A0A087WR47_MOUSE Loading...

NADH:ubiquinone oxidoreductase core subunit S1

AlphaFold DB , UniProt , Accession A0A087WR47, Species MOUSE (Mus musculus, Mouse), Gene Ndufs1, Length 79 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
1M46.4Very low54.2Low233 Ų233166.3 Ų166.3100%1.14882%0.815SS**  0112.10-79.4169.4161.300108.3
2L43.7Very low53.6Low148 Ų148157 Ų15778%0.77579%0.794SS**  trans55.1120.6148.7-59.2156.9000116.7
3R58.6Low53.5Low217 Ų217157.8 Ų157.882%0.81980%0.801SS**  cis-169.8125.819.6-98.5159.9175171.8-0.6106.1
4I59.8Low53.9Low138 Ų138153.6 Ų153.671%0.70879%0.793SS**  trans-69.2139.3152.4-64.8163.7000106.9I6I4-I6 HydrophobicContact CG2-CB 3.83Å; I4-I6 HydrophobicContact CG2-CD1 3.52Å; I4-I6 HydrophobicContact CG2-CG1 3.38Å
5P52.8Low54Low93 Ų93153.1 Ų153.160%0.60479%0.792SS**  -137.6109.7105.827.5-9000110.2K7P5-K7 HydrophobicContact CB-CB 4.49Å; P5-K7 HydrophobicContact CB-CG 4.07Å; P5-K7 PolarHBondContact O-N 3.33Å
6I61.6Low54Low151 Ų151151.1 Ų151.177%0.77480%0.795SS**  9.467.191.9-53.8165.3000112I4I4-I6 HydrophobicContact CG2-CB 3.83Å; I4-I6 HydrophobicContact CG2-CD1 3.52Å; I4-I6 HydrophobicContact CG2-CG1 3.38Å
7K52.3Low53.7Low179 Ų179148.8 Ų148.878%0.77879%0.791SS**  trans-145.875.7160.4-76.5-167-171.6-162.90110.4P5P5-K7 HydrophobicContact CB-CB 4.49Å; P5-K7 HydrophobicContact CB-CG 4.07Å; P5-K7 PolarHBondContact O-N 3.33Å
8R52.2Low53.4Low251 Ų251151.6 Ų151.695%0.94780%0.796SS**  trans-151.350.5140.1-126.1172.2167.7-176.9-5.4110.3L10R8-L10 PolarHBondContact O-N 2.86Å
9A56.7Low53.2Low78 Ų78147.1 Ų147.165%0.64579%0.79SS**  trans-56.5119.2154.300000107.6I11A9-I11 PolarHBondContact O-N 2.9Å
10L57.5Low53.4Low168 Ų168148 Ų14888%0.8878%0.782SS**  38.481.8129-52.1175.8000114.8R8R8-L10 PolarHBondContact O-N 2.86Å
11I54.3Low53.4Low173 Ų173145.5 Ų145.589%0.88777%0.773SS**  trans-99.791.2146.4-57.8163.8000102.2A9A9-I11 PolarHBondContact O-N 2.9Å
12G47.2Very low53.9Low55 Ų55143.1 Ų143.157%0.56775%0.751SS**  86.990.665.600000106.2
13L52.4Low54.5Low168 Ų168141.7 Ų141.788%0.8875%0.749SS**  trans-48.8163.2156.3-80.492.9000109.7
14S58.7Low54.3Low99 Ų99136.3 Ų136.369%0.69274%0.74SS**  trans90.2115.8172.885.30000111.8
15N55.6Low54.2Low145 Ų145133.2 Ų133.278%0.77574%0.742SS**  cis-149.9121.127.4-78.4-49.9000108.7P17N15-P17 WeakPolarHBondContact O-CD 3.34Å
16S55Low54.1Low121 Ų121134.7 Ų134.785%0.84675%0.75SS**  trans-73.2115.3159.8-159.70000106.5K18S16-K18 PolarHBondContact O-N 3.08Å
17P47.8Very low53.9Low112 Ų112131.9 Ų131.973%0.72775%0.748SS**  trans-68.7115.2-17828.5-29.6000107.7N15N15-P17 WeakPolarHBondContact O-CD 3.34Å
18K49.1Very low54.2Low200 Ų200128 Ų12887%0.8775%0.75SS**  trans48.6110.9143.6-65-178.2177.4-1790116.3S16 Y20S16-K18 PolarHBondContact O-N 3.08Å; K18-Y20 PolarHBondContact O-N 2.82Å
19G49.4Very low54.6Low66 Ų66121 Ų12168%0.6874%0.74SS**  trans3.2109.3153.800000116.1V21G19-V21 PolarHBondContact O-N 3.26Å
