A0A060D6V0_MAIZE Loading...

AP2-EREBP transcription factor

AlphaFold DB , UniProt , Accession A0A060D6V0, Species MAIZE (Zea mays, Maize), Gene EREB183, Length 296 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
1M58.3Low53.6Low231 Ų231138.6 Ų138.6100%1.13885%0.849SS**  086.40-64.2161.9167.500106
2M52.9Low54.4Low175 Ų175134.3 Ų134.386%0.86283%0.828SS**  4610686.7-64.5151.5144.100108.9
3N53.5Low54.9Low147 Ų147134.6 Ų134.679%0.78682%0.821SS**  -163.9127.175.4-64.6-14.6000108.4
4S57.1Low55.2Low102 Ų102136.6 Ų136.671%0.71382%0.817SS**  5710175.8-61.90000113.9
5R49.7Very low55.1Low241 Ų241138.4 Ų138.491%0.90981%0.813SS**  93122.693.8-81.5177.7177.5-170.9-0.4112.8
6G52.6Low55.5Low84 Ų84135.3 Ų135.387%0.86680%0.796SS**  trans-163.682.6169.200000109.8
7S54.7Low56Low121 Ų121136.1 Ų136.185%0.84679%0.792SS**  trans-93.8160.4177.8-53.70000111
8G53.9Low56.4Low75 Ų75137.8 Ų137.877%0.77379%0.794SS**  trans98.5141.8160.800000113
9S51Low56.6Low121 Ų121134.8 Ų134.885%0.84679%0.788SS**  cis-17114417.238.10000109.6
10S49.6Very low56.6Low116 Ų116137.8 Ų137.881%0.81179%0.791SS**  trans-54.2146.7166.2-44.20000114
11S56.5Low56.7Low112 Ų112135.7 Ų135.778%0.78379%0.785SS**  trans-159.499.9153.4-80.10000105.9
12S62.9Low56.6Low86 Ų86132.9 Ų132.960%0.60177%0.769SS**  69.3127.479.591.60000113.5
13N61.2Low57.1Low139 Ų139132.5 Ų132.574%0.74376%0.764SS**  trans79.3123.2157-42.4-30.9000113
14H59.5Low57.9Low163 Ų163131.1 Ų131.176%0.75576%0.764SS**  cis-173141.147.547.4-71.3000108.9T16H14-T16 PolarHBondContact O-N 3.25Å
15Q53.2Low58Low163 Ų163133.9 Ų133.976%0.76277%0.77SS**  trans-55.1123.8163.3-172.3101.940.800110.3M17Q15-M17 HydrophobicContact CG-CG 3.94Å
16T62.2Low58.9Low88 Ų88128.3 Ų128.354%0.5477%0.765SS.*  trans-122.295.1156.8-72.90000107.4H14 M18H14-T16 PolarHBondContact O-N 3.25Å; T16-M18 HydrophobicContact CG2-CE 3.52Å; T16-M18 HydrophobicContact CG2-CG 4.06Å; T16-M18 HydrophobicContact CG2-SD 3.73Å; T16-M18 PolarHBondContact O-N 2.93Å
17M63Low58.8Low149 Ų149128.8 Ų128.873%0.73476%0.761SS**  trans-69.6107.1161.1-66.7-87.3-82.600106.3Q15 A19Q15-M17 HydrophobicContact CG-CG 3.94Å; M17-A19 VanDerWaalsContact C-N 3.33Å; M17-A19 PolarHBondContact O-N 3.32Å; M17-A19 VanDerWaalsContact O-N 3.08Å
18M64.2Low58.6Low168 Ų168129.5 Ų129.583%0.82876%0.76SS**  trans-76.297.4164.3-68.6-59.2-172.500106.9T16T16-M18 HydrophobicContact CG2-CE 3.52Å; T16-M18 HydrophobicContact CG2-CG 4.06Å; T16-M18 HydrophobicContact CG2-SD 3.73Å; T16-M18 PolarHBondContact O-N 2.93Å
19A60.1Low58.4Low81 Ų81129.9 Ų129.967%0.66976%0.756SS**  trans-59.7138176.900000111M17 S21M17-A19 VanDerWaalsContact C-N 3.33Å; M17-A19 PolarHBondContact O-N 3.32Å; M17-A19 VanDerWaalsContact O-N 3.08Å; A19-S21 PolarHBondContact O-N 3.09Å; A19-S21 VanDerWaalsContact O-N 3.16Å
20F56.3Low58.5Low193 Ų193129.6 Ų129.685%0.84675%0.754SS**  trans-57.5108.2156.2-88.7-109.2000108E22F20-E22 VanDerWaalsContact C-N 3.28Å; F20-E22 PolarHBondContact O-N 3.27Å
21S58.4Low58.8Low95 Ų95129.2 Ų129.266%0.66475%0.751SS**  trans-78.384166.1-65.50000108.7A19 H23A19-S21 PolarHBondContact O-N 3.09Å; A19-S21 VanDerWaalsContact O-N 3.16Å; S21-H23 PolarHBondContact O-N 2.96Å
22E56.2Low58.8Low171 Ų171129.5 Ų129.580%0.79975%0.753SS**  trans-63.8118.4150.1-92.1165.6103.700107.7F20 P24F20-E22 VanDerWaalsContact C-N 3.28Å; F20-E22 PolarHBondContact O-N 3.27Å; E22-P24 VanDerWaalsContact O-CD 3.25Å; E22-P24 WeakPolarHBondContact O-CD 3.45Å
23H64.4Low58.2Low168 Ų168128.9 Ų128.978%0.77876%0.761SS**  trans-89.5112.4169.4-70.8-77.4000108.9S21S21-H23 PolarHBondContact O-N 2.96Å
24P69.8Low58.1Low118 Ų118130.6 Ų130.677%0.76677%0.765SS**PPolyproline II helixtrans-81128.3166.831.1-30.8000110.2E22E22-P24 VanDerWaalsContact O-CD 3.25Å; E22-P24 WeakPolarHBondContact O-CD 3.45Å
25N59.7Low57.7Low159 Ų159129.2 Ų129.285%0.8577%0.77SS**PPolyproline II helixtrans-65.6131.5172.5-73.7-34.3000111.5
26P68.4Low57.7Low124 Ų124129.9 Ų129.981%0.80577%0.773SS**PPolyproline II helixtrans-89.812116231.6-28.2000111
27A48.8Very low57.4Low94 Ų94130.3 Ų130.378%0.77779%0.785SS**PPolyproline II helixtrans-88.6120169.600000110.8
28T51.6Low57.2Low136 Ų136128.3 Ų128.383%0.83479%0.786SS**  trans-178.5106.6154.7150000106.1
29A50Low57.4Low83 Ų83126 Ų12669%0.68678%0.784SS**  109.6123.972.400000109.7
30S52Low57.4Low115 Ų115127.4 Ų127.480%0.80479%0.786SS**  trans76.2101151.1-44.10000119.2
31S55.7Low56.9Low108 Ų108123.6 Ų123.676%0.75578%0.784SS**  157.7119.6109.670.10000112.5
32S57.8Low56.7Low118 Ų118124.7 Ų124.783%0.82579%0.791SS**  trans46.211614259.30000120.6
33G50.5Low56.8Low74 Ų74121.8 Ų121.876%0.76379%0.787SS**  trans127.1117.1139.200000116.5
34Q58.1Low56Low175 Ų175119 Ų11982%0.81879%0.786SS**  trans86.7117.9163.5-59.5-171-42.500118.5Q36Q34-Q36 PolarHBondContact O-N 3.39Å
35P51.1Low55Low134 Ų134122.1 Ų122.187%0.8779%0.791SS**  trans-81.5105164.632.1-25.8000108.5
36Q52.8Low54.9Low177 Ų177124.9 Ų124.983%0.82779%0.789SS**PPolyproline II helixtrans-89.1118.3162.7-82.9-166-5.600109.3Q34 S38Q34-Q36 PolarHBondContact O-N 3.39Å; Q36-S38 PolarHBondContact O-N 3.14Å
37A57Low54.5Low96 Ų96124.4 Ų124.479%0.79379%0.786SS**PPolyproline II helixtrans-55.3125.4178.800000111.7
38S58.9Low54.8Low107 Ų107125.6 Ų125.675%0.74879%0.786SS**PPolyproline II helixtrans-60.2131.7166.4-21.30000109.3Q36Q36-S38 PolarHBondContact O-N 3.14Å
39P68.7Low54.6Low121 Ų121124.8 Ų124.879%0.78679%0.786SS**PPolyproline II helixtrans-66.1130.8168.927-31.1000108.8S41P39-S41 PolarHBondContact O-N 3.03Å
40P60Low54.3Low110 Ų110124 Ų12471%0.71479%0.785SS**PPolyproline II helixtrans-71.5130.3175.329.4-31.8000109.6S42P40-S42 PolarHBondContact O-N 3.38Å
41S44.9Very low53.7Low113 Ų113129.6 Ų129.679%0.7979%0.789SS**  trans41.481136-39.90000116.2P39 P43P39-S41 PolarHBondContact O-N 3.03Å; S41-P43 WeakPolarHBondContact O-CD 3.48Å
42S54.9Low53.1Low118 Ų118128.4 Ų128.483%0.82579%0.794SS**  trans-78.4109.1155.9-60.20000108.2P40 S44P40-S42 PolarHBondContact O-N 3.38Å; S42-S44 PolarHBondContact O-N 3.38Å; S42-S44 VanDerWaalsContact O-N 3.14Å
43P57.8Low52.6Low110 Ų110133.9 Ų133.971%0.71480%0.796SS**  trans-63.3119.6163.128.8-30.3000105.7S41 E45S41-P43 WeakPolarHBondContact O-CD 3.48Å; P43-E45 VanDerWaalsContact C-N 3.28Å; P43-E45 PolarHBondContact O-N 3.25Å
44S47.9Very low52.7Low108 Ų108142 Ų14276%0.75580%0.804SS**  trans-55.999.3166.8-179.10000107.2S42 R46S42-S44 PolarHBondContact O-N 3.38Å; S42-S44 VanDerWaalsContact O-N 3.14Å; S44-R46 PolarHBondContact O-N 2.9Å
45E48.5Very low52.5Low184 Ų184145.6 Ų145.686%0.8681%0.81SS**  trans-61.679.3163.6-86.7-177.4123.200107P43 P47P43-E45 VanDerWaalsContact C-N 3.28Å; P43-E45 PolarHBondContact O-N 3.25Å; E45-P47 WeakPolarHBondContact O-CD 3.43Å
46R57.5Low52.5Low217 Ų217143.2 Ų143.282%0.81980%0.802SS**PPolyproline II helixtrans-58.1117.5153.9-90.3-179.5165.9-155.8-2.9105S44 P48S44-R46 PolarHBondContact O-N 2.9Å; R46-P48 VanDerWaalsContact O-N 3.13Å
47P59.9Low52.7Low114 Ų114139.9 Ų139.974%0.7479%0.786SS**PPolyproline II helixtrans-54.4128.6173.323-31.5000106.4E45 S49E45-P47 WeakPolarHBondContact O-CD 3.43Å; P47-S49 PolarHBondContact O-N 3.46Å
48P55.2Low52.6Low120 Ų120141.7 Ų141.778%0.77978%0.778SS**PPolyproline II helixtrans-55.3121.7-175.920.9-30.9000107.2R46 G50R46-P48 VanDerWaalsContact O-N 3.13Å; P48-G50 PolarHBondContact O-N 2.85Å
49S47Very low52.7Low118 Ų118143.2 Ų143.283%0.82579%0.785SS**  trans-62.169.4161.8163.10000107.5P47 R51P47-S49 PolarHBondContact O-N 3.46Å; S49-R51 PolarHBondContact O-N 3.21Å
50G43.7Very low52.8Low66 Ų66140.6 Ų140.668%0.6878%0.781SS**  trans-76.999.2-178.500000108.1P48 G52P48-G50 PolarHBondContact O-N 2.85Å; G50-G52 PolarHBondContact O-N 2.84Å; G50-G52 VanDerWaalsContact O-N 3.11Å
51R39.7Very low54.2Low233 Ų233143.7 Ų143.788%0.87978%0.778SS**  trans-44.4110.3172.3-67.7172-115.1-177.6-2.6111.4S49 R53S49-R51 PolarHBondContact O-N 3.21Å; R51-R53 PolarHBondContact O-N 3.43Å
52G43.6Very low56.5Low83 Ų83141.1 Ų141.186%0.85675%0.753SS**SBendtrans65.819.7131.400000120.3G50G50-G52 PolarHBondContact O-N 2.84Å; G50-G52 VanDerWaalsContact O-N 3.11Å
53R46.9Very low58.3Low233 Ų233136.9 Ų136.988%0.87972%0.721SS**SBendtrans-131112.5174.5-75-175-178.3-175.60.7111.9R51R51-R53 PolarHBondContact O-N 3.43Å
54R52.5Low60Low245 Ų245133 Ų13393%0.92570%0.701SS**  trans57.475.7168.5-54.9-171.5-169.2-130.64.2116.1A56R54-A56 PolarHBondContact O-N 2.86Å
55R54.2Low62.3Low251 Ų251129.1 Ų129.195%0.94767%0.672SS**  trans-68.487.9146.3-69.7-173.9-169.8-1291106Q57R55-Q57 PolarHBondContact O-N 2.73Å
56A51.3Low64.4Low84 Ų84124.7 Ų124.769%0.69465%0.648SS**  trans-46.3125.6157.600000105.7R54 E58R54-A56 PolarHBondContact O-N 2.86Å; A56-E58 PolarHBondContact O-N 3.17Å
57Q55.9Low66.2Low106 Ų106123.1 Ų123.150%0.49564%0.642SS.*  trans-50.9109.6-178-64.3176.75.700106.9R55 L63R55-Q57 PolarHBondContact O-N 2.73Å; Q57-L63 HydrophobicContact CG-CD1 4.14Å
58E55.7Low67.8Low135 Ų135124.8 Ų124.863%0.63163%0.633SS**  trans-55.3127.7166.9-75.4-122.9145.400105.9A56 G60 R61A56-E58 PolarHBondContact O-N 3.17Å; E58-G60 VanDerWaalsContact C-N 3.35Å; E58-G60 PolarHBondContact O-N 2.79Å; E58-R61 PolarHBondContact O-N 3.28Å
