A0A059QPH2_HUMAN Loading...

NADH-ubiquinone oxidoreductase chain 3

Core subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I) which catalyzes electron transfer from NADH through the respiratory chain, using ubiquinone as an electron acceptor. Essential for the catalytic activity of complex I.

AlphaFold DB , UniProt , Accession A0A059QPH2, Species HUMAN (Homo sapiens, Human), Gene ND3, Length 90 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
1M74.2Confident94.7Very high189 Ų189109.4 Ų109.493%0.93157%0.574SS**  0-58.10-147.994.480.800111.6F3 A4 L5M1-F3 PolarHBondContact O-N 3.5Å; M1-A4 PolarHBondContact O-N 3.36Å; M1-L5 HydrophobicContact CG-CD1 4.22Å; M1-L5 WeakPolarHBondContact O-CG 3.19Å; M1-L5 PolarHBondContact O-N 3.26Å
2N93.9Very high95Very high125 Ų125109.3 Ų109.367%0.66857%0.574SS**Hα-helixtrans-60.3-41.3-172.8-60.13.4000114.4L5 I6N2-L5 WeakPolarHBondContact O-CB 3.28Å; N2-L5 PolarHBondContact O-N 3.45Å; N2-I6 WeakPolarHBondContact O-CG1 3.44Å; N2-I6 PolarHBondContact O-N 3.05Å
3F95.1Very high95.2Very high153 Ų153108.5 Ų108.567%0.67157%0.569SS**Hα-helixtrans-62.3-44.3176.6-178.3-107.5000112.6M1 L5 I6 L7M1-F3 PolarHBondContact O-N 3.5Å; F3-L5 VanDerWaalsContact C-N 3.31Å; F3-L5 PolarHBondContact O-N 3.3Å; F3-I6 PolarHBondContact O-N 3.03Å; F3-L7 HydrophobicContact CD1-CD1 3.93Å; F3-L7 HydrophobicContact CE1-CD1 3.4Å; F3-L7 VanDerWaalsContact CE1-CD1 3.4Å; F3-L7 HydrophobicContact CE1-CG 4.19Å; F3-L7 HydrophobicContact CZ-CD1 3.78Å; F3-L7 HydrophobicContact CZ-CD2 4.44Å; F3-L7 HydrophobicContact CZ-CG 4.19Å; F3-L7 PolarHBondContact O-N 3.28Å
4A96Very high95.4Very high56 Ų56105.1 Ų105.146%0.46357%0.565SS.*Hα-helixtrans-64-37.1176.100000112M1 L7 M8M1-A4 PolarHBondContact O-N 3.36Å; A4-L7 PolarHBondContact O-N 3.05Å; A4-M8 PolarHBondContact O-N 3.41Å
5L96.8Very high95.6Very high90 Ų90104.3 Ų104.347%0.47156%0.56SS.*Hα-helixtrans-63.5-43.6174.1-69.9170.8000111.8M1 N2 F3 L7 M8 I9M1-L5 HydrophobicContact CG-CD1 4.22Å; M1-L5 WeakPolarHBondContact O-CG 3.19Å; M1-L5 PolarHBondContact O-N 3.26Å; N2-L5 WeakPolarHBondContact O-CB 3.28Å; N2-L5 PolarHBondContact O-N 3.45Å; F3-L5 VanDerWaalsContact C-N 3.31Å; F3-L5 PolarHBondContact O-N 3.3Å; L5-L7 PolarHBondContact O-N 3.43Å; L5-M8 PolarHBondContact O-N 3.26Å; L5-I9 VanDerWaalsContact O-CG1 3.26Å; L5-I9 WeakPolarHBondContact O-CG1 3.43Å; L5-I9 PolarHBondContact O-N 3.15Å
6I97.4Very high95.7Very high97 Ų97103.4 Ų103.450%0.49755%0.554SS.*Hα-helixtrans-61.3-45.7176.7-67.8163.5000110.7N2 F3 M8 I9 N10N2-I6 WeakPolarHBondContact O-CG1 3.44Å; N2-I6 PolarHBondContact O-N 3.05Å; F3-I6 PolarHBondContact O-N 3.03Å; I6-M8 PolarHBondContact O-N 2.91Å; I6-I9 PolarHBondContact O-N 3.41Å; I6-N10 PolarHBondContact O-N 2.82Å; I6-N10 PolarHBondContact O-ND2 3.19Å
7L97.4Very high95.8Very high87 Ų87103.1 Ų103.146%0.45555%0.552SS.*Hα-helixtrans-60.8-44176.5-72.4176.1000111.9F3 A4 L5 N10 T11F3-L7 HydrophobicContact CD1-CD1 3.93Å; F3-L7 HydrophobicContact CE1-CD1 3.4Å; F3-L7 VanDerWaalsContact CE1-CD1 3.4Å; F3-L7 HydrophobicContact CE1-CG 4.19Å; F3-L7 HydrophobicContact CZ-CD1 3.78Å; F3-L7 HydrophobicContact CZ-CD2 4.44Å; F3-L7 HydrophobicContact CZ-CG 4.19Å; F3-L7 PolarHBondContact O-N 3.28Å; A4-L7 PolarHBondContact O-N 3.05Å; L5-L7 PolarHBondContact O-N 3.43Å; L7-N10 PolarHBondContact O-N 3.08Å; L7-T11 WeakPolarHBondContact O-CG2 3.44Å; L7-T11 PolarHBondContact O-N 3.42Å; L7-T11 VanDerWaalsContact O-N 3.12Å; L7-T11 PolarHBondContact O-OG1 3.42Å
8M97.6Very high95.9Very high122 Ų122104.2 Ų104.260%0.60156%0.555SS**Hα-helixtrans-62.5-42.9176.6-82.5-162.8-177.700112.7A4 L5 I6 N10 T11 L12A4-M8 PolarHBondContact O-N 3.41Å; L5-M8 PolarHBondContact O-N 3.26Å; I6-M8 PolarHBondContact O-N 2.91Å; M8-N10 VanDerWaalsContact C-N 3.34Å; M8-N10 PolarHBondContact O-N 3.14Å; M8-T11 PolarHBondContact O-N 2.99Å; M8-T11 PolarHBondContact O-OG1 2.94Å; M8-L12 VanDerWaalsContact O-CB 3.3Å; M8-L12 WeakPolarHBondContact O-CB 3.36Å; M8-L12 WeakPolarHBondContact O-CD1 3.42Å; M8-L12 VanDerWaalsContact O-CG 3.28Å; M8-L12 WeakPolarHBondContact O-CG 3.06Å; M8-L12 PolarHBondContact O-N 3.4Å
9I97.8Very high95.9Very high107 Ų107103.9 Ų103.955%0.54955%0.552SS.*Hα-helixtrans-63.2-43.2179.8-69.6163.9000110.5L5 I6 L12 L13L5-I9 VanDerWaalsContact O-CG1 3.26Å; L5-I9 WeakPolarHBondContact O-CG1 3.43Å; L5-I9 PolarHBondContact O-N 3.15Å; I6-I9 PolarHBondContact O-N 3.41Å; I9-L12 PolarHBondContact O-N 3.49Å; I9-L13 WeakPolarHBondContact O-CB 3.47Å; I9-L13 PolarHBondContact O-N 3.28Å