20Y58Low55.9Low165 Ų165122.9 Ų122.965%0.64774%0.739SS**  trans-72.566.8153.7-174.2-110.1000108.4K18 R22K18-Y20 PolarHBondContact O-N 2.82Å; Y20-R22 HydrophobicContact CD1-CG 4.11Å; Y20-R22 HydrophobicContact CE1-CG 3.36Å; Y20-R22 HydrophobicContact CE2-CG 3.9Å; Y20-R22 PolarHBondContact O-N 3.34Å; Y20-R22 WeakPolarHBondContact OH-CD 3.4Å; Y20-R22 VanDerWaalsContact OH-CG 3.27Å; Y20-R22 WeakPolarHBondContact OH-CG 3.33Å; Y20-R22 PolarHBondContact OH-NE 3.36Å
21V53Low57.5Low95 Ų95119.6 Ų119.658%0.57672%0.721SS**  trans-72.6110.9155177.80000103.8G19 T23G19-V21 PolarHBondContact O-N 3.26Å; V21-T23 HydrophobicContact CG1-CG2 3.96Å; V21-T23 PolarHBondContact O-N 3.3Å
22R55.9Low59.3Low183 Ų183115 Ų11569%0.69170%0.698SS**  trans-68.287.1162.1-74.2178.296.4169.34.6106.8Y20 T24Y20-R22 HydrophobicContact CD1-CG 4.11Å; Y20-R22 HydrophobicContact CE1-CG 3.36Å; Y20-R22 HydrophobicContact CE2-CG 3.9Å; Y20-R22 PolarHBondContact O-N 3.34Å; Y20-R22 WeakPolarHBondContact OH-CD 3.4Å; Y20-R22 VanDerWaalsContact OH-CG 3.27Å; Y20-R22 WeakPolarHBondContact OH-CG 3.33Å; Y20-R22 PolarHBondContact OH-NE 3.36Å; R22-T24 VanDerWaalsContact C-N 3.26Å; R22-T24 PolarHBondContact O-N 2.93Å; R22-T24 VanDerWaalsContact O-N 3.15Å
23T56.5Low61.5Low119 Ų119117.8 Ų117.873%0.7370%0.696SS**  trans-71.491.2151.446.60000106.6V21 G25V21-T23 HydrophobicContact CG1-CG2 3.96Å; V21-T23 PolarHBondContact O-N 3.3Å; T23-G25 PolarHBondContact O-N 2.98Å
24T55.4Low63.5Low104 Ų104112 Ų11264%0.63867%0.668SS**  trans-87.675.7146.149.90000106.3R22 T26R22-T24 VanDerWaalsContact C-N 3.26Å; R22-T24 PolarHBondContact O-N 2.93Å; R22-T24 VanDerWaalsContact O-N 3.15Å; T24-T26 PolarHBondContact O-N 3.42Å; T24-T26 VanDerWaalsContact O-N 3.17Å
25G57.3Low65.2Low72 Ų72113.9 Ų113.974%0.74266%0.664SS**  trans-69.9101.1163.700000108.3T23T23-G25 PolarHBondContact O-N 2.98Å
26T51Low67.1Low125 Ų125107.5 Ų107.577%0.76763%0.63SS**  trans-122.9105.6152.3-61.80000106.2T24T24-T26 PolarHBondContact O-N 3.42Å; T24-T26 VanDerWaalsContact O-N 3.17Å
27A56.7Low68.9Low91 Ų91107.9 Ų107.975%0.75262%0.622SS**  trans-76.7141.9172.900000110.6
28A57.7Low71.1Confident97 Ų97105.9 Ų105.980%0.80262%0.622SS**SBendtrans74.580.7146.700000118.3
29S62.4Low73.1Confident106 Ų106101.9 Ų101.974%0.74161%0.607SS**SBend174.3-14.8125.659.20000114.1L31S29-L31 PolarHBondContact O-N 3.05Å
30N83.9Confident75.2Confident117 Ų117102.5 Ų102.563%0.62660%0.6SS**  trans-107.164-170.1-58.6-22.3000111.5I32 P45N30-I32 PolarHBondContact O-N 3.04Å; N30-P45 VanDerWaalsContact O-CD 3.3Å; N30-P45 WeakPolarHBondContact O-CD 3.49Å
31L89.4Confident76.9Confident98 Ų9895.6 Ų95.651%0.51358%0.576SS.*PPolyproline II helixtrans-64.6130.1168.7-67.9174.2000108.8S29 M42 V43 E44S29-L31 PolarHBondContact O-N 3.05Å; L31-M42 HydrophobicContact CB-CB 4.45Å; L31-M42 HydrophobicContact CB-CE 3.76Å; L31-M42 HydrophobicContact CD1-CB 4.39Å; L31-V43 WeakPolarHBondContact CA-O 3.38Å; L31-E44 HydrophobicContact CD2-CG 4.02Å