59P61.2Low69.5Low138 Ų138125.6 Ų125.690%0.89664%0.638SS**THydrogen-bonded Turntrans-57.599.6-17620.3-30.4000108.7
60G70.9Confident71.6Confident67 Ų67130.2 Ų130.269%0.69164%0.638SS**THydrogen-bonded Turntrans126-5.7-174.600000116.7E58E58-G60 VanDerWaalsContact C-N 3.35Å; E58-G60 PolarHBondContact O-N 2.79Å
61R88.4Confident73.9Confident174 Ų174129.1 Ų129.166%0.65763%0.626SS**  trans-116.5113.3175-63.9-176-175.3-82.30.3111.7E58E58-R61 PolarHBondContact O-N 3.28Å
62F93.7Very high76.6Confident60 Ų60122.5 Ų122.526%0.26360%0.601SS.*  trans-82.7146.4171.8-63.2-71.5000111.7V65 A94 A98 N116 F117F62-V65 HydrophobicContact CB-CB 3.94Å; F62-V65 HydrophobicContact CB-CG2 3.68Å; F62-V65 PolarHBondContact O-N 3.47Å; F62-A94 HydrophobicContact CD2-CB 3.74Å; F62-A94 WeakPolarHBondContact CD2-O 3.26Å; F62-A94 HydrophobicContact CE2-CB 3.77Å; F62-A98 HydrophobicContact CB-CB 3.58Å; F62-A98 HydrophobicContact CD1-CB 3.77Å; F62-A98 HydrophobicContact CD2-CB 4.05Å; F62-A98 HydrophobicContact CE1-CB 4.46Å; F62-A98 HydrophobicContact CG-CB 3.53Å; F62-N116 VanDerWaalsContact CA-OD1 3.28Å; F62-N116 WeakPolarHBondContact CA-OD1 3.45Å; F62-N116 WeakPolarHBondContact CB-OD1 3.4Å; F62-N116 HydrophobicContact CD1-CB 4.03Å; F62-F117 HydrophobicContact CE1-CE1 4.22Å; F62-F117 HydrophobicContact CE1-CZ 4.07Å
63L93.1Very high79.1Confident29 Ų29121.4 Ų121.415%0.15257%0.572CS.*THydrogen-bonded Turntrans-57135.7171.6-68.583.4000110.1Q57 V65 Y101 R114 N116Q57-L63 HydrophobicContact CG-CD1 4.14Å; L63-V65 PolarHBondContact O-N 2.75Å; L63-V65 VanDerWaalsContact O-N 3.1Å; L63-Y101 HydrophobicContact CB-CD1 4.17Å; L63-Y101 HydrophobicContact CB-CE1 3.82Å; L63-R114 HydrophobicContact CD2-CG 3.88Å; L63-N116 WeakPolarHBondContact CB-OD1 3.31Å; L63-N116 WeakPolarHBondContact CD1-OD1 3.16Å; L63-N116 PolarHBondContact N-OD1 3.29Å; L63-N116 PolarHBondContact O-ND2 2.93Å
64G93.5Very high81.4Confident28 Ų28110.4 Ų110.429%0.28953%0.531SS..THydrogen-bonded Turntrans72.9-8.6-179.200000115A75 E76 Y101G64-A75 WeakPolarHBondContact O-CA 3.37Å; G64-E76 PolarHBondContact O-N 3.35Å; G64-Y101 VanDerWaalsContact CA-CD2 3.47Å
65V95.1Very high83.5Confident27 Ų2798.7 Ų98.716%0.16449%0.487CS..EExtended strand (participates in β ladder)trans-99.5128.2-175.7-1760000111.4F62 L63 Y73 A74 A97 A98F62-V65 HydrophobicContact CB-CB 3.94Å; F62-V65 HydrophobicContact CB-CG2 3.68Å; F62-V65 PolarHBondContact O-N 3.47Å; L63-V65 PolarHBondContact O-N 2.75Å; L63-V65 VanDerWaalsContact O-N 3.1Å; V65-Y73 HydrophobicContact CG1-CD1 3.81Å; V65-Y73 HydrophobicContact CG1-CG 4.33Å; V65-A74 WeakPolarHBondContact CA-O 3.22Å; V65-A97 HydrophobicContact CB-CB 4.38Å; V65-A97 HydrophobicContact CG1-CB 3.8Å; V65-A97 HydrophobicContact CG2-CB 3.66Å; V65-A98 HydrophobicContact CG2-CB 4.06Å
66R94.6Very high85.4Confident90 Ų9088.9 Ų88.934%0.3445%0.452SS..EExtended strand (participates in β ladder)trans-122.9142.1172.263.3-178.6179.876.7-4.5111.3Y73 A74 E76 W87R66-Y73 WeakPolarHBondContact O-CA 3.12Å; R66-A74 HydrophobicContact CG-CB 3.86Å; R66-A74 PolarHBondContact N-O 3Å; R66-A74 PolarHBondContact O-N 3.36Å; R66-E76 IonicContact NE-OE2 3.67Å; R66-W87 VanDerWaalsContact NH2-CZ3 3.27Å
67R94.2Very high87.4Confident185 Ų18585.2 Ų85.270%0.69842%0.42SS*.EExtended strand (participates in β ladder)trans-92.2125.6173.1-164.8175.478.2-177.45.4110Y73R67-Y73 HydrophobicContact CB-CD1 4.34Å; R67-Y73 HydrophobicContact CB-CE1 4.14Å; R67-Y73 HydrophobicContact CG-CD1 4.45Å; R67-Y73 HydrophobicContact CG-CE1 4.03Å
68R92.7Very high89.3Confident148 Ų14886.1 Ų86.156%0.55842%0.419SS*.  trans-86151.8173.4177.8122.9-100-171.6-6.7109.1W70 G71 R72R68-W70 HydrophobicContact CG-CB 3.95Å; R68-W70 PolarHBondContact O-N 3.2Å; R68-W70 VanDerWaalsContact O-N 3.08Å; R68-G71 PolarHBondContact O-N 3.29Å; R68-R72 PolarHBondContact N-O 3.29Å
69P92.8Very high90.9Very high137 Ų13781.3 Ų81.389%0.8940%0.398SS*.THydrogen-bonded Turntrans-55.7-21.7172.619.6-35.1000114.3G71P69-G71 PolarHBondContact O-N 3.16Å
70W90.7Very high92.2Very high216 Ų21680.2 Ų80.282%0.81839%0.391SS*.THydrogen-bonded Turntrans-69.6-8.7171.8-174.6-109.6000114.1R68R68-W70 HydrophobicContact CG-CB 3.95Å; R68-W70 PolarHBondContact O-N 3.2Å; R68-W70 VanDerWaalsContact O-N 3.08Å
71G92.3Very high93.1Very high42 Ų4283.3 Ų83.343%0.43340%0.396SS..SBendtrans96.2-23.7178.400000114.8R68 P69R68-G71 PolarHBondContact O-N 3.29Å; P69-G71 PolarHBondContact O-N 3.16Å
72R94.9Very high93.2Very high94 Ų9479 Ų7936%0.35539%0.389SS..  trans-72.2153177.6-61.1-171.584.6-166.54.1113.1R68 T90 D92R68-R72 PolarHBondContact N-O 3.29Å; R72-T90 PolarHBondContact NH1-OG1 3.34Å; R72-D92 IonicContact CZ-OD1 3.58Å; R72-D92 VanDerWaalsContact CZ-OD1 3.3Å; R72-D92 IonicContact NE-OD1 3.26Å; R72-D92 PolarHBondContact NE-OD1 2.93Å; R72-D92 IonicContact NH2-OD1 2.84Å; R72-D92 PolarHBondContact NH2-OD1 2.71Å
73Y96.1Very high93Very high60 Ų6084.8 Ų84.824%0.23541%0.414CS..EExtended strand (participates in β ladder)trans-95.7142174.9-62.4-85.9000109.8V65 R66 R67 T90 F91 D92 A94V65-Y73 HydrophobicContact CG1-CD1 3.81Å; V65-Y73 HydrophobicContact CG1-CG 4.33Å; R66-Y73 WeakPolarHBondContact O-CA 3.12Å; R67-Y73 HydrophobicContact CB-CD1 4.34Å; R67-Y73 HydrophobicContact CB-CE1 4.14Å; R67-Y73 HydrophobicContact CG-CD1 4.45Å; R67-Y73 HydrophobicContact CG-CE1 4.03Å; Y73-T90 CarbonylContact O-C 3.45Å; Y73-T90 WeakPolarHBondContact O-CA 3.17Å; Y73-F91 PolarHBondContact N-O 2.86Å; Y73-F91 PolarHBondContact O-N 3.26Å; Y73-D92 WeakPolarHBondContact CD2-O 3.44Å; Y73-D92 WeakPolarHBondContact CE2-O 3.4Å; Y73-A94 HydrophobicContact CD1-CB 3.71Å; Y73-A94 HydrophobicContact CD2-CB 4.37Å; Y73-A94 HydrophobicContact CE1-CB 3.54Å; Y73-A94 HydrophobicContact CE2-CB 4.24Å; Y73-A94 HydrophobicContact CG-CB 4.13Å
74A95.2Very high93Very high2 Ų286.4 Ų86.42%0.01742%0.421CS..EExtended strand (participates in β ladder)trans-124137.3176.700000109.5V65 R66 W87 G89 T90V65-A74 WeakPolarHBondContact CA-O 3.22Å; R66-A74 HydrophobicContact CG-CB 3.86Å; R66-A74 PolarHBondContact N-O 3Å; R66-A74 PolarHBondContact O-N 3.36Å; A74-W87 HydrophobicContact CB-CH2 3.42Å; A74-W87 VanDerWaalsContact CB-CH2 3.42Å; A74-W87 HydrophobicContact CB-CZ2 4.49Å; A74-W87 HydrophobicContact CB-CZ3 3.67Å; A74-G89 WeakPolarHBondContact CA-O 3.11Å; A74-T90 HydrophobicContact CB-CG2 4.21Å
75A96.4Very high93Very high0 Ų092.4 Ų92.40%044%0.435CS..EExtended strand (participates in β ladder)trans-114.7135.2174.200000111G64 L88 G89 F91 A97G64-A75 WeakPolarHBondContact O-CA 3.37Å; A75-L88 HydrophobicContact CB-CB 4.07Å; A75-L88 HydrophobicContact CB-CD1 4.19Å; A75-L88 WeakPolarHBondContact O-CB 3.47Å; A75-L88 PolarHBondContact O-N 3.04Å; A75-G89 PolarHBondContact N-O 3.12Å; A75-G89 PolarHBondContact O-N 3.31Å; A75-F91 HydrophobicContact CB-CD2 4.37Å; A75-F91 HydrophobicContact CB-CE2 3.89Å; A75-A97 HydrophobicContact CB-CB 4.24Å; A75-A97 WeakPolarHBondContact CB-O 3.44Å
76E94.6Very high92.9Very high45 Ų4592.2 Ų92.221%0.2143%0.432CS..EExtended strand (participates in β ladder)trans-140147.9173.465.2-175.6-132.200109.6G64 R66 R78 H86 Y101G64-E76 PolarHBondContact O-N 3.35Å; R66-E76 IonicContact NE-OE2 3.67Å; E76-R78 IonicContact OE1-CZ 3.3Å; E76-R78 IonicContact OE1-NE 2.91Å; E76-R78 IonicContact OE1-NH2 3.66Å; E76-R78 PolarHBondContact OE1-NH2 3.09Å; E76-H86 CarbonylContact C-O 3.55Å; E76-H86 VanDerWaalsContact CA-O 3.26Å; E76-H86 WeakPolarHBondContact CA-O 3.33Å; E76-Y101 WeakPolarHBondContact O-CD2 3.48Å
77I94.4Very high92.9Very high6 Ų693 Ų933%0.03144%0.436CS..EExtended strand (participates in β ladder)trans-118.4153.8174.3-167.4156.2000110.6R85 H86 L88 Y101 A104 A105 M108I77-R85 WeakPolarHBondContact O-CA 3.29Å; I77-H86 HydrophobicContact CG2-CB 3.7Å; I77-H86 PolarHBondContact N-O 3.3Å; I77-H86 PolarHBondContact O-N 3.06Å; I77-L88 HydrophobicContact CB-CD1 4.18Å; I77-L88 HydrophobicContact CG2-CD1 4.33Å; I77-L88 HydrophobicContact CG2-CD2 3.89Å; I77-L88 HydrophobicContact CG2-CG 4.26Å; I77-Y101 HydrophobicContact CB-CD2 4.35Å; I77-Y101 HydrophobicContact CB-CE2 4.21Å; I77-Y101 HydrophobicContact CD1-CE2 4.27Å; I77-Y101 HydrophobicContact CG1-CE2 4.06Å; I77-A104 HydrophobicContact CD1-CB 3.92Å; I77-A104 HydrophobicContact CG2-CB 4.23Å; I77-A105 VanDerWaalsContact CD1-CA 3.45Å; I77-A105 HydrophobicContact CD1-CB 3.82Å; I77-M108 HydrophobicContact CB-SD 4.33Å; I77-M108 HydrophobicContact CD1-CE 3.99Å; I77-M108 HydrophobicContact CD1-SD 3.29Å; I77-M108 WeakPolarHBondContact CD1-SD 3.1Å; I77-M108 HydrophobicContact CG1-CE 3.93Å; I77-M108 HydrophobicContact CG1-SD 3.57Å; I77-M108 VanDerWaalsContact CG1-SD 3.57Å; I77-M108 HydrophobicContact CG2-SD 3.82Å
78R94Very high92.9Very high125 Ų12586.5 Ų86.547%0.47241%0.414SS..EExtended strand (participates in β ladder)trans-129.2131.5-177.7-61-175.8179.9-135.1-3.1110.1E76 E84 R85E76-R78 IonicContact OE1-CZ 3.3Å; E76-R78 IonicContact OE1-NE 2.91Å; E76-R78 IonicContact OE1-NH2 3.66Å; E76-R78 PolarHBondContact OE1-NH2 3.09Å; R78-E84 WeakPolarHBondContact CA-O 2.79Å; R78-R85 HydrophobicContact CG-CG 4.22Å; R78-R85 VanDerWaalsContact NH1-NE 3.11Å
