A0A096N0E3_PAPAN Loading...

Essential MCU regulator, mitochondrial

Essential regulatory subunit of the mitochondrial calcium uniporter complex (uniplex), a complex that mediates calcium uptake into mitochondria.

AlphaFold DB (A0A2K5KRP4), UniProt , Accession A0A096N0E3, Species PAPAN (Papio anubis, Olive baboon), Gene SMDT1, Length 107 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
1M47.5Very low53.4Low253 Ų253148.1 Ų148.1100%1.24687%0.869SS**  096.10-71.9166.9149.700107.2
2A43.5Very low53.5Low105 Ų105143.6 Ų143.687%0.86886%0.861SS**  trans-127.2131.4-174.100000110.1
3S46.1Very low53.7Low124 Ų124141.8 Ų141.887%0.86786%0.856SS**  trans-54.5129.6-169.9-163.40000114.6
4G54.1Low53.9Low77 Ų77141.9 Ų141.979%0.79486%0.856SS**  trans-84112.3172.500000111.1
5A54.7Low54.2Low98 Ų98148.5 Ų148.581%0.8186%0.86SS**  trans-74.3130.8-177.200000112.6R7A5-R7 PolarHBondContact O-N 3.29Å
6A54.6Low53.7Low83 Ų83146.9 Ų146.969%0.68686%0.86SS**  trans-66.9116.8173.800000111.1W8A6-W8 PolarHBondContact O-N 3.25Å
7R60.4Low53.5Low224 Ų224142.6 Ų142.685%0.84585%0.854SS**  trans-93.597.3177.7-172.2173.8167.5-166.1-4.4109.8A5A5-R7 PolarHBondContact O-N 3.29Å
8W56.4Low53.5Low235 Ų235140.8 Ų140.889%0.8986%0.857SS**  trans-70127.9169-68.582.4000110A6A6-W8 PolarHBondContact O-N 3.25Å
9L58.4Low53.5Low155 Ų155141.5 Ų141.581%0.81285%0.854SS**  trans-89.8104.3170.4-72.8171.1000108.9
10A55.8Low53.7Low100 Ų100146.9 Ų146.983%0.82686%0.859SS**  trans-75.4127.3172.300000110.5A12A10-A12 PolarHBondContact O-N 3.11Å
11L56Low53.7Low175 Ų175144.8 Ų144.892%0.91685%0.852SS**  trans-70115.6168.6-84.9140.3000109.6
12A54Low54Low94 Ų94135.9 Ų135.978%0.77783%0.826SS**  trans-79.9130.7171.800000110.6A10A10-A12 PolarHBondContact O-N 3.11Å
13P56.3Low54.5Low121 Ų121137.2 Ų137.279%0.78683%0.825SS**  trans-83.6121.7168.131.1-28.1000109.7R15P13-R15 PolarHBondContact O-N 2.76Å; P13-R15 VanDerWaalsContact O-N 3.12Å
14V57.3Low54.9Low143 Ų143136.5 Ų136.587%0.86782%0.82SS**  trans-68.7108.1166.9144.60000108.6
15R57.6Low55Low240 Ų240140.8 Ų140.891%0.90682%0.824SS**  trans-88.7122160.5-106.3-175.5170.2-149.10.2107.7P13P13-R15 PolarHBondContact O-N 2.76Å; P13-R15 VanDerWaalsContact O-N 3.12Å
16S46.1Very low54.9Low123 Ų123147.2 Ų147.286%0.8683%0.827SS**  trans-163.7128.6162.9-86.30000106.4
17G51Low55.5Low74 Ų74151.6 Ų151.676%0.76383%0.831SS**  cis170.5115.83.100000102.9L19G17-L19 PolarHBondContact O-N 3.06Å
18A53Low54.6Low110 Ų110148.1 Ų148.191%0.90983%0.829SS**  trans-78109.1-179.100000109.1
19L54.1Low54.3Low154 Ų154139.8 Ų139.881%0.80682%0.816SS**  trans-100.696.9166.8-168.469.1000108.7G17 S21G17-L19 PolarHBondContact O-N 3.06Å; L19-S21 PolarHBondContact O-N 3.41Å
20R57.8Low53.5Low249 Ų249140.6 Ų140.694%0.9482%0.821SS**  trans-70.4107.7160.7-97.4-178.4-175.6-105.51.9107.3
21S52.3Low53.3Low103 Ų103142.8 Ų142.872%0.7282%0.824SS**  trans-105.1108.6160.8-69.10000107.8L19L19-S21 PolarHBondContact O-N 3.41Å
22G54.5Low52.6Low67 Ų67139 Ų13969%0.69182%0.818SS**PPolyproline II helixtrans-73.7153.2177.500000112.1
23P53.4Low52.3Low133 Ų133139.6 Ų139.686%0.86482%0.823SS**PPolyproline II helixtrans-77.6125.8171.929-29.7000110.4L25P23-L25 PolarHBondContact O-N 2.76Å
24S55.3Low51.9Low109 Ų109138.4 Ų138.476%0.76282%0.823SS**PPolyproline II helixtrans-6911817144.10000110R26S24-R26 PolarHBondContact O-N 2.77Å; S24-R26 VanDerWaalsContact O-N 3.11Å
25L55.1Low52Low166 Ų166143.3 Ų143.387%0.86983%0.826SS**  trans-70.499.4169.6-179.969.4000108.4P23P23-L25 PolarHBondContact O-N 2.76Å
26R54.4Low51.6Low233 Ų233137.9 Ų137.988%0.87983%0.825SS**  trans-99.3106.3162.2-61.9-159.6102.5179.45.3108.3S24S24-R26 PolarHBondContact O-N 2.77Å; S24-R26 VanDerWaalsContact O-N 3.11Å
27K65.4Low51.6Low176 Ų176135.3 Ų135.377%0.76582%0.818SS**  trans-73.2127.6164172.5179.7176.4178.30107.5