10N97.8Very high96Very high95 Ų95102.7 Ų102.751%0.50855%0.545SS..Hα-helixtrans-64.5-43.4179.9-71.6-16.3000112.4I6 L7 M8 L13 A14I6-N10 PolarHBondContact O-N 2.82Å; I6-N10 PolarHBondContact O-ND2 3.19Å; L7-N10 PolarHBondContact O-N 3.08Å; M8-N10 VanDerWaalsContact C-N 3.34Å; M8-N10 PolarHBondContact O-N 3.14Å; N10-L13 PolarHBondContact O-N 3.36Å; N10-A14 PolarHBondContact O-N 3.11Å
11T97.7Very high95.9Very high82 Ų82102.3 Ų102.350%0.50355%0.547SS..Hα-helixtrans-68.8-40.4178.755.50000111.7L7 M8 A14 L15L7-T11 WeakPolarHBondContact O-CG2 3.44Å; L7-T11 PolarHBondContact O-N 3.42Å; L7-T11 VanDerWaalsContact O-N 3.12Å; L7-T11 PolarHBondContact O-OG1 3.42Å; M8-T11 PolarHBondContact O-N 2.99Å; M8-T11 PolarHBondContact O-OG1 2.94Å; T11-A14 PolarHBondContact O-N 3.37Å; T11-L15 WeakPolarHBondContact O-CG 3.48Å; T11-L15 PolarHBondContact O-N 2.91Å
12L98.1Very high96.8Very high109 Ų10999.5 Ų99.557%0.57153%0.53SS*.Hα-helixtrans-62.2-42174.5-78.1166.5000111.9M8 I9 L15 L16M8-L12 VanDerWaalsContact O-CB 3.3Å; M8-L12 WeakPolarHBondContact O-CB 3.36Å; M8-L12 WeakPolarHBondContact O-CD1 3.42Å; M8-L12 VanDerWaalsContact O-CG 3.28Å; M8-L12 WeakPolarHBondContact O-CG 3.06Å; M8-L12 PolarHBondContact O-N 3.4Å; I9-L12 PolarHBondContact O-N 3.49Å; L12-L15 PolarHBondContact O-N 3.39Å; L12-L16 VanDerWaalsContact O-CB 3.26Å; L12-L16 WeakPolarHBondContact O-CB 3.46Å; L12-L16 PolarHBondContact O-N 3.29Å
13L98Very high96.7Very high98 Ų98102.9 Ų102.951%0.51353%0.533SS..Hα-helixtrans-62.8-44.8177.1-17468.8000111.4I9 N10 L15 L16 L17I9-L13 WeakPolarHBondContact O-CB 3.47Å; I9-L13 PolarHBondContact O-N 3.28Å; N10-L13 PolarHBondContact O-N 3.36Å; L13-L15 PolarHBondContact O-N 3.5Å; L13-L16 PolarHBondContact O-N 3.06Å; L13-L17 HydrophobicContact CG-CD1 4.48Å; L13-L17 WeakPolarHBondContact O-CG 3.3Å; L13-L17 PolarHBondContact O-N 3.01Å
14A98Very high96.6Very high61 Ų61102.4 Ų102.450%0.50454%0.537SS..Hα-helixtrans-61.8-43.2176.900000112.1N10 T11 L17 M18N10-A14 PolarHBondContact O-N 3.11Å; T11-A14 PolarHBondContact O-N 3.37Å; A14-L17 PolarHBondContact O-N 3.48Å; A14-M18 WeakPolarHBondContact O-CB 3.46Å; A14-M18 PolarHBondContact O-N 3.49Å
15L97.8Very high96.3Very high93 Ų93103.1 Ų103.149%0.48754%0.537SS..Hα-helixtrans-64.9-42.1175.9-74.8168.8000112T11 L12 L13 L17 M18 I19T11-L15 WeakPolarHBondContact O-CG 3.48Å; T11-L15 PolarHBondContact O-N 2.91Å; L12-L15 PolarHBondContact O-N 3.39Å; L13-L15 PolarHBondContact O-N 3.5Å; L15-L17 PolarHBondContact O-N 3.2Å; L15-M18 WeakPolarHBondContact O-CB 3.4Å; L15-M18 PolarHBondContact O-N 3.1Å; L15-I19 VanDerWaalsContact O-CG1 3.27Å; L15-I19 WeakPolarHBondContact O-CG1 3.49Å; L15-I19 PolarHBondContact O-N 3.38Å
16L97.9Very high95.8Very high91 Ų91107.5 Ų107.548%0.47656%0.555SS.*Hα-helixtrans-61.3-44.8177.8-178.5148.8000111.1L12 L13 I19 I20L12-L16 VanDerWaalsContact O-CB 3.26Å; L12-L16 WeakPolarHBondContact O-CB 3.46Å; L12-L16 PolarHBondContact O-N 3.29Å; L13-L16 PolarHBondContact O-N 3.06Å; L16-I19 PolarHBondContact O-N 3.46Å; L16-I20 HydrophobicContact CD2-CD1 3.46Å; L16-I20 VanDerWaalsContact CD2-CD1 3.46Å; L16-I20 HydrophobicContact CD2-CG1 4.35Å; L16-I20 HydrophobicContact CG-CD1 4.33Å; L16-I20 WeakPolarHBondContact O-CG1 3.45Å; L16-I20 PolarHBondContact O-N 3.43Å
17L97.5Very high95Very high97 Ų97108.9 Ų108.951%0.50856%0.562SS.*Hα-helixtrans-64.4-39.3175.7-68.8173.8000112.1L13 A14 L15 I19 I20 T21L13-L17 HydrophobicContact CG-CD1 4.48Å; L13-L17 WeakPolarHBondContact O-CG 3.3Å; L13-L17 PolarHBondContact O-N 3.01Å; A14-L17 PolarHBondContact O-N 3.48Å; L15-L17 PolarHBondContact O-N 3.2Å; L17-I19 VanDerWaalsContact C-N 3.35Å; L17-I19 PolarHBondContact O-N 3.06Å; L17-I20 PolarHBondContact O-N 3.12Å; L17-T21 WeakPolarHBondContact O-CG2 3.14Å; L17-T21 PolarHBondContact O-N 3.22Å; L17-T21 PolarHBondContact O-OG1 3.5Å
18M96.8Very high94.3Very high123 Ų123109 Ų10961%0.60656%0.563SS**Hα-helixtrans-60.8-43.6173.6-174.4-168.3-67.300111.5A14 L15 T21 F22A14-M18 WeakPolarHBondContact O-CB 3.46Å; A14-M18 PolarHBondContact O-N 3.49Å; L15-M18 WeakPolarHBondContact O-CB 3.4Å; L15-M18 PolarHBondContact O-N 3.1Å; M18-T21 WeakPolarHBondContact CA-OG1 3.24Å; M18-T21 PolarHBondContact O-N 3.21Å; M18-T21 PolarHBondContact O-OG1 3.15Å; M18-F22 WeakPolarHBondContact O-CB 3.38Å; M18-F22 PolarHBondContact O-N 3.37Å
