.6Very low55.3Low102 Ų102140.1 Ų140.163%0.62675%0.753SS**  trans-101130.2165.652.40000108.9Q141 E145Q141-T143 PolarHBondContact O-N 3.46Å; T143-E145 PolarHBondContact O-N 3.31Å
144D51.4Low54.9Low157 Ų157141.2 Ų141.284%0.8475%0.754SS**SBendtrans-70.621.2-169.8-63-54.7000116.3
145E59Low54.3Low162 Ų162142.4 Ų142.476%0.75775%0.753SS**  trans-94.9-10.5-158.6-58.6-141.3145.500117.6T143T143-E145 PolarHBondContact O-N 3.31Å
146D53.4Low53.7Low156 Ų156143 Ų14383%0.83476%0.756SS**THydrogen-bonded Turntrans-93.44.2-165.6-68.4-35.5000117.2S148D146-S148 PolarHBondContact O-N 2.75Å
147V57.4Low52.7Low141 Ų141142.3 Ų142.386%0.85576%0.759SS**THydrogen-bonded Turntrans-87.31.9-170.6-172.70000114.2
148S61Low51.9Low109 Ų109141.6 Ų141.676%0.76277%0.766SS**  trans-87.6-6-164.171.40000118.2D146D146-S148 PolarHBondContact O-N 2.75Å
149N52.9Low51.5Low153 Ų153141.1 Ų141.182%0.81876%0.764SS**  trans-109.627.2-166.3-155.631.2000117.7
150C42.5Very low51.4Low105 Ų105143.3 Ų143.371%0.70978%0.776SS**  trans-115.792.4164.9-830000110.1
151K39.6Very low51.1Low279 Ų279149.9 Ų149.9100%1.21381%0.808SS**  trans-133.40166-123.3-176.1-174.5178.30109.8

Retrieved 151 of 151 residues in 252.2 ms (Link to these results)