28D41.7Very low51.7Low151 Ų151140.8 Ų140.881%0.80783%0.829SS**  trans173.7134.9133.5-87.4-44.2000111.9
29G49.6Very low51.7Low59 Ų59139 Ų13961%0.60882%0.821SS**  trans81.6103.6134.600000121.3
30D42.5Very low51.8Low172 Ų172140 Ų14092%0.9282%0.822SS**  trans87.4140.8131.2-52.8-42.3000122.7
31V51.8Low51.9Low146 Ų146133.1 Ų133.189%0.88581%0.811SS**  trans-86.1126.7-163.8177.90000111.2
32A40.2Very low52.4Low96 Ų96135.4 Ų135.479%0.79382%0.815SS**  trans-152.8116.5154.100000111A34A32-A34 PolarHBondContact O-N 2.99Å
33A49.4Very low52.9Low107 Ų107137.6 Ų137.688%0.88482%0.815SS**  trans-64.4116170.800000110.5
34A47.1Very low53.5Low96 Ų96136.1 Ų136.179%0.79381%0.805SS**  trans-137.691.6158.900000108.5A32 S36A32-A34 PolarHBondContact O-N 2.99Å; A34-S36 PolarHBondContact O-N 2.9Å
35R59.4Low54Low245 Ų245136.8 Ų136.893%0.92581%0.809SS**  trans-59.6115.5155.8-73.8-178167.1-179.7-3.1107.3
36S49.3Very low54.4Low127 Ų127139.8 Ų139.889%0.88881%0.809SS**  trans162.5113.2140.1-76.30000110.2A34A34-S36 PolarHBondContact O-N 2.9Å
37G45.7Very low54.9Low69 Ų69131.5 Ų131.571%0.71179%0.787SS**  trans172.929.8175.400000112.9G39G37-G39 PolarHBondContact O-N 3.08Å
38L53.4Low55.1Low189 Ų189129.5 Ų129.599%0.9979%0.789SS**THydrogen-bonded Turntrans-64.4103.1158.4-94.492.2000106.2
39G53.5Low56.7Low71 Ų71128.1 Ų128.173%0.73278%0.78SS**THydrogen-bonded Turntrans165.60.3-179.800000117.2G37 S41G37-G39 PolarHBondContact O-N 3.08Å; G39-S41 PolarHBondContact O-N 3.31Å
40Q55.1Low58.2Low177 Ų177127.8 Ų127.883%0.82777%0.767SS**  trans-67.987.8158.9-68.8-171.56.200107L42Q40-L42 PolarHBondContact O-N 3.04Å
41S61.4Low60.1Low103 Ų103122.2 Ų122.272%0.7274%0.739SS**  trans-58.987.9164.6-177.40000106.2G39 V43G39-S41 PolarHBondContact O-N 3.31Å; S41-V43 PolarHBondContact O-N 3.32Å
42L61.6Low61.3Low151 Ų151127.9 Ų127.979%0.79174%0.744SS**  trans-61.884164.8-83.1146.6000105.3Q40 P44Q40-L42 PolarHBondContact O-N 3.04Å; L42-P44 WeakPolarHBondContact O-CD 3Å; L42-P44 WeakPolarHBondContact O-CG 3.47Å
43V65.1Low63.2Low114 Ų114128.8 Ų128.869%0.69175%0.745SS**  trans-53.4110.5168.7173.40000104.8S41 S45S41-V43 PolarHBondContact O-N 3.32Å; V43-S45 PolarHBondContact O-N 2.81Å
44P67.3Low64.8Low102 Ų102126 Ų12666%0.66273%0.727SS**  trans-67.4112.4-175-19.333000107.8L42 R46L42-P44 WeakPolarHBondContact O-CD 3Å; L42-P44 WeakPolarHBondContact O-CG 3.47Å; P44-R46 VanDerWaalsContact C-N 3.34Å; P44-R46 WeakPolarHBondContact O-CG 3.47Å; P44-R46 PolarHBondContact O-N 3.01Å
45S65.1Low66.6Low122 Ų122124 Ų12485%0.85371%0.71SS**  trans-62.897.5167.6-69.80000107.8V43 S47V43-S45 PolarHBondContact O-N 2.81Å; S45-S47 PolarHBondContact O-N 3.33Å; S45-S47 VanDerWaalsContact O-N 3.08Å
46R63.1Low67.8Low230 Ų230118.9 Ų118.987%0.86870%0.699SS**  trans-72.6101.7-176.1-59.9-169.9-173.2-175.74.1109.1P44 V48P44-R46 VanDerWaalsContact C-N 3.34Å; P44-R46 WeakPolarHBondContact O-CG 3.47Å; P44-R46 PolarHBondContact O-N 3.01Å; R46-V48 PolarHBondContact O-N 3.18Å
47S66.3Low69.4Low59 Ų59117.5 Ų117.541%0.41368%0.682SS.*  trans-73.4116.9165.956.80000108.9S45 I49 V50S45-S47 PolarHBondContact O-N 3.33Å; S45-S47 VanDerWaalsContact O-N 3.08Å; S47-I49 PolarHBondContact O-N 2.93Å; S47-V50 PolarHBondContact O-N 2.76Å; S47-V50 VanDerWaalsContact O-O 3.12Å; S47-V50 WeakPolarHBondContact OG-CG2 3.5Å
48V69Low71.4Confident133 Ų133119.5 Ų119.581%0.80668%0.682SS**THydrogen-bonded Turntrans-55.6-15.5178.3177.50000113.1R46R46-V48 PolarHBondContact O-N 3.18Å
49I75.8Confident73Confident122 Ų122118.7 Ų118.763%0.62667%0.67SS**THydrogen-bonded Turntrans-85.3-19.8-175.9-55159000112.1S47 L57S47-I49 PolarHBondContact O-N 2.93Å; I49-L57 PolarHBondContact O-N 3.44Å