19I96.5Very high93.5Very high99 Ų99107.1 Ų107.151%0.50858%0.576SS.*Hα-helixtrans-63.8-47.7177.2-67.8163.2000110L15 L16 L17 T21 F22 W23L15-I19 VanDerWaalsContact O-CG1 3.27Å; L15-I19 WeakPolarHBondContact O-CG1 3.49Å; L15-I19 PolarHBondContact O-N 3.38Å; L16-I19 PolarHBondContact O-N 3.46Å; L17-I19 VanDerWaalsContact C-N 3.35Å; L17-I19 PolarHBondContact O-N 3.06Å; I19-T21 VanDerWaalsContact C-N 3.32Å; I19-T21 PolarHBondContact O-N 3.41Å; I19-F22 PolarHBondContact O-N 3.29Å; I19-W23 HydrophobicContact CG2-CG 4.5Å; I19-W23 WeakPolarHBondContact O-CB 3.22Å; I19-W23 PolarHBondContact O-N 2.77Å
20I96.8Very high92.8Very high79 Ų79108.6 Ų108.641%0.40558%0.575SS.*Hα-helixtrans-58.1-47.1178.5-68.1172.1000110.7L16 L17 F22 W23 L24L16-I20 HydrophobicContact CD2-CD1 3.46Å; L16-I20 VanDerWaalsContact CD2-CD1 3.46Å; L16-I20 HydrophobicContact CD2-CG1 4.35Å; L16-I20 HydrophobicContact CG-CD1 4.33Å; L16-I20 WeakPolarHBondContact O-CG1 3.45Å; L16-I20 PolarHBondContact O-N 3.43Å; L17-I20 PolarHBondContact O-N 3.12Å; I20-F22 VanDerWaalsContact C-N 3.28Å; I20-F22 PolarHBondContact O-N 3.4Å; I20-W23 PolarHBondContact O-N 3.21Å; I20-L24 HydrophobicContact CG2-CB 4.34Å; I20-L24 HydrophobicContact CG2-CD2 4.22Å; I20-L24 WeakPolarHBondContact O-CB 3.36Å; I20-L24 PolarHBondContact O-N 3.24Å
21T95.3Very high92Very high96 Ų96111 Ų11159%0.58959%0.585SS**Hα-helixtrans-66.2-28.4-178.751.70000113.5L17 M18 I19 P25L17-T21 WeakPolarHBondContact O-CG2 3.14Å; L17-T21 PolarHBondContact O-N 3.22Å; L17-T21 PolarHBondContact O-OG1 3.5Å; M18-T21 WeakPolarHBondContact CA-OG1 3.24Å; M18-T21 PolarHBondContact O-N 3.21Å; M18-T21 PolarHBondContact O-OG1 3.15Å; I19-T21 VanDerWaalsContact C-N 3.32Å; I19-T21 PolarHBondContact O-N 3.41Å; T21-P25 WeakPolarHBondContact O-CD 3.3Å; T21-P25 WeakPolarHBondContact O-CG 3.46Å
22F92.5Very high91.1Very high129 Ų129114 Ų11457%0.56659%0.594SS**Hα-helixtrans-80-38.1176.2-170.2-96.7000113.1M18 I19 I20M18-F22 WeakPolarHBondContact O-CB 3.38Å; M18-F22 PolarHBondContact O-N 3.37Å; I19-F22 PolarHBondContact O-N 3.29Å; I20-F22 VanDerWaalsContact C-N 3.28Å; I20-F22 PolarHBondContact O-N 3.4Å
23W92.3Very high90.4Very high197 Ų197116 Ų11675%0.74660%0.598SS**Hα-helixtrans-97.2-22.3-171-71.288.2000114.9I19 I20I19-W23 HydrophobicContact CG2-CG 4.5Å; I19-W23 WeakPolarHBondContact O-CB 3.22Å; I19-W23 PolarHBondContact O-N 2.77Å; I20-W23 PolarHBondContact O-N 3.21Å
24L92.5Very high89.9Confident142 Ų142115.6 Ų115.674%0.74360%0.603SS**SBendtrans-73.6-39.2-180-168.871.2000113.8I20I20-L24 HydrophobicContact CG2-CB 4.34Å; I20-L24 HydrophobicContact CG2-CD2 4.22Å; I20-L24 WeakPolarHBondContact O-CB 3.36Å; I20-L24 PolarHBondContact O-N 3.24Å
25P90.9Very high89.3Confident72 Ų72115.8 Ų115.847%0.46860%0.598SS.*SBendtrans-74.3149.3179.9-17.733.3000113.3T21 L27T21-P25 WeakPolarHBondContact O-CD 3.3Å; T21-P25 WeakPolarHBondContact O-CG 3.46Å; P25-L27 PolarHBondContact O-N 2.99Å
26Q84.3Confident88.9Confident181 Ų181115.8 Ų115.885%0.84660%0.604SS**  trans-73.7115168.6-70.6-178.5-20.500110.4N28Q26-N28 PolarHBondContact O-N 3.42Å
27L81.6Confident88.3Confident126 Ų126121 Ų12166%0.6662%0.618SS**  trans-8789.6-179.7-63172.9000110.9P25 G29P25-L27 PolarHBondContact O-N 2.99Å; L27-G29 PolarHBondContact O-N 2.85Å
28N82.4Confident87.9Confident89 Ų89120 Ų12048%0.47661%0.611SS.*  trans-90.899.7169-69.7-9.1000110Q26 Y30Q26-N28 PolarHBondContact O-N 3.42Å; N28-Y30 HydrophobicContact CB-CD2 4.19Å; N28-Y30 HydrophobicContact CB-CE2 3.55Å; N28-Y30 WeakPolarHBondContact O-CD2 3.27Å; N28-Y30 PolarHBondContact O-N 2.85Å
29G80.3Confident87.4Confident83 Ų83118.8 Ų118.886%0.85661%0.614SS**  trans-78.795.3179.500000112.5L27L27-G29 PolarHBondContact O-N 2.85Å
30Y83.3Confident86.9Confident139 Ų139117.2 Ų117.255%0.54562%0.621SS.*  trans-101.7144.7167.3-56.7-78.7000109.1N28 E32 K33 S34N28-Y30 HydrophobicContact CB-CD2 4.19Å; N28-Y30 HydrophobicContact CB-CE2 3.55Å; N28-Y30 WeakPolarHBondContact O-CD2 3.27Å; N28-Y30 PolarHBondContact O-N 2.85Å; Y30-E32 VanDerWaalsContact C-N 3.26Å; Y30-E32 PolarHBondContact O-N 3.28Å; Y30-K33 HydrophobicContact CD2-CD 3.94Å; Y30-K33 HydrophobicContact CD2-CG 4.49Å; Y30-K33 PolarHBondContact O-N 3.5Å; Y30-S34 PolarHBondContact O-N 2.88Å