79D89.5Confident93Very high35 Ų3580 Ų8019%0.18739%0.394CS..  trans-89.2121.5179.4-73.229.1000108.4T81 T82 K83 E84 H86 M108D79-T81 PolarHBondContact O-N 3.26Å; D79-T82 WeakPolarHBondContact CB-OG1 3.21Å; D79-K83 WeakPolarHBondContact O-CA 3.1Å; D79-K83 PolarHBondContact O-N 2.96Å; D79-E84 PolarHBondContact N-O 2.9Å; D79-H86 IonicContact OD1-CD2 3.94Å; D79-H86 PolarHBondContact OD1-CD2 2.97Å; D79-H86 VanDerWaalsContact OD1-CD2 3.26Å; D79-H86 IonicContact OD1-NE2 3.46Å; D79-H86 IonicContact OD2-NE2 3.96Å; D79-M108 HydrophobicContact CB-CE 4.29Å; D79-M108 VanDerWaalsContact CG-CE 3.47Å; D79-M108 WeakPolarHBondContact OD1-CE 3.42Å; D79-M108 VanDerWaalsContact OD1-SD 3.4Å
80P88.5Confident93.2Very high115 Ų11576.4 Ų76.475%0.74737%0.369SS*.THydrogen-bonded Turntrans-66.4-28.2179.426.7-33.4000112
81T90.1Very high93.4Very high132 Ų13267.4 Ų67.481%0.8134%0.336SS*.THydrogen-bonded Turntrans-78.9-52.2-176.7-47.20000112D79D79-T81 PolarHBondContact O-N 3.26Å
82T90.5Very high93.6Very high82 Ų8270.7 Ų70.750%0.50334%0.343SS..THydrogen-bonded Turntrans-88.8-17-176.763.10000112.9D79 E84D79-T82 WeakPolarHBondContact CB-OG1 3.21Å; T82-E84 PolarHBondContact O-N 2.82Å; T82-E84 VanDerWaalsContact O-N 3.16Å; T82-E84 WeakPolarHBondContact OG1-CB 3.31Å; T82-E84 PolarHBondContact OG1-N 3.46Å
83K90.3Very high93.6Very high182 Ų18269.6 Ų69.679%0.79135%0.347SS*.  trans59.912.3-170.3-54.5173.8-176.7169.50113.6D79D79-K83 WeakPolarHBondContact O-CA 3.1Å; D79-K83 PolarHBondContact O-N 2.96Å
84E92.3Very high93.5Very high63 Ų6367.6 Ų67.629%0.29434%0.343SS..  trans-73151.9176.1-166.8174.7170.200110.6R78 D79 T82 H86 Q138R78-E84 WeakPolarHBondContact CA-O 2.79Å; D79-E84 PolarHBondContact N-O 2.9Å; T82-E84 PolarHBondContact O-N 2.82Å; T82-E84 VanDerWaalsContact O-N 3.16Å; T82-E84 WeakPolarHBondContact OG1-CB 3.31Å; T82-E84 PolarHBondContact OG1-N 3.46Å; E84-H86 IonicContact OE1-CE1 3.78Å; E84-H86 PolarHBondContact OE1-CE1 2.81Å; E84-H86 IonicContact OE1-ND1 3.69Å; E84-H86 IonicContact OE2-CE1 2.98Å; E84-H86 IonicContact OE2-NE2 2.71Å; E84-Q138 PolarHBondContact OE1-NE2 2.85Å
85R93.8Very high93.5Very high155 Ų15573.1 Ų73.159%0.58537%0.369SS*.EExtended strand (participates in β ladder)trans-112.7121.8175.6-55.1-174.5-172.7-173.72.3108.5I77 R78I77-R85 WeakPolarHBondContact O-CA 3.29Å; R78-R85 HydrophobicContact CG-CG 4.22Å; R78-R85 VanDerWaalsContact NH1-NE 3.11Å
86H92.4Very high93.4Very high23 Ų2377.4 Ų77.411%0.10639%0.389CS..EExtended strand (participates in β ladder)trans-102.9124.1177.2-58.1-77.5000109.5E76 I77 D79 E84 F134E76-H86 CarbonylContact C-O 3.55Å; E76-H86 VanDerWaalsContact CA-O 3.26Å; E76-H86 WeakPolarHBondContact CA-O 3.33Å; I77-H86 HydrophobicContact CG2-CB 3.7Å; I77-H86 PolarHBondContact N-O 3.3Å; I77-H86 PolarHBondContact O-N 3.06Å; D79-H86 IonicContact OD1-CD2 3.94Å; D79-H86 PolarHBondContact OD1-CD2 2.97Å; D79-H86 VanDerWaalsContact OD1-CD2 3.26Å; D79-H86 IonicContact OD1-NE2 3.46Å; D79-H86 IonicContact OD2-NE2 3.96Å; E84-H86 IonicContact OE1-CE1 3.78Å; E84-H86 PolarHBondContact OE1-CE1 2.81Å; E84-H86 IonicContact OE1-ND1 3.69Å; E84-H86 IonicContact OE2-CE1 2.98Å; E84-H86 IonicContact OE2-NE2 2.71Å; H86-F134 HydrophobicContact CB-CD1 3.67Å; H86-F134 HydrophobicContact CB-CE1 3.49Å; H86-F134 VanDerWaalsContact CB-CE1 3.49Å; H86-F134 HydrophobicContact CB-CZ 4.42Å; H86-F134 AromaticContact CG-CD1 3.87Å; H86-F134 AromaticContact CG-CE1 3.78Å; H86-F134 AromaticContact ND1-CD1 3.43Å; H86-F134 WeakPolarHBondContact ND1-CD1 3.37Å; H86-F134 AromaticContact ND1-CE1 3.31Å; H86-F134 VanDerWaalsContact ND1-CE1 3.31Å; H86-F134 WeakPolarHBondContact ND1-CE1 3.33Å
87W94.2Very high93.5Very high107 Ų10775.2 Ų75.241%0.40538%0.379SS..EExtended strand (participates in β ladder)trans-83.4116.2177.8173-99.9000109.6R66 A74 T90 F134R66-W87 VanDerWaalsContact NH2-CZ3 3.27Å; A74-W87 HydrophobicContact CB-CH2 3.42Å; A74-W87 VanDerWaalsContact CB-CH2 3.42Å; A74-W87 HydrophobicContact CB-CZ2 4.49Å; A74-W87 HydrophobicContact CB-CZ3 3.67Å; W87-T90 HydrophobicContact CH2-CG2 3.62Å; W87-T90 HydrophobicContact CZ2-CG2 3.41Å; W87-T90 VanDerWaalsContact CZ2-CG2 3.41Å; W87-F134 HydrophobicContact CB-CZ 4.33Å; W87-F134 WeakPolarHBondContact O-CE2 3.28Å
88L94.9Very high93.5Very high47 Ų4775 Ų7525%0.24638%0.377CS..EExtended strand (participates in β ladder)trans-89.1-28.4-176.4-57.1177.7000112.3A75 I77 Y101 A104A75-L88 HydrophobicContact CB-CB 4.07Å; A75-L88 HydrophobicContact CB-CD1 4.19Å; A75-L88 WeakPolarHBondContact O-CB 3.47Å; A75-L88 PolarHBondContact O-N 3.04Å; I77-L88 HydrophobicContact CB-CD1 4.18Å; I77-L88 HydrophobicContact CG2-CD1 4.33Å; I77-L88 HydrophobicContact CG2-CD2 3.89Å; I77-L88 HydrophobicContact CG2-CG 4.26Å; L88-Y101 HydrophobicContact CD1-CD2 4.36Å; L88-A104 HydrophobicContact CD1-CB 3.78Å; L88-A104 HydrophobicContact CD2-CB 3.6Å; L88-A104 HydrophobicContact CG-CB 4.35Å
89G95.6Very high93.6Very high13 Ų1371.3 Ų71.313%0.13437%0.367CS..EExtended strand (participates in β ladder)trans146.3178.4177.200000114.3A74 A75A74-G89 WeakPolarHBondContact CA-O 3.11Å; A75-G89 PolarHBondContact N-O 3.12Å; A75-G89 PolarHBondContact O-N 3.31Å
90T96.3Very high93.9Very high60 Ų6070 Ų7037%0.36836%0.361SS..EExtended strand (participates in β ladder)trans-112.5135.6164.550.40000110.2R72 Y73 A74 W87R72-T90 PolarHBondContact NH1-OG1 3.34Å; Y73-T90 CarbonylContact O-C 3.45Å; Y73-T90 WeakPolarHBondContact O-CA 3.17Å; A74-T90 HydrophobicContact CB-CG2 4.21Å; W87-T90 HydrophobicContact CH2-CG2 3.62Å; W87-T90 HydrophobicContact CZ2-CG2 3.41Å; W87-T90 VanDerWaalsContact CZ2-CG2 3.41Å
91F95.8Very high94.2Very high28 Ų2866.1 Ų66.112%0.12333%0.332CS..EExtended strand (participates in β ladder)trans-127.5157.5-175.6-52.9-85.6000109.6Y73 A75 E96 A97 A100Y73-F91 PolarHBondContact N-O 2.86Å; Y73-F91 PolarHBondContact O-N 3.26Å; A75-F91 HydrophobicContact CB-CD2 4.37Å; A75-F91 HydrophobicContact CB-CE2 3.89Å; F91-E96 HydrophobicContact CB-CB 4.2Å; F91-E96 HydrophobicContact CB-CG 4.23Å; F91-E96 HydrophobicContact CD1-CB 4.36Å; F91-E96 VanDerWaalsContact CD1-CD 3.49Å; F91-E96 HydrophobicContact CD1-CG 3.56Å; F91-E96 HydrophobicContact CE1-CG 4.27Å; F91-E96 HydrophobicContact CG-CB 4.48Å; F91-E96 HydrophobicContact CG-CG 4.14Å; F91-A97 HydrophobicContact CB-CB 4.02Å; F91-A97 HydrophobicContact CD2-CB 3.5Å; F91-A97 HydrophobicContact CE2-CB 4.32Å; F91-A97 HydrophobicContact CG-CB 4.02Å; F91-A100 HydrophobicContact CE1-CB 4.05Å; F91-A100 HydrophobicContact CE2-CB 3.74Å; F91-A100 HydrophobicContact CZ-CB 3.34Å
92D94.8Very high94.5Very high110 Ų11059.9 Ų59.959%0.58829%0.293SS*.SBendtrans-85.2-24.7-177.5-59.1-28.1000111R72 Y73R72-D92 IonicContact CZ-OD1 3.58Å; R72-D92 VanDerWaalsContact CZ-OD1 3.3Å; R72-D92 IonicContact NE-OD1 3.26Å; R72-D92 PolarHBondContact NE-OD1 2.93Å; R72-D92 IonicContact NH2-OD1 2.84Å; R72-D92 PolarHBondContact NH2-OD1 2.71Å; Y73-D92 WeakPolarHBondContact CD2-O 3.44Å; Y73-D92 WeakPolarHBondContact CE2-O 3.4Å
93T95.4Very high94.6Very high71 Ų7161 Ų6144%0.43629%0.288SS..SBendtrans-114.2150.8175.774.50000112.6Q95 E96 A97T93-Q95 VanDerWaalsContact C-N 3.3Å; T93-E96 WeakPolarHBondContact OG1-CB 3.34Å; T93-E96 PolarHBondContact OG1-N 3.36Å; T93-E96 VanDerWaalsContact OG1-N 3.09Å; T93-A97 PolarHBondContact O-N 3.49Å
94A94.7Very high94.8Very high19 Ų1953.1 Ų53.116%0.15726%0.257CS..Hα-helixtrans-67.4-34.5175.900000111.8F62 Y73 A98F62-A94 HydrophobicContact CD2-CB 3.74Å; F62-A94 WeakPolarHBondContact CD2-O 3.26Å; F62-A94 HydrophobicContact CE2-CB 3.77Å; Y73-A94 HydrophobicContact CD1-CB 3.71Å; Y73-A94 HydrophobicContact CD2-CB 4.37Å; Y73-A94 HydrophobicContact CE1-CB 3.54Å; Y73-A94 HydrophobicContact CE2-CB 4.24Å; Y73-A94 HydrophobicContact CG-CB 4.13Å; A94-A98 WeakPolarHBondContact O-CB 3.41Å; A94-A98 PolarHBondContact O-N 3.42Å
95Q94.7Very high94.8Very high118 Ų11850.5 Ų50.555%0.55125%0.246SC*.Hα-helixtrans-67.3-45.7179.2177.8178-19.200111.8T93 A97 A98 L99 F117T93-Q95 VanDerWaalsContact C-N 3.3Å; Q95-A97 VanDerWaalsContact C-N 3.34Å; Q95-A97 PolarHBondContact O-N 2.98Å; Q95-A98 WeakPolarHBondContact O-CB 3.3Å; Q95-A98 PolarHBondContact O-N 2.95Å; Q95-A98 VanDerWaalsContact O-N 3.17Å; Q95-L99 HydrophobicContact CG-CD1 4.38Å; Q95-L99 WeakPolarHBondContact O-CG 3.38Å; Q95-L99 PolarHBondContact O-N 3.31Å; Q95-F117 HydrophobicContact CG-CZ 3.97Å
96E94.7Very high94.8Very high89 Ų8944.2 Ų44.242%0.41622%0.224SC..Hα-helixtrans-62.6-42.6177.1-173.2-172.8-174.300111.5F91 T93 A98 L99 A100F91-E96 HydrophobicContact CB-CB 4.2Å; F91-E96 HydrophobicContact CB-CG 4.23Å; F91-E96 HydrophobicContact CD1-CB 4.36Å; F91-E96 VanDerWaalsContact CD1-CD 3.49Å; F91-E96 HydrophobicContact CD1-CG 3.56Å; F91-E96 HydrophobicContact CE1-CG 4.27Å; F91-E96 HydrophobicContact CG-CB 4.48Å; F91-E96 HydrophobicContact CG-CG 4.14Å; T93-E96 WeakPolarHBondContact OG1-CB 3.34Å; T93-E96 PolarHBondContact OG1-N 3.36Å; T93-E96 VanDerWaalsContact OG1-N 3.09Å; E96-A98 VanDerWaalsContact C-N 3.31Å; E96-A98 PolarHBondContact O-N 2.89Å; E96-L99 PolarHBondContact O-N 3.27Å; E96-A100 PolarHBondContact O-N 3.48Å