32I91.9Very high78.8Confident78 Ų7895.9 Ų95.940%0.457%0.572SS.*EExtended strand (participates in β ladder)trans-99.3136.3176.459.7172.4000109N30 V34 V43N30-I32 PolarHBondContact O-N 3.04Å; I32-V34 HydrophobicContact CD1-CG1 4.44Å; I32-V43 HydrophobicContact CD1-CG2 3.92Å; I32-V43 HydrophobicContact CG1-CG2 3.53Å; I32-V43 WeakPolarHBondContact CG1-O 3.48Å; I32-V43 PolarHBondContact N-O 3.33Å; I32-V43 PolarHBondContact O-N 2.66Å
33E93.9Very high80.6Confident113 Ų11387.3 Ų87.353%0.52854%0.54SS..EExtended strand (participates in β ladder)trans-84128.5172.7-172.9175.7-164.200109.2F35 S40 M42E33-F35 HydrophobicContact CG-CE2 4.44Å; E33-F35 HydrophobicContact CG-CZ 4.34Å; E33-S40 WeakPolarHBondContact OE1-CB 3.23Å; E33-M42 HydrophobicContact CB-SD 3.74Å; E33-M42 HydrophobicContact CG-SD 4.14Å
34V94.3Very high82.3Confident46 Ų4687.3 Ų87.328%0.27953%0.532SS..EExtended strand (participates in β ladder)trans-131.1154.6171.2-58.40000109.6I32 V41 V43 A52I32-V34 HydrophobicContact CD1-CG1 4.44Å; V34-V41 HydrophobicContact CG2-CG1 3.38Å; V34-V41 PolarHBondContact N-O 3.5Å; V34-V41 PolarHBondContact O-N 2.84Å; V34-V43 HydrophobicContact CG1-CG2 4.23Å; V34-V43 HydrophobicContact CG2-CG1 4.27Å; V34-V43 HydrophobicContact CG2-CG2 4.03Å; V34-A52 HydrophobicContact CG2-CB 4.21Å
35F95.1Very high83.9Confident138 Ų13885.9 Ų85.961%0.60552%0.524SS*.EExtended strand (participates in β ladder)trans-108.9124.3179-63-86.5000109.9E33 Q39E33-F35 HydrophobicContact CG-CE2 4.44Å; E33-F35 HydrophobicContact CG-CZ 4.34Å; F35-Q39 CarbonylContact C-O 3.6Å; F35-Q39 WeakPolarHBondContact CA-O 3.3Å
36V94.9Very high85.5Confident12 Ų1285.8 Ų85.87%0.07352%0.523CS..EExtended strand (participates in β ladder)trans-115.1114.2173.6-179.10000107.3G38 Q39 V41 C53 V56V36-G38 PolarHBondContact O-N 3.09Å; V36-G38 VanDerWaalsContact O-N 3.08Å; V36-Q39 PolarHBondContact N-O 3Å; V36-Q39 WeakPolarHBondContact O-CB 3.49Å; V36-Q39 PolarHBondContact O-N 2.98Å; V36-V41 HydrophobicContact CG2-CG1 3.94Å; V36-C53 HydrophobicContact CG1-CB 4.29Å; V36-V56 HydrophobicContact CB-CG2 4.16Å; V36-V56 HydrophobicContact CG2-CG2 4.32Å
37D93.2Very high87.4Confident128 Ų12881.5 Ų81.568%0.68450%0.497SS*.THydrogen-bonded Turntrans5035.5-177.5-59-34.8000114Q39D37-Q39 VanDerWaalsContact C-N 3.33Å
38G93Very high89.1Confident70 Ų7079.7 Ų79.772%0.72248%0.476SS*.THydrogen-bonded Turntrans83.9-2-178.200000115.3V36V36-G38 PolarHBondContact O-N 3.09Å; V36-G38 VanDerWaalsContact O-N 3.08Å
39Q92.4Very high90.8Very high117 Ų11780.6 Ų80.655%0.54747%0.471SS..EExtended strand (participates in β ladder)trans-91.2127.1173.7-55.9-174.635.400110.3F35 V36 D37 V56F35-Q39 CarbonylContact C-O 3.6Å; F35-Q39 WeakPolarHBondContact CA-O 3.3Å; V36-Q39 PolarHBondContact N-O 3Å; V36-Q39 WeakPolarHBondContact O-CB 3.49Å; V36-Q39 PolarHBondContact O-N 2.98Å; D37-Q39 VanDerWaalsContact C-N 3.33Å; Q39-V56 HydrophobicContact CB-CG1 4.42Å; Q39-V56 VanDerWaalsContact OE1-CG1 3.27Å
