G4VGQ0_SCHMA Loading...

Coiled-coil domain-containing protein 86

AlphaFold DB , UniProt , Accession G4VGQ0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 100 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M50.1Low47.6Very low243 Ų243151.8 Ų151.8100%1.19783%0.826SS**  01140-68.4-171.1177.400109.7
2K42.8Very low48.4Very low214 Ų214149.9 Ų149.993%0.9382%0.824SS**  trans-174111.8140.4-103.8-179.7-175.9-177.80107.6
3Q47.1Very low48.7Very low194 Ų194149.1 Ų149.191%0.90782%0.815SS**  trans-77.6149.4176-66.6172.7-3.400109.9
4G44.4Very low49.2Very low67 Ų67154.1 Ų154.169%0.69182%0.816SS**  trans73.7119.7131.800000118.3
5Q54.5Low49.4Very low164 Ų164156.1 Ų156.177%0.76682%0.815SS**  177.685.3109.7-91.2175.648.200108.6K7Q5-K7 PolarHBondContact O-N 3.16Å; Q5-K7 VanDerWaalsContact O-N 3.16Å
6T48.2Very low49.9Very low128 Ų128151.1 Ų151.179%0.78579%0.793SS**  trans-71.897.7158.844.70000107.1D8T6-D8 PolarHBondContact O-N 3.02Å
7K53.1Low50.6Low173 Ų173147.3 Ų147.375%0.75278%0.782SS**  trans-76.487166.1-73.7-174.8179.4177.20107.3Q5 K9Q5-K7 PolarHBondContact O-N 3.16Å; Q5-K7 VanDerWaalsContact O-N 3.16Å; K7-K9 PolarHBondContact O-N 3.11Å; K7-K9 VanDerWaalsContact O-N 3.11Å
8D47.6Very low51Low146 Ų146148.6 Ų148.678%0.78178%0.78SS**  trans-51.8117.1163.2-77-41.3000107.8T6 G10T6-D8 PolarHBondContact O-N 3.02Å; D8-G10 PolarHBondContact O-N 2.75Å
9K49.8Very low51.3Low207 Ų207146.1 Ų146.190%0.977%0.767SS**  trans-62.793.9171.6-66177.9-177.8174.50105.6K7 G11K7-K9 PolarHBondContact O-N 3.11Å; K7-K9 VanDerWaalsContact O-N 3.11Å; K9-G11 VanDerWaalsContact C-N 3.27Å; K9-G11 PolarHBondContact O-N 2.8Å
10G40.1Very low51.9Low70 Ų70142.5 Ų142.572%0.72275%0.749SS**  trans-50.997.1171.600000107.9D8 T12D8-G10 PolarHBondContact O-N 2.75Å; G10-T12 PolarHBondContact O-N 2.85Å
11G46.2Very low52.6Low64 Ų64138.2 Ų138.266%0.6673%0.73SS**  trans-61.3109.7177.700000106.4K9 I13K9-G11 VanDerWaalsContact C-N 3.27Å; K9-G11 PolarHBondContact O-N 2.8Å; G11-I13 PolarHBondContact O-N 2.99Å
12T56.7Low53.5Low129 Ų129133.2 Ų133.279%0.79170%0.702SS**  trans-49.4107.6170.3-54.50000107.1G10 R14G10-T12 PolarHBondContact O-N 2.85Å; T12-R14 VanDerWaalsContact C-N 3.31Å; T12-R14 PolarHBondContact O-N 2.75Å
13I53.1Low54.8Low139 Ų139129.3 Ų129.371%0.71369%0.685SS**  trans-57.7100.4175.6-60.2173.6000105.5G11 K15G11-I13 PolarHBondContact O-N 2.99Å; I13-K15 HydrophobicContact CG2-CG 3.91Å; I13-K15 PolarHBondContact O-N 2.78Å
14R54.6Low55.9Low220 Ų220125.8 Ų125.883%0.8367%0.669SS**  trans-6584.2173.2-87.4-172.9174.8-170.6-0.4107.7T12 T16T12-R14 VanDerWaalsContact C-N 3.31Å; T12-R14 PolarHBondContact O-N 2.75Å; R14-T16 PolarHBondContact O-N 3.02Å
15K53.3Low57.4Low183 Ų183129.8 Ų129.880%0.79667%0.667SS**  trans-77.759.2161.1-67.6-172.3-178.9175.90108.9I13I13-K15 HydrophobicContact CG2-CG 3.91Å; I13-K15 PolarHBondContact O-N 2.78Å
16T57Low58.4Low76 Ų76127.4 Ų127.447%0.46666%0.656SS.*  trans-131.382.1172.558.30000107.8R14R14-T16 PolarHBondContact O-N 3.02Å
17S60.8Low59.8Low87 Ų87126.8 Ų126.861%0.60864%0.644SS**SBendtrans-140.2-32.8166.870.70000111.3N19 S21S17-N19 VanDerWaalsContact C-N 3.33Å; S17-N19 PolarHBondContact O-N 3.46Å; S17-S21 PolarHBondContact O-N 3.13Å; S17-S21 PolarHBondContact O-OG 3.08Å; S17-S21 VanDerWaalsContact O-OG 3.12Å
18K58.2Low61Low171 Ų171122.6 Ų122.674%0.74363%0.63SS**Hα-helixtrans-69-26.4172.5-67-168.8-177.2-176.60113.7S21K18-S21 PolarHBondContact O-OG 3.41Å
19N57.1Low62.8Low100 Ų100119 Ų11954%0.53561%0.614SS.*Hα-helixtrans-81.8-34.6178.4-74.6-8.6000112.6S17 K22 K23S17-N19 VanDerWaalsContact C-N 3.33Å; S17-N19 PolarHBondContact O-N 3.46Å; N19-K22 PolarHBondContact O-N 3.37Å; N19-K23 PolarHBondContact O-N 2.84Å; N19-K23 VanDerWaalsContact O-N 3.08Å
20D62.6Low64.5Low75 Ų75116.1 Ų116.140%0.40160%0.601SS.*Hα-helixtrans-70.9-42.5-179.4-58.5-43.4000111K22 K23 E24D20-K22 VanDerWaalsContact C-N 3.3Å; D20-K22 PolarHBondContact O-N 3.32Å; D20-K23 PolarHBondContact O-N 3.31Å; D20-K23 VanDerWaalsContact O-N 3.13Å; D20-E24 WeakPolarHBondContact O-CG 3.27Å; D20-E24 PolarHBondContact O-N 3.12Å
21S66.4Low66.9Low52 Ų52118.3 Ų118.336%0.36459%0.59SS.*Hα-helixtrans-61.6-33.2174.154.10000113.8S17 K18 K25S17-S21 PolarHBondContact O-N 3.13Å; S17-S21 PolarHBondContact O-OG 3.08Å; S17-S21 VanDerWaalsContact O-OG 3.12Å; K18-S21 PolarHBondContact O-OG 3.41Å; S21-K25 WeakPolarHBondContact O-CB 3.48Å; S21-K25 VanDerWaalsContact O-CG 3.27Å; S21-K25 WeakPolarHBondContact O-CG 3.34Å; S21-K25 PolarHBondContact O-N 3.33Å; S21-K25 VanDerWaalsContact O-N 3.15Å
22K70.5Confident69Low138 Ų138119.9 Ų119.960%0.658%0.584SS**Hα-helixtrans-68.4-45.4171.7-77.6-173.9-179.6-176.70111.6N19 D20 K25 E26N19-K22 PolarHBondContact O-N 3.37Å; D20-K22 VanDerWaalsContact C-N 3.3Å; D20-K22 PolarHBondContact O-N 3.32Å; K22-K25 PolarHBondContact O-N 3.34Å; K22-E26 WeakPolarHBondContact O-CG 3.5Å; K22-E26 PolarHBondContact O-N 3.21Å
23K69.6Low70.7Confident132 Ų132119.9 Ų119.957%0.57457%0.573SS**Hα-helixtrans-62.7-41.7177.3-74.9-176.8-179.8178.90112.4N19 D20 E26 Q27N19-K23 PolarHBondContact O-N 2.84Å; N19-K23 VanDerWaalsContact O-N 3.08Å; D20-K23 PolarHBondContact O-N 3.31Å; D20-K23 VanDerWaalsContact O-N 3.13Å; K23-E26 PolarHBondContact O-N 2.88Å; K23-Q27 WeakPolarHBondContact O-CG 3.45Å; K23-Q27 PolarHBondContact O-N 3.28Å