97A96Very high94.6Very high0 Ų048.2 Ų48.20%026%0.255CS..Hα-helixtrans-59.5-41.2172.800000112.4V65 A75 F91 T93 Q95 A100 Y101V65-A97 HydrophobicContact CB-CB 4.38Å; V65-A97 HydrophobicContact CG1-CB 3.8Å; V65-A97 HydrophobicContact CG2-CB 3.66Å; A75-A97 HydrophobicContact CB-CB 4.24Å; A75-A97 WeakPolarHBondContact CB-O 3.44Å; F91-A97 HydrophobicContact CB-CB 4.02Å; F91-A97 HydrophobicContact CD2-CB 3.5Å; F91-A97 HydrophobicContact CE2-CB 4.32Å; F91-A97 HydrophobicContact CG-CB 4.02Å; T93-A97 PolarHBondContact O-N 3.49Å; Q95-A97 VanDerWaalsContact C-N 3.34Å; Q95-A97 PolarHBondContact O-N 2.98Å; A97-A100 PolarHBondContact O-N 3.27Å; A97-Y101 PolarHBondContact O-N 2.98Å
98A95.7Very high94.4Very high0 Ų047 Ų470%025%0.254CS..Hα-helixtrans-66.1-40.6177.600000111.9F62 V65 A94 Q95 E96 A100 Y101 D102 N116 F117F62-A98 HydrophobicContact CB-CB 3.58Å; F62-A98 HydrophobicContact CD1-CB 3.77Å; F62-A98 HydrophobicContact CD2-CB 4.05Å; F62-A98 HydrophobicContact CE1-CB 4.46Å; F62-A98 HydrophobicContact CG-CB 3.53Å; V65-A98 HydrophobicContact CG2-CB 4.06Å; A94-A98 WeakPolarHBondContact O-CB 3.41Å; A94-A98 PolarHBondContact O-N 3.42Å; Q95-A98 WeakPolarHBondContact O-CB 3.3Å; Q95-A98 PolarHBondContact O-N 2.95Å; Q95-A98 VanDerWaalsContact O-N 3.17Å; E96-A98 VanDerWaalsContact C-N 3.31Å; E96-A98 PolarHBondContact O-N 2.89Å; A98-A100 VanDerWaalsContact C-N 3.33Å; A98-A100 PolarHBondContact O-N 2.85Å; A98-Y101 WeakPolarHBondContact O-CB 3.16Å; A98-Y101 PolarHBondContact O-N 3.3Å; A98-D102 PolarHBondContact O-N 3.48Å; A98-N116 HydrophobicContact CB-CB 4.14Å; A98-F117 HydrophobicContact CB-CE2 3.75Å; A98-F117 HydrophobicContact CB-CZ 4Å
99L95.3Very high94.1Very high49 Ų4951.3 Ų51.326%0.25727%0.271SS..Hα-helixtrans-63.2-40.1174.8-72.5170.5000111.5Q95 E96 Y101 D102 R103 F117Q95-L99 HydrophobicContact CG-CD1 4.38Å; Q95-L99 WeakPolarHBondContact O-CG 3.38Å; Q95-L99 PolarHBondContact O-N 3.31Å; E96-L99 PolarHBondContact O-N 3.27Å; L99-Y101 VanDerWaalsContact C-N 3.34Å; L99-D102 PolarHBondContact O-N 3Å; L99-R103 WeakPolarHBondContact O-CG 3.21Å; L99-R103 PolarHBondContact O-N 3.08Å; L99-R103 PolarHBondContact O-NH1 3.08Å; L99-F117 HydrophobicContact CD2-CD2 3.54Å; L99-F117 HydrophobicContact CD2-CE2 3.55Å; L99-F117 HydrophobicContact CD2-CG 4.44Å; L99-F117 HydrophobicContact CD2-CZ 4.44Å; L99-F117 HydrophobicContact CG-CD2 4.22Å; L99-F117 HydrophobicContact CG-CE2 3.69Å; L99-F117 HydrophobicContact CG-CZ 4.42Å
100A95.2Very high93.7Very high7 Ų752.4 Ų52.46%0.05828%0.282CS..Hα-helixtrans-62.8-42.217500000112F91 E96 A97 A98 A104F91-A100 HydrophobicContact CE1-CB 4.05Å; F91-A100 HydrophobicContact CE2-CB 3.74Å; F91-A100 HydrophobicContact CZ-CB 3.34Å; E96-A100 PolarHBondContact O-N 3.48Å; A97-A100 PolarHBondContact O-N 3.27Å; A98-A100 VanDerWaalsContact C-N 3.33Å; A98-A100 PolarHBondContact O-N 2.85Å; A100-A104 PolarHBondContact O-N 3.33Å; A100-A104 VanDerWaalsContact O-N 3.16Å
101Y96.1Very high93.3Very high34 Ų3452.7 Ų52.713%0.13329%0.291CS..Hα-helixtrans-61.1-46.1173.5179.7-90.8000112.2L63 G64 E76 I77 L88 A97 A98 L99 R103 A104 A105L63-Y101 HydrophobicContact CB-CD1 4.17Å; L63-Y101 HydrophobicContact CB-CE1 3.82Å; G64-Y101 VanDerWaalsContact CA-CD2 3.47Å; E76-Y101 WeakPolarHBondContact O-CD2 3.48Å; I77-Y101 HydrophobicContact CB-CD2 4.35Å; I77-Y101 HydrophobicContact CB-CE2 4.21Å; I77-Y101 HydrophobicContact CD1-CE2 4.27Å; I77-Y101 HydrophobicContact CG1-CE2 4.06Å; L88-Y101 HydrophobicContact CD1-CD2 4.36Å; A97-Y101 PolarHBondContact O-N 2.98Å; A98-Y101 WeakPolarHBondContact O-CB 3.16Å; A98-Y101 PolarHBondContact O-N 3.3Å; L99-Y101 VanDerWaalsContact C-N 3.34Å; Y101-R103 PolarHBondContact O-N 3.16Å; Y101-A104 PolarHBondContact O-N 3.42Å; Y101-A105 HydrophobicContact CE1-CB 4.2Å; Y101-A105 WeakPolarHBondContact O-CB 3.37Å; Y101-A105 PolarHBondContact O-N 3.36Å
102D95.1Very high92.9Very high0 Ų058.3 Ų58.30%032%0.317CS..Hα-helixtrans-62.6-44.5-178.9-75.75.5000111.5A98 L99 A104 A105 L106 T115 N116 F117 Y119A98-D102 PolarHBondContact O-N 3.48Å; L99-D102 PolarHBondContact O-N 3Å; D102-A104 PolarHBondContact O-N 3.49Å; D102-A105 PolarHBondContact O-N 2.74Å; D102-L106 WeakPolarHBondContact O-CB 3.37Å; D102-L106 WeakPolarHBondContact O-CG 3.43Å; D102-L106 PolarHBondContact O-N 3.33Å; D102-T115 HydrophobicContact CB-CG2 4.03Å; D102-T115 VanDerWaalsContact CG-CB 3.48Å; D102-T115 VanDerWaalsContact OD1-CA 3.31Å; D102-T115 WeakPolarHBondContact OD1-CA 3.36Å; D102-T115 WeakPolarHBondContact OD2-CB 3.49Å; D102-N116 PolarHBondContact OD1-N 2.9Å; D102-N116 PolarHBondContact OD1-ND2 3.48Å; D102-N116 WeakPolarHBondContact OD2-CA 3.03Å; D102-N116 WeakPolarHBondContact OD2-CB 3.2Å; D102-N116 PolarHBondContact OD2-N 3.26Å; D102-F117 WeakPolarHBondContact OD2-CD2 3.17Å; D102-F117 PolarHBondContact OD2-N 3.06Å; D102-Y119 HydrophobicContact CB-CE2 3.77Å; D102-Y119 WeakPolarHBondContact CB-OH 3.2Å; D102-Y119 WeakPolarHBondContact OD2-CE2 3.11Å; D102-Y119 PolarHBondContact OD2-OH 3.02Å; D102-Y119 VanDerWaalsContact OD2-OH 3.1Å
103R93.6Very high92.7Very high105 Ų10553.8 Ų53.840%0.39630%0.295SS..Hα-helixtrans-56.2-49.2174.1-71.4-169.3-54-85.97.3111.7L99 Y101 A105 L106 S107L99-R103 WeakPolarHBondContact O-CG 3.21Å; L99-R103 PolarHBondContact O-N 3.08Å; L99-R103 PolarHBondContact O-NH1 3.08Å; Y101-R103 PolarHBondContact O-N 3.16Å; R103-A105 PolarHBondContact O-N 3.24Å; R103-L106 PolarHBondContact O-N 3.41Å; R103-S107 PolarHBondContact O-N 2.91Å; R103-S107 PolarHBondContact O-OG 2.78Å; R103-S107 VanDerWaalsContact O-OG 3.09Å
104A93.9Very high92.5Very high18 Ų1859 Ų5915%0.14931%0.307CS..Hα-helixtrans-64.1-41.4179.200000112.3I77 L88 A100 Y101 D102 L106 S107 M108I77-A104 HydrophobicContact CD1-CB 3.92Å; I77-A104 HydrophobicContact CG2-CB 4.23Å; L88-A104 HydrophobicContact CD1-CB 3.78Å; L88-A104 HydrophobicContact CD2-CB 3.6Å; L88-A104 HydrophobicContact CG-CB 4.35Å; A100-A104 PolarHBondContact O-N 3.33Å; A100-A104 VanDerWaalsContact O-N 3.16Å; Y101-A104 PolarHBondContact O-N 3.42Å; D102-A104 PolarHBondContact O-N 3.49Å; A104-L106 VanDerWaalsContact C-N 3.32Å; A104-L106 PolarHBondContact O-N 3.02Å; A104-S107 PolarHBondContact O-N 2.91Å; A104-M108 WeakPolarHBondContact O-CG 3.48Å; A104-M108 PolarHBondContact O-N 2.94Å
105A93.5Very high92.4Very high7 Ų759.4 Ų59.46%0.05831%0.308CS..Hα-helixtrans-63.6-40.4178.600000111.8I77 Y101 D102 R103 M108 K109 A113I77-A105 VanDerWaalsContact CD1-CA 3.45Å; I77-A105 HydrophobicContact CD1-CB 3.82Å; Y101-A105 HydrophobicContact CE1-CB 4.2Å; Y101-A105 WeakPolarHBondContact O-CB 3.37Å; Y101-A105 PolarHBondContact O-N 3.36Å; D102-A105 PolarHBondContact O-N 2.74Å; R103-A105 PolarHBondContact O-N 3.24Å; A105-M108 PolarHBondContact O-N 3.21Å; A105-K109 PolarHBondContact O-N 2.84Å; A105-A113 VanDerWaalsContact C-CB 3.44Å; A105-A113 HydrophobicContact CB-CB 4Å; A105-A113 WeakPolarHBondContact O-CB 3.46Å
106L92.1Very high92.3Very high23 Ų2354.6 Ų54.612%0.1229%0.286CS..Hα-helixtrans-64.7-43.1174-69.8175.2000111.9D102 R103 A104 M108 G110 A113 T115 Y119 Y124D102-L106 WeakPolarHBondContact O-CB 3.37Å; D102-L106 WeakPolarHBondContact O-CG 3.43Å; D102-L106 PolarHBondContact O-N 3.33Å; R103-L106 PolarHBondContact O-N 3.41Å; A104-L106 VanDerWaalsContact C-N 3.32Å; A104-L106 PolarHBondContact O-N 3.02Å; L106-M108 VanDerWaalsContact C-N 3.27Å; L106-M108 PolarHBondContact O-N 3.1Å; L106-G110 WeakPolarHBondContact CD2-O 3.38Å; L106-G110 WeakPolarHBondContact O-CA 3.39Å; L106-G110 PolarHBondContact O-N 3.08Å; L106-A113 HydrophobicContact CD2-CB 3.86Å; L106-A113 HydrophobicContact CG-CB 4.43Å; L106-T115 HydrophobicContact CD1-CG2 4.45Å; L106-T115 HydrophobicContact CD2-CG2 3.98Å; L106-T115 HydrophobicContact CG-CG2 3.99Å; L106-Y119 HydrophobicContact CD1-CD2 3.97Å; L106-Y119 HydrophobicContact CD1-CE2 4.05Å; L106-Y119 HydrophobicContact CD1-CG 4.42Å; L106-Y124 HydrophobicContact CD1-CD1 4.12Å; L106-Y124 HydrophobicContact CD1-CE1 4.3Å; L106-Y124 HydrophobicContact CD2-CD1 3.59Å; L106-Y124 HydrophobicContact CD2-CE1 3.25Å; L106-Y124 HydrophobicContact CG-CD1 4.41Å; L106-Y124 HydrophobicContact CG-CE1 4.4Å
107S90Very high92.2Very high108 Ų10853.2 Ų53.276%0.75528%0.278SS*.Hα-helixtrans-62.7-33.1175.2-590000112.9R103 A104R103-S107 PolarHBondContact O-N 2.91Å; R103-S107 PolarHBondContact O-OG 2.78Å; R103-S107 VanDerWaalsContact O-OG 3.09Å; A104-S107 PolarHBondContact O-N 2.91Å
108M88.2Confident91.8Very high81 Ų8160 Ų6040%0.39932%0.319SS..Hα-helixtrans-85-39.9-178-71.8170.146.400114.6I77 D79 A104 A105 L106I77-M108 HydrophobicContact CB-SD 4.33Å; I77-M108 HydrophobicContact CD1-CE 3.99Å; I77-M108 HydrophobicContact CD1-SD 3.29Å; I77-M108 WeakPolarHBondContact CD1-SD 3.1Å; I77-M108 HydrophobicContact CG1-CE 3.93Å; I77-M108 HydrophobicContact CG1-SD 3.57Å; I77-M108 VanDerWaalsContact CG1-SD 3.57Å; I77-M108 HydrophobicContact CG2-SD 3.82Å; D79-M108 HydrophobicContact CB-CE 4.29Å; D79-M108 VanDerWaalsContact CG-CE 3.47Å; D79-M108 WeakPolarHBondContact OD1-CE 3.42Å; D79-M108 VanDerWaalsContact OD1-SD 3.4Å; A104-M108 WeakPolarHBondContact O-CG 3.48Å; A104-M108 PolarHBondContact O-N 2.94Å; A105-M108 PolarHBondContact O-N 3.21Å; L106-M108 VanDerWaalsContact C-N 3.27Å; L106-M108 PolarHBondContact O-N 3.1Å