31M80.9Confident86.3Confident144 Ų144120.3 Ų120.371%0.70963%0.632SS**Hα-helixtrans-52.9-44.2179.6-71.2-61.7-63.300112.1K33 S34 T35M31-K33 PolarHBondContact O-N 2.92Å; M31-S34 PolarHBondContact O-N 3.27Å; M31-S34 PolarHBondContact O-OG 3.1Å; M31-T35 PolarHBondContact O-N 3.07Å
32E80.3Confident85.9Confident147 Ų147121.9 Ų121.969%0.68764%0.637SS**Hα-helixtrans-64.1-20178.2-55.4-53.7146.100114.9Y30 T35Y30-E32 VanDerWaalsContact C-N 3.26Å; Y30-E32 PolarHBondContact O-N 3.28Å; E32-T35 PolarHBondContact O-OG1 3.12Å
33K83.4Confident85.5Confident150 Ų150118.9 Ų118.965%0.65263%0.63SS**Hα-helixtrans-84.7-17173.7-68.3-173.1-178.1175.80112.4Y30 M31Y30-K33 HydrophobicContact CD2-CD 3.94Å; Y30-K33 HydrophobicContact CD2-CG 4.49Å; Y30-K33 PolarHBondContact O-N 3.5Å; M31-K33 PolarHBondContact O-N 2.92Å
34S86.2Confident85Confident89 Ų89117 Ų11762%0.62263%0.632SS**Hα-helixtrans-96.5-6.9179.565.50000113.2Y30 M31Y30-S34 PolarHBondContact O-N 2.88Å; M31-S34 PolarHBondContact O-N 3.27Å; M31-S34 PolarHBondContact O-OG 3.1Å
35T86.8Confident84.4Confident66 Ų66113.6 Ų113.641%0.40562%0.62SS.*SBendtrans-82.2150.8175.250.20000111.5M31 E32M31-T35 PolarHBondContact O-N 3.07Å; E32-T35 PolarHBondContact O-OG1 3.12Å
36P87.9Confident84.1Confident93 Ų93115 Ų11560%0.60463%0.629SS**  trans-62.2136.7175.6-1931.7000111.6E38P36-E38 PolarHBondContact O-N 3.11Å
37Y86.8Confident83.9Confident199 Ų199111.4 Ų111.478%0.7863%0.63SS**  trans-84.5112.8176.3179.6-99.4000111.3
38E87.8Confident83.9Confident78 Ų78116.5 Ų116.536%0.36464%0.641SS.*BIsolated β-bridgetrans-118.463.8172.6-164.5165.9151.400110.3P36 G40 F41 P43P36-E38 PolarHBondContact O-N 3.11Å; E38-G40 PolarHBondContact O-N 3.27Å; E38-G40 VanDerWaalsContact O-N 3.14Å; E38-F41 WeakPolarHBondContact O-CB 3.43Å; E38-F41 PolarHBondContact O-N 3.26Å; E38-P43 WeakPolarHBondContact OE2-CA 3.15Å; E38-P43 WeakPolarHBondContact OE2-CB 3.28Å
39C86.9Confident83.9Confident97 Ų97117.2 Ų117.266%0.65565%0.648SS**THydrogen-bonded Turntrans58.527.8178.6-60.50000114.6
40G85.8Confident83.9Confident65 Ų65119.4 Ų119.467%0.6765%0.647SS**THydrogen-bonded Turntrans88.87.7-177.100000114.8E38E38-G40 PolarHBondContact O-N 3.27Å; E38-G40 VanDerWaalsContact O-N 3.14Å
41F84.1Confident83.7Confident145 Ų145119.4 Ų119.464%0.63665%0.65SS**BIsolated β-bridgetrans-110158.2174.4-61.9-85.1000111.6E38E38-F41 WeakPolarHBondContact O-CB 3.43Å; E38-F41 PolarHBondContact O-N 3.26Å
42D86.3Confident83.9Confident129 Ų129115 Ų11569%0.6963%0.634SS**  trans-68.4144.5169.6-70.8-39000110.5M44D42-M44 PolarHBondContact O-N 3.31Å
43P84.7Confident84.2Confident65 Ų65114.4 Ų114.442%0.42263%0.632SS.*  trans-65.7120.2-174.324.6-33000112.2E38E38-P43 WeakPolarHBondContact OE2-CA 3.15Å; E38-P43 WeakPolarHBondContact OE2-CB 3.28Å
44M81.4Confident84.6Confident159 Ų159115.1 Ų115.178%0.78364%0.636SS**SBendtrans-78.4-23.2-175.8-68.4-71.5176.400112.7D42D42-M44 PolarHBondContact O-N 3.31Å
45S81.1Confident84.6Confident70 Ų70117.4 Ų117.449%0.4964%0.635SS.*SBendtrans-148.9157.1-179.1690000110.3A47S45-A47 PolarHBondContact O-N 2.96Å
46P82.8Confident84.8Confident100 Ų100119 Ų11965%0.64964%0.636SS**  trans-61.8139.5174.426.1-34.3000110.6R48P46-R48 PolarHBondContact O-N 3.48Å
47A81.5Confident85.1Confident106 Ų106119.7 Ų119.788%0.87663%0.634SS**SBendtrans-58.7-16.8177.900000114.2S45 V49S45-A47 PolarHBondContact O-N 2.96Å; A47-V49 PolarHBondContact O-N 3.18Å
48R81.8Confident85.5Confident234 Ų234114.6 Ų114.688%0.88362%0.623SS**  trans-88.789.7174.2-65.2-172.4-175.4-177.52.3109.9P46P46-R48 PolarHBondContact O-N 3.48Å
49V80.7Confident85.9Confident103 Ų103113.5 Ų113.562%0.62463%0.628SS**PPolyproline II helixtrans-85.9152.5171.7-68.60000111.1A47 F51A47-V49 PolarHBondContact O-N 3.18Å; V49-F51 PolarHBondContact O-N 2.99Å
50P81.4Confident86.3Confident129 Ų129112.2 Ų112.284%0.83861%0.613SS**PPolyproline II helixtrans-56.3127.8173.123.4-33.2000110.1
51F78.1Confident86.8Confident139 Ų139112.1 Ų112.161%0.6160%0.6SS**PPolyproline II helixtrans-73.8140.3-174.2-174.2-109.5000111.4V49 M53 F55 F56V49-F51 PolarHBondContact O-N 2.99Å; F51-M53 PolarHBondContact O-N 3.14Å; F51-F55 HydrophobicContact CE1-CB 3.76Å; F51-F55 HydrophobicContact CE2-CB 3.98Å; F51-F55 HydrophobicContact CE2-CD2 4.45Å; F51-F55 HydrophobicContact CZ-CB 3.28Å; F51-F55 HydrophobicContact CZ-CG 4.31Å; F51-F56 HydrophobicContact CD1-CB 4.25Å; F51-F56 HydrophobicContact CE1-CB 3.84Å