40S94Very high92.3Very high78 Ų7876.5 Ų76.555%0.54544%0.441SS..EExtended strand (participates in β ladder)trans-75.8130.3174.254.90000110.7E33E33-S40 WeakPolarHBondContact OE1-CB 3.23Å
41V93.4Very high92.7Very high21 Ų2174 Ų7413%0.12743%0.426CS..EExtended strand (participates in β ladder)trans-132.6132.617764.70000110.2V34 V36 V43 K55 V56V34-V41 HydrophobicContact CG2-CG1 3.38Å; V34-V41 PolarHBondContact N-O 3.5Å; V34-V41 PolarHBondContact O-N 2.84Å; V36-V41 HydrophobicContact CG2-CG1 3.94Å; V41-V43 HydrophobicContact CG1-CG1 4.22Å; V41-V43 HydrophobicContact CG2-CG1 4.09Å; V41-K55 HydrophobicContact CG2-CB 4.21Å; V41-K55 HydrophobicContact CG2-CD 4.43Å; V41-V56 HydrophobicContact CB-CG2 4.04Å; V41-V56 HydrophobicContact CG1-CG2 4.2Å; V41-V56 HydrophobicContact CG2-CG2 4.21Å
42M93.3Very high93Very high100 Ų10069.6 Ų69.649%0.49340%0.404SS..EExtended strand (participates in β ladder)trans-89.9118.3176.9-63-61-8500109.4L31 E33L31-M42 HydrophobicContact CB-CB 4.45Å; L31-M42 HydrophobicContact CB-CE 3.76Å; L31-M42 HydrophobicContact CD1-CB 4.39Å; E33-M42 HydrophobicContact CB-SD 3.74Å; E33-M42 HydrophobicContact CG-SD 4.14Å
43V92.4Very high93.1Very high3 Ų366.5 Ų66.52%0.01839%0.389CS..EExtended strand (participates in β ladder)trans-123.6155.2-178.7-57.80000111.9L31 I32 V34 V41 T47 A52 K55L31-V43 WeakPolarHBondContact CA-O 3.38Å; I32-V43 HydrophobicContact CD1-CG2 3.92Å; I32-V43 HydrophobicContact CG1-CG2 3.53Å; I32-V43 WeakPolarHBondContact CG1-O 3.48Å; I32-V43 PolarHBondContact N-O 3.33Å; I32-V43 PolarHBondContact O-N 2.66Å; V34-V43 HydrophobicContact CG1-CG2 4.23Å; V34-V43 HydrophobicContact CG2-CG1 4.27Å; V34-V43 HydrophobicContact CG2-CG2 4.03Å; V41-V43 HydrophobicContact CG1-CG1 4.22Å; V41-V43 HydrophobicContact CG2-CG1 4.09Å; V43-T47 HydrophobicContact CB-CG2 4.23Å; V43-A52 HydrophobicContact CG1-CB 3.92Å; V43-K55 HydrophobicContact CG1-CD 4.04Å
44E91.6Very high93Very high120 Ų12064.1 Ų64.156%0.56138%0.377SS*.  trans-74.6147.5176.6-68.1-177.2166.200109.9L31 G46 T47L31-E44 HydrophobicContact CD2-CG 4.02Å; E44-G46 PolarHBondContact O-N 2.9Å; E44-T47 PolarHBondContact N-OG1 3.47Å; E44-T47 VanDerWaalsContact O-CB 3.23Å; E44-T47 WeakPolarHBondContact O-CB 3.3Å; E44-T47 PolarHBondContact O-N 3.42Å; E44-T47 PolarHBondContact O-OG1 3.15Å
45P90.4Very high92.8Very high73 Ų7367.6 Ų67.647%0.47439%0.389SS..THydrogen-bonded Turntrans-63.5130.4176.926.2-29.9000109.3N30N30-P45 VanDerWaalsContact O-CD 3.3Å; N30-P45 WeakPolarHBondContact O-CD 3.49Å
46G89.5Confident92.8Very high70 Ų7062.9 Ų62.972%0.72237%0.371SS*.THydrogen-bonded Turntrans94.3-4.7-173.500000114.7E44E44-G46 PolarHBondContact O-N 2.9Å
47T91.7Very high92.6Very high36 Ų3665.2 Ų65.222%0.22140%0.398CS..  trans-63.4135167.6-52.20000109.8V43 E44 Q51V43-T47 HydrophobicContact CB-CG2 4.23Å; E44-T47 PolarHBondContact N-OG1 3.47Å; E44-T47 VanDerWaalsContact O-CB 3.23Å; E44-T47 WeakPolarHBondContact O-CB 3.3Å; E44-T47 PolarHBondContact O-N 3.42Å; E44-T47 PolarHBondContact O-OG1 3.15Å; T47-Q51 HydrophobicContact CG2-CB 3.58Å