109K89.5Confident91.3Very high138 Ų13860.7 Ų60.760%0.632%0.322SS*.Hα-helixtrans-113.8-4.5-173.2-168.9168.5179.6-134.50113.3A105 Q112 A113A105-K109 PolarHBondContact O-N 2.84Å; K109-Q112 WeakPolarHBondContact CD-O 3.38Å; K109-Q112 VanDerWaalsContact CE-O 3.3Å; K109-Q112 WeakPolarHBondContact CE-O 3.19Å; K109-Q112 HydrophobicContact CG-CB 4.34Å; K109-Q112 PolarHBondContact NZ-O 2.97Å; K109-A113 HydrophobicContact CB-CB 3.99Å
110G87.6Confident90.6Very high35 Ų3562.9 Ų62.936%0.36134%0.337SS..G310 helixtrans68.7-151.5-175.100000112.5L106 Q112 A113L106-G110 WeakPolarHBondContact CD2-O 3.38Å; L106-G110 WeakPolarHBondContact O-CA 3.39Å; L106-G110 PolarHBondContact O-N 3.08Å; G110-Q112 PolarHBondContact O-N 3.17Å; G110-A113 WeakPolarHBondContact O-CB 3.45Å; G110-A113 PolarHBondContact O-N 3.42Å
111A87.1Confident89.1Confident66 Ų6670 Ų7055%0.54537%0.369SS..G310 helixtrans-60.6-15.5179.900000114.4A113 Y124A111-A113 VanDerWaalsContact C-N 3.31Å; A111-Y124 HydrophobicContact CB-CE1 4.24Å
112Q87.2Confident87.3Confident147 Ų14772.3 Ų72.369%0.68740%0.395SS*.G310 helixtrans-89.67.8178.5-63.3-65.1-42.600113K109 G110K109-Q112 WeakPolarHBondContact CD-O 3.38Å; K109-Q112 VanDerWaalsContact CE-O 3.3Å; K109-Q112 WeakPolarHBondContact CE-O 3.19Å; K109-Q112 HydrophobicContact CG-CB 4.34Å; K109-Q112 PolarHBondContact NZ-O 2.97Å; G110-Q112 PolarHBondContact O-N 3.17Å
113A90.7Very high85.6Confident14 Ų1473.2 Ų73.212%0.11640%0.403CS..  trans-66.7147.4178.400000112.3A105 L106 K109 G110 A111 T115A105-A113 VanDerWaalsContact C-CB 3.44Å; A105-A113 HydrophobicContact CB-CB 4Å; A105-A113 WeakPolarHBondContact O-CB 3.46Å; L106-A113 HydrophobicContact CD2-CB 3.86Å; L106-A113 HydrophobicContact CG-CB 4.43Å; K109-A113 HydrophobicContact CB-CB 3.99Å; G110-A113 WeakPolarHBondContact O-CB 3.45Å; G110-A113 PolarHBondContact O-N 3.42Å; A111-A113 VanDerWaalsContact C-N 3.31Å; A113-T115 HydrophobicContact CB-CG2 4.35Å; A113-T115 PolarHBondContact O-N 3.36Å
114R91.7Very high83.8Confident180 Ų18071.4 Ų71.468%0.67940%0.397SS*.  trans-89.8107.5171.7-169179.271.4-176.85.1109.1L63L63-R114 HydrophobicContact CD2-CG 3.88Å
115T92.7Very high81.9Confident29 Ų2977.8 Ų77.818%0.17843%0.428CS..  trans-105.7168.9-176.354.80000112.5D102 L106 A113 F117 Y119D102-T115 HydrophobicContact CB-CG2 4.03Å; D102-T115 VanDerWaalsContact CG-CB 3.48Å; D102-T115 VanDerWaalsContact OD1-CA 3.31Å; D102-T115 WeakPolarHBondContact OD1-CA 3.36Å; D102-T115 WeakPolarHBondContact OD2-CB 3.49Å; L106-T115 HydrophobicContact CD1-CG2 4.45Å; L106-T115 HydrophobicContact CD2-CG2 3.98Å; L106-T115 HydrophobicContact CG-CG2 3.99Å; A113-T115 HydrophobicContact CB-CG2 4.35Å; A113-T115 PolarHBondContact O-N 3.36Å; T115-F117 PolarHBondContact OG1-O 3.05Å; T115-Y119 HydrophobicContact CG2-CD2 3.93Å; T115-Y119 HydrophobicContact CG2-CE2 3.71Å
116N93.4Very high80Confident17 Ų1783.7 Ų83.79%0.09146%0.459CS..SBendtrans-82.4-37.5171.4-69.1-76.3000111.8F62 L63 A98 D102F62-N116 VanDerWaalsContact CA-OD1 3.28Å; F62-N116 WeakPolarHBondContact CA-OD1 3.45Å; F62-N116 WeakPolarHBondContact CB-OD1 3.4Å; F62-N116 HydrophobicContact CD1-CB 4.03Å; L63-N116 WeakPolarHBondContact CB-OD1 3.31Å; L63-N116 WeakPolarHBondContact CD1-OD1 3.16Å; L63-N116 PolarHBondContact N-OD1 3.29Å; L63-N116 PolarHBondContact O-ND2 2.93Å; A98-N116 HydrophobicContact CB-CB 4.14Å; D102-N116 PolarHBondContact OD1-N 2.9Å; D102-N116 PolarHBondContact OD1-ND2 3.48Å; D102-N116 WeakPolarHBondContact OD2-CA 3.03Å; D102-N116 WeakPolarHBondContact OD2-CB 3.2Å; D102-N116 PolarHBondContact OD2-N 3.26Å
117F91.2Very high78.1Confident60 Ų6087.3 Ų87.326%0.26347%0.472SS..SBendtrans-108.3158.7-178.6-51.6-75.2000112.1F62 Q95 A98 L99 D102 T115 Y119F62-F117 HydrophobicContact CE1-CE1 4.22Å; F62-F117 HydrophobicContact CE1-CZ 4.07Å; Q95-F117 HydrophobicContact CG-CZ 3.97Å; A98-F117 HydrophobicContact CB-CE2 3.75Å; A98-F117 HydrophobicContact CB-CZ 4Å; L99-F117 HydrophobicContact CD2-CD2 3.54Å; L99-F117 HydrophobicContact CD2-CE2 3.55Å; L99-F117 HydrophobicContact CD2-CG 4.44Å; L99-F117 HydrophobicContact CD2-CZ 4.44Å; L99-F117 HydrophobicContact CG-CD2 4.22Å; L99-F117 HydrophobicContact CG-CE2 3.69Å; L99-F117 HydrophobicContact CG-CZ 4.42Å; D102-F117 WeakPolarHBondContact OD2-CD2 3.17Å; D102-F117 PolarHBondContact OD2-N 3.06Å; T115-F117 PolarHBondContact OG1-O 3.05Å; F117-Y119 HydrophobicContact CB-CE1 4.32Å; F117-Y119 HydrophobicContact CB-CE2 4.19Å; F117-Y119 WeakPolarHBondContact O-CD2 3.48Å; F117-Y119 WeakPolarHBondContact O-CE2 3.31Å
118V89Confident76.1Confident142 Ų14285.4 Ų85.486%0.86146%0.457SS*.  trans-84.3120.8175.4-179.20000108.8
119Y84.8Confident74.1Confident15 Ų1587.7 Ų87.76%0.05948%0.478CS..  trans-109.9120.1175.1-58.7-69.2000108.8D102 L106 T115 F117 Y124 Y127D102-Y119 HydrophobicContact CB-CE2 3.77Å; D102-Y119 WeakPolarHBondContact CB-OH 3.2Å; D102-Y119 WeakPolarHBondContact OD2-CE2 3.11Å; D102-Y119 PolarHBondContact OD2-OH 3.02Å; D102-Y119 VanDerWaalsContact OD2-OH 3.1Å; L106-Y119 HydrophobicContact CD1-CD2 3.97Å; L106-Y119 HydrophobicContact CD1-CE2 4.05Å; L106-Y119 HydrophobicContact CD1-CG 4.42Å; T115-Y119 HydrophobicContact CG2-CD2 3.93Å; T115-Y119 HydrophobicContact CG2-CE2 3.71Å; F117-Y119 HydrophobicContact CB-CE1 4.32Å; F117-Y119 HydrophobicContact CB-CE2 4.19Å; F117-Y119 WeakPolarHBondContact O-CD2 3.48Å; F117-Y119 WeakPolarHBondContact O-CE2 3.31Å; Y119-Y124 WeakPolarHBondContact O-CE2 3.5Å; Y119-Y124 PolarHBondContact O-OH 3.49Å; Y119-Y127 HydrophobicContact CD1-CD2 4.46Å; Y119-Y127 AromaticContact CD1-CE2 3.35Å; Y119-Y127 HydrophobicContact CD1-CE2 3.35Å; Y119-Y127 AromaticContact CD1-CZ 3.64Å; Y119-Y127 VanDerWaalsContact CD1-OH 3.31Å; Y119-Y127 WeakPolarHBondContact CD1-OH 3.18Å; Y119-Y127 HydrophobicContact CE1-CD2 4.43Å; Y119-Y127 HydrophobicContact CE1-CE1 4.32Å; Y119-Y127 AromaticContact CE1-CE2 3.44Å; Y119-Y127 HydrophobicContact CE1-CE2 3.44Å; Y119-Y127 VanDerWaalsContact CE1-CE2 3.44Å; Y119-Y127 AromaticContact CE1-CZ 3.39Å; Y119-Y127 WeakPolarHBondContact CE1-OH 3.4Å; Y119-Y127 HydrophobicContact CG-CE2 4.37Å
120T80Confident71.6Confident94 Ų9489.1 Ų89.158%0.57748%0.484SS*.  trans-73.7151.7168.558.90000108.6A122 A123 Y124T120-A122 PolarHBondContact O-N 3.26Å; T120-A123 WeakPolarHBondContact O-CB 3.32Å; T120-A123 PolarHBondContact O-N 2.78Å; T120-Y124 WeakPolarHBondContact O-CD2 3.49Å; T120-Y124 VanDerWaalsContact O-CE2 3.32Å; T120-Y124 WeakPolarHBondContact O-CE2 3.39Å
121H63.4Low69.6Low156 Ų15695.3 Ų95.372%0.72251%0.508SS*.Hα-helixtrans-50-33.5-176.5-169.1-2.6000112.9A123 Y124H121-A123 VanDerWaalsContact C-N 3.33Å; H121-A123 PolarHBondContact O-N 3.27Å; H121-Y124 VanDerWaalsContact CA-CD2 3.48Å
122A58.9Low67.6Low83 Ų8398.2 Ų98.269%0.68652%0.519SS*.Hα-helixtrans-66.3-27.1175.700000114.6T120T120-A122 PolarHBondContact O-N 3.26Å
123A58.8Low65.5Low20 Ų2097 Ų9717%0.16552%0.523CS..Hα-helixtrans-81.3-25.1-178.200000113.1T120 H121 N125 N126 Y127T120-A123 WeakPolarHBondContact O-CB 3.32Å; T120-A123 PolarHBondContact O-N 2.78Å; H121-A123 VanDerWaalsContact C-N 3.33Å; H121-A123 PolarHBondContact O-N 3.27Å; A123-N125 PolarHBondContact O-N 2.98Å; A123-N126 PolarHBondContact O-N 3.27Å; A123-N126 VanDerWaalsContact O-N 3.08Å; A123-Y127 HydrophobicContact CB-CE2 3.94Å; A123-Y127 WeakPolarHBondContact O-CD2 3.38Å; A123-Y127 WeakPolarHBondContact O-CE2 3.18Å
124Y56.9Low63.4Low67 Ų67100.9 Ų100.926%0.26354%0.538SS..Hα-helixtrans-60.7-32.7-178.7-67-99.3000112.5L106 A111 Y119 T120 H121L106-Y124 HydrophobicContact CD1-CD1 4.12Å; L106-Y124 HydrophobicContact CD1-CE1 4.3Å; L106-Y124 HydrophobicContact CD2-CD1 3.59Å; L106-Y124 HydrophobicContact CD2-CE1 3.25Å; L106-Y124 HydrophobicContact CG-CD1 4.41Å; L106-Y124 HydrophobicContact CG-CE1 4.4Å; A111-Y124 HydrophobicContact CB-CE1 4.24Å; Y119-Y124 WeakPolarHBondContact O-CE2 3.5Å; Y119-Y124 PolarHBondContact O-OH 3.49Å; T120-Y124 WeakPolarHBondContact O-CD2 3.49Å; T120-Y124 VanDerWaalsContact O-CE2 3.32Å; T120-Y124 WeakPolarHBondContact O-CE2 3.39Å; H121-Y124 VanDerWaalsContact CA-CD2 3.48Å
125N54.2Low61.6Low151 Ų151100.1 Ų100.181%0.80754%0.542SS*.THydrogen-bonded Turntrans-87.4-10.4179.5-73.91.2000113.6A123A123-N125 PolarHBondContact O-N 2.98Å
126N53.2Low59.5Low132 Ų132107.4 Ų107.471%0.70657%0.574SS**SBendtrans-111.515.9-173.4-152.424.4000113.8A123 P128A123-N126 PolarHBondContact O-N 3.27Å; A123-N126 VanDerWaalsContact O-N 3.08Å; N126-P128 WeakPolarHBondContact O-CD 3.48Å