24E71Confident72.6Confident121 Ų121119 Ų11957%0.56556%0.564SS**Hα-helixtrans-63-44.1175.6-75.9-179.9177.500111.8D20 E26 Q27 N28D20-E24 WeakPolarHBondContact O-CG 3.27Å; D20-E24 PolarHBondContact O-N 3.12Å; E24-E26 PolarHBondContact O-N 2.87Å; E24-Q27 PolarHBondContact O-N 3.06Å; E24-N28 WeakPolarHBondContact O-CB 3.37Å; E24-N28 PolarHBondContact O-N 3.32Å; E24-N28 PolarHBondContact O-ND2 3.47Å
25K74.1Confident74.5Confident151 Ų151115.8 Ų115.866%0.65755%0.553SS**Hα-helixtrans-59-45.9173.7-76.1177.2-178.7-174.90111.4S21 K22 N28 T29S21-K25 WeakPolarHBondContact O-CB 3.48Å; S21-K25 VanDerWaalsContact O-CG 3.27Å; S21-K25 WeakPolarHBondContact O-CG 3.34Å; S21-K25 PolarHBondContact O-N 3.33Å; S21-K25 VanDerWaalsContact O-N 3.15Å; K22-K25 PolarHBondContact O-N 3.34Å; K25-N28 PolarHBondContact O-N 3.15Å; K25-T29 WeakPolarHBondContact O-CG2 3.46Å; K25-T29 PolarHBondContact O-N 2.97Å
26E75.8Confident76.5Confident114 Ų114113.4 Ų113.453%0.53355%0.545SS..Hα-helixtrans-62.3-43.7176.2-75.8178.4-16300112.6K22 K23 E24 N28 T29 K30K22-E26 WeakPolarHBondContact O-CG 3.5Å; K22-E26 PolarHBondContact O-N 3.21Å; K23-E26 PolarHBondContact O-N 2.88Å; E24-E26 PolarHBondContact O-N 2.87Å; E26-N28 VanDerWaalsContact C-N 3.35Å; E26-N28 PolarHBondContact O-N 3.01Å; E26-T29 PolarHBondContact O-N 3.48Å; E26-T29 PolarHBondContact O-OG1 2.97Å; E26-K30 WeakPolarHBondContact O-CG 3.36Å; E26-K30 PolarHBondContact O-N 3.32Å
27Q77.3Confident78.3Confident115 Ų115114.6 Ų114.654%0.53755%0.548SS..Hα-helixtrans-62.1-41.7175.3-73.7-1795.700111.9K23 E24 K30 K31K23-Q27 WeakPolarHBondContact O-CG 3.45Å; K23-Q27 PolarHBondContact O-N 3.28Å; E24-Q27 PolarHBondContact O-N 3.06Å; Q27-K30 PolarHBondContact O-N 3.48Å; Q27-K31 WeakPolarHBondContact O-CG 3.49Å; Q27-K31 PolarHBondContact O-N 3.47Å
28N79.7Confident80Confident85 Ų85113 Ų11346%0.45553%0.531SS..Hα-helixtrans-63.4-41.1176.5-73-21.2000111.6E24 K25 E26 K30 K31 N32E24-N28 WeakPolarHBondContact O-CB 3.37Å; E24-N28 PolarHBondContact O-N 3.32Å; E24-N28 PolarHBondContact O-ND2 3.47Å; K25-N28 PolarHBondContact O-N 3.15Å; E26-N28 VanDerWaalsContact C-N 3.35Å; E26-N28 PolarHBondContact O-N 3.01Å; N28-K30 PolarHBondContact O-N 2.96Å; N28-K31 PolarHBondContact O-N 2.94Å; N28-N32 VanDerWaalsContact O-CG 3.27Å; N28-N32 PolarHBondContact O-N 3.32Å; N28-N32 PolarHBondContact O-OD1 2.76Å
29T84.2Confident81.8Confident71 Ų71107 Ų10744%0.43652%0.515SS..Hα-helixtrans-64.3-38.6174.763.70000113K25 E26 N32 K33K25-T29 WeakPolarHBondContact O-CG2 3.46Å; K25-T29 PolarHBondContact O-N 2.97Å; E26-T29 PolarHBondContact O-N 3.48Å; E26-T29 PolarHBondContact O-OG1 2.97Å; T29-N32 PolarHBondContact O-N 3.42Å; T29-K33 WeakPolarHBondContact O-CG 3.28Å; T29-K33 PolarHBondContact O-N 2.99Å
30K87Confident83.6Confident146 Ų146110 Ų11064%0.63552%0.518SS*.Hα-helixtrans-64.2-42.5174.8-71.7177.3-177.2177.90111.8E26 Q27 N28 K33 F34E26-K30 WeakPolarHBondContact O-CG 3.36Å; E26-K30 PolarHBondContact O-N 3.32Å; Q27-K30 PolarHBondContact O-N 3.48Å; N28-K30 PolarHBondContact O-N 2.96Å; K30-K33 PolarHBondContact O-N 3.32Å; K30-F34 PolarHBondContact O-N 3.45Å
31K88.6Confident85.2Confident115 Ų115112.5 Ų112.550%0.553%0.527SS..Hα-helixtrans-61.7-45.9175-73.8179.2-179.6177.90111.7Q27 N28 K33 F34 Y35Q27-K31 WeakPolarHBondContact O-CG 3.49Å; Q27-K31 PolarHBondContact O-N 3.47Å; N28-K31 PolarHBondContact O-N 2.94Å; K31-K33 PolarHBondContact O-N 3.16Å; K31-F34 WeakPolarHBondContact O-CB 3.07Å; K31-F34 PolarHBondContact O-N 3.49Å; K31-F34 VanDerWaalsContact O-N 3.16Å; K31-Y35 HydrophobicContact CB-CE2 4.38Å; K31-Y35 WeakPolarHBondContact O-CD2 3.39Å; K31-Y35 PolarHBondContact O-N 3.01Å
32N90.7Very high86.7Confident97 Ų97116.6 Ų116.652%0.51954%0.539SS..Hα-helixtrans-61.1-46.6178.2-69.1-5.4000111.7N28 T29 F34 Y35 E36N28-N32 VanDerWaalsContact O-CG 3.27Å; N28-N32 PolarHBondContact O-N 3.32Å; N28-N32 PolarHBondContact O-OD1 2.76Å; T29-N32 PolarHBondContact O-N 3.42Å; N32-F34 VanDerWaalsContact C-N 3.28Å; N32-F34 PolarHBondContact O-N 3.17Å; N32-Y35 PolarHBondContact O-N 3.46Å; N32-Y35 VanDerWaalsContact O-N 3.17Å; N32-E36 WeakPolarHBondContact O-CG 3.34Å; N32-E36 PolarHBondContact O-N 3.33Å
33K92.7Very high87.9Confident130 Ų130116 Ų11657%0.56554%0.538SS*.Hα-helixtrans-57.5-40174-73.8177.7179.3-176.50112.4T29 K30 K31 E36 L37T29-K33 WeakPolarHBondContact O-CG 3.28Å; T29-K33 PolarHBondContact O-N 2.99Å; K30-K33 PolarHBondContact O-N 3.32Å; K31-K33 PolarHBondContact O-N 3.16Å; K33-E36 PolarHBondContact O-N 3.01Å; K33-L37 VanDerWaalsContact O-CG 3.28Å; K33-L37 WeakPolarHBondContact O-CG 3.35Å; K33-L37 PolarHBondContact O-N 3.34Å
34F94Very high89.2Confident119 Ų119114.1 Ų114.152%0.52253%0.533SS..Hα-helixtrans-62.4-47.9176176.6-98.2000111.7K30 K31 N32 E36 L37 I38K30-F34 PolarHBondContact O-N 3.45Å; K31-F34 WeakPolarHBondContact O-CB 3.07Å; K31-F34 PolarHBondContact O-N 3.49Å; K31-F34 VanDerWaalsContact O-N 3.16Å; N32-F34 VanDerWaalsContact C-N 3.28Å; N32-F34 PolarHBondContact O-N 3.17Å; F34-E36 VanDerWaalsContact C-N 3.34Å; F34-E36 PolarHBondContact O-N 3.24Å; F34-L37 PolarHBondContact O-N 3.44Å; F34-I38 HydrophobicContact CD1-CG1 4.27Å; F34-I38 HydrophobicContact CE1-CD1 4.48Å; F34-I38 HydrophobicContact CE1-CG1 3.87Å; F34-I38 HydrophobicContact CE2-CD1 4.26Å; F34-I38 HydrophobicContact CE2-CG1 4.22Å; F34-I38 HydrophobicContact CZ-CD1 3.98Å; F34-I38 HydrophobicContact CZ-CG1 3.84Å; F34-I38 WeakPolarHBondContact O-CG1 3.39Å; F34-I38 PolarHBondContact O-N 3.37Å