50V80.5Confident74.7Confident53 Ų53120.2 Ų120.232%0.32167%0.668SS.*BIsolated β-bridgetrans-122.2144.7179.1-54.60000111.4S47 A55 I56S47-V50 PolarHBondContact O-N 2.76Å; S47-V50 VanDerWaalsContact O-O 3.12Å; S47-V50 WeakPolarHBondContact OG-CG2 3.5Å; V50-A55 CarbonylContact C-O 3.49Å; V50-A55 VanDerWaalsContact CA-O 3.26Å; V50-A55 WeakPolarHBondContact CA-O 3.47Å; V50-I56 HydrophobicContact CG1-CG1 4.39Å
51T81.8Confident76.3Confident54 Ų54118.8 Ų118.833%0.33167%0.671SS.*  trans-65.516417064.80000110.4S53 G54 A55 L57T51-S53 PolarHBondContact O-N 2.98Å; T51-G54 WeakPolarHBondContact O-CA 2.98Å; T51-G54 PolarHBondContact O-N 3.07Å; T51-A55 HydrophobicContact CG2-CB 4.32Å; T51-A55 PolarHBondContact N-O 3.4Å; T51-A55 WeakPolarHBondContact OG1-CA 3.26Å; T51-A55 VanDerWaalsContact OG1-CB 3.28Å; T51-A55 WeakPolarHBondContact OG1-CB 3.28Å; T51-A55 PolarHBondContact OG1-N 3.12Å; T51-A55 PolarHBondContact OG1-O 3.4Å; T51-L57 HydrophobicContact CG2-CD1 4.14Å
52R76.7Confident77.6Confident265 Ų265122.1 Ų122.1100%167%0.672SS**THydrogen-bonded Turntrans-56.9-23.1175.8-169.3178.5-177-104.82.2113.2G54R52-G54 VanDerWaalsContact C-N 3.33Å
53S81.6Confident79Confident116 Ų116122.1 Ų122.181%0.81167%0.67SS**THydrogen-bonded Turntrans-82.4-5.3174.6-173.30000113.8T51T51-S53 PolarHBondContact O-N 2.98Å
54G81.3Confident80.1Confident49 Ų49121 Ų12151%0.50567%0.667SS.*SBendtrans86.8-0-173.800000115T51 R52T51-G54 WeakPolarHBondContact O-CA 2.98Å; T51-G54 PolarHBondContact O-N 3.07Å; R52-G54 VanDerWaalsContact C-N 3.33Å
55A85.3Confident81Confident53 Ų53123.7 Ų123.744%0.43867%0.668SS.*PPolyproline II helixtrans-71137.3176.500000111.2V50 T51V50-A55 CarbonylContact C-O 3.49Å; V50-A55 VanDerWaalsContact CA-O 3.26Å; V50-A55 WeakPolarHBondContact CA-O 3.47Å; T51-A55 HydrophobicContact CG2-CB 4.32Å; T51-A55 PolarHBondContact N-O 3.4Å; T51-A55 WeakPolarHBondContact OG1-CA 3.26Å; T51-A55 VanDerWaalsContact OG1-CB 3.28Å; T51-A55 WeakPolarHBondContact OG1-CB 3.28Å; T51-A55 PolarHBondContact OG1-N 3.12Å; T51-A55 PolarHBondContact OG1-O 3.4Å
56I85Confident82.2Confident137 Ų137119 Ų11970%0.70364%0.639SS**BIsolated β-bridgetrans-71.4136.4177.5-62.4170.8000109.6V50V50-I56 HydrophobicContact CG1-CG1 4.39Å
57L83.4Confident83.7Confident98 Ų98114.4 Ų114.451%0.51363%0.631SS.*PPolyproline II helixtrans-62.5139.7179.8-141.164.5000110.9I49 T51I49-L57 PolarHBondContact O-N 3.44Å; T51-L57 HydrophobicContact CG2-CD1 4.14Å
58P86.3Confident85.1Confident111 Ų111117 Ų11772%0.72164%0.64SS**PPolyproline II helixtrans-58.2155.1178.124.1-36000111.9
59K88.7Confident86.2Confident172 Ų172118 Ų11875%0.74863%0.629SS**PPolyproline II helixtrans-57129.9-179.3-176.6176.4179.8175.30110.3V61K59-V61 PolarHBondContact O-N 3.39Å
60P87.9Confident87.3Confident104 Ų104116.1 Ų116.168%0.67562%0.623SS**PPolyproline II helixtrans-59.6135.8178.124.2-33.9000110.4K62P60-K62 PolarHBondContact O-N 3.47Å
61V89Confident88.1Confident146 Ų146119 Ų11989%0.88563%0.632SS**PPolyproline II helixtrans-66.3130.3177.5-65.50000109.4K59K59-V61 PolarHBondContact O-N 3.39Å
62K89.8Confident88.8Confident173 Ų173120.6 Ų120.675%0.75265%0.645SS**PPolyproline II helixtrans-102.1129.7173.8-62.2-174.8178.1-1720107.9P60P60-K62 PolarHBondContact O-N 3.47Å
63M90.4Very high89.8Confident152 Ų152112.5 Ų112.575%0.74962%0.62SS**PPolyproline II helixtrans-69.6130.6170.8-74-176.6177.200109.7F65M63-F65 PolarHBondContact O-N 2.92Å
64S86.9Confident90.5Very high89 Ų89110 Ų11062%0.62260%0.6SS**THydrogen-bonded Turntrans-63.4128.9170.849.40000109.5G66S64-G66 PolarHBondContact O-N 3.03Å; S64-G66 VanDerWaalsContact O-N 3.13Å