127Y51.7Low57.3Low98 Ų98111.4 Ų111.438%0.38459%0.592SS.*SBendtrans-92.597161.3-67.5-70.3000107.7Y119 A123Y119-Y127 HydrophobicContact CD1-CD2 4.46Å; Y119-Y127 AromaticContact CD1-CE2 3.35Å; Y119-Y127 HydrophobicContact CD1-CE2 3.35Å; Y119-Y127 AromaticContact CD1-CZ 3.64Å; Y119-Y127 VanDerWaalsContact CD1-OH 3.31Å; Y119-Y127 WeakPolarHBondContact CD1-OH 3.18Å; Y119-Y127 HydrophobicContact CE1-CD2 4.43Å; Y119-Y127 HydrophobicContact CE1-CE1 4.32Å; Y119-Y127 AromaticContact CE1-CE2 3.44Å; Y119-Y127 HydrophobicContact CE1-CE2 3.44Å; Y119-Y127 VanDerWaalsContact CE1-CE2 3.44Å; Y119-Y127 AromaticContact CE1-CZ 3.39Å; Y119-Y127 WeakPolarHBondContact CE1-OH 3.4Å; Y119-Y127 HydrophobicContact CG-CE2 4.37Å; A123-Y127 HydrophobicContact CB-CE2 3.94Å; A123-Y127 WeakPolarHBondContact O-CD2 3.38Å; A123-Y127 WeakPolarHBondContact O-CE2 3.18Å
128P47.9Very low55.4Low69 Ų69115.7 Ų115.745%0.44861%0.613SS.*  trans-63.5136.2-174.528.1-36.2000109.7N126 F130N126-P128 WeakPolarHBondContact O-CD 3.48Å; P128-F130 HydrophobicContact CB-CD2 3.38Å; P128-F130 HydrophobicContact CB-CE2 3.23Å; P128-F130 HydrophobicContact CB-CG 4.31Å; P128-F130 HydrophobicContact CB-CZ 4.05Å; P128-F130 HydrophobicContact CG-CD2 3.57Å; P128-F130 HydrophobicContact CG-CE2 3.67Å; P128-F130 PolarHBondContact O-N 2.88Å
129P46Very low53.4Low129 Ų129118 Ų11884%0.83862%0.615SS**  trans-75.764.9175.734.1-35.2000109
130F38Very low51.5Low168 Ų168124.3 Ų124.374%0.73764%0.644SS**  trans-94.4118.7166.1-58.8-57.7000107P128P128-F130 HydrophobicContact CB-CD2 3.38Å; P128-F130 HydrophobicContact CB-CE2 3.23Å; P128-F130 HydrophobicContact CB-CG 4.31Å; P128-F130 HydrophobicContact CB-CZ 4.05Å; P128-F130 HydrophobicContact CG-CD2 3.57Å; P128-F130 HydrophobicContact CG-CE2 3.67Å; P128-F130 PolarHBondContact O-N 2.88Å
131L44.8Very low49.5Very low165 Ų165129.3 Ų129.386%0.86465%0.654SS**SBendtrans103.676.6178.3-52.3168.3000114.8
132V45.9Very low48.3Very low126 Ų126125.4 Ų125.476%0.76466%0.656SS**  trans59.3119.9150.6-71.30000120F134V132-F134 PolarHBondContact O-N 2.95Å
133P42Very low47.5Very low121 Ų121125.8 Ų125.879%0.78666%0.659SS**  trans-56.1120.3156.3-21.132.8000110H135P133-H135 PolarHBondContact O-N 3.1Å
134F47.3Very low46.7Very low96 Ų96128.5 Ų128.542%0.42168%0.682SS.*SBendtrans-69.220.6-176.7-176.4-103.9000114.3H86 W87 V132H86-F134 HydrophobicContact CB-CD1 3.67Å; H86-F134 HydrophobicContact CB-CE1 3.49Å; H86-F134 VanDerWaalsContact CB-CE1 3.49Å; H86-F134 HydrophobicContact CB-CZ 4.42Å; H86-F134 AromaticContact CG-CD1 3.87Å; H86-F134 AromaticContact CG-CE1 3.78Å; H86-F134 AromaticContact ND1-CD1 3.43Å; H86-F134 WeakPolarHBondContact ND1-CD1 3.37Å; H86-F134 AromaticContact ND1-CE1 3.31Å; H86-F134 VanDerWaalsContact ND1-CE1 3.31Å; H86-F134 WeakPolarHBondContact ND1-CE1 3.33Å; W87-F134 HydrophobicContact CB-CZ 4.33Å; W87-F134 WeakPolarHBondContact O-CE2 3.28Å; V132-F134 PolarHBondContact O-N 2.95Å
135H53.5Low46.1Very low164 Ų164131.3 Ų131.376%0.75971%0.708SS**SBendtrans-110.425.7-174.6-149.671.5000115.2P133P133-H135 PolarHBondContact O-N 3.1Å
136Q49.7Very low45.9Very low182 Ų182132.4 Ų132.485%0.8571%0.709SS**SBendtrans-140.119.9176.9-151.61630.400116.1
137Q47.3Very low45.5Very low101 Ų101134.8 Ų134.847%0.47272%0.715SS.*  trans-1152.9175.8-127.5177.514.600116Q139 Q140 Y141Q137-Q139 PolarHBondContact O-N 2.79Å; Q137-Q139 VanDerWaalsContact O-N 3.14Å; Q137-Q140 PolarHBondContact O-N 3.36Å; Q137-Y141 HydrophobicContact CG-CE2 4.32Å
138Q49.9Very low45.1Very low150 Ų150138 Ų13870%0.70174%0.737SS**THydrogen-bonded Turntrans-73.35.5172.6-80.1-175.79.900114.5E84E84-Q138 PolarHBondContact OE1-NE2 2.85Å
139Q47.8Very low44.8Very low192 Ų192137.9 Ų137.990%0.89775%0.748SS**THydrogen-bonded Turntrans-108.9-0.9171.7-65.7-167.512.900115.1Q137Q137-Q139 PolarHBondContact O-N 2.79Å; Q137-Q139 VanDerWaalsContact O-N 3.14Å
140Q43.7Very low44.7Very low147 Ų147135.9 Ų135.969%0.68774%0.737SS**SBendtrans-1160.4-174.7-75.5-171.1-40.200116.5Q137Q137-Q140 PolarHBondContact O-N 3.36Å
141Y39.3Very low45.3Very low198 Ų198138.3 Ų138.378%0.77674%0.743SS**SBendtrans-109.156.8166.9-62.4-74.3000110.8Q137Q137-Y141 HydrophobicContact CG-CE2 4.32Å
142G38.1Very low45.3Very low75 Ų75133.8 Ų133.877%0.77374%0.736SS**  trans-140.754.517400000109.9
143A41.5Very low45.2Very low90 Ų90137.2 Ų137.274%0.74474%0.744SS**  trans-154.188.517000000109.5
144A42Very low45.2Very low78 Ų78134.3 Ų134.365%0.64574%0.735SS**  trans-61.1139.3152.600000107.7Q146A144-Q146 PolarHBondContact O-N 2.89Å
145P45.3Very low45.1Very low126 Ų126137.7 Ų137.782%0.81875%0.752SS**  trans-66105176.925-30.2000109.1H147P145-H147 PolarHBondContact O-N 2.79Å; P145-H147 VanDerWaalsContact O-N 3.09Å
146Q50.2Low45Very low174 Ų174137.9 Ų137.981%0.81375%0.753SS**  trans-71.1101.2165.3-64.3-65-16.200106.7A144 I148A144-Q146 PolarHBondContact O-N 2.89Å; Q146-I148 PolarHBondContact O-N 3.49Å
147H44.4Very low44.9Very low182 Ų182136.9 Ų136.984%0.84375%0.748SS**  trans-63.4121.4172.3-145-99.2000107.8P145 G149P145-H147 PolarHBondContact O-N 2.79Å; P145-H147 VanDerWaalsContact O-N 3.09Å; H147-G149 PolarHBondContact O-N 3.17Å
148I42.5Very low44.8Very low165 Ų165143.1 Ų143.185%0.84677%0.769SS**  trans-50.6124.2175.1-77.9163.4000109.8Q146Q146-I148 PolarHBondContact O-N 3.49Å
149G40.9Very low44.7Very low66 Ų66142.7 Ų142.768%0.6877%0.772SS**  trans-166.870.4177.900000110.9H147H147-G149 PolarHBondContact O-N 3.17Å
150S44.2Very low44.8Very low87 Ų87140.8 Ų140.861%0.60876%0.763SS**  trans-43.5139150.9-168.70000108
151Y51.3Low45Very low219 Ų219140.5 Ų140.586%0.85976%0.762SS**  -168.3151.876.1-32.2-74.9000109.1
152G45.4Very low45.6Very low70 Ų70137.5 Ų137.572%0.72275%0.754SS**  trans-62.8-169.4-173.400000118
153H44Very low46.2Very low199 Ų199140.5 Ų140.592%0.92175%0.748SS**  cis-174.7160.226.6-118.638.5000108.8
154G41.7Very low46.1Very low59 Ų59144.9 Ų144.961%0.60875%0.754SS**  trans127.4102.615200000117
155H45.3Very low46.2Very low168 Ų168145.2 Ų145.278%0.77877%0.765SS**  76.6130.8102.1-72.2-67.4000114.2
156H49.7Very low46.2Very low167 Ų167144.5 Ų144.577%0.77376%0.763SS**  cis-163.913744.5-71.9-88.9000108.5
157H48.1Very low46.4Very low162 Ų162143.4 Ų143.475%0.7577%0.768SS**  70.5103.377.9-15679.2000117.7
158Y46.4Very low46.5Very low231 Ų231141.7 Ų141.791%0.90677%0.77SS**  trans-169.1149.7133.441.3-102.6000113
159D47Very low46.8Very low142 Ų142137 Ų13776%0.75976%0.763SS**  trans-100.5175.6-159.7-152.3-64.5000113.3
160Q50.5Low46.7Very low152 Ų152143 Ų14371%0.7177%0.774SS**  trans125.8103.8138.1-152.4163.385.600119.4
161Q48.2Very low46.5Very low141 Ų141144.7 Ų144.766%0.65978%0.784SS**  trans61.5149.9135-65.9176.337.100120.7
162Q50.8Low46.3Very low134 Ų134140.1 Ų140.163%0.62678%0.784SS**  cis-175.8155-9.4-114.2-172.685.700107.7
163Q50.5Low46.2Very low139 Ų139141.9 Ų141.965%0.6579%0.785SS**  trans80.8108.5151.8-63.7173.658.400120.1
164Q39.9Very low46.3Very low182 Ų182138.2 Ų138.285%0.8578%0.777SS**  89.9119.288.1-75.4-172.894.100114.3
165G43.1Very low47Very low85 Ų85144.1 Ų144.188%0.87679%0.791SS**  trans173.5106.3170.700000113.5
166S45.7Very low47.8Very low111 Ų111141.5 Ų141.578%0.77679%0.789SS**  trans-99.3142.2-174.847.60000113.2
167T55.9Low47.9Very low150 Ų150139.2 Ų139.292%0.9279%0.789SS**  trans-160.5151148.948.30000112.4
168T46.2Very low47.9Very low146 Ų146138.1 Ų138.190%0.89679%0.793SS**  trans-103.3167.8-158.345.40000115.6
169G48.1Very low47.9Very low68 Ų68132.5 Ų132.570%0.70179%0.785SS**  trans143.398.9159.700000111.8
170E38.9Very low48.3Very low192 Ų192132.2 Ų132.290%0.89779%0.788SS**  69.9100.463.4-61.2-166.1132.200116.2
171C39.8Very low48.3Very low122 Ų122133.8 Ų133.882%0.82480%0.795SS**  trans-179.1113133.257.80000110
172S47Very low48.2Very low123 Ų123138 Ų13886%0.8681%0.805SS**  52.1134.695-73.80000114.4
173S43.8Very low48.4Very low106 Ų106136 Ų13674%0.74181%0.811SS**  cis-177.61593.51710000106.2
174T46.2Very low48.3Very low122 Ų122136.6 Ų136.675%0.74882%0.819SS**  trans128.6111.4143.2-49.90000115
175M55.8Low48.8Very low183 Ų183132 Ų13290%0.90182%0.821SS**  trans-118.2154.8155.1-75.2-148.1150.500109.1
176P62Low49.4Very low113 Ų113133.1 Ų133.173%0.73481%0.811SS**  trans-133.8175151.143.8-30.1000111
177P52Low49.5Very low120 Ų120136.3 Ų136.378%0.77982%0.818SS**  -120.5168-96.324.2-1.4000114
178V48.2Very low49Very low138 Ų138135.7 Ų135.784%0.83681%0.808SS**  trans-118.6172.8153.9-66.70000107
179P45.7Very low49.2Very low113 Ų113135.3 Ų135.373%0.73480%0.8SS**  cis-130.6172.9-22.835.6-19.1000111.8
180V55.4Low48.9Very low136 Ų136139.2 Ų139.282%0.82481%0.805SS**  trans-152114.3147-173.80000110.3
181E51.7Low49.2Very low185 Ų185141.3 Ų141.386%0.86480%0.804SS**  trans-76.1131.5164-164-163.4151.900108.7
182R44.6Very low49.2Very low231 Ų231139.1 Ų139.187%0.87280%0.803SS**  trans-104.4122.6170.7-91.4-169168.7120.2-1.9110D184R182-D184 PolarHBondContact O-N 2.77Å
183A56Low48.9Very low91 Ų91137.4 Ų137.475%0.75280%0.804SS**  trans-70101.9161.800000108.8
184D49.2Very low48.8Very low152 Ų152135.4 Ų135.481%0.81380%0.8SS**  trans-171.794.5150.7-92.2-26.2000107.8R182 T186R182-D184 PolarHBondContact O-N 2.77Å; D184-T186 PolarHBondContact O-N 2.97Å
185G48.6Very low48.7Very low86 Ų86139.2 Ų139.289%0.88781%0.809SS**  trans-73.675.5-171.900000114.6
186T56.8Low48Very low108 Ų108138.7 Ų138.766%0.66380%0.804SS**  trans-148.9108.81772.20000113.6D184D184-T186 PolarHBondContact O-N 2.97Å
187L47.7Very low47.1Very low177 Ų177142.7 Ų142.793%0.92781%0.813SS**  trans-15797.3144.3-75.1-174.2000104.6