35Y94Very high90.5Very high154 Ų154115.8 Ų115.860%0.60454%0.538SS*.Hα-helixtrans-62.6-39.4177.3-70.4-61.9000112.7K31 N32 I38 A39K31-Y35 HydrophobicContact CB-CE2 4.38Å; K31-Y35 WeakPolarHBondContact O-CD2 3.39Å; K31-Y35 PolarHBondContact O-N 3.01Å; N32-Y35 PolarHBondContact O-N 3.46Å; N32-Y35 VanDerWaalsContact O-N 3.17Å; Y35-I38 PolarHBondContact O-N 2.91Å; Y35-A39 WeakPolarHBondContact O-CB 3.41Å; Y35-A39 PolarHBondContact O-N 2.93Å
36E94.8Very high91.5Very high132 Ų132113.3 Ų113.362%0.61753%0.532SS*.Hα-helixtrans-60-44.8173.7-73.9172-172.900112N32 K33 F34 A39 R40N32-E36 WeakPolarHBondContact O-CG 3.34Å; N32-E36 PolarHBondContact O-N 3.33Å; K33-E36 PolarHBondContact O-N 3.01Å; F34-E36 VanDerWaalsContact C-N 3.34Å; F34-E36 PolarHBondContact O-N 3.24Å; E36-A39 PolarHBondContact O-N 3.48Å; E36-R40 WeakPolarHBondContact O-CB 3.39Å; E36-R40 PolarHBondContact O-N 3.34Å
37L95.6Very high92.5Very high101 Ų101112.5 Ų112.553%0.52953%0.53SS..Hα-helixtrans-63.3-42.6177-71.9172.5000111.8K33 F34 R40 Q41K33-L37 VanDerWaalsContact O-CG 3.28Å; K33-L37 WeakPolarHBondContact O-CG 3.35Å; K33-L37 PolarHBondContact O-N 3.34Å; F34-L37 PolarHBondContact O-N 3.44Å; L37-R40 PolarHBondContact O-N 3.02Å; L37-Q41 WeakPolarHBondContact O-CG 3.4Å; L37-Q41 PolarHBondContact O-N 2.87Å
38I95.6Very high93.5Very high53 Ų53113.9 Ų113.927%0.27253%0.534SS..Hα-helixtrans-63.7-43.6176-66.4-64.9000111F34 Y35 R40 Q41 K42F34-I38 HydrophobicContact CD1-CG1 4.27Å; F34-I38 HydrophobicContact CE1-CD1 4.48Å; F34-I38 HydrophobicContact CE1-CG1 3.87Å; F34-I38 HydrophobicContact CE2-CD1 4.26Å; F34-I38 HydrophobicContact CE2-CG1 4.22Å; F34-I38 HydrophobicContact CZ-CD1 3.98Å; F34-I38 HydrophobicContact CZ-CG1 3.84Å; F34-I38 WeakPolarHBondContact O-CG1 3.39Å; F34-I38 PolarHBondContact O-N 3.37Å; Y35-I38 PolarHBondContact O-N 2.91Å; I38-R40 VanDerWaalsContact C-N 3.35Å; I38-R40 PolarHBondContact O-N 2.98Å; I38-Q41 PolarHBondContact O-N 2.96Å; I38-K42 HydrophobicContact CG2-CD 4.37Å; I38-K42 WeakPolarHBondContact O-CG 3.41Å; I38-K42 PolarHBondContact O-N 2.9Å
39A95.8Very high94.3Very high47 Ų47113.7 Ų113.739%0.38853%0.533SS..Hα-helixtrans-60.6-45.5176.400000111.1Y35 E36 Q41 K42 Q43Y35-A39 WeakPolarHBondContact O-CB 3.41Å; Y35-A39 PolarHBondContact O-N 2.93Å; E36-A39 PolarHBondContact O-N 3.48Å; A39-Q41 PolarHBondContact O-N 3.32Å; A39-K42 PolarHBondContact O-N 2.98Å; A39-Q43 WeakPolarHBondContact O-CG 3.33Å; A39-Q43 PolarHBondContact O-N 3.27Å
40R96.5Very high94.9Very high162 Ų162115.2 Ų115.261%0.61154%0.535SS*.Hα-helixtrans-60.9-43.9176-170.9179.2-177.1-170.41.9112.2E36 L37 I38 K42 Q43 M44E36-R40 WeakPolarHBondContact O-CB 3.39Å; E36-R40 PolarHBondContact O-N 3.34Å; L37-R40 PolarHBondContact O-N 3.02Å; I38-R40 VanDerWaalsContact C-N 3.35Å; I38-R40 PolarHBondContact O-N 2.98Å; R40-K42 PolarHBondContact O-N 3.33Å; R40-Q43 PolarHBondContact O-N 3.33Å; R40-M44 WeakPolarHBondContact O-CG 3.36Å; R40-M44 PolarHBondContact O-N 3.4Å
41Q96.2Very high95.4Very high127 Ų127114.8 Ų114.859%0.59353%0.533SS*.Hα-helixtrans-61.5-43176.3-76.2179.50.900112.1L37 I38 A39 M44 K45L37-Q41 WeakPolarHBondContact O-CG 3.4Å; L37-Q41 PolarHBondContact O-N 2.87Å; I38-Q41 PolarHBondContact O-N 2.96Å; A39-Q41 PolarHBondContact O-N 3.32Å; Q41-M44 PolarHBondContact O-N 3.47Å; Q41-K45 PolarHBondContact O-N 3.49Å
42K96.8Very high95.9Very high138 Ų138115.9 Ų115.960%0.654%0.538SS*.Hα-helixtrans-60.6-46.4175.3-73.6177.7179.3-178.50111.6I38 A39 R40 M44 K45 N46I38-K42 HydrophobicContact CG2-CD 4.37Å; I38-K42 WeakPolarHBondContact O-CG 3.41Å; I38-K42 PolarHBondContact O-N 2.9Å; A39-K42 PolarHBondContact O-N 2.98Å; R40-K42 PolarHBondContact O-N 3.33Å; K42-M44 PolarHBondContact O-N 2.99Å; K42-K45 PolarHBondContact O-N 3.46Å; K42-N46 PolarHBondContact O-N 3.05Å
43Q96.4Very high96.2Very high125 Ų125116.1 Ų116.158%0.58454%0.535SS*.Hα-helixtrans-59-46.3176-72175.8-1600111.8A39 R40 K45 N46 I47A39-Q43 WeakPolarHBondContact O-CG 3.33Å; A39-Q43 PolarHBondContact O-N 3.27Å; R40-Q43 PolarHBondContact O-N 3.33Å; Q43-K45 VanDerWaalsContact C-N 3.33Å; Q43-K45 PolarHBondContact O-N 2.98Å; Q43-N46 PolarHBondContact O-N 2.96Å; Q43-I47 WeakPolarHBondContact O-CG1 3.49Å; Q43-I47 PolarHBondContact O-N 3.25Å
44M96.5Very high96.4Very high94 Ų94112.5 Ų112.546%0.46353%0.529SS..Hα-helixtrans-61.7-39.5177.5-72-177.472.500112.7R40 Q41 K42 I47 K48R40-M44 WeakPolarHBondContact O-CG 3.36Å; R40-M44 PolarHBondContact O-N 3.4Å; Q41-M44 PolarHBondContact O-N 3.47Å; K42-M44 PolarHBondContact O-N 2.99Å; M44-I47 PolarHBondContact O-N 3.46Å; M44-K48 WeakPolarHBondContact O-CB 3.36Å; M44-K48 WeakPolarHBondContact O-CG 3.5Å; M44-K48 PolarHBondContact O-N 2.96Å