48T93.6Very high92.5Very high53 Ų5364 Ų6433%0.32539%0.389SS..  trans-77.7157.2175.862.30000111.6L50 Q51 A52T48-L50 PolarHBondContact O-N 3.39Å; T48-Q51 PolarHBondContact O-N 3.11Å; T48-Q51 VanDerWaalsContact O-N 3.11Å; T48-Q51 VanDerWaalsContact OG1-CD 3.29Å; T48-Q51 VanDerWaalsContact OG1-CG 3.3Å; T48-Q51 WeakPolarHBondContact OG1-CG 3.49Å; T48-Q51 PolarHBondContact OG1-N 3.4Å; T48-Q51 PolarHBondContact OG1-OE1 3.26Å; T48-A52 PolarHBondContact O-N 3.11Å
49V93.4Very high92.5Very high115 Ų11566 Ų6670%0.69738%0.38SS*.Hα-helixtrans-54.8-40.7175.5179.90000111.3Q51 A52 C53V49-Q51 VanDerWaalsContact C-N 3.34Å; V49-Q51 PolarHBondContact O-N 3.24Å; V49-A52 WeakPolarHBondContact O-CB 3.46Å; V49-A52 PolarHBondContact O-N 3.23Å; V49-A52 VanDerWaalsContact O-N 3.15Å; V49-C53 PolarHBondContact O-N 2.97Å; V49-C53 PolarHBondContact O-SG 2.98Å; V49-C53 VanDerWaalsContact O-SG 3.35Å
50L93.8Very high92.6Very high20 Ų2062.6 Ų62.611%0.10537%0.365CS..Hα-helixtrans-61.6-40.9179.5-166.9135.1000112.5T48 E54 I60 R62 Y65 C78T48-L50 PolarHBondContact O-N 3.39Å; L50-E54 WeakPolarHBondContact O-CB 3.48Å; L50-E54 PolarHBondContact O-N 3.18Å; L50-E54 VanDerWaalsContact O-N 3.09Å; L50-I60 HydrophobicContact CD1-CB 4.22Å; L50-I60 HydrophobicContact CD1-CG2 4.4Å; L50-R62 HydrophobicContact CD1-CB 4.15Å; L50-R62 HydrophobicContact CD1-CG 4.46Å; L50-Y65 HydrophobicContact CD2-CD1 3.71Å; L50-Y65 HydrophobicContact CD2-CE1 3.61Å; L50-C78 HydrophobicContact CD1-CB 4.24Å
51Q92.5Very high92.6Very high66 Ų6662.2 Ų62.231%0.30836%0.361SS..Hα-helixtrans-72.6-31.1176-70.9166.1-3300112.5T47 T48 V49 E54 K55 Y65T47-Q51 HydrophobicContact CG2-CB 3.58Å; T48-Q51 PolarHBondContact O-N 3.11Å; T48-Q51 VanDerWaalsContact O-N 3.11Å; T48-Q51 VanDerWaalsContact OG1-CD 3.29Å; T48-Q51 VanDerWaalsContact OG1-CG 3.3Å; T48-Q51 WeakPolarHBondContact OG1-CG 3.49Å; T48-Q51 PolarHBondContact OG1-N 3.4Å; T48-Q51 PolarHBondContact OG1-OE1 3.26Å; V49-Q51 VanDerWaalsContact C-N 3.34Å; V49-Q51 PolarHBondContact O-N 3.24Å; Q51-E54 PolarHBondContact O-N 3.35Å; Q51-K55 PolarHBondContact O-N 3.32Å; Q51-Y65 PolarHBondContact NE2-OH 3.41Å
52A93.8Very high92.6Very high5 Ų565 Ų654%0.04137%0.369CS..Hα-helixtrans-66.3-43.3174.100000111.2V34 V43 T48 V49 K55V34-A52 HydrophobicContact CG2-CB 4.21Å; V43-A52 HydrophobicContact CG1-CB 3.92Å; T48-A52 PolarHBondContact O-N 3.11Å; V49-A52 WeakPolarHBondContact O-CB 3.46Å; V49-A52 PolarHBondContact O-N 3.23Å; V49-A52 VanDerWaalsContact O-N 3.15Å; A52-K55 WeakPolarHBondContact O-CB 3.27Å; A52-K55 PolarHBondContact O-N 3.35Å