188L46.2Very low46.5Very low137 Ų137144.8 Ų144.872%0.71781%0.812SS**  cis78.698.548.1-157.2100.4000114.5
189L49.1Very low46.2Very low139 Ų139147 Ų14773%0.72881%0.813SS**  trans70.1118.5155.6-61.6147.5000116.8
190D42.4Very low46Very low149 Ų149148.2 Ų148.280%0.79781%0.808SS**  cis63.3137.236.1-160.241.9000117.6
191R46.1Very low45.5Very low236 Ų236149 Ų14989%0.89180%0.803SS**  trans100.2121-173.3-67.4-178.8167.6-176.7-2.8114.6
192G39.7Very low45Very low77 Ų77147.9 Ų147.979%0.79480%0.797SS**  cis163.2158.82.700000111.3
193G39.6Very low44.7Very low86 Ų86147.8 Ų147.889%0.88780%0.797SS**  trans95116.116500000114.9
194G41.4Very low44.2Very low64 Ų64150.1 Ų150.166%0.6679%0.792SS**  cis110.3108.317.300000109.9
195H45Very low44.1Very low202 Ų202149.1 Ų149.194%0.93579%0.786SS**  trans-173.3119.6139.8-83.6-39.4000111.4
196H40.6Very low43.8Very low172 Ų172151.2 Ų151.280%0.79678%0.776SS**  trans-76.8151.8175.9-62.3-80.9000112
197H43.1Very low42.7Very low198 Ų198155.5 Ų155.592%0.91779%0.786SS**  trans-150.5121.6135.4-97.876.9000109.6
198H38.8Very low42.1Very low163 Ų163151.5 Ų151.576%0.75578%0.779SS**  trans-79.8137.8172.5-93.9-10.5000110.7
199H42.1Very low41.9Very low186 Ų186151.3 Ų151.386%0.86178%0.783SS**  trans-155.889.5142.2-108.7-52000111.5
200H40.9Very low41.5Very low138 Ų138149.1 Ų149.164%0.63979%0.786SS**  18.3108120.9-100.1-77.9000118.2
201H45.1Very low41.8Very low153 Ų153149.8 Ų149.871%0.70879%0.789SS**  155.2138.8106.1-90.9-71000113.9
202H42.3Very low41.8Very low160 Ų160145 Ų14574%0.74178%0.781SS**  trans75.291.6154.6-89.4-81.7000120.3
203R38.1Very low42.2Very low229 Ų229146.9 Ų146.986%0.86478%0.782SS**  trans-54.1130.1132.7-73177.1121.2156.80.1108.1
204E45.7Very low42.9Very low141 Ų141146.6 Ų146.666%0.65977%0.767SS**  trans-178.5113.7141.8-85.4-43.6107.800107.7
205L46.7Very low43.6Very low130 Ų130145.8 Ų145.868%0.68176%0.758SS**  trans61.5115.2136.9-49.9178.9000121.8
206L42.8Very low44.3Very low131 Ų131145.2 Ų145.269%0.68675%0.749SS**  55.9107.2119.7-61.4168.9000118.8
207F34.3Very low45.2Very low197 Ų197142 Ų14286%0.86474%0.737SS**  trans57.288.8147.9-56.1-71.7000118.4
208A34Very low46Very low94 Ų94135.3 Ų135.378%0.77771%0.713SS**  trans174.3134.1151.300000105.5
209T42.9Very low47.1Very low132 Ų132132 Ų13281%0.8171%0.708SS**  cis-152.5157.828.944.10000109.1
210A39.9Very low48.5Very low94 Ų94127.9 Ų127.978%0.77770%0.696SS**SBendtrans-56.6157.2169.600000112
211D47.8Very low49.6Very low162 Ų162123.1 Ų123.187%0.86668%0.676SS**SBendtrans97.319.8169.2-96.6-42.8000121.5
212D47.6Very low50.9Low136 Ų136119.7 Ų119.773%0.72767%0.667SS**  trans-146.679.1169.2-124.5-34.5000114.6S214D212-S214 PolarHBondContact O-N 3.17Å; D212-S214 PolarHBondContact OD1-OG 3.16Å
213S47.9Very low51.8Low117 Ų117117 Ų11782%0.81866%0.655SS**  trans-84.89.7175.9-49.10000113.4
214S55Low52.8Low80 Ų80110.6 Ų110.656%0.55965%0.646SS**  trans-87.9-11-169.569.30000114.7D212 S218D212-S214 PolarHBondContact O-N 3.17Å; D212-S214 PolarHBondContact OD1-OG 3.16Å; S214-S218 PolarHBondContact O-OG 3.07Å
215G55.1Low53.6Low47 Ų47108.1 Ų108.149%0.48564%0.643SS.*Hα-helixtrans-86-21.7-172.700000116.5S218G215-S218 PolarHBondContact O-OG 3.3Å
216Y58.8Low54.4Low189 Ų189105.4 Ų105.474%0.74163%0.629SS**Hα-helixtrans-83.1-36.5-174.9-157.9-96.9000112.2S219 V220Y216-S219 PolarHBondContact O-OG 3.08Å; Y216-V220 HydrophobicContact CD1-CG2 4.44Å; Y216-V220 HydrophobicContact CE1-CG2 4.22Å; Y216-V220 WeakPolarHBondContact O-CG2 3.14Å
217L60Low55.3Low105 Ų105107 Ų10755%0.5563%0.626SS.*Hα-helixtrans-69.3-37.7178.7-97.9158000112.7S219 V220 V221 L226L217-S219 VanDerWaalsContact C-N 3.29Å; L217-S219 PolarHBondContact O-N 2.88Å; L217-V220 PolarHBondContact O-N 3.06Å; L217-V221 HydrophobicContact CD2-CG2 3.8Å; L217-V221 VanDerWaalsContact O-CB 3.22Å; L217-V221 WeakPolarHBondContact O-CB 3.48Å; L217-V221 PolarHBondContact O-N 3.04Å; L217-L226 HydrophobicContact CD2-CD2 4.49Å
218S59.6Low56.1Low58 Ų58103.7 Ų103.741%0.40662%0.624SS.*Hα-helixtrans-71-19.3-179.846.90000114.5S214 G215S214-S218 PolarHBondContact O-OG 3.07Å; G215-S218 PolarHBondContact O-OG 3.3Å
219S63.2Low56.7Low93 Ų93106.3 Ų106.365%0.6561%0.614SS**Hα-helixtrans-90.3-19.2176.366.80000114.1Y216 L217Y216-S219 PolarHBondContact O-OG 3.08Å; L217-S219 VanDerWaalsContact C-N 3.29Å; L217-S219 PolarHBondContact O-N 2.88Å
220V71.3Confident57.1Low99 Ų99104.2 Ų104.260%0.660%0.604SS**Hα-helixtrans-107-27.9-177.2-178.90000111.6Y216 L217Y216-V220 HydrophobicContact CD1-CG2 4.44Å; Y216-V220 HydrophobicContact CE1-CG2 4.22Å; Y216-V220 WeakPolarHBondContact O-CG2 3.14Å; L217-V220 PolarHBondContact O-N 3.06Å
221V63.6Low57.8Low39 Ų39104.9 Ų104.924%0.23660%0.603CS.*SBendtrans-112.9117.8-178.1-179.40000107.8L217 C225 L226L217-V221 HydrophobicContact CD2-CG2 3.8Å; L217-V221 VanDerWaalsContact O-CB 3.22Å; L217-V221 WeakPolarHBondContact O-CB 3.48Å; L217-V221 PolarHBondContact O-N 3.04Å; V221-C225 HydrophobicContact CG1-CB 3.25Å; V221-L226 HydrophobicContact CB-CD2 4.13Å; V221-L226 HydrophobicContact CB-CG 4.25Å; V221-L226 HydrophobicContact CG1-CD2 3.78Å; V221-L226 HydrophobicContact CG1-CG 3.84Å
222P73.2Confident58Low80 Ų80100.6 Ų100.652%0.51959%0.591SS.*  trans-52.4144174.2-24.332.8000110.6S224 C225P222-S224 WeakPolarHBondContact CB-OG 3.41Å; P222-S224 PolarHBondContact O-N 2.91Å; P222-C225 WeakPolarHBondContact O-CB 3.26Å; P222-C225 PolarHBondContact O-N 3.09Å
223E59.7Low58.2Low103 Ų10395.4 Ų95.448%0.48157%0.566SS.*Hα-helixtrans-55.4-22.8-178.9-158.169.8-169.900112.8C225 L226 R227E223-C225 PolarHBondContact O-N 2.96Å; E223-L226 PolarHBondContact O-N 3.4Å; E223-R227 PolarHBondContact O-N 2.69Å; E223-R227 IonicContact OE1-CZ 3.66Å; E223-R227 IonicContact OE1-NH1 3.78Å; E223-R227 PolarHBondContact OE1-NH1 2.85Å
224S59.7Low58.5Low96 Ų9692.6 Ų92.667%0.67155%0.551SS**Hα-helixtrans-64.6-18172.557.20000114.7P222P222-S224 WeakPolarHBondContact CB-OG 3.41Å; P222-S224 PolarHBondContact O-N 2.91Å
225C62.2Low58.5Low89 Ų8992.8 Ų92.860%0.60155%0.548SS*.Hα-helixtrans-102.9-14.5179.7-63.20000112.2V221 P222 E223V221-C225 HydrophobicContact CG1-CB 3.25Å; P222-C225 WeakPolarHBondContact O-CB 3.26Å; P222-C225 PolarHBondContact O-N 3.09Å; E223-C225 PolarHBondContact O-N 2.96Å
226L63.9Low58.6Low72 Ų7294.8 Ų94.838%0.37755%0.545SS..Hα-helixtrans-94.2-16.8177.1-62.6177.7000113L217 V221 E223L217-L226 HydrophobicContact CD2-CD2 4.49Å; V221-L226 HydrophobicContact CB-CD2 4.13Å; V221-L226 HydrophobicContact CB-CG 4.25Å; V221-L226 HydrophobicContact CG1-CD2 3.78Å; V221-L226 HydrophobicContact CG1-CG 3.84Å; E223-L226 PolarHBondContact O-N 3.4Å
227R61Low58.2Low164 Ų16489.1 Ų89.162%0.61953%0.528SS*.SBendtrans-117.8108171-72.3-169170.691.93.3110E223 R229E223-R227 PolarHBondContact O-N 2.69Å; E223-R227 IonicContact OE1-CZ 3.66Å; E223-R227 IonicContact OE1-NH1 3.78Å; E223-R227 PolarHBondContact OE1-NH1 2.85Å; R227-R229 PolarHBondContact O-N 2.86Å
228P51.7Low57.8Low128 Ų12890.7 Ų90.783%0.83154%0.536SS*.  trans-58.4114.516923.5-30000107.8S230P228-S230 PolarHBondContact O-N 3.33Å; P228-S230 VanDerWaalsContact O-N 3.08Å
229R47.6Very low57.5Low150 Ų15097 Ų9757%0.56655%0.551SS**  trans-51.8118.4177.6-166.2174.7167.3-160.1-5.9107.1R227 S231 A233 D237R227-R229 PolarHBondContact O-N 2.86Å; R229-S231 PolarHBondContact O-N 2.89Å; R229-A233 HydrophobicContact CG-CB 3.99Å; R229-A233 VanDerWaalsContact NE-CB 3.29Å; R229-D237 IonicContact CZ-OD2 3.58Å; R229-D237 IonicContact NH1-OD2 2.75Å; R229-D237 PolarHBondContact NH1-OD2 3.5Å; R229-D237 IonicContact NH2-OD2 3.77Å
230S50.7Low57Low87 Ų87100.7 Ų100.761%0.60855%0.55SS**  trans-40.5131.7-179.352.50000110.3P228 A232 A233P228-S230 PolarHBondContact O-N 3.33Å; P228-S230 VanDerWaalsContact O-N 3.08Å; S230-A232 PolarHBondContact O-N 3.38Å; S230-A233 PolarHBondContact O-N 2.9Å
231S53.4Low55.8Low108 Ų108104.4 Ų104.476%0.75556%0.555SS**THydrogen-bonded Turntrans-41.9-22.3-171.150.40000116.5R229R229-S231 PolarHBondContact O-N 2.89Å
232A52.6Low55.1Low73 Ų73107 Ų10760%0.60358%0.575SS**THydrogen-bonded Turntrans-69.3-24177.200000115.4S230 V235S230-A232 PolarHBondContact O-N 3.38Å; A232-V235 WeakPolarHBondContact O-CG2 3.4Å
233A52.3Low54.1Low26 Ų26108.9 Ų108.922%0.21559%0.585CS.*THydrogen-bonded Turntrans-102.2-8.5-177.200000114.3R229 S230R229-A233 HydrophobicContact CG-CB 3.99Å; R229-A233 VanDerWaalsContact NE-CB 3.29Å; S230-A233 PolarHBondContact O-N 2.9Å
234A53.3Low53.6Low59 Ų59108.3 Ų108.349%0.48859%0.592SS.*Hα-helixtrans-76.7-25.1174.400000112.6L238A234-L238 PolarHBondContact O-N 3.47Å
235V55Low53.1Low84 Ų84109 Ų10951%0.50959%0.588SS.*Hα-helixtrans-76.1-28178.1-70.70000113.1A232A232-V235 WeakPolarHBondContact O-CG2 3.4Å
236E57.6Low52.5Low88 Ų88108.8 Ų108.841%0.41159%0.593SS.*Hα-helixtrans-82.5-27.2179.4-11867.7-158.500113.4R240E236-R240 PolarHBondContact O-NH1 2.98Å
237D50.4Low51.9Low71 Ų71113 Ų11338%0.3862%0.616SS.*Hα-helixtrans-79.5-32.8176.2-100.2-10.6000112.2R229 R239 R240 Y241R229-D237 IonicContact CZ-OD2 3.58Å; R229-D237 IonicContact NH1-OD2 2.75Å; R229-D237 PolarHBondContact NH1-OD2 3.5Å; R229-D237 IonicContact NH2-OD2 3.77Å; D237-R239 PolarHBondContact O-N 2.66Å; D237-R240 PolarHBondContact O-N 3.17Å; D237-R240 VanDerWaalsContact O-N 3.12Å; D237-Y241 PolarHBondContact O-N 3.11Å