52S86.6Confident87.4Confident53 Ų53111.9 Ų111.937%0.37160%0.599SS.*PPolyproline II helixtrans-71.4125.9176.3172.50000110.9K54 F55S52-K54 PolarHBondContact O-N 3.44Å; S52-K54 PolarHBondContact OG-N 3.5Å; S52-F55 PolarHBondContact O-N 3.03Å; S52-F55 VanDerWaalsContact O-N 3.15Å
53M86.9Confident87.9Confident133 Ų133111.1 Ų111.166%0.65560%0.595SS**Hα-helixtrans-58-22.4177.7-65.3-63.3-84.200113.2F51 F56 L57F51-M53 PolarHBondContact O-N 3.14Å; M53-F56 WeakPolarHBondContact O-CB 3.28Å; M53-F56 PolarHBondContact O-N 3.5Å; M53-L57 WeakPolarHBondContact O-CG 3.14Å; M53-L57 PolarHBondContact O-N 3.2Å
54K90.4Very high88.6Confident166 Ų166112.6 Ų112.672%0.72260%0.598SS**Hα-helixtrans-63.9-42.9177.9-61.4-177.3-177176.90111.9S52 F56 L57 V58S52-K54 PolarHBondContact O-N 3.44Å; S52-K54 PolarHBondContact OG-N 3.5Å; K54-F56 VanDerWaalsContact C-N 3.29Å; K54-F56 PolarHBondContact O-N 3.19Å; K54-L57 PolarHBondContact O-N 3.44Å; K54-V58 PolarHBondContact O-N 2.97Å
55F87Confident89.3Confident137 Ų137110.8 Ų110.860%0.60159%0.586SS**Hα-helixtrans-72-28.2177.7-64.4-60.5000112F51 S52 V58 A59F51-F55 HydrophobicContact CE1-CB 3.76Å; F51-F55 HydrophobicContact CE2-CB 3.98Å; F51-F55 HydrophobicContact CE2-CD2 4.45Å; F51-F55 HydrophobicContact CZ-CB 3.28Å; F51-F55 HydrophobicContact CZ-CG 4.31Å; S52-F55 PolarHBondContact O-N 3.03Å; S52-F55 VanDerWaalsContact O-N 3.15Å; F55-V58 PolarHBondContact O-N 3.19Å; F55-A59 PolarHBondContact O-N 2.95Å
56F90.3Very high90.1Very high100 Ų100111.6 Ų111.644%0.43959%0.585SS.*Hα-helixtrans-65.9-43.1173.9-179.9-111000111.6F51 M53 K54 V58 A59 I60F51-F56 HydrophobicContact CD1-CB 4.25Å; F51-F56 HydrophobicContact CE1-CB 3.84Å; M53-F56 WeakPolarHBondContact O-CB 3.28Å; M53-F56 PolarHBondContact O-N 3.5Å; K54-F56 VanDerWaalsContact C-N 3.29Å; K54-F56 PolarHBondContact O-N 3.19Å; F56-V58 VanDerWaalsContact C-N 3.29Å; F56-V58 PolarHBondContact O-N 2.67Å; F56-A59 WeakPolarHBondContact O-CB 3.45Å; F56-A59 PolarHBondContact O-N 3.26Å; F56-A59 VanDerWaalsContact O-N 3.14Å; F56-I60 HydrophobicContact CD1-CD1 3.86Å; F56-I60 HydrophobicContact CE1-CD1 3.29Å; F56-I60 HydrophobicContact CE1-CG1 4.24Å; F56-I60 HydrophobicContact CE2-CD1 4.38Å; F56-I60 HydrophobicContact CZ-CD1 3.59Å; F56-I60 HydrophobicContact CZ-CG1 4.19Å; F56-I60 PolarHBondContact O-N 2.95Å; F56-I60 VanDerWaalsContact O-N 3.08Å
57L93.9Very high90.9Very high107 Ų107111.6 Ų111.656%0.5658%0.579SS**Hα-helixtrans-60.8-39175.1-70.4170.1000111.8M53 K54 A59 I60 T61M53-L57 WeakPolarHBondContact O-CG 3.14Å; M53-L57 PolarHBondContact O-N 3.2Å; K54-L57 PolarHBondContact O-N 3.44Å; L57-A59 VanDerWaalsContact C-N 3.32Å; L57-A59 PolarHBondContact O-N 3.34Å; L57-I60 PolarHBondContact O-N 3.25Å; L57-T61 WeakPolarHBondContact O-CG2 3.49Å; L57-T61 PolarHBondContact O-N 3Å; L57-T61 PolarHBondContact O-OG1 3.29Å
58V95.6Very high91.6Very high91 Ų91111.4 Ų111.455%0.55256%0.56SS**Hα-helixtrans-58.9-43.6174.4175.90000111.1K54 F55 F56 T61 F62K54-V58 PolarHBondContact O-N 2.97Å; F55-V58 PolarHBondContact O-N 3.19Å; F56-V58 VanDerWaalsContact C-N 3.29Å; F56-V58 PolarHBondContact O-N 2.67Å; V58-T61 WeakPolarHBondContact CA-OG1 3.43Å; V58-T61 PolarHBondContact O-N 2.99Å; V58-T61 PolarHBondContact O-OG1 3.01Å; V58-F62 WeakPolarHBondContact O-CB 3.43Å; V58-F62 PolarHBondContact O-N 3.36Å
59A95.7Very high92.3Very high55 Ų55105.2 Ų105.246%0.45554%0.543SS..Hα-helixtrans-64.3-40.1177.900000112.8F55 F56 L57 F62 L63F55-A59 PolarHBondContact O-N 2.95Å; F56-A59 WeakPolarHBondContact O-CB 3.45Å; F56-A59 PolarHBondContact O-N 3.26Å; F56-A59 VanDerWaalsContact O-N 3.14Å; L57-A59 VanDerWaalsContact C-N 3.32Å; L57-A59 PolarHBondContact O-N 3.34Å; A59-F62 PolarHBondContact O-N 3.07Å; A59-L63 PolarHBondContact O-N 3.47Å
60I96.3Very high93.1Very high70 Ų70103.2 Ų103.236%0.35954%0.538SS..Hα-helixtrans-64.9-46.5174.9-67.6173000110.6F56 L57 F62 L63 L64F56-I60 HydrophobicContact CD1-CD1 3.86Å; F56-I60 HydrophobicContact CE1-CD1 3.29Å; F56-I60 HydrophobicContact CE1-CG1 4.24Å; F56-I60 HydrophobicContact CE2-CD1 4.38Å; F56-I60 HydrophobicContact CZ-CD1 3.59Å; F56-I60 HydrophobicContact CZ-CG1 4.19Å; F56-I60 PolarHBondContact O-N 2.95Å; F56-I60 VanDerWaalsContact O-N 3.08Å; L57-I60 PolarHBondContact O-N 3.25Å; I60-F62 VanDerWaalsContact C-N 3.29Å; I60-F62 PolarHBondContact O-N 3.46Å; I60-L63 PolarHBondContact O-N 3.5Å; I60-L64 HydrophobicContact CG2-CD1 4.24Å; I60-L64 WeakPolarHBondContact O-CG 3.34Å; I60-L64 PolarHBondContact O-N 3.39Å