65F87.9Confident91.3Very high159 Ų159112.6 Ų112.670%0.69760%0.601SS**THydrogen-bonded Turntrans51.634179.3-57-68.6000115.5M63 L67 L68 R69M63-F65 PolarHBondContact O-N 2.92Å; F65-L67 VanDerWaalsContact C-N 3.32Å; F65-L67 PolarHBondContact O-N 3.13Å; F65-L68 HydrophobicContact CB-CB 4.36Å; F65-L68 HydrophobicContact CB-CD1 4.38Å; F65-L68 HydrophobicContact CD1-CD1 3.71Å; F65-L68 HydrophobicContact CE1-CD1 4.41Å; F65-L68 HydrophobicContact CG-CD1 4.36Å; F65-L68 PolarHBondContact O-N 3.14Å; F65-R69 WeakPolarHBondContact O-CB 3.12Å; F65-R69 PolarHBondContact O-N 3.34Å
66G90.1Very high91.9Very high23 Ų23113 Ų11324%0.23760%0.599CS.*Hα-helixtrans-56.3-41.3-178.200000114S64 R69 V70S64-G66 PolarHBondContact O-N 3.03Å; S64-G66 VanDerWaalsContact O-N 3.13Å; G66-R69 PolarHBondContact O-N 3.4Å; G66-V70 WeakPolarHBondContact O-CG2 3.36Å; G66-V70 PolarHBondContact O-N 3.28Å
67L94.1Very high92.4Very high134 Ų134113.7 Ų113.770%0.70260%0.598SS**Hα-helixtrans-64-50.2177.4-67.6174.5000111.9F65 R69 V70 F71F65-L67 VanDerWaalsContact C-N 3.32Å; F65-L67 PolarHBondContact O-N 3.13Å; L67-R69 VanDerWaalsContact C-N 3.26Å; L67-R69 PolarHBondContact O-N 3.24Å; L67-V70 PolarHBondContact O-N 2.94Å; L67-V70 VanDerWaalsContact O-N 3.14Å; L67-F71 HydrophobicContact CB-CD2 4.41Å; L67-F71 HydrophobicContact CB-CE2 4.35Å; L67-F71 WeakPolarHBondContact O-CD2 3.35Å; L67-F71 PolarHBondContact O-N 3.36Å
68L94.8Very high93Very high114 Ų114114.5 Ų114.560%0.59760%0.602SS**Hα-helixtrans-59.6-39.8177.8-65.9179.2000111.4F65 V70 F71 S72F65-L68 HydrophobicContact CB-CB 4.36Å; F65-L68 HydrophobicContact CB-CD1 4.38Å; F65-L68 HydrophobicContact CD1-CD1 3.71Å; F65-L68 HydrophobicContact CE1-CD1 4.41Å; F65-L68 HydrophobicContact CG-CD1 4.36Å; F65-L68 PolarHBondContact O-N 3.14Å; L68-V70 PolarHBondContact O-N 3.4Å; L68-F71 PolarHBondContact O-N 2.86Å; L68-S72 WeakPolarHBondContact O-CB 3.08Å; L68-S72 PolarHBondContact O-N 3.04Å
69R93.8Very high93.6Very high153 Ų153116 Ų11658%0.57759%0.594SS**Hα-helixtrans-60.4-44.7175.8-176.4-176.3-71.7-172.4-3.9111.7F65 G66 L67 I73F65-R69 WeakPolarHBondContact O-CB 3.12Å; F65-R69 PolarHBondContact O-N 3.34Å; G66-R69 PolarHBondContact O-N 3.4Å; L67-R69 VanDerWaalsContact C-N 3.26Å; L67-R69 PolarHBondContact O-N 3.24Å; R69-I73 HydrophobicContact CG-CD1 4.37Å; R69-I73 WeakPolarHBondContact O-CG1 3.43Å; R69-I73 PolarHBondContact O-N 3.47Å
70V97.6Very high94Very high83 Ų83111.4 Ų111.450%0.50358%0.58SS.*Hα-helixtrans-65.3-50.4177.61730000110.6G66 L67 L68 S72 I73 V74G66-V70 WeakPolarHBondContact O-CG2 3.36Å; G66-V70 PolarHBondContact O-N 3.28Å; L67-V70 PolarHBondContact O-N 2.94Å; L67-V70 VanDerWaalsContact O-N 3.14Å; L68-V70 PolarHBondContact O-N 3.4Å; V70-S72 VanDerWaalsContact C-N 3.3Å; V70-S72 PolarHBondContact O-N 3.39Å; V70-I73 PolarHBondContact O-N 3.41Å; V70-I73 VanDerWaalsContact O-N 3.11Å; V70-V74 HydrophobicContact CG1-CG2 3.86Å; V70-V74 WeakPolarHBondContact O-CB 3.4Å; V70-V74 VanDerWaalsContact O-CG2 3.28Å; V70-V74 WeakPolarHBondContact O-CG2 3.25Å; V70-V74 PolarHBondContact O-N 3.34Å
71F97.3Very high94.4Very high115 Ų115108.2 Ų108.250%0.50457%0.566SS.*Hα-helixtrans-60.5-39.8179.5-75.5-65000112.7L67 L68 I73 V74 I75L67-F71 HydrophobicContact CB-CD2 4.41Å; L67-F71 HydrophobicContact CB-CE2 4.35Å; L67-F71 WeakPolarHBondContact O-CD2 3.35Å; L67-F71 PolarHBondContact O-N 3.36Å; L68-F71 PolarHBondContact O-N 2.86Å; F71-I73 PolarHBondContact O-N 2.85Å; F71-V74 PolarHBondContact O-N 2.85Å; F71-I75 HydrophobicContact CB-CD1 4.14Å; F71-I75 HydrophobicContact CD1-CD1 4.43Å; F71-I75 WeakPolarHBondContact O-CB 3.46Å; F71-I75 WeakPolarHBondContact O-CD1 3.49Å; F71-I75 VanDerWaalsContact O-CG1 3.25Å; F71-I75 WeakPolarHBondContact O-CG1 3.43Å; F71-I75 PolarHBondContact O-N 3.49Å
72S96.9Very high94.6Very high86 Ų86105.2 Ų105.260%0.60155%0.549SS*.Hα-helixtrans-61.8-26.6177.7-176.20000113.5L68 V70 P76L68-S72 WeakPolarHBondContact O-CB 3.08Å; L68-S72 PolarHBondContact O-N 3.04Å; V70-S72 VanDerWaalsContact C-N 3.3Å; V70-S72 PolarHBondContact O-N 3.39Å; S72-P76 WeakPolarHBondContact O-CD 3.3Å; S72-P76 WeakPolarHBondContact O-CG 3.49Å