45K97.4Very high96.6Very high155 Ų155111 Ų11167%0.67453%0.525SS*.Hα-helixtrans-61.7-44.9175.9-175.7178.6177.9-178.80111.1Q41 K42 Q43 K48 L49Q41-K45 PolarHBondContact O-N 3.49Å; K42-K45 PolarHBondContact O-N 3.46Å; Q43-K45 VanDerWaalsContact C-N 3.33Å; Q43-K45 PolarHBondContact O-N 2.98Å; K45-K48 PolarHBondContact O-N 3.23Å; K45-L49 WeakPolarHBondContact O-CB 3.36Å; K45-L49 PolarHBondContact O-N 3.33Å
46N96.5Very high96.8Very high100 Ų100108.2 Ų108.254%0.53552%0.518SS..Hα-helixtrans-63.2-45.8178.1-69.1-7.5000111.5K42 Q43 K48 L49 E50K42-N46 PolarHBondContact O-N 3.05Å; Q43-N46 PolarHBondContact O-N 2.96Å; N46-K48 VanDerWaalsContact C-N 3.32Å; N46-K48 PolarHBondContact O-N 2.83Å; N46-L49 WeakPolarHBondContact O-CB 3.47Å; N46-L49 PolarHBondContact O-N 2.95Å; N46-L49 VanDerWaalsContact O-N 3.17Å; N46-E50 WeakPolarHBondContact O-CG 3.49Å; N46-E50 PolarHBondContact O-N 3.17Å
47I96.8Very high96.9Very high96 Ų96108.1 Ų108.149%0.49252%0.515SS..Hα-helixtrans-59.2-43.6176.4-66.7165.8000111.3Q43 M44 L49 E50 K51Q43-I47 WeakPolarHBondContact O-CG1 3.49Å; Q43-I47 PolarHBondContact O-N 3.25Å; M44-I47 PolarHBondContact O-N 3.46Å; I47-L49 VanDerWaalsContact C-N 3.34Å; I47-E50 PolarHBondContact O-N 2.96Å; I47-K51 HydrophobicContact CG2-CD 4.3Å; I47-K51 WeakPolarHBondContact O-CB 3.46Å; I47-K51 WeakPolarHBondContact O-CG 3.47Å; I47-K51 PolarHBondContact O-N 3.17Å
48K97.6Very high97Very high144 Ų144109.2 Ų109.263%0.62652%0.516SS*.Hα-helixtrans-62.4-42176.9-76.5179.2179-176.40111.9M44 K45 N46 K51 K52M44-K48 WeakPolarHBondContact O-CB 3.36Å; M44-K48 WeakPolarHBondContact O-CG 3.5Å; M44-K48 PolarHBondContact O-N 2.96Å; K45-K48 PolarHBondContact O-N 3.23Å; N46-K48 VanDerWaalsContact C-N 3.32Å; N46-K48 PolarHBondContact O-N 2.83Å; K48-K51 PolarHBondContact O-N 3.37Å; K48-K52 WeakPolarHBondContact O-CB 3.34Å; K48-K52 PolarHBondContact O-N 2.95Å
49L97.3Very high97.1Very high82 Ų82114.5 Ų114.543%0.42953%0.532SS..Hα-helixtrans-62.9-47.3178.5-176.564.9000111.3K45 N46 I47 K51 K52 K53K45-L49 WeakPolarHBondContact O-CB 3.36Å; K45-L49 PolarHBondContact O-N 3.33Å; N46-L49 WeakPolarHBondContact O-CB 3.47Å; N46-L49 PolarHBondContact O-N 2.95Å; N46-L49 VanDerWaalsContact O-N 3.17Å; I47-L49 VanDerWaalsContact C-N 3.34Å; L49-K51 PolarHBondContact O-N 3.36Å; L49-K52 WeakPolarHBondContact O-CB 3.49Å; L49-K52 PolarHBondContact O-N 3.49Å; L49-K53 WeakPolarHBondContact O-CG 3.45Å; L49-K53 PolarHBondContact O-N 2.89Å
50E96.7Very high97.2Very high102 Ų102118 Ų11848%0.47754%0.541SS..Hα-helixtrans-63.8-41.2178.4-69-55126.100112N46 I47 K52 K53 A54N46-E50 WeakPolarHBondContact O-CG 3.49Å; N46-E50 PolarHBondContact O-N 3.17Å; I47-E50 PolarHBondContact O-N 2.96Å; E50-K52 VanDerWaalsContact C-N 3.33Å; E50-K52 PolarHBondContact O-N 3.47Å; E50-K53 PolarHBondContact O-N 3.29Å; E50-K53 IonicContact OE1-NZ 2.83Å; E50-K53 PolarHBondContact OE1-NZ 2.94Å; E50-A54 WeakPolarHBondContact O-CB 3.46Å; E50-A54 PolarHBondContact O-N 3.43Å
51K97.5Very high97.2Very high138 Ų138114.6 Ų114.660%0.653%0.532SS*.Hα-helixtrans-60.2-42.5172.3-74-176.1-177.7-1720112I47 K48 L49 A54 I55I47-K51 HydrophobicContact CG2-CD 4.3Å; I47-K51 WeakPolarHBondContact O-CB 3.46Å; I47-K51 WeakPolarHBondContact O-CG 3.47Å; I47-K51 PolarHBondContact O-N 3.17Å; K48-K51 PolarHBondContact O-N 3.37Å; L49-K51 PolarHBondContact O-N 3.36Å; K51-A54 PolarHBondContact O-N 2.95Å; K51-I55 WeakPolarHBondContact O-CD1 3.26Å; K51-I55 VanDerWaalsContact O-CG1 3.26Å; K51-I55 WeakPolarHBondContact O-CG1 3.31Å; K51-I55 PolarHBondContact O-N 3.42Å
52K97.8Very high97.2Very high137 Ų137114.3 Ų114.360%0.59653%0.525SS*.Hα-helixtrans-61.5-49.2177.9-175.4-179.4174.6-174.30110.8K48 L49 E50 A54 I55 E56K48-K52 WeakPolarHBondContact O-CB 3.34Å; K48-K52 PolarHBondContact O-N 2.95Å; L49-K52 WeakPolarHBondContact O-CB 3.49Å; L49-K52 PolarHBondContact O-N 3.49Å; E50-K52 VanDerWaalsContact C-N 3.33Å; E50-K52 PolarHBondContact O-N 3.47Å; K52-A54 VanDerWaalsContact C-N 3.34Å; K52-A54 PolarHBondContact O-N 2.99Å; K52-I55 PolarHBondContact O-N 3.47Å; K52-E56 WeakPolarHBondContact O-CB 3.49Å; K52-E56 PolarHBondContact O-N 3.4Å
53K97.7Very high97.2Very high103 Ų103112.2 Ų112.245%0.44852%0.52SS..Hα-helixtrans-57.4-44.9176.4-70.6176.2-176.2167.70112.1L49 E50 I55 E56 K57L49-K53 WeakPolarHBondContact O-CG 3.45Å; L49-K53 PolarHBondContact O-N 2.89Å; E50-K53 PolarHBondContact O-N 3.29Å; E50-K53 IonicContact OE1-NZ 2.83Å; E50-K53 PolarHBondContact OE1-NZ 2.94Å; K53-I55 VanDerWaalsContact C-N 3.34Å; K53-I55 PolarHBondContact O-N 3.19Å; K53-E56 PolarHBondContact O-N 2.9Å; K53-K57 WeakPolarHBondContact O-CB 3.45Å; K53-K57 PolarHBondContact O-N 3.15Å
54A97.5Very high97.2Very high54 Ų54111.4 Ų111.445%0.44652%0.516SS..Hα-helixtrans-63.6-38.6178.400000112.6E50 K51 K52 K58E50-A54 WeakPolarHBondContact O-CB 3.46Å; E50-A54 PolarHBondContact O-N 3.43Å; K51-A54 PolarHBondContact O-N 2.95Å; K52-A54 VanDerWaalsContact C-N 3.34Å; K52-A54 PolarHBondContact O-N 2.99Å; A54-K58 WeakPolarHBondContact O-CG 3.5Å; A54-K58 PolarHBondContact O-N 3.35Å; A54-K58 VanDerWaalsContact O-N 3.15Å