61T96.3Very high93.6Very high64 Ų64103 Ų10339%0.39353%0.529SS..Hα-helixtrans-62.9-38.4177.953.70000111.6L57 V58 L63 L64 F65L57-T61 WeakPolarHBondContact O-CG2 3.49Å; L57-T61 PolarHBondContact O-N 3Å; L57-T61 PolarHBondContact O-OG1 3.29Å; V58-T61 WeakPolarHBondContact CA-OG1 3.43Å; V58-T61 PolarHBondContact O-N 2.99Å; V58-T61 PolarHBondContact O-OG1 3.01Å; T61-L63 PolarHBondContact O-N 3.47Å; T61-L64 PolarHBondContact O-N 3.12Å; T61-F65 WeakPolarHBondContact O-CB 3.38Å; T61-F65 WeakPolarHBondContact O-CD2 3.3Å; T61-F65 WeakPolarHBondContact O-CG 3.46Å; T61-F65 PolarHBondContact O-N 3.48Å
62F97.2Very high94.3Very high140 Ų140101.3 Ų101.361%0.61453%0.526SS*.Hα-helixtrans-59.9-45.4173.6170-101.7000111.2V58 A59 I60 L64 F65 D66V58-F62 WeakPolarHBondContact O-CB 3.43Å; V58-F62 PolarHBondContact O-N 3.36Å; A59-F62 PolarHBondContact O-N 3.07Å; I60-F62 VanDerWaalsContact C-N 3.29Å; I60-F62 PolarHBondContact O-N 3.46Å; F62-L64 PolarHBondContact O-N 3.45Å; F62-F65 PolarHBondContact O-N 3.46Å; F62-D66 VanDerWaalsContact O-CB 3.27Å; F62-D66 WeakPolarHBondContact O-CB 3.45Å; F62-D66 PolarHBondContact O-N 3.34Å
63L96.9Very high94.7Very high113 Ų113104 Ų10459%0.59254%0.535SS*.Hα-helixtrans-61.8-43.5178.1-175.2152.6000112.3A59 I60 T61 L67A59-L63 PolarHBondContact O-N 3.47Å; I60-L63 PolarHBondContact O-N 3.5Å; T61-L63 PolarHBondContact O-N 3.47Å; L63-L67 PolarHBondContact O-N 2.92Å
64L98.1Very high94.9Very high95 Ų95100.5 Ų100.550%0.49752%0.523SS..Hα-helixtrans-65.4-46177.9-68.7176.6000111.6I60 T61 F62 D66 L67 E68I60-L64 HydrophobicContact CG2-CD1 4.24Å; I60-L64 WeakPolarHBondContact O-CG 3.34Å; I60-L64 PolarHBondContact O-N 3.39Å; T61-L64 PolarHBondContact O-N 3.12Å; F62-L64 PolarHBondContact O-N 3.45Å; L64-D66 PolarHBondContact O-N 3.48Å; L64-L67 WeakPolarHBondContact O-CB 3.5Å; L64-L67 PolarHBondContact O-N 3.43Å; L64-E68 PolarHBondContact O-N 3.06Å; L64-E68 VanDerWaalsContact O-N 3.11Å
65F97.8Very high94.8Very high121 Ų12196.4 Ų96.453%0.53151%0.508SS..Hα-helixtrans-68.5-32.3178.6-72.1-52.9000113T61 F62 L67 E68 I69T61-F65 WeakPolarHBondContact O-CB 3.38Å; T61-F65 WeakPolarHBondContact O-CD2 3.3Å; T61-F65 WeakPolarHBondContact O-CG 3.46Å; T61-F65 PolarHBondContact O-N 3.48Å; F62-F65 PolarHBondContact O-N 3.46Å; F65-L67 VanDerWaalsContact C-N 3.31Å; F65-L67 PolarHBondContact O-N 2.97Å; F65-E68 WeakPolarHBondContact CD1-OE2 3.28Å; F65-E68 PolarHBondContact O-N 3.03Å; F65-I69 VanDerWaalsContact O-CG1 3.28Å; F65-I69 WeakPolarHBondContact O-CG1 3.26Å; F65-I69 PolarHBondContact O-N 3.27Å
66D97.9Very high94.9Very high88 Ų8894.2 Ų94.247%0.47151%0.508SS..Hα-helixtrans-64.7-37.8174.3-166.337.6000111.2F62 L64 I69 A70F62-D66 VanDerWaalsContact O-CB 3.27Å; F62-D66 WeakPolarHBondContact O-CB 3.45Å; F62-D66 PolarHBondContact O-N 3.34Å; L64-D66 PolarHBondContact O-N 3.48Å; D66-I69 PolarHBondContact O-N 3.01Å; D66-A70 WeakPolarHBondContact O-CB 3.5Å; D66-A70 PolarHBondContact O-N 3.5Å
67L97.7Very high94.7Very high99 Ų9998 Ų9852%0.51852%0.519SS..Hα-helixtrans-63.6-44.3172.4-173156.2000111.6L63 L64 F65 I69 A70 L71L63-L67 PolarHBondContact O-N 2.92Å; L64-L67 WeakPolarHBondContact O-CB 3.5Å; L64-L67 PolarHBondContact O-N 3.43Å; F65-L67 VanDerWaalsContact C-N 3.31Å; F65-L67 PolarHBondContact O-N 2.97Å; L67-I69 PolarHBondContact O-N 3.24Å; L67-A70 PolarHBondContact O-N 3.48Å; L67-L71 HydrophobicContact CD2-CD1 3.67Å; L67-L71 HydrophobicContact CD2-CG 4.22Å; L67-L71 WeakPolarHBondContact O-CG 3.08Å; L67-L71 PolarHBondContact O-N 3.29Å
68E97.3Very high94.2Very high102 Ų10293.9 Ų93.948%0.47750%0.501SS..Hα-helixtrans-61.2-43.2175.7-69.9179.2-174.600111.7L64 F65 A70 L71 L72L64-E68 PolarHBondContact O-N 3.06Å; L64-E68 VanDerWaalsContact O-N 3.11Å; F65-E68 WeakPolarHBondContact CD1-OE2 3.28Å; F65-E68 PolarHBondContact O-N 3.03Å; E68-A70 VanDerWaalsContact C-N 3.34Å; E68-A70 PolarHBondContact O-N 2.97Å; E68-L71 PolarHBondContact O-N 2.95Å; E68-L72 VanDerWaalsContact O-CG 3.3Å; E68-L72 WeakPolarHBondContact O-CG 3.21Å; E68-L72 PolarHBondContact O-N 3.21Å