73I96.9Very high94.8Very high95 Ų95101 Ų10149%0.48753%0.534SS..Hα-helixtrans-92.9-45177.3-62.7166.4000109.5R69 V70 F71 I75 P76 F77R69-I73 HydrophobicContact CG-CD1 4.37Å; R69-I73 WeakPolarHBondContact O-CG1 3.43Å; R69-I73 PolarHBondContact O-N 3.47Å; V70-I73 PolarHBondContact O-N 3.41Å; V70-I73 VanDerWaalsContact O-N 3.11Å; F71-I73 PolarHBondContact O-N 2.85Å; I73-I75 PolarHBondContact O-N 3.24Å; I73-P76 WeakPolarHBondContact O-CD 3.33Å; I73-P76 WeakPolarHBondContact O-CG 3.25Å; I73-F77 HydrophobicContact CG2-CD2 4.06Å; I73-F77 HydrophobicContact CG2-CE2 4.19Å; I73-F77 WeakPolarHBondContact O-CD2 3.28Å; I73-F77 PolarHBondContact O-N 3.11Å
74V98.3Very high94.8Very high63 Ų6399.1 Ų99.138%0.38253%0.526SS..Hα-helixtrans-64.4-46.1-174.2171.20000111.8V70 F71 F77 L78V70-V74 HydrophobicContact CG1-CG2 3.86Å; V70-V74 WeakPolarHBondContact O-CB 3.4Å; V70-V74 VanDerWaalsContact O-CG2 3.28Å; V70-V74 WeakPolarHBondContact O-CG2 3.25Å; V70-V74 PolarHBondContact O-N 3.34Å; F71-V74 PolarHBondContact O-N 2.85Å; V74-F77 PolarHBondContact O-N 3.18Å; V74-L78 HydrophobicContact CG1-CD1 3.46Å; V74-L78 VanDerWaalsContact CG1-CD1 3.46Å; V74-L78 HydrophobicContact CG1-CG 3.93Å; V74-L78 WeakPolarHBondContact O-CB 3.47Å; V74-L78 VanDerWaalsContact O-CG 3.25Å; V74-L78 WeakPolarHBondContact O-CG 3.19Å; V74-L78 PolarHBondContact O-N 3.44Å
75I96.9Very high95.1Very high104 Ų10498.6 Ų98.653%0.53352%0.522SS..Hα-helixtrans-60.1-53.7-175.1-64.6167.7000112.9F71 I73 F77 L78 Y79F71-I75 HydrophobicContact CB-CD1 4.14Å; F71-I75 HydrophobicContact CD1-CD1 4.43Å; F71-I75 WeakPolarHBondContact O-CB 3.46Å; F71-I75 WeakPolarHBondContact O-CD1 3.49Å; F71-I75 VanDerWaalsContact O-CG1 3.25Å; F71-I75 WeakPolarHBondContact O-CG1 3.43Å; F71-I75 PolarHBondContact O-N 3.49Å; I73-I75 PolarHBondContact O-N 3.24Å; I75-F77 VanDerWaalsContact C-N 3.33Å; I75-F77 PolarHBondContact O-N 2.9Å; I75-L78 PolarHBondContact O-N 3.42Å; I75-Y79 WeakPolarHBondContact O-CB 3.18Å; I75-Y79 PolarHBondContact O-N 3.41Å
76P97Very high95.1Very high61 Ų6198.8 Ų98.840%0.39652%0.523SS..Hα-helixtrans-66-35.3-179.223.5-32.8000112.6S72 I73 Y79 V80S72-P76 WeakPolarHBondContact O-CD 3.3Å; S72-P76 WeakPolarHBondContact O-CG 3.49Å; I73-P76 WeakPolarHBondContact O-CD 3.33Å; I73-P76 WeakPolarHBondContact O-CG 3.25Å; P76-Y79 PolarHBondContact O-N 2.85Å; P76-V80 WeakPolarHBondContact O-CG2 3.43Å; P76-V80 PolarHBondContact O-N 3.41Å
77F96.4Very high94.9Very high152 Ų152102.9 Ų102.967%0.66754%0.539SS*.Hα-helixtrans-73.1-36.3179.1-81.5-97.8000112.6I73 V74 I75 Y79 G81I73-F77 HydrophobicContact CG2-CD2 4.06Å; I73-F77 HydrophobicContact CG2-CE2 4.19Å; I73-F77 WeakPolarHBondContact O-CD2 3.28Å; I73-F77 PolarHBondContact O-N 3.11Å; V74-F77 PolarHBondContact O-N 3.18Å; I75-F77 VanDerWaalsContact C-N 3.33Å; I75-F77 PolarHBondContact O-N 2.9Å; F77-Y79 VanDerWaalsContact C-N 3.33Å; F77-G81 PolarHBondContact O-N 2.99Å
78L97.1Very high94.4Very high116 Ų116102.4 Ų102.461%0.60753%0.532SS*.Hα-helixtrans-62.2-43.6169.6-74.6178.3000110.8V74 I75 G81 T82V74-L78 HydrophobicContact CG1-CD1 3.46Å; V74-L78 VanDerWaalsContact CG1-CD1 3.46Å; V74-L78 HydrophobicContact CG1-CG 3.93Å; V74-L78 WeakPolarHBondContact O-CB 3.47Å; V74-L78 VanDerWaalsContact O-CG 3.25Å; V74-L78 WeakPolarHBondContact O-CG 3.19Å; V74-L78 PolarHBondContact O-N 3.44Å; I75-L78 PolarHBondContact O-N 3.42Å; L78-G81 CarbonylContact O-C 3.57Å; L78-G81 WeakPolarHBondContact O-CA 3.48Å; L78-G81 PolarHBondContact O-N 3.43Å; L78-T82 WeakPolarHBondContact O-CG2 3.17Å; L78-T82 PolarHBondContact O-N 3.34Å