55I97.4Very high97.1Very high86 Ų86111.9 Ų111.944%0.44152%0.521SS..Hα-helixtrans-68-42.3175.8-70.1166.1000110.8K51 K52 K53 K58 R59K51-I55 WeakPolarHBondContact O-CD1 3.26Å; K51-I55 VanDerWaalsContact O-CG1 3.26Å; K51-I55 WeakPolarHBondContact O-CG1 3.31Å; K51-I55 PolarHBondContact O-N 3.42Å; K52-I55 PolarHBondContact O-N 3.47Å; K53-I55 VanDerWaalsContact C-N 3.34Å; K53-I55 PolarHBondContact O-N 3.19Å; I55-K58 PolarHBondContact O-N 3Å; I55-R59 HydrophobicContact CG2-CG 4.48Å; I55-R59 VanDerWaalsContact O-CG 3.31Å; I55-R59 WeakPolarHBondContact O-CG 3.38Å; I55-R59 PolarHBondContact O-N 3.43Å
56E97.7Very high96.9Very high97 Ų97111.3 Ų111.345%0.45351%0.514SS..Hα-helixtrans-62.7-48.5178.9-171.7157.7-141.300111.3K52 K53 K58 R59 E60K52-E56 WeakPolarHBondContact O-CB 3.49Å; K52-E56 PolarHBondContact O-N 3.4Å; K53-E56 PolarHBondContact O-N 2.9Å; E56-K58 VanDerWaalsContact C-N 3.34Å; E56-K58 PolarHBondContact O-N 3.33Å; E56-R59 WeakPolarHBondContact O-CA 3.48Å; E56-R59 VanDerWaalsContact O-CB 3.31Å; E56-R59 WeakPolarHBondContact O-CB 3.4Å; E56-R59 PolarHBondContact O-N 3.31Å; E56-E60 PolarHBondContact O-N 2.94Å
57K97.8Very high96.9Very high129 Ų129112.5 Ų112.556%0.56151%0.514SS*.Hα-helixtrans-54-47.7172.2-176.2176.6177.8179.30112.2K53 R59 E60 E61K53-K57 WeakPolarHBondContact O-CB 3.45Å; K53-K57 PolarHBondContact O-N 3.15Å; K57-R59 VanDerWaalsContact C-N 3.27Å; K57-R59 PolarHBondContact O-N 2.92Å; K57-E60 PolarHBondContact O-N 3.43Å; K57-E61 WeakPolarHBondContact CE-OE1 3.31Å; K57-E61 WeakPolarHBondContact CG-OE1 3.11Å; K57-E61 WeakPolarHBondContact O-CG 3.38Å; K57-E61 PolarHBondContact O-N 2.82Å
58K98.1Very high96.7Very high124 Ų124112.5 Ų112.554%0.53951%0.513SS..Hα-helixtrans-63.2-30.4175.6-73.9-177.8179.5-174.40113.1A54 I55 E56 R62A54-K58 WeakPolarHBondContact O-CG 3.5Å; A54-K58 PolarHBondContact O-N 3.35Å; A54-K58 VanDerWaalsContact O-N 3.15Å; I55-K58 PolarHBondContact O-N 3Å; E56-K58 VanDerWaalsContact C-N 3.34Å; E56-K58 PolarHBondContact O-N 3.33Å; K58-R62 WeakPolarHBondContact O-CB 3.42Å; K58-R62 VanDerWaalsContact O-CG 3.28Å; K58-R62 WeakPolarHBondContact O-CG 3.44Å; K58-R62 PolarHBondContact O-N 3.11Å; K58-R62 VanDerWaalsContact O-N 3.13Å
59R97.6Very high96.4Very high164 Ų164109.5 Ų109.562%0.61950%0.497SS*.Hα-helixtrans-70.5-44.4175.8-74.3171179.5-161.9-0.9110.5I55 E56 K57 R62 L63I55-R59 HydrophobicContact CG2-CG 4.48Å; I55-R59 VanDerWaalsContact O-CG 3.31Å; I55-R59 WeakPolarHBondContact O-CG 3.38Å; I55-R59 PolarHBondContact O-N 3.43Å; E56-R59 WeakPolarHBondContact O-CA 3.48Å; E56-R59 VanDerWaalsContact O-CB 3.31Å; E56-R59 WeakPolarHBondContact O-CB 3.4Å; E56-R59 PolarHBondContact O-N 3.31Å; K57-R59 VanDerWaalsContact C-N 3.27Å; K57-R59 PolarHBondContact O-N 2.92Å; R59-R62 VanDerWaalsContact CG-NH2 3.3Å; R59-R62 PolarHBondContact O-N 2.92Å; R59-L63 WeakPolarHBondContact O-CB 3.4Å; R59-L63 PolarHBondContact O-N 3.4Å
60E97.5Very high96.1Very high121 Ų121110.2 Ų110.257%0.56550%0.501SS*.Hα-helixtrans-61.9-48.4176.5-68.9174.3175.100111.3E56 K57 R62 L63 H64E56-E60 PolarHBondContact O-N 2.94Å; K57-E60 PolarHBondContact O-N 3.43Å; E60-R62 PolarHBondContact O-N 3.44Å; E60-L63 PolarHBondContact O-N 3.4Å; E60-L63 VanDerWaalsContact O-N 3.11Å; E60-H64 WeakPolarHBondContact O-CB 3.4Å; E60-H64 PolarHBondContact O-N 3.48Å
61E97.1Very high95.9Very high91 Ų91110.2 Ų110.243%0.42550%0.504SS..Hα-helixtrans-57.3-46.1175.6-72.9169.3-176.500111.7K57 L63 H64 N65K57-E61 WeakPolarHBondContact CE-OE1 3.31Å; K57-E61 WeakPolarHBondContact CG-OE1 3.11Å; K57-E61 WeakPolarHBondContact O-CG 3.38Å; K57-E61 PolarHBondContact O-N 2.82Å; E61-L63 VanDerWaalsContact C-N 3.33Å; E61-L63 PolarHBondContact O-N 3.13Å; E61-H64 PolarHBondContact O-N 3.01Å; E61-N65 WeakPolarHBondContact O-CB 3.28Å; E61-N65 PolarHBondContact O-N 2.96Å; E61-N65 PolarHBondContact O-ND2 3.26Å
62R95.7Very high95.6Very high120 Ų120106.2 Ų106.245%0.45349%0.493SS..Hα-helixtrans-62.8-39.3175.9-78.6-170.3-60-93.5-1.6112.4K58 R59 E60 R66K58-R62 WeakPolarHBondContact O-CB 3.42Å; K58-R62 VanDerWaalsContact O-CG 3.28Å; K58-R62 WeakPolarHBondContact O-CG 3.44Å; K58-R62 PolarHBondContact O-N 3.11Å; K58-R62 VanDerWaalsContact O-N 3.13Å; R59-R62 VanDerWaalsContact CG-NH2 3.3Å; R59-R62 PolarHBondContact O-N 2.92Å; E60-R62 PolarHBondContact O-N 3.44Å; R62-R66 WeakPolarHBondContact O-CB 3.19Å; R62-R66 WeakPolarHBondContact O-CG 3.41Å; R62-R66 PolarHBondContact O-N 2.93Å
63L96.8Very high95.3Very high94 Ų94101.1 Ų101.149%0.49247%0.472SS..Hα-helixtrans-68.8-44.6179.4-177.662.5000110.9R59 E60 E61 R66 K67R59-L63 WeakPolarHBondContact O-CB 3.4Å; R59-L63 PolarHBondContact O-N 3.4Å; E60-L63 PolarHBondContact O-N 3.4Å; E60-L63 VanDerWaalsContact O-N 3.11Å; E61-L63 VanDerWaalsContact C-N 3.33Å; E61-L63 PolarHBondContact O-N 3.13Å; L63-R66 WeakPolarHBondContact O-CB 3.36Å; L63-R66 PolarHBondContact O-N 2.92Å; L63-K67 WeakPolarHBondContact O-CG 3.39Å; L63-K67 PolarHBondContact O-N 3.24Å
64H97Very high95Very high109 Ų109103 Ų10351%0.50548%0.482SS..Hα-helixtrans-56.7-53174.2-179.8-86.5000110.9E60 E61 R66 K67 E68E60-H64 WeakPolarHBondContact O-CB 3.4Å; E60-H64 PolarHBondContact O-N 3.48Å; E61-H64 PolarHBondContact O-N 3.01Å; H64-R66 VanDerWaalsContact C-N 3.26Å; H64-R66 PolarHBondContact O-N 3.23Å; H64-K67 WeakPolarHBondContact O-CB 3.38Å; H64-K67 PolarHBondContact O-N 2.92Å; H64-E68 PolarHBondContact O-N 2.98Å