53C94.6Very high92.7Very high13 Ų1368.1 Ų68.19%0.08838%0.38CS..Hα-helixtrans-65-37.9175.1-65.30000112.6V36 V49 K55 V56 G57 M58 I60V36-C53 HydrophobicContact CG1-CB 4.29Å; V49-C53 PolarHBondContact O-N 2.97Å; V49-C53 PolarHBondContact O-SG 2.98Å; V49-C53 VanDerWaalsContact O-SG 3.35Å; C53-K55 VanDerWaalsContact C-N 3.29Å; C53-K55 PolarHBondContact O-N 2.86Å; C53-V56 PolarHBondContact O-N 3.41Å; C53-G57 PolarHBondContact O-N 3.01Å; C53-M58 CarbonylContact C-O 3.24Å; C53-M58 VanDerWaalsContact C-O 3.24Å; C53-M58 HydrophobicContact CB-CB 4.31Å; C53-M58 PolarHBondContact O-N 3.15Å; C53-I60 HydrophobicContact CB-CD1 3.86Å; C53-I60 HydrophobicContact CB-CG1 4.12Å
54E92.7Very high92.8Very high62 Ų6269.8 Ų69.829%0.2939%0.391SS..Hα-helixtrans-62.5-33.6177-179.5161.9-142.700112.7L50 Q51 V56 G57 M58 Q59L50-E54 WeakPolarHBondContact O-CB 3.48Å; L50-E54 PolarHBondContact O-N 3.18Å; L50-E54 VanDerWaalsContact O-N 3.09Å; Q51-E54 PolarHBondContact O-N 3.35Å; E54-V56 PolarHBondContact O-N 2.99Å; E54-G57 PolarHBondContact O-N 3.03Å; E54-M58 PolarHBondContact N-O 3.39Å; E54-Q59 PolarHBondContact OE1-NE2 2.85Å
55K90.7Very high93Very high120 Ų12065.7 Ų65.752%0.52237%0.371SS..Hα-helixtrans-63.5-26.8173.4-73.6179.7173.2-173.70113.5V41 V43 Q51 A52 C53 G57V41-K55 HydrophobicContact CG2-CB 4.21Å; V41-K55 HydrophobicContact CG2-CD 4.43Å; V43-K55 HydrophobicContact CG1-CD 4.04Å; Q51-K55 PolarHBondContact O-N 3.32Å; A52-K55 WeakPolarHBondContact O-CB 3.27Å; A52-K55 PolarHBondContact O-N 3.35Å; C53-K55 VanDerWaalsContact C-N 3.29Å; C53-K55 PolarHBondContact O-N 2.86Å; K55-G57 VanDerWaalsContact C-N 3.28Å
56V93.2Very high93.1Very high38 Ų3866.1 Ų66.123%0.2337%0.367CS..THydrogen-bonded Turntrans-88.5-1.3176.3-173.60000111V36 Q39 V41 C53 E54 M58V36-V56 HydrophobicContact CB-CG2 4.16Å; V36-V56 HydrophobicContact CG2-CG2 4.32Å; Q39-V56 HydrophobicContact CB-CG1 4.42Å; Q39-V56 VanDerWaalsContact OE1-CG1 3.27Å; V41-V56 HydrophobicContact CB-CG2 4.04Å; V41-V56 HydrophobicContact CG1-CG2 4.2Å; V41-V56 HydrophobicContact CG2-CG2 4.21Å; C53-V56 PolarHBondContact O-N 3.41Å; E54-V56 PolarHBondContact O-N 2.99Å; V56-M58 VanDerWaalsContact C-N 3.32Å
57G91.9Very high93.1Very high62 Ų6268.3 Ų68.364%0.63936%0.358SS*.THydrogen-bonded Turntrans81.97.7-177.500000114.1C53 E54 K55C53-G57 PolarHBondContact O-N 3.01Å; E54-G57 PolarHBondContact O-N 3.03Å; K55-G57 VanDerWaalsContact C-N 3.28Å
58M91.4Very high93.1Very high102 Ų10276.3 Ų76.350%0.50238%0.384SS..  trans-89.4114.6174.5-83.7-69.4-164.100110.4C53 E54 V56C53-M58 CarbonylContact C-O 3.24Å; C53-M58 VanDerWaalsContact C-O 3.24Å; C53-M58 HydrophobicContact CB-CB 4.31Å; C53-M58 PolarHBondContact O-N 3.15Å; E54-M58 PolarHBondContact N-O 3.39Å; V56-M58 VanDerWaalsContact C-N 3.32Å
59Q91.4Very high93Very high111 Ų11179.5 Ų79.552%0.51940%0.399SS..  trans-93.2105.4175.8-73.2-71.2-20.600110.3E54E54-Q59 PolarHBondContact OE1-NE2 2.85Å
60I94.9Very high92.9Very high46 Ų4678.1 Ų78.124%0.23639%0.394CS..  trans-72.2133.4175.6-63.4179.6000109.6L50 C53 R62 C78L50-I60 HydrophobicContact CD1-CB 4.22Å; L50-I60 HydrophobicContact CD1-CG2 4.4Å; C53-I60 HydrophobicContact CB-CD1 3.86Å; C53-I60 HydrophobicContact CB-CG1 4.12Å; I60-R62 PolarHBondContact O-N 3.17Å; I60-C78 HydrophobicContact CG2-CB 3.6Å