79Y97.3Very high93.8Very high143 Ų14399.5 Ų99.556%0.56152%0.524SS*.Hα-helixtrans-61.8-45.8177.8179.5-106.1000112.5I75 P76 F77 G81 T82 L83I75-Y79 WeakPolarHBondContact O-CB 3.18Å; I75-Y79 PolarHBondContact O-N 3.41Å; P76-Y79 PolarHBondContact O-N 2.85Å; F77-Y79 VanDerWaalsContact C-N 3.33Å; Y79-G81 VanDerWaalsContact C-N 3.28Å; Y79-G81 PolarHBondContact O-N 2.93Å; Y79-T82 PolarHBondContact O-N 2.7Å; Y79-T82 PolarHBondContact O-OG1 3.16Å; Y79-L83 HydrophobicContact CD1-CD1 4.03Å; Y79-L83 HydrophobicContact CD1-CG 4.48Å; Y79-L83 HydrophobicContact CE1-CD1 3.47Å; Y79-L83 VanDerWaalsContact CE1-CD1 3.47Å; Y79-L83 HydrophobicContact CE1-CG 4.11Å; Y79-L83 HydrophobicContact CE2-CD2 4.36Å; Y79-L83 HydrophobicContact CE2-CG 4.42Å; Y79-L83 WeakPolarHBondContact O-CG 3.12Å; Y79-L83 PolarHBondContact O-N 3.19Å
80V97.4Very high93Very high75 Ų7594.5 Ų94.546%0.45552%0.515SS..Hα-helixtrans-62.2-40.4174.3173.60000110.7P76 T82 L83 I84P76-V80 WeakPolarHBondContact O-CG2 3.43Å; P76-V80 PolarHBondContact O-N 3.41Å; V80-T82 VanDerWaalsContact C-N 3.34Å; V80-T82 PolarHBondContact O-N 3.24Å; V80-L83 PolarHBondContact O-N 3.35Å; V80-I84 HydrophobicContact CG1-CD1 3.82Å; V80-I84 HydrophobicContact CG1-CG1 4.41Å; V80-I84 WeakPolarHBondContact O-CG1 3.33Å; V80-I84 PolarHBondContact O-N 3.05Å
81G96.3Very high91.7Very high37 Ų3793.9 Ų93.938%0.38151%0.509SS..Hα-helixtrans-59.4-40.7174.600000113.2F77 L78 Y79 S85F77-G81 PolarHBondContact O-N 2.99Å; L78-G81 CarbonylContact O-C 3.57Å; L78-G81 WeakPolarHBondContact O-CA 3.48Å; L78-G81 PolarHBondContact O-N 3.43Å; Y79-G81 VanDerWaalsContact C-N 3.28Å; Y79-G81 PolarHBondContact O-N 2.93Å; G81-S85 WeakPolarHBondContact O-CB 3.48Å; G81-S85 PolarHBondContact O-N 3.33Å
82T93.9Very high90.3Very high83 Ų8390.1 Ų90.151%0.50949%0.494SS..Hα-helixtrans-69.5-38.1176.260.10000112.2L78 Y79 V80 S85 K86L78-T82 WeakPolarHBondContact O-CG2 3.17Å; L78-T82 PolarHBondContact O-N 3.34Å; Y79-T82 PolarHBondContact O-N 2.7Å; Y79-T82 PolarHBondContact O-OG1 3.16Å; V80-T82 VanDerWaalsContact C-N 3.34Å; V80-T82 PolarHBondContact O-N 3.24Å; T82-S85 PolarHBondContact O-N 3.43Å; T82-K86 VanDerWaalsContact O-CB 3.31Å; T82-K86 WeakPolarHBondContact O-CB 3.43Å; T82-K86 PolarHBondContact O-N 3.12Å
83L93.5Very high88.8Confident84 Ų8493.2 Ų93.244%0.4450%0.499SS..Hα-helixtrans-63.1-45.6175.9-68-178.2000112Y79 V80 K86 N87Y79-L83 HydrophobicContact CD1-CD1 4.03Å; Y79-L83 HydrophobicContact CD1-CG 4.48Å; Y79-L83 HydrophobicContact CE1-CD1 3.47Å; Y79-L83 VanDerWaalsContact CE1-CD1 3.47Å; Y79-L83 HydrophobicContact CE1-CG 4.11Å; Y79-L83 HydrophobicContact CE2-CD2 4.36Å; Y79-L83 HydrophobicContact CE2-CG 4.42Å; Y79-L83 WeakPolarHBondContact O-CG 3.12Å; Y79-L83 PolarHBondContact O-N 3.19Å; V80-L83 PolarHBondContact O-N 3.35Å; L83-K86 PolarHBondContact O-N 3Å; L83-N87 WeakPolarHBondContact O-CB 3.35Å; L83-N87 PolarHBondContact O-N 3.14Å
84I91.3Very high87.2Confident113 Ų11395.8 Ų95.858%0.57951%0.509SS*.Hα-helixtrans-64-46.2176.5-65.1167.9000110.1V80 K86 N87 F88V80-I84 HydrophobicContact CG1-CD1 3.82Å; V80-I84 HydrophobicContact CG1-CG1 4.41Å; V80-I84 WeakPolarHBondContact O-CG1 3.33Å; V80-I84 PolarHBondContact O-N 3.05Å; I84-K86 VanDerWaalsContact C-N 3.32Å; I84-K86 PolarHBondContact O-N 3.26Å; I84-N87 PolarHBondContact O-N 3.27Å; I84-F88 WeakPolarHBondContact O-CB 3.35Å; I84-F88 PolarHBondContact O-N 3.23Å
85S91.8Very high85.5Confident78 Ų7898.7 Ų98.755%0.54552%0.518SS..Hα-helixtrans-59.5-42.5179-1750000112G81 T82 F88 A89G81-S85 WeakPolarHBondContact O-CB 3.48Å; G81-S85 PolarHBondContact O-N 3.33Å; T82-S85 PolarHBondContact O-N 3.43Å; S85-F88 PolarHBondContact O-N 3.49Å; S85-A89 WeakPolarHBondContact O-CB 3.34Å; S85-A89 PolarHBondContact O-N 3.42Å