65N94Very high94.8Very high104 Ų104105.9 Ų105.956%0.55649%0.485SS*.Hα-helixtrans-60.6-34.8178.7-68.4-10.4000112.6E61 R69E61-N65 WeakPolarHBondContact O-CB 3.28Å; E61-N65 PolarHBondContact O-N 2.96Å; E61-N65 PolarHBondContact O-ND2 3.26Å; N65-R69 WeakPolarHBondContact O-CB 3.45Å; N65-R69 PolarHBondContact O-N 3.36Å
66R93.4Very high94.7Very high142 Ų142106 Ų10654%0.53649%0.486SS..Hα-helixtrans-66-42.1173.2-77.4171.6-177.8-167-0.2112.1R62 L63 H64 N70R62-R66 WeakPolarHBondContact O-CB 3.19Å; R62-R66 WeakPolarHBondContact O-CG 3.41Å; R62-R66 PolarHBondContact O-N 2.93Å; L63-R66 WeakPolarHBondContact O-CB 3.36Å; L63-R66 PolarHBondContact O-N 2.92Å; H64-R66 VanDerWaalsContact C-N 3.26Å; H64-R66 PolarHBondContact O-N 3.23Å; R66-N70 WeakPolarHBondContact O-CB 3.41Å; R66-N70 PolarHBondContact O-N 3.02Å; R66-N70 PolarHBondContact O-ND2 3.34Å; R66-N70 PolarHBondContact O-OD1 3.45Å
67K95.6Very high94.5Very high125 Ų125104.3 Ų104.354%0.54348%0.482SS..Hα-helixtrans-62.3-51.8177.3-73.1179.6177.9-175.70110.9L63 H64 R69 N70 I71L63-K67 WeakPolarHBondContact O-CG 3.39Å; L63-K67 PolarHBondContact O-N 3.24Å; H64-K67 WeakPolarHBondContact O-CB 3.38Å; H64-K67 PolarHBondContact O-N 2.92Å; K67-R69 VanDerWaalsContact C-N 3.31Å; K67-R69 PolarHBondContact O-N 2.98Å; K67-N70 PolarHBondContact O-N 3.05Å; K67-I71 WeakPolarHBondContact O-CG1 3.17Å; K67-I71 PolarHBondContact O-N 3.36Å
68E94Very high94.3Very high97 Ų97110.7 Ų110.745%0.45350%0.503SS..Hα-helixtrans-59.5-41.5178-67.9-51.6119.600112.4H64 N70 I71 S72H64-E68 PolarHBondContact O-N 2.98Å; E68-N70 PolarHBondContact O-N 3Å; E68-I71 PolarHBondContact O-N 3.21Å; E68-S72 WeakPolarHBondContact O-CB 3.23Å; E68-S72 PolarHBondContact O-N 3.35Å; E68-S72 PolarHBondContact O-OG 3.47Å
69R90.7Very high94.2Very high80 Ų80113.8 Ų113.830%0.30252%0.516SS..Hα-helixtrans-62.6-41.9173.8-173.9178.666.5-171.81.6112.2N65 K67 S72 M73N65-R69 WeakPolarHBondContact O-CB 3.45Å; N65-R69 PolarHBondContact O-N 3.36Å; K67-R69 VanDerWaalsContact C-N 3.31Å; K67-R69 PolarHBondContact O-N 2.98Å; R69-S72 WeakPolarHBondContact CA-OG 3.48Å; R69-S72 PolarHBondContact O-N 3.01Å; R69-S72 PolarHBondContact O-OG 2.98Å; R69-M73 HydrophobicContact CG-CE 3.89Å; R69-M73 HydrophobicContact CG-CG 4.42Å; R69-M73 HydrophobicContact CG-SD 4.16Å; R69-M73 WeakPolarHBondContact O-CB 3.35Å; R69-M73 VanDerWaalsContact O-CG 3.24Å; R69-M73 WeakPolarHBondContact O-CG 3.5Å; R69-M73 PolarHBondContact O-N 2.97Å
70N91.4Very high94.1Very high97 Ų97108 Ų10852%0.51951%0.507SS..Hα-helixtrans-66.2-41.2-179.9-73-8.2000111.7R66 K67 E68 M73 Q74R66-N70 WeakPolarHBondContact O-CB 3.41Å; R66-N70 PolarHBondContact O-N 3.02Å; R66-N70 PolarHBondContact O-ND2 3.34Å; R66-N70 PolarHBondContact O-OD1 3.45Å; K67-N70 PolarHBondContact O-N 3.05Å; E68-N70 PolarHBondContact O-N 3Å; N70-M73 PolarHBondContact O-N 3.46Å; N70-Q74 PolarHBondContact O-N 2.94Å
71I92.5Very high93.9Very high103 Ų103108.1 Ų108.153%0.52851%0.508SS..Hα-helixtrans-61.1-51.8174.9-65.6166000110K67 E68 M73 Q74K67-I71 WeakPolarHBondContact O-CG1 3.17Å; K67-I71 PolarHBondContact O-N 3.36Å; E68-I71 PolarHBondContact O-N 3.21Å; I71-M73 PolarHBondContact O-N 3.49Å; I71-Q74 VanDerWaalsContact O-CB 3.23Å; I71-Q74 WeakPolarHBondContact O-CB 3.24Å; I71-Q74 PolarHBondContact O-N 2.93Å
72S90.4Very high93.8Very high54 Ų54106 Ų10638%0.37850%0.502SS..Hα-helixtrans-62.7-27179.655.40000113.9E68 R69 Q74 H86 L90E68-S72 WeakPolarHBondContact O-CB 3.23Å; E68-S72 PolarHBondContact O-N 3.35Å; E68-S72 PolarHBondContact O-OG 3.47Å; R69-S72 WeakPolarHBondContact CA-OG 3.48Å; R69-S72 PolarHBondContact O-N 3.01Å; R69-S72 PolarHBondContact O-OG 2.98Å; S72-Q74 VanDerWaalsContact C-N 3.33Å; S72-H86 PolarHBondContact O-NE2 3.45Å; S72-L90 WeakPolarHBondContact O-CD1 3.38Å
73M91.4Very high93.7Very high30 Ų30101.9 Ų101.915%0.14849%0.49CS..THydrogen-bonded Turntrans-81.1-4.7174.7-73.5-170.7-51.600114.5R69 N70 I71 K75 R87 L90 L91R69-M73 HydrophobicContact CG-CE 3.89Å; R69-M73 HydrophobicContact CG-CG 4.42Å; R69-M73 HydrophobicContact CG-SD 4.16Å; R69-M73 WeakPolarHBondContact O-CB 3.35Å; R69-M73 VanDerWaalsContact O-CG 3.24Å; R69-M73 WeakPolarHBondContact O-CG 3.5Å; R69-M73 PolarHBondContact O-N 2.97Å; N70-M73 PolarHBondContact O-N 3.46Å; I71-M73 PolarHBondContact O-N 3.49Å; M73-K75 PolarHBondContact O-N 2.97Å; M73-R87 HydrophobicContact CB-CG 4.09Å; M73-R87 HydrophobicContact CG-CG 4.21Å; M73-R87 PolarHBondContact O-NE 3.48Å; M73-L90 HydrophobicContact CG-CD1 3.93Å; M73-L91 HydrophobicContact SD-CD2 4.41Å
74Q91.9Very high93.6Very high141 Ų141102.9 Ų102.966%0.65949%0.494SS*.  trans-78.533.6-178.8-158.3-177.2-1.500113.2N70 I71 S72N70-Q74 PolarHBondContact O-N 2.94Å; I71-Q74 VanDerWaalsContact O-CB 3.23Å; I71-Q74 WeakPolarHBondContact O-CB 3.24Å; I71-Q74 PolarHBondContact O-N 2.93Å; S72-Q74 VanDerWaalsContact C-N 3.33Å