61P95Very high92.9Very high71 Ų7182.2 Ų82.246%0.46142%0.42SS..  trans-61125.5178.426.2-35.4000111.2M77P61-M77 HydrophobicContact CB-CE 4.02Å; P61-M77 HydrophobicContact CB-CG 3.88Å; P61-M77 HydrophobicContact CG-CE 4.18Å; P61-M77 HydrophobicContact CG-CG 4.22Å; P61-M77 CarbonylContact O-C 3.45Å
62R93.6Very high92.9Very high78 Ų7881.6 Ų81.629%0.29443%0.426SS..  trans-140.8137.8-175.252.6170.3171.6109.2-7.4111.3L50 I60 Y65 E67L50-R62 HydrophobicContact CD1-CB 4.15Å; L50-R62 HydrophobicContact CD1-CG 4.46Å; I60-R62 PolarHBondContact O-N 3.17Å; R62-Y65 PolarHBondContact NH1-O 3.31Å; R62-E67 IonicContact NH2-OE1 3.93Å
63F95.2Very high92.8Very high166 Ų16683.2 Ų83.273%0.72844%0.443SS*.SBendtrans-113-43.9171.6-66.8-67.1000112.5C75 M77F63-C75 HydrophobicContact CB-CB 3.87Å; F63-C75 HydrophobicContact CD2-CB 4.39Å; F63-M77 HydrophobicContact CD2-CB 3.93Å; F63-M77 HydrophobicContact CD2-CG 3.96Å; F63-M77 HydrophobicContact CE2-CB 4.27Å; F63-M77 HydrophobicContact CE2-CG 3.81Å; F63-M77 HydrophobicContact CE2-SD 4.06Å
64C94.3Very high92.8Very high38 Ų3889.2 Ų89.226%0.25747%0.474SS..SBendtrans-95.412.3-173.174.50000114.5A72 N74 C75C64-A72 HydrophobicContact CB-CB 4.31Å; C64-N74 HydrophobicContact CB-CB 4.5Å; C64-N74 PolarHBondContact SG-N 3.35Å; C64-N74 VanDerWaalsContact SG-N 3.41Å; C64-C75 HydrophobicContact CB-CB 4.04Å; C64-C75 PolarHBondContact N-SG 3.46Å; C64-C75 PolarHBondContact SG-SG 3.41Å
65Y95.1Very high92.9Very high35 Ų3588.3 Ų88.314%0.13747%0.474CS..  trans-118.3132.4179.5177.6-93.1000111.3L50 Q51 R62 E67 V71L50-Y65 HydrophobicContact CD2-CD1 3.71Å; L50-Y65 HydrophobicContact CD2-CE1 3.61Å; Q51-Y65 PolarHBondContact NE2-OH 3.41Å; R62-Y65 PolarHBondContact NH1-O 3.31Å; Y65-E67 HydrophobicContact CE1-CG 4.33Å; Y65-V71 HydrophobicContact CD2-CG2 4.3Å; Y65-V71 HydrophobicContact CE2-CG2 4.14Å
66H93.1Very high93.1Very high82 Ų8289.5 Ų89.538%0.3848%0.475SS..  trans-144.6135.9173.9-174.2-78.5000108.7R68 L69H66-R68 PolarHBondContact ND1-N 3.38Å; H66-R68 PolarHBondContact O-N 2.85Å; H66-R68 VanDerWaalsContact O-N 3.11Å; H66-L69 HydrophobicContact CB-CB 4.22Å; H66-L69 HydrophobicContact CB-CD1 4.04Å; H66-L69 HydrophobicContact CB-CG 4.19Å; H66-L69 PolarHBondContact O-N 3.19Å
67E89.1Confident93.2Very high116 Ų11692.1 Ų92.154%0.54249%0.486SS..THydrogen-bonded Turntrans-57.6-31.2-171.8-67.9153.8-134.900114.3R62 Y65R62-E67 IonicContact NH2-OE1 3.93Å; Y65-E67 HydrophobicContact CE1-CG 4.33Å
68R91.2Very high93.3Very high203 Ų20392 Ų9277%0.76648%0.475SS*.THydrogen-bonded Turntrans-93.6-2.4-178.7-51.5-175.2-156.1139.15.1114.4H66H66-R68 PolarHBondContact ND1-N 3.38Å; H66-R68 PolarHBondContact O-N 2.85Å; H66-R68 VanDerWaalsContact O-N 3.11Å