86K88.5Confident83.6Confident163 Ų16399.8 Ų99.871%0.70953%0.525SS*.Hα-helixtrans-63.9-45.8176.6-175.1-179.3177.6-176.50112T82 L83 I84 F88 A89 A90T82-K86 VanDerWaalsContact O-CB 3.31Å; T82-K86 WeakPolarHBondContact O-CB 3.43Å; T82-K86 PolarHBondContact O-N 3.12Å; L83-K86 PolarHBondContact O-N 3Å; I84-K86 VanDerWaalsContact C-N 3.32Å; I84-K86 PolarHBondContact O-N 3.26Å; K86-F88 VanDerWaalsContact C-N 3.31Å; K86-F88 PolarHBondContact O-N 3.41Å; K86-A89 PolarHBondContact O-N 2.93Å; K86-A90 PolarHBondContact O-N 3.27Å; K86-A90 VanDerWaalsContact O-N 3.07Å
87N85.9Confident82Confident109 Ų109101.8 Ų101.858%0.58353%0.531SS*.Hα-helixtrans-67-35.8179.9-165.161.6000111.7L83 I84 L91L83-N87 WeakPolarHBondContact O-CB 3.35Å; L83-N87 PolarHBondContact O-N 3.14Å; I84-N87 PolarHBondContact O-N 3.27Å; N87-L91 WeakPolarHBondContact O-CG 3.36Å; N87-L91 PolarHBondContact O-N 3.49Å; N87-L91 VanDerWaalsContact O-N 3.12Å
88F83.3Confident79.7Confident124 Ų124101.4 Ų101.454%0.54453%0.529SS..Hα-helixtrans-70.4-40.1176.1-173.3-109000112.5I84 S85 K86 A90 L91 L92I84-F88 WeakPolarHBondContact O-CB 3.35Å; I84-F88 PolarHBondContact O-N 3.23Å; S85-F88 PolarHBondContact O-N 3.49Å; K86-F88 VanDerWaalsContact C-N 3.31Å; K86-F88 PolarHBondContact O-N 3.41Å; F88-A90 VanDerWaalsContact C-N 3.34Å; F88-A90 PolarHBondContact O-N 2.88Å; F88-L91 PolarHBondContact O-N 3.12Å; F88-L92 HydrophobicContact CD1-CD1 3.81Å; F88-L92 HydrophobicContact CD1-CG 4.39Å; F88-L92 HydrophobicContact CE1-CD1 3.43Å; F88-L92 VanDerWaalsContact CE1-CD1 3.43Å; F88-L92 HydrophobicContact CE1-CG 4.09Å; F88-L92 HydrophobicContact CZ-CD1 4Å; F88-L92 HydrophobicContact CZ-CD2 4.28Å; F88-L92 HydrophobicContact CZ-CG 4.23Å; F88-L92 WeakPolarHBondContact O-CG 2.95Å; F88-L92 PolarHBondContact O-N 3.27Å
89A82.1Confident77.6Confident53 Ų53100.3 Ų100.344%0.43853%0.527SS..Hα-helixtrans-60.4-43.5173.400000111.7S85 K86 L91 L92 E93S85-A89 WeakPolarHBondContact O-CB 3.34Å; S85-A89 PolarHBondContact O-N 3.42Å; K86-A89 PolarHBondContact O-N 2.93Å; A89-L91 VanDerWaalsContact C-N 3.31Å; A89-L91 PolarHBondContact O-N 3.41Å; A89-L92 PolarHBondContact O-N 3.44Å; A89-L92 VanDerWaalsContact O-N 3.12Å; A89-E93 PolarHBondContact O-N 3.07Å
90A78.1Confident75.9Confident48 Ų4898.7 Ų98.740%0.39753%0.534SS..Hα-helixtrans-63-35.2175.700000112.9K86 F88 E94K86-A90 PolarHBondContact O-N 3.27Å; K86-A90 VanDerWaalsContact O-N 3.07Å; F88-A90 VanDerWaalsContact C-N 3.34Å; F88-A90 PolarHBondContact O-N 2.88Å; A90-E94 PolarHBondContact O-N 3.43Å
91L69Low73.7Confident70 Ų70103.8 Ų103.837%0.36655%0.553SS.*Hα-helixtrans-69.6-32.2173.2-71.9174.8000112.8N87 F88 A89 H95N87-L91 WeakPolarHBondContact O-CG 3.36Å; N87-L91 PolarHBondContact O-N 3.49Å; N87-L91 VanDerWaalsContact O-N 3.12Å; F88-L91 PolarHBondContact O-N 3.12Å; A89-L91 VanDerWaalsContact C-N 3.31Å; A89-L91 PolarHBondContact O-N 3.41Å; L91-H95 WeakPolarHBondContact O-CB 3.39Å; L91-H95 PolarHBondContact O-CD2 3.05Å; L91-H95 PolarHBondContact O-N 2.99Å; L91-H95 VanDerWaalsContact O-N 3.14Å
92L67.6Low71.7Confident36 Ų36108.8 Ų108.819%0.18857%0.571CS.*Hα-helixtrans-75.1-32.2176.1-71.1174.8000112.4F88 A89 H95 D96 I97 F98F88-L92 HydrophobicContact CD1-CD1 3.81Å; F88-L92 HydrophobicContact CD1-CG 4.39Å; F88-L92 HydrophobicContact CE1-CD1 3.43Å; F88-L92 VanDerWaalsContact CE1-CD1 3.43Å; F88-L92 HydrophobicContact CE1-CG 4.09Å; F88-L92 HydrophobicContact CZ-CD1 4Å; F88-L92 HydrophobicContact CZ-CD2 4.28Å; F88-L92 HydrophobicContact CZ-CG 4.23Å; F88-L92 WeakPolarHBondContact O-CG 2.95Å; F88-L92 PolarHBondContact O-N 3.27Å; A89-L92 PolarHBondContact O-N 3.44Å; A89-L92 VanDerWaalsContact O-N 3.12Å; L92-H95 PolarHBondContact O-N 2.93Å; L92-D96 PolarHBondContact O-N 3.46Å; L92-I97 HydrophobicContact CD2-CB 4.12Å; L92-I97 HydrophobicContact CD2-CD1 4.11Å; L92-I97 HydrophobicContact CD2-CG2 4.29Å; L92-I97 PolarHBondContact O-N 3.03Å; L92-F98 HydrophobicContact CB-CD2 4.46Å; L92-F98 HydrophobicContact CD1-CD2 4.03Å; L92-F98 HydrophobicContact CD1-CE2 4.28Å