69I97.1Very high93.6Very high104 Ų10494.6 Ų94.653%0.53350%0.501SS..Hα-helixtrans-62.6-41.9176.2-68.2165.2000110.9F65 D66 L67 L71 L72 L73F65-I69 VanDerWaalsContact O-CG1 3.28Å; F65-I69 WeakPolarHBondContact O-CG1 3.26Å; F65-I69 PolarHBondContact O-N 3.27Å; D66-I69 PolarHBondContact O-N 3.01Å; L67-I69 PolarHBondContact O-N 3.24Å; I69-L71 VanDerWaalsContact C-N 3.28Å; I69-L71 PolarHBondContact O-N 2.92Å; I69-L72 CarbonylContact O-C 3.57Å; I69-L72 PolarHBondContact O-N 3.04Å; I69-L72 VanDerWaalsContact O-N 3.1Å; I69-L73 PolarHBondContact O-N 3.34Å
70A96.4Very high93.1Very high62 Ų62100.3 Ų100.351%0.51252%0.518SS..Hα-helixtrans-60.8-37.5176.700000112.2D66 L67 E68D66-A70 WeakPolarHBondContact O-CB 3.5Å; D66-A70 PolarHBondContact O-N 3.5Å; L67-A70 PolarHBondContact O-N 3.48Å; E68-A70 VanDerWaalsContact C-N 3.34Å; E68-A70 PolarHBondContact O-N 2.97Å
71L93.4Very high92.3Very high123 Ų123100.3 Ų100.364%0.64452%0.521SS*.Hα-helixtrans-70.1-30.8174.1-69.2175.2000113.1L67 E68 I69 P74L67-L71 HydrophobicContact CD2-CD1 3.67Å; L67-L71 HydrophobicContact CD2-CG 4.22Å; L67-L71 WeakPolarHBondContact O-CG 3.08Å; L67-L71 PolarHBondContact O-N 3.29Å; E68-L71 PolarHBondContact O-N 2.95Å; I69-L71 VanDerWaalsContact C-N 3.28Å; I69-L71 PolarHBondContact O-N 2.92Å; L71-P74 VanDerWaalsContact O-CD 3.3Å; L71-P74 WeakPolarHBondContact O-CD 3.49Å
72L92.7Very high91.2Very high104 Ų104103.8 Ų103.855%0.54554%0.543SS..Hα-helixtrans-83.4-20.1177.5-65171.8000113.4E68 I69 P74 L75E68-L72 VanDerWaalsContact O-CG 3.3Å; E68-L72 WeakPolarHBondContact O-CG 3.21Å; E68-L72 PolarHBondContact O-N 3.21Å; I69-L72 CarbonylContact O-C 3.57Å; I69-L72 PolarHBondContact O-N 3.04Å; I69-L72 VanDerWaalsContact O-N 3.1Å; L72-P74 VanDerWaalsContact C-CD 3.43Å; L72-L75 HydrophobicContact CB-CD1 4.07Å; L72-L75 HydrophobicContact CD2-CD1 3.7Å; L72-L75 HydrophobicContact CG-CD1 4.48Å; L72-L75 VanDerWaalsContact O-CB 3.28Å; L72-L75 WeakPolarHBondContact O-CB 3.43Å; L72-L75 WeakPolarHBondContact O-CD1 3.39Å; L72-L75 WeakPolarHBondContact O-CG 3.33Å; L72-L75 PolarHBondContact O-N 3.43Å; L72-L75 VanDerWaalsContact O-N 3.1Å
73L94.2Very high89.9Confident109 Ų109102.2 Ų102.257%0.57154%0.541SS*.THydrogen-bonded Turntrans-52.3-40.3179.4-159.1155.9000114.8I69 L75 P76 W77I69-L73 PolarHBondContact O-N 3.34Å; L73-L75 PolarHBondContact O-N 2.94Å; L73-P76 WeakPolarHBondContact O-CD 3.45Å; L73-W77 HydrophobicContact CD2-CH2 4.02Å; L73-W77 HydrophobicContact CD2-CZ3 3.95Å
74P90.3Very high88.4Confident61 Ų61100 Ų10040%0.39653%0.529SS..THydrogen-bonded Turntrans-75.4-1.9179.730-36.8000115.4L71 L72 P76 W77 A78L71-P74 VanDerWaalsContact O-CD 3.3Å; L71-P74 WeakPolarHBondContact O-CD 3.49Å; L72-P74 VanDerWaalsContact C-CD 3.43Å; P74-P76 VanDerWaalsContact C-CD 3.47Å; P74-W77 HydrophobicContact CB-CE3 4.02Å; P74-W77 HydrophobicContact CB-CZ3 4.42Å; P74-W77 PolarHBondContact O-N 2.96Å; P74-W77 VanDerWaalsContact O-N 3.12Å; P74-A78 PolarHBondContact O-N 3.36Å
75L88.5Confident86.6Confident80 Ų8099.8 Ų99.842%0.41953%0.534SS..Hα-helixtrans-53.9-42.4-178.4-73.1174.9000114.5L72 L73 W77 A78 L79L72-L75 HydrophobicContact CB-CD1 4.07Å; L72-L75 HydrophobicContact CD2-CD1 3.7Å; L72-L75 HydrophobicContact CG-CD1 4.48Å; L72-L75 VanDerWaalsContact O-CB 3.28Å; L72-L75 WeakPolarHBondContact O-CB 3.43Å; L72-L75 WeakPolarHBondContact O-CD1 3.39Å; L72-L75 WeakPolarHBondContact O-CG 3.33Å; L72-L75 PolarHBondContact O-N 3.43Å; L72-L75 VanDerWaalsContact O-N 3.1Å; L73-L75 PolarHBondContact O-N 2.94Å; L75-W77 VanDerWaalsContact C-N 3.26Å; L75-W77 PolarHBondContact O-N 3.38Å; L75-A78 PolarHBondContact O-N 2.93Å; L75-A78 VanDerWaalsContact O-N 3.11Å; L75-L79 WeakPolarHBondContact O-CG 3.27Å; L75-L79 PolarHBondContact O-N 3.28Å
76P88.6Confident84.8Confident90 Ų90100.4 Ų100.458%0.58454%0.542SS*.Hα-helixtrans-60-34.6178.4-24.736.3000113.4L73 P74L73-P76 WeakPolarHBondContact O-CD 3.45Å; P74-P76 VanDerWaalsContact C-CD 3.47Å
77W87.2Confident83Confident179 Ų179101.2 Ų101.268%0.67854%0.544SS*.Hα-helixtrans-75.9-36.2175.3-60.5-50.9000111.9L73 P74 L75 L79 Q80L73-W77 HydrophobicContact CD2-CH2 4.02Å; L73-W77 HydrophobicContact CD2-CZ3 3.95Å; P74-W77 HydrophobicContact CB-CE3 4.02Å; P74-W77 HydrophobicContact CB-CZ3 4.42Å; P74-W77 PolarHBondContact O-N 2.96Å; P74-W77 VanDerWaalsContact O-N 3.12Å; L75-W77 VanDerWaalsContact C-N 3.26Å; L75-W77 PolarHBondContact O-N 3.38Å; W77-L79 VanDerWaalsContact C-N 3.3Å; W77-L79 PolarHBondContact O-N 2.89Å; W77-Q80 PolarHBondContact O-N 3.24Å