75K92.4Very high93.5Very high115 Ų115106.2 Ų106.250%0.551%0.507SS..  trans-82.5121.3171.9-165.9173.9-175.1170.30109.9M73 V83 H86M73-K75 PolarHBondContact O-N 2.97Å; K75-V83 HydrophobicContact CB-CB 4.4Å; K75-V83 HydrophobicContact CB-CG2 4.44Å; K75-V83 HydrophobicContact CD-CB 4.49Å; K75-V83 HydrophobicContact CD-CG2 4.42Å; K75-V83 HydrophobicContact CG-CB 4.29Å; K75-V83 HydrophobicContact CG-CG2 3.96Å; K75-V83 PolarHBondContact O-N 3.03Å; K75-H86 VanDerWaalsContact CB-CD2 3.46Å; K75-H86 WeakPolarHBondContact CB-CD2 3.37Å; K75-H86 HydrophobicContact CD-CB 4.08Å
76L95.3Very high93.5Very high90 Ų90103.7 Ų103.747%0.47149%0.492SS..BIsolated β-bridgetrans-110153.2178.5-55.8-179000111.3G80 Q81 P82L76-G80 WeakPolarHBondContact CD2-O 3.41Å; L76-Q81 CarbonylContact C-O 3.48Å; L76-Q81 WeakPolarHBondContact CA-O 3.38Å; L76-P82 HydrophobicContact CD2-CG 4.47Å
77T93.6Very high93.5Very high61 Ų61100.4 Ų100.437%0.37448%0.479SS..  trans-76.1170.7169.2620000110.1K79 G80 Q81 V83T77-K79 PolarHBondContact O-N 3.2Å; T77-K79 VanDerWaalsContact O-N 3.1Å; T77-K79 PolarHBondContact OG1-N 2.94Å; T77-G80 PolarHBondContact O-N 2.83Å; T77-Q81 HydrophobicContact CG2-CB 4.45Å; T77-Q81 WeakPolarHBondContact CG2-O 3.46Å; T77-Q81 PolarHBondContact N-O 3.34Å; T77-Q81 WeakPolarHBondContact OG1-CB 3.32Å; T77-Q81 PolarHBondContact OG1-N 3.36Å; T77-Q81 PolarHBondContact OG1-O 3.05Å; T77-V83 HydrophobicContact CG2-CG2 3.79Å
78R94.8Very high93.3Very high262 Ų26298.5 Ų98.599%0.98947%0.474SS*.THydrogen-bonded Turntrans-56.1-26.1173.2-69-175175.8-179.6-1.5113.6G80R78-G80 VanDerWaalsContact C-N 3.32Å
79K96Very high93.3Very high190 Ų190101.4 Ų101.483%0.82649%0.485SS*.THydrogen-bonded Turntrans-88.87.7176.3-62.2-173.4177.7-175.50113.4T77 Q81T77-K79 PolarHBondContact O-N 3.2Å; T77-K79 VanDerWaalsContact O-N 3.1Å; T77-K79 PolarHBondContact OG1-N 2.94Å; K79-Q81 VanDerWaalsContact C-N 3.27Å; K79-Q81 PolarHBondContact O-N 2.97Å
80G94.1Very high93.3Very high42 Ų4299.6 Ų99.643%0.43348%0.481SS..SBendtrans781.8-177.700000115.3L76 T77 R78L76-G80 WeakPolarHBondContact CD2-O 3.41Å; T77-G80 PolarHBondContact O-N 2.83Å; R78-G80 VanDerWaalsContact C-N 3.32Å
81Q93.9Very high93.3Very high124 Ų12498.5 Ų98.558%0.57948%0.475SS*.  trans-77.8144.5178.9-61.9-61.9-33.400111.7L76 T77 K79 V83L76-Q81 CarbonylContact C-O 3.48Å; L76-Q81 WeakPolarHBondContact CA-O 3.38Å; T77-Q81 HydrophobicContact CG2-CB 4.45Å; T77-Q81 WeakPolarHBondContact CG2-O 3.46Å; T77-Q81 PolarHBondContact N-O 3.34Å; T77-Q81 WeakPolarHBondContact OG1-CB 3.32Å; T77-Q81 PolarHBondContact OG1-N 3.36Å; T77-Q81 PolarHBondContact OG1-O 3.05Å; K79-Q81 VanDerWaalsContact C-N 3.27Å; K79-Q81 PolarHBondContact O-N 2.97Å; Q81-V83 PolarHBondContact O-N 3.04Å
82P94.5Very high93.2Very high45 Ų4598.3 Ų98.329%0.29247%0.474SS..BIsolated β-bridgetrans-50.7131.9169.2-34.341000115.1L76 M84L76-P82 HydrophobicContact CD2-CG 4.47Å; P82-M84 HydrophobicContact CB-SD 4.31Å; P82-M84 PolarHBondContact O-N 3.3Å
83V95Very high93.2Very high35 Ų35102.2 Ų102.221%0.21249%0.485CS..  trans-7991.3170.7-175.30000109.4K75 T77 Q81 K85 H86 R87K75-V83 HydrophobicContact CB-CB 4.4Å; K75-V83 HydrophobicContact CB-CG2 4.44Å; K75-V83 HydrophobicContact CD-CB 4.49Å; K75-V83 HydrophobicContact CD-CG2 4.42Å; K75-V83 HydrophobicContact CG-CB 4.29Å; K75-V83 HydrophobicContact CG-CG2 3.96Å; K75-V83 PolarHBondContact O-N 3.03Å; T77-V83 HydrophobicContact CG2-CG2 3.79Å; Q81-V83 PolarHBondContact O-N 3.04Å; V83-K85 VanDerWaalsContact C-N 3.34Å; V83-K85 PolarHBondContact O-N 3.36Å; V83-H86 HydrophobicContact CB-CB 4.05Å; V83-H86 HydrophobicContact CG1-CB 3.78Å; V83-H86 WeakPolarHBondContact O-CB 3.35Å; V83-H86 PolarHBondContact O-N 2.86Å; V83-H86 VanDerWaalsContact O-N 3.12Å; V83-R87 PolarHBondContact O-N 3.16Å; V83-R87 VanDerWaalsContact O-N 3.16Å
84M94.2Very high93Very high114 Ų114105.3 Ų105.356%0.56250%0.499SS*.Hα-helixtrans-58-41-176.4-66.9-57.6-71.400113.3P82 H86 R87 I88P82-M84 HydrophobicContact CB-SD 4.31Å; P82-M84 PolarHBondContact O-N 3.3Å; M84-H86 VanDerWaalsContact C-N 3.28Å; M84-H86 PolarHBondContact O-N 3.13Å; M84-R87 PolarHBondContact O-N 2.96Å; M84-R87 VanDerWaalsContact O-N 3.16Å; M84-I88 VanDerWaalsContact O-CG1 3.32Å; M84-I88 WeakPolarHBondContact O-CG1 3.47Å; M84-I88 PolarHBondContact O-N 3.09Å
85K94.3Very high92.9Very high180 Ų180105.2 Ų105.278%0.78350%0.502SS*.Hα-helixtrans-56.2-41.3176.4-174.3177.2-177.7176.30112.5V83 K89V83-K85 VanDerWaalsContact C-N 3.34Å; V83-K85 PolarHBondContact O-N 3.36Å; K85-K89 WeakPolarHBondContact O-CB 3.42Å; K85-K89 PolarHBondContact O-N 3.1Å; K85-K89 VanDerWaalsContact O-N 3.07Å
86H94.1Very high92.7Very high51 Ų51102.2 Ų102.224%0.23650%0.495CS..Hα-helixtrans-67.1-46.4177.317575.1000111.2S72 K75 V83 M84 K89 L90S72-H86 PolarHBondContact O-NE2 3.45Å; K75-H86 VanDerWaalsContact CB-CD2 3.46Å; K75-H86 WeakPolarHBondContact CB-CD2 3.37Å; K75-H86 HydrophobicContact CD-CB 4.08Å; V83-H86 HydrophobicContact CB-CB 4.05Å; V83-H86 HydrophobicContact CG1-CB 3.78Å; V83-H86 WeakPolarHBondContact O-CB 3.35Å; V83-H86 PolarHBondContact O-N 2.86Å; V83-H86 VanDerWaalsContact O-N 3.12Å; M84-H86 VanDerWaalsContact C-N 3.28Å; M84-H86 PolarHBondContact O-N 3.13Å; H86-K89 PolarHBondContact O-N 2.85Å; H86-L90 WeakPolarHBondContact NE2-CD1 3.39Å; H86-L90 WeakPolarHBondContact O-CG 3.32Å; H86-L90 PolarHBondContact O-N 3.19Å