93E65.9Low70Confident151 Ų151111.5 Ų111.571%0.70658%0.582SS**Hα-helixtrans-63-45.4168.6-175-178.3178.900110.5A89 H95 D96A89-E93 PolarHBondContact O-N 3.07Å; E93-H95 VanDerWaalsContact C-N 3.26Å; E93-H95 PolarHBondContact O-N 2.9Å; E93-D96 PolarHBondContact O-N 2.86Å
94E63.1Low68.1Low149 Ų149114.7 Ų114.770%0.69660%0.6SS**Hα-helixtrans-64.7-28176.4-173.4178.9175.500113.3A90A90-E94 PolarHBondContact O-N 3.43Å
95H62.8Low66.6Low123 Ų123115.3 Ų115.357%0.56961%0.605SS**THydrogen-bonded Turntrans-96.48.3-179.5-71.5-48.8000114.9L91 L92 E93 I97L91-H95 WeakPolarHBondContact O-CB 3.39Å; L91-H95 PolarHBondContact O-CD2 3.05Å; L91-H95 PolarHBondContact O-N 2.99Å; L91-H95 VanDerWaalsContact O-N 3.14Å; L92-H95 PolarHBondContact O-N 2.93Å; E93-H95 VanDerWaalsContact C-N 3.26Å; E93-H95 PolarHBondContact O-N 2.9Å; H95-I97 HydrophobicContact CB-CD1 4.08Å; H95-I97 HydrophobicContact CB-CG1 3.92Å; H95-I97 WeakPolarHBondContact O-CG1 3.31Å; H95-I97 PolarHBondContact O-N 2.82Å
96D57.3Low65.1Low127 Ų127119.3 Ų119.368%0.67962%0.62SS**THydrogen-bonded Turntrans55.325176.5-143.631000113.4L92 E93 V99L92-D96 PolarHBondContact O-N 3.46Å; E93-D96 PolarHBondContact O-N 2.86Å; D96-V99 WeakPolarHBondContact OD1-CG2 3.5Å
97I63.8Low63.8Low103 Ų103123.1 Ų123.153%0.52865%0.648SS.*SBendtrans-83.8-26.3-176.2-59.5-171.3000110.9L92 H95L92-I97 HydrophobicContact CD2-CB 4.12Å; L92-I97 HydrophobicContact CD2-CD1 4.11Å; L92-I97 HydrophobicContact CD2-CG2 4.29Å; L92-I97 PolarHBondContact O-N 3.03Å; H95-I97 HydrophobicContact CB-CD1 4.08Å; H95-I97 HydrophobicContact CB-CG1 3.92Å; H95-I97 WeakPolarHBondContact O-CG1 3.31Å; H95-I97 PolarHBondContact O-N 2.82Å
98F47.6Very low62.7Low144 Ų144123.8 Ų123.863%0.63265%0.651SS**  trans-140.285174.8-70.8-79.3000108.9L92 P100L92-F98 HydrophobicContact CB-CD2 4.46Å; L92-F98 HydrophobicContact CD1-CD2 4.03Å; L92-F98 HydrophobicContact CD1-CE2 4.28Å; F98-P100 VanDerWaalsContact O-CD 3.3Å; F98-P100 WeakPolarHBondContact O-CD 3.38Å
99V53.8Low61.6Low93 Ų93123.8 Ų123.856%0.56466%0.657SS**  trans-73.6115.4155.5178.50000105.6D96 E101D96-V99 WeakPolarHBondContact OD1-CG2 3.5Å; V99-E101 PolarHBondContact O-N 3.1Å
100P60Low60.5Low109 Ų109127.7 Ų127.771%0.70867%0.669SS**  trans-57.7125.5148.1-5.522000104.9F98 D102F98-P100 VanDerWaalsContact O-CD 3.3Å; F98-P100 WeakPolarHBondContact O-CD 3.38Å; P100-D102 PolarHBondContact O-N 2.69Å
101E51.3Low59.4Low183 Ų183132.4 Ų132.486%0.85569%0.685SS**  trans-53.494.5162.3-66.6179.6173.400105.4V99 D103V99-E101 PolarHBondContact O-N 3.1Å; E101-D103 PolarHBondContact O-N 3.41Å; E101-D103 VanDerWaalsContact O-N 3.16Å
102D55.3Low58.8Low141 Ų141136.3 Ų136.375%0.75471%0.705SS**  trans-63.5112.1161.5-133.71.6000101.6P100 D104P100-D102 PolarHBondContact O-N 2.69Å; D102-D104 PolarHBondContact O-N 3.31Å
103D57.2Low58.2Low140 Ų140143 Ų14375%0.74974%0.739SS**  trans-52.882.2172-99.4-32.8000108.3E101 D105E101-D103 PolarHBondContact O-N 3.41Å; E101-D103 VanDerWaalsContact O-N 3.16Å; D103-D105 PolarHBondContact O-N 3.02Å
104D55.1Low57.7Low152 Ų152142.4 Ų142.481%0.81374%0.741SS**  trans-77.938.2160.9-91.2-28.2000109.4D102D102-D104 PolarHBondContact O-N 3.31Å
105D59.7Low57.3Low126 Ų126141.9 Ų141.967%0.67475%0.745SS**  trans-141.688.8179.5-76.5-39.1000109.1D103D103-D105 PolarHBondContact O-N 3.02Å
106D59.3Low56.8Low161 Ų161143.5 Ų143.586%0.86176%0.76SS**  trans-179.593.6144.8-86.3-22.4000111
107D61.4Low56.8Low243 Ų243145 Ų145100%1.29977%0.767SS**  trans61.50159.5-57.9-28.5000122.3

Retrieved 107 of 107 residues in 247.9 ms (Link to these results)