78A83.9Confident81.2Confident21 Ų21101.6 Ų101.617%0.17455%0.55CS.*Hα-helixtrans-64.7-32.4178.100000113.1P74 L75 Q80 T81 M87P74-A78 PolarHBondContact O-N 3.36Å; L75-A78 PolarHBondContact O-N 2.93Å; L75-A78 VanDerWaalsContact O-N 3.11Å; A78-Q80 PolarHBondContact O-N 3.5Å; A78-T81 WeakPolarHBondContact O-CB 3.46Å; A78-T81 VanDerWaalsContact O-CG2 3.24Å; A78-T81 WeakPolarHBondContact O-CG2 3.34Å; A78-T81 PolarHBondContact O-N 3.48Å; A78-T81 VanDerWaalsContact O-N 3.12Å; A78-T81 PolarHBondContact O-OG1 3.33Å; A78-M87 HydrophobicContact CB-CE 3.63Å; A78-M87 HydrophobicContact CB-SD 3.94Å
79L83.1Confident79Confident106 Ų106104.9 Ų104.956%0.55557%0.567SS**THydrogen-bonded Turntrans-64.5-19.2177.2-71.3170.6000113.9L75 W77 T81 L84L75-L79 WeakPolarHBondContact O-CG 3.27Å; L75-L79 PolarHBondContact O-N 3.28Å; W77-L79 VanDerWaalsContact C-N 3.3Å; W77-L79 PolarHBondContact O-N 2.89Å; L79-T81 PolarHBondContact O-N 3Å; L79-L84 HydrophobicContact CD2-CD1 4.24Å; L79-L84 HydrophobicContact CD2-CD2 4.25Å; L79-L84 HydrophobicContact CD2-CG 4.44Å; L79-L84 VanDerWaalsContact O-CD1 3.22Å; L79-L84 WeakPolarHBondContact O-CD1 3.34Å
80Q83.7Confident76.7Confident175 Ų175106.8 Ų106.882%0.81859%0.59SS**THydrogen-bonded Turntrans-81.3-2.9177.2-163.5170.5-14.400112.7W77 A78W77-Q80 PolarHBondContact O-N 3.24Å; A78-Q80 PolarHBondContact O-N 3.5Å
81T81.1Confident75.7Confident70 Ų70109 Ų10943%0.42959%0.594SS.*SBendtrans-77.6145.2-179.567.90000112.1A78 L79 N83A78-T81 WeakPolarHBondContact O-CB 3.46Å; A78-T81 VanDerWaalsContact O-CG2 3.24Å; A78-T81 WeakPolarHBondContact O-CG2 3.34Å; A78-T81 PolarHBondContact O-N 3.48Å; A78-T81 VanDerWaalsContact O-N 3.12Å; A78-T81 PolarHBondContact O-OG1 3.33Å; L79-T81 PolarHBondContact O-N 3Å; T81-N83 PolarHBondContact O-N 2.85Å
82T72.9Confident74.8Confident137 Ų137108.3 Ų108.384%0.8459%0.591SS**THydrogen-bonded Turntrans-70.1-15.3-17953.90000113.5
83N70.3Confident73.8Confident107 Ų107108.5 Ų108.557%0.57259%0.594SS**THydrogen-bonded Turntrans-103.834.2-177.4-66.6-21.9000112.7T81 P85 L86T81-N83 PolarHBondContact O-N 2.85Å; N83-P85 VanDerWaalsContact C-N 3.34Å; N83-L86 PolarHBondContact O-N 2.91Å
84L64.8Low72.6Confident67 Ų67108.5 Ų108.535%0.35160%0.595SS.*Hα-helixtrans-48.4-41.8177.3-139.2155.9000114.7L79 L86 M87 V88L79-L84 HydrophobicContact CD2-CD1 4.24Å; L79-L84 HydrophobicContact CD2-CD2 4.25Å; L79-L84 HydrophobicContact CD2-CG 4.44Å; L79-L84 VanDerWaalsContact O-CD1 3.22Å; L79-L84 WeakPolarHBondContact O-CD1 3.34Å; L84-L86 VanDerWaalsContact C-N 3.27Å; L84-L86 PolarHBondContact O-N 3.27Å; L84-M87 PolarHBondContact O-N 3.32Å; L84-V88 HydrophobicContact CD2-CG2 3.93Å; L84-V88 PolarHBondContact O-N 2.9Å
85P59.8Low71.5Confident91 Ų91111.4 Ų111.459%0.59161%0.608SS**Hα-helixtrans-70.7-18.2179.925.6-31.6000114.1N83 M89N83-P85 VanDerWaalsContact C-N 3.34Å; P85-M89 VanDerWaalsContact O-CB 3.28Å; P85-M89 WeakPolarHBondContact O-CB 3.26Å; P85-M89 WeakPolarHBondContact O-CG 3.05Å
86L60.5Low70.4Confident134 Ų134113.5 Ų113.570%0.70262%0.62SS**Hα-helixtrans-83.9-26.2179.9-145149.1000111.9N83 L84 S90N83-L86 PolarHBondContact O-N 2.91Å; L84-L86 VanDerWaalsContact C-N 3.27Å; L84-L86 PolarHBondContact O-N 3.27Å; L86-S90 PolarHBondContact O-OG 3.38Å
87M59.8Low69.1Low105 Ų105115.2 Ų115.252%0.51762%0.623SS.*Hα-helixtrans-90.1-23.3-178.9-170.6173.7163.400113.6A78 L84A78-M87 HydrophobicContact CB-CE 3.63Å; A78-M87 HydrophobicContact CB-SD 3.94Å; L84-M87 PolarHBondContact O-N 3.32Å
88V60.6Low67.7Low107 Ų107110.3 Ų110.365%0.64862%0.619SS**Hα-helixtrans-92.4-19.2177.4177.40000112.2L84L84-V88 HydrophobicContact CD2-CG2 3.93Å; L84-V88 PolarHBondContact O-N 2.9Å
89M51Low66.3Low170 Ų170117.8 Ų117.884%0.83766%0.656SS**  trans-97.63.2-179-64.3-175.9114.300114.4P85P85-M89 VanDerWaalsContact O-CB 3.28Å; P85-M89 WeakPolarHBondContact O-CB 3.26Å; P85-M89 WeakPolarHBondContact O-CG 3.05Å
90S48.6Very low64.8Low144 Ų144118.8 Ų118.8100%1.00767%0.665SS**  trans-109.60167.763.40000110.2L86L86-S90 PolarHBondContact O-OG 3.38Å

Retrieved 90 of 90 residues in 39.2 ms (Link to these results)