87R92.8Very high91.8Very high73 Ų73103.4 Ų103.428%0.27551%0.508SS..Hα-helixtrans-61-47.6178.1-67.4-176.5172.6-176.6-0.1112.2M73 V83 M84 K89 L90 L91M73-R87 HydrophobicContact CB-CG 4.09Å; M73-R87 HydrophobicContact CG-CG 4.21Å; M73-R87 PolarHBondContact O-NE 3.48Å; V83-R87 PolarHBondContact O-N 3.16Å; V83-R87 VanDerWaalsContact O-N 3.16Å; M84-R87 PolarHBondContact O-N 2.96Å; M84-R87 VanDerWaalsContact O-N 3.16Å; R87-K89 VanDerWaalsContact C-N 3.33Å; R87-K89 PolarHBondContact O-N 3.16Å; R87-L90 PolarHBondContact O-N 2.91Å; R87-L91 WeakPolarHBondContact O-CG 3.42Å; R87-L91 PolarHBondContact O-N 2.74Å
88I92.6Very high91Very high84 Ų84103.6 Ų103.643%0.43152%0.522SS..Hα-helixtrans-60-44.9177.6-66.3165.5000110.2M84 L90 L91 L92M84-I88 VanDerWaalsContact O-CG1 3.32Å; M84-I88 WeakPolarHBondContact O-CG1 3.47Å; M84-I88 PolarHBondContact O-N 3.09Å; I88-L90 VanDerWaalsContact C-N 3.31Å; I88-L90 PolarHBondContact O-N 3.49Å; I88-L91 PolarHBondContact O-N 3.45Å; I88-L91 VanDerWaalsContact O-N 3.13Å; I88-L92 HydrophobicContact CG2-CD1 3.83Å; I88-L92 HydrophobicContact CG2-CG 4.14Å; I88-L92 WeakPolarHBondContact O-CG 3.37Å; I88-L92 PolarHBondContact O-N 2.88Å
89K92.6Very high89.7Confident159 Ų15997.3 Ų97.369%0.69151%0.508SS*.Hα-helixtrans-56.7-44.5175.9-175.4177.6-178.9176.70112.1K85 H86 R87 K93K85-K89 WeakPolarHBondContact O-CB 3.42Å; K85-K89 PolarHBondContact O-N 3.1Å; K85-K89 VanDerWaalsContact O-N 3.07Å; H86-K89 PolarHBondContact O-N 2.85Å; R87-K89 VanDerWaalsContact C-N 3.33Å; R87-K89 PolarHBondContact O-N 3.16Å; K89-K93 PolarHBondContact O-N 3.46Å; K89-K93 VanDerWaalsContact O-N 3.1Å
90L91.9Very high87.7Confident42 Ų4296 Ų9622%0.2252%0.523CS..Hα-helixtrans-64.7-39.1176.7-70.8177.7000112.5S72 M73 H86 R87 I88 Q94S72-L90 WeakPolarHBondContact O-CD1 3.38Å; M73-L90 HydrophobicContact CG-CD1 3.93Å; H86-L90 WeakPolarHBondContact NE2-CD1 3.39Å; H86-L90 WeakPolarHBondContact O-CG 3.32Å; H86-L90 PolarHBondContact O-N 3.19Å; R87-L90 PolarHBondContact O-N 2.91Å; I88-L90 VanDerWaalsContact C-N 3.31Å; I88-L90 PolarHBondContact O-N 3.49Å; L90-Q94 WeakPolarHBondContact O-CG 3.42Å; L90-Q94 PolarHBondContact O-N 3.14Å
91L90.9Very high87.4Confident74 Ų7498.7 Ų98.739%0.38753%0.527SS..Hα-helixtrans-68-43.5177.6-69.5171.9000112M73 R87 I88 K93 Q94 L95M73-L91 HydrophobicContact SD-CD2 4.41Å; R87-L91 WeakPolarHBondContact O-CG 3.42Å; R87-L91 PolarHBondContact O-N 2.74Å; I88-L91 PolarHBondContact O-N 3.45Å; I88-L91 VanDerWaalsContact O-N 3.13Å; L91-K93 PolarHBondContact O-N 3.16Å; L91-Q94 WeakPolarHBondContact O-CB 3.42Å; L91-Q94 PolarHBondContact O-N 3.12Å; L91-Q94 VanDerWaalsContact O-N 3.09Å; L91-L95 PolarHBondContact O-N 3.1Å
92L91.5Very high87Confident98 Ų9897.4 Ų97.451%0.51353%0.525SS..Hα-helixtrans-62-43.1177.5-71.4174.8000111.5I88 Q94 L95 C96I88-L92 HydrophobicContact CG2-CD1 3.83Å; I88-L92 HydrophobicContact CG2-CG 4.14Å; I88-L92 WeakPolarHBondContact O-CG 3.37Å; I88-L92 PolarHBondContact O-N 2.88Å; L92-Q94 PolarHBondContact O-N 3.03Å; L92-Q94 VanDerWaalsContact O-N 3.16Å; L92-L95 PolarHBondContact O-N 3.07Å; L92-C96 PolarHBondContact O-N 3.32Å
93K89.8Confident86.6Confident137 Ų137100.3 Ų100.360%0.59654%0.537SS*.Hα-helixtrans-57.9-29.9174.6-172.5175.1-178.3177.40112.9K89 L91K89-K93 PolarHBondContact O-N 3.46Å; K89-K93 VanDerWaalsContact O-N 3.1Å; L91-K93 PolarHBondContact O-N 3.16Å
94Q87.3Confident86.1Confident95 Ų95104.1 Ų104.144%0.44456%0.557SS.*Hα-helixtrans-77.5-30.3176.9-70.7176.38.100113.2L90 L91 L92L90-Q94 WeakPolarHBondContact O-CG 3.42Å; L90-Q94 PolarHBondContact O-N 3.14Å; L91-Q94 WeakPolarHBondContact O-CB 3.42Å; L91-Q94 PolarHBondContact O-N 3.12Å; L91-Q94 VanDerWaalsContact O-N 3.09Å; L92-Q94 PolarHBondContact O-N 3.03Å; L92-Q94 VanDerWaalsContact O-N 3.16Å
95L88.9Confident85.6Confident138 Ų138103.5 Ų103.572%0.72356%0.556SS**Hα-helixtrans-81.8-36178.9-65.3174.2000111.6L91 L92 P97L91-L95 PolarHBondContact O-N 3.1Å; L92-L95 PolarHBondContact O-N 3.07Å; L95-P97 WeakPolarHBondContact O-CD 3.38Å
96C87.9Confident85.1Confident53 Ų5398.4 Ų98.436%0.35854%0.541SS..  trans-121.678.6-179.7-59.30000110.6L92 G98 D99L92-C96 PolarHBondContact O-N 3.32Å; C96-G98 PolarHBondContact O-N 3.04Å; C96-D99 HydrophobicContact CB-CB 3.83Å; C96-D99 VanDerWaalsContact CB-OD2 3.26Å; C96-D99 WeakPolarHBondContact CB-OD2 3.26Å; C96-D99 PolarHBondContact O-N 3.33Å; C96-D99 PolarHBondContact SG-OD2 3.25Å
97P78.2Confident84.4Confident114 Ų114101.8 Ų101.874%0.7456%0.563SS**THydrogen-bonded Turntrans-66.6-4.7-177.124.8-32.9000115.1L95L95-P97 WeakPolarHBondContact O-CD 3.38Å
98G77Confident83.8Confident65 Ų65104 Ų10467%0.6759%0.585SS**THydrogen-bonded Turntrans-110-8.9176.600000115.3C96 S100C96-G98 PolarHBondContact O-N 3.04Å; G98-S100 PolarHBondContact O-N 3.27Å
99D65.6Low83Confident131 Ų131105.7 Ų105.770%0.70160%0.598SS**  trans-95.973.7-176.7-62.3-17.7000109.5C96C96-D99 HydrophobicContact CB-CB 3.83Å; C96-D99 VanDerWaalsContact CB-OD2 3.26Å; C96-D99 WeakPolarHBondContact CB-OD2 3.26Å; C96-D99 PolarHBondContact O-N 3.33Å; C96-D99 PolarHBondContact SG-OD2 3.25Å
100S55Low82.2Confident162 Ų162100.8 Ų100.8100%1.13359%0.589SS**  trans-148.20168.759.30000112G98G98-S100 PolarHBondContact O-N 3.27Å

Retrieved 100 of 100 residues in 24.1 ms (Link to these results)