69L92.2Very high93.2Very high121 Ų12195.6 Ų95.663%0.63450%0.495SS*.SBendtrans-113.8164.2-179.2-62.4178.6000110.1H66H66-L69 HydrophobicContact CB-CB 4.22Å; H66-L69 HydrophobicContact CB-CD1 4.04Å; H66-L69 HydrophobicContact CB-CG 4.19Å; H66-L69 PolarHBondContact O-N 3.19Å
70S91.9Very high93.3Very high85 Ų8594.8 Ų94.859%0.59449%0.494SS*.  trans-66.7151.2173.451.10000111.5A72S70-A72 PolarHBondContact O-N 3.05Å
71V92.3Very high93.2Very high107 Ų10797.4 Ų97.465%0.64851%0.508SS*.  trans-71.9116.7176.4-176.40000109.2Y65Y65-V71 HydrophobicContact CD2-CG2 4.3Å; Y65-V71 HydrophobicContact CE2-CG2 4.14Å
72A92.9Very high93.1Very high53 Ų5398.8 Ų98.844%0.43851%0.51SS..  trans-91.4-52.1-178.300000113.6C64 S70C64-A72 HydrophobicContact CB-CB 4.31Å; S70-A72 PolarHBondContact O-N 3.05Å
73G91.9Very high93.1Very high38 Ų38100.1 Ų100.139%0.39252%0.523SS..  trans8310.5-179.600000116.2R76G73-R76 WeakPolarHBondContact O-CD 3.17Å
74N94.7Very high93Very high140 Ų14095.9 Ų95.975%0.74951%0.51SS*.  trans-77.6-25.4-172.1-62.6-15.3000115.3C64C64-N74 HydrophobicContact CB-CB 4.5Å; C64-N74 PolarHBondContact SG-N 3.35Å; C64-N74 VanDerWaalsContact SG-N 3.41Å
75C95.1Very high92.9Very high43 Ų4399.8 Ų99.829%0.29153%0.527SS..SBendtrans-93.5-20-169.374.80000115.7F63 C64 M77F63-C75 HydrophobicContact CB-CB 3.87Å; F63-C75 HydrophobicContact CD2-CB 4.39Å; C64-C75 HydrophobicContact CB-CB 4.04Å; C64-C75 PolarHBondContact N-SG 3.46Å; C64-C75 PolarHBondContact SG-SG 3.41Å; C75-M77 PolarHBondContact O-N 3.34Å
76R95.1Very high92.7Very high145 Ų145104.4 Ų104.455%0.54756%0.555SS.*  trans50.514.9-178.1-48.4-57.3-67.9138.9-3.5116.4G73 C78 L79G73-R76 WeakPolarHBondContact O-CD 3.17Å; R76-C78 VanDerWaalsContact C-N 3.28Å; R76-C78 PolarHBondContact O-N 3.26Å; R76-L79 HydrophobicContact CB-CD1 4.13Å; R76-L79 WeakPolarHBondContact O-CB 3.36Å
77M95.5Very high92.7Very high93 Ų93106.2 Ų106.246%0.45857%0.568SS.*THydrogen-bonded Turntrans-72-22.6-178.8-16866.8-170.200113.2P61 F63 C75 L79P61-M77 HydrophobicContact CB-CE 4.02Å; P61-M77 HydrophobicContact CB-CG 3.88Å; P61-M77 HydrophobicContact CG-CE 4.18Å; P61-M77 HydrophobicContact CG-CG 4.22Å; P61-M77 CarbonylContact O-C 3.45Å; F63-M77 HydrophobicContact CD2-CB 3.93Å; F63-M77 HydrophobicContact CD2-CG 3.96Å; F63-M77 HydrophobicContact CE2-CB 4.27Å; F63-M77 HydrophobicContact CE2-CG 3.81Å; F63-M77 HydrophobicContact CE2-SD 4.06Å; C75-M77 PolarHBondContact O-N 3.34Å; M77-L79 PolarHBondContact O-N 2.99Å
78C92.9Very high93Very high60 Ų60105.3 Ų105.341%0.40557%0.57SS.*THydrogen-bonded Turntrans-90.828.917966.20000112.8L50 I60 R76L50-C78 HydrophobicContact CD1-CB 4.24Å; I60-C78 HydrophobicContact CG2-CB 3.6Å; R76-C78 VanDerWaalsContact C-N 3.28Å; R76-C78 PolarHBondContact O-N 3.26Å
79L90.1Very high93.1Very high176 Ų17696.5 Ų96.592%0.92155%0.553SS**  trans-87.20173.7-87.8-179.7000110.9R76 M77R76-L79 HydrophobicContact CB-CD1 4.13Å; R76-L79 WeakPolarHBondContact O-CB 3.36Å; M77-L79 PolarHBondContact O-N 2.99Å

Retrieved 79 of 79 residues in 23.5 ms (Link to these results)