238L51.9Low51.6Low138 Ų138109.9 Ų109.972%0.72362%0.619SS**Hα-helixtrans-66.8-24.9174.3-156.569000112.2A234A234-L238 PolarHBondContact O-N 3.47Å
239R53Low51.3Low190 Ų190113.3 Ų113.372%0.71762%0.617SS**Hα-helixtrans-77.2-25.7172.1-88.6-167.3172.1124.9-0.8114.2D237D237-R239 PolarHBondContact O-N 2.66Å
240R52.4Low51Low170 Ų170110.3 Ų110.364%0.64263%0.632SS**Hα-helixtrans-90.9-24.8179.6-70.9-173.1-178.690.3-0.9113E236 D237 S242E236-R240 PolarHBondContact O-NH1 2.98Å; D237-R240 PolarHBondContact O-N 3.17Å; D237-R240 VanDerWaalsContact O-N 3.12Å; R240-S242 VanDerWaalsContact C-N 3.34Å
241Y46.6Very low50.9Low177 Ų177114.3 Ų114.369%0.69464%0.643SS**THydrogen-bonded Turntrans-81.6-6.2177.6-124.5-93.4000114.5D237D237-Y241 PolarHBondContact O-N 3.11Å
242S50Low50.3Low94 Ų94112.7 Ų112.766%0.65764%0.643SS**THydrogen-bonded Turntrans-95.2-0.1-174.3-169.50000115.1R240R240-S242 VanDerWaalsContact C-N 3.34Å
243V50.7Low49.9Very low120 Ų120115.4 Ų115.473%0.72765%0.647SS**SBendtrans-1264.7-170.3-173.90000113.6
244S50.5Low49.6Very low91 Ų91125.4 Ų125.464%0.63668%0.679SS**SBendtrans-131.4-3.3-170.3-53.60000117.3
245D49.3Very low49.8Very low110 Ų110130.3 Ų130.359%0.58869%0.692SS**SBendtrans-116.19.9-179.3-74.2-53.4000114.3D247D245-D247 VanDerWaalsContact C-N 3.34Å; D245-D247 PolarHBondContact O-N 2.88Å
246A47.8Very low50Low85 Ų85130.9 Ų130.970%0.70269%0.692SS**THydrogen-bonded Turntrans-80.3-8.4-17800000114.6
247D52.4Low50.3Low161 Ų161131.6 Ų131.686%0.86170%0.703SS**THydrogen-bonded Turntrans-102.4-3.8-170.7-67.4-34.7000114.8D245D245-D247 VanDerWaalsContact C-N 3.34Å; D245-D247 PolarHBondContact O-N 2.88Å
248S54.5Low50.9Low97 Ų97133.4 Ų133.468%0.67871%0.712SS**SBendtrans-101.9-4.5-173.9-168.40000115.5
249Y45.5Very low51.5Low201 Ų201131.5 Ų131.579%0.78870%0.703SS**SBendtrans-124.196.3173.9-71.9-84.1000109.1M251Y249-M251 PolarHBondContact O-N 2.91Å
250G41.5Very low52.1Low86 Ų86127.5 Ų127.589%0.88770%0.695SS**  trans-64.964.2177.300000114
251M49.2Very low52.6Low171 Ų171122.1 Ų122.184%0.84269%0.687SS**  trans-102.191.6170-70.9-64.1-151.200108.3Y249 L253Y249-M251 PolarHBondContact O-N 2.91Å; M251-L253 PolarHBondContact O-N 3.19Å
252G39Very low53.5Low74 Ų74119.8 Ų119.876%0.76368%0.682SS**  trans-65.9100.1167.400000110.2
253L45.3Very low54.3Low130 Ų130122 Ų12268%0.68168%0.684SS**  trans-140.566.9157-73.8178.9000108M251M251-L253 PolarHBondContact O-N 3.19Å
254R45.3Very low54.8Low237 Ų237120.7 Ų120.789%0.89468%0.676SS**  trans-83104.4154.4-79.5169.584.9153.62.9104.6
255E58.4Low55.2Low161 Ų161119.6 Ų119.675%0.75267%0.673SS**SBendtrans167.7-21.3153.8-89.5152.4-160.600112.1
256D59.4Low55.7Low96 Ų96117.7 Ų117.751%0.51368%0.679SS.*Hα-helixtrans-92.6-8.8-173.1-55.2-30.8000115.3L260D256-L260 WeakPolarHBondContact O-CB 3.32Å; D256-L260 PolarHBondContact O-N 2.88Å
257V63.4Low56.4Low104 Ų104121.8 Ų121.863%0.6368%0.681SS**Hα-helixtrans-77.2-34.4-177.1-1750000111.2A261V257-A261 VanDerWaalsContact O-CB 3.32Å; V257-A261 WeakPolarHBondContact O-CB 3.4Å; V257-A261 PolarHBondContact O-N 2.75Å
258D63.3Low56.7Low109 Ų109124.3 Ų124.358%0.58368%0.678SS**Hα-helixtrans-73.4-34.8177.7-66.1-56.5000111.7A261 Q262D258-A261 PolarHBondContact O-N 3.46Å; D258-Q262 WeakPolarHBondContact O-CB 3.25Å; D258-Q262 VanDerWaalsContact O-CG 3.25Å; D258-Q262 WeakPolarHBondContact O-CG 3.25Å; D258-Q262 PolarHBondContact O-N 3.28Å; D258-Q262 PolarHBondContact O-NE2 3.47Å
259D63.2Low56.1Low97 Ų97123 Ų12352%0.51968%0.68SS.*Hα-helixtrans-70.6-36.8174.5-78.9-18.3000112.1Q262 M263D259-Q262 PolarHBondContact O-N 2.88Å; D259-M263 VanDerWaalsContact O-CB 3.25Å; D259-M263 WeakPolarHBondContact O-CB 3.35Å; D259-M263 PolarHBondContact O-N 3.46Å
260L66.2Low56Low107 Ų107118.8 Ų118.856%0.5669%0.687SS**Hα-helixtrans-68.7-38.8172.4-168.976.8000111.2D256 M263 V264D256-L260 WeakPolarHBondContact O-CB 3.32Å; D256-L260 PolarHBondContact O-N 2.88Å; L260-M263 PolarHBondContact O-N 3Å; L260-V264 HydrophobicContact CG-CG2 4.49Å; L260-V264 WeakPolarHBondContact O-CB 3.16Å; L260-V264 VanDerWaalsContact O-CG2 3.26Å; L260-V264 WeakPolarHBondContact O-CG2 3.25Å; L260-V264 PolarHBondContact O-N 2.74Å
261A63.6Low56.1Low56 Ų56118.1 Ų118.146%0.46368%0.68SS.*Hα-helixtrans-64.8-39.5175.600000111.8V257 D258 A265V257-A261 VanDerWaalsContact O-CB 3.32Å; V257-A261 WeakPolarHBondContact O-CB 3.4Å; V257-A261 PolarHBondContact O-N 2.75Å; D258-A261 PolarHBondContact O-N 3.46Å; A261-A265 WeakPolarHBondContact O-CB 3.13Å; A261-A265 PolarHBondContact O-N 3.41Å
262Q64.1Low56.4Low129 Ų129115.4 Ų115.460%0.60369%0.685SS**Hα-helixtrans-70.2-35174.3-73.7163.642.300112.3D258 D259 G266D258-Q262 WeakPolarHBondContact O-CB 3.25Å; D258-Q262 VanDerWaalsContact O-CG 3.25Å; D258-Q262 WeakPolarHBondContact O-CG 3.25Å; D258-Q262 PolarHBondContact O-N 3.28Å; D258-Q262 PolarHBondContact O-NE2 3.47Å; D259-Q262 PolarHBondContact O-N 2.88Å; Q262-G266 PolarHBondContact O-N 3.14Å
263M67.9Low57Low140 Ų140115.4 Ų115.469%0.6969%0.685SS**Hα-helixtrans-70-39.4175.1-169.5-176.7-63.200112.4D259 L260 G266D259-M263 VanDerWaalsContact O-CB 3.25Å; D259-M263 WeakPolarHBondContact O-CB 3.35Å; D259-M263 PolarHBondContact O-N 3.46Å; L260-M263 PolarHBondContact O-N 3Å; M263-G266 PolarHBondContact O-N 2.79Å
264V61.5Low57.2Low92 Ų92117.7 Ų117.756%0.55870%0.698SS**Hα-helixtrans-72.8-36.2175.6173.10000111.1L260 G266 F267L260-V264 HydrophobicContact CG-CG2 4.49Å; L260-V264 WeakPolarHBondContact O-CB 3.16Å; L260-V264 VanDerWaalsContact O-CG2 3.26Å; L260-V264 WeakPolarHBondContact O-CG2 3.25Å; L260-V264 PolarHBondContact O-N 2.74Å; V264-G266 VanDerWaalsContact C-N 3.31Å; V264-G266 PolarHBondContact O-N 3.48Å; V264-F267 PolarHBondContact O-N 3.42Å
265A59.1Low57.9Low69 Ų69110 Ų11057%0.5769%0.692SS**Hα-helixtrans-66-31173.100000112.6A261 F267A261-A265 WeakPolarHBondContact O-CB 3.13Å; A261-A265 PolarHBondContact O-N 3.41Å; A265-F267 VanDerWaalsContact C-N 3.33Å; A265-F267 PolarHBondContact O-N 3.39Å
266G59.3Low57.6Low69 Ų69110.6 Ų110.671%0.71170%0.7SS**Hα-helixtrans-72.3-18.6174.700000115.2Q262 M263 V264Q262-G266 PolarHBondContact O-N 3.14Å; M263-G266 PolarHBondContact O-N 2.79Å; V264-G266 VanDerWaalsContact C-N 3.31Å; V264-G266 PolarHBondContact O-N 3.48Å
267F62.8Low57.2Low171 Ų171108.9 Ų108.975%0.7571%0.706SS**Hα-helixtrans-85.5-21.7-178.8-172.8-107000113.4V264 A265V264-F267 PolarHBondContact O-N 3.42Å; A265-F267 VanDerWaalsContact C-N 3.33Å; A265-F267 PolarHBondContact O-N 3.39Å
268W57.2Low56.7Low214 Ų214112.5 Ų112.581%0.81172%0.718SS**SBendtrans-12187.5177-84.388.5000111
269G42.4Very low56.3Low69 Ų69113.9 Ų113.971%0.71173%0.73SS**  trans90.879148.400000116.7
270A43.5Very low55.8Low114 Ų114113.4 Ų113.494%0.94274%0.74SS**  trans-60.8123.4142.100000109.2
271G44.5Very low55Low72 Ų72114 Ų11474%0.74275%0.753SS**  trans175.5108.8173.300000113.7
272A54.5Low54.7Low114 Ų114116.6 Ų116.694%0.94277%0.768SS**  trans72.7125.1169.500000115.4
273G53.2Low54.3Low73 Ų73120 Ų12075%0.75378%0.784SS**  cis150.3106.214.600000105.7
274D48.8Very low53.4Low179 Ų179116.7 Ų116.796%0.95779%0.785SS**  trans-63.9130.3179-62.2-62.8000110.5
275G59.2Low53.3Low75 Ų75117 Ų11777%0.77379%0.791SS**  trans-157.185-179.100000110
276D52.9Low53.3Low173 Ų173121 Ų12193%0.92580%0.803SS**  trans-42.4149.8167.7-86-60.2000113.8
277G50.5Low53.3Low61 Ų61120.6 Ų120.663%0.62980%0.799SS**  trans111.497.8137.100000116.7
278M52.3Low52.9Low179 Ų179123.9 Ų123.988%0.88281%0.808SS**  74.3132.2121.6-73178.3-17400119.9
279V54.7Low53.1Low138 Ų138118 Ų11884%0.83680%0.8SS**  trans87.8119.2143.3-63.10000122.2
280A53.2Low53.9Low88 Ų88119.9 Ų119.973%0.72780%0.799SS**  trans89.893.8130.200000120.5
281S49.9Very low54.4Low119 Ų119123.9 Ų123.983%0.83280%0.796SS**  15.8120.4120.1-46.60000120.5
282S58.3Low55.1Low111 Ų111125.9 Ų125.978%0.77680%0.798SS**  trans164.6111.1131.5-80.80000108.9
283Q54.8Low55.1Low201 Ų201130.2 Ų130.294%0.93980%0.796SS**  61.7129.391.9-80.2-166.1-7.700116
284G49.3Very low55.5Low69 Ų69135.2 Ų135.271%0.71181%0.805SS**  trans117.586.6168.900000111.4
285S59.4Low56.1Low98 Ų98131.1 Ų131.169%0.68579%0.79SS**  68.8127.668.389.50000114.2
286D59Low56.2Low154 Ų154139.6 Ų139.682%0.82481%0.809SS**  trans73.5129.5156.8-39.4-47.4000116.2
287G58.6Low56.3Low61 Ų61137.9 Ų137.963%0.62980%0.803SS**  cis146.9141.91400000107.6
288Y55.1Low56.7Low239 Ų239141.9 Ų141.994%0.93781%0.812SS**  trans64.7149.3166.1-77.9-103.5000118
289S61.1Low56.9Low92 Ų92139.9 Ų139.964%0.64381%0.808SS**  cis-175.8147.4-21174.50000104
290P59.9Low57Low107 Ų107140 Ų14070%0.69581%0.807SS**  trans-101115.7-163.434-24.4000111.8
291F53.5Low57.3Low198 Ų198143.3 Ų143.387%0.86881%0.812SS**  trans-163.3124.4157.8-93.7-75.4000109.4
292S58.4Low57.8Low114 Ų114144.9 Ų144.980%0.79781%0.81SS**  163.8105.6125.4-70.70000111.9
293F55.8Low57.7Low205 Ų205147.3 Ų147.390%0.89981%0.813SS**  trans26.7116.4136.8-99.8-102.8000119.8
294L61.5Low57.9Low179 Ų179143.2 Ų143.294%0.93780%0.803SS**  trans-84.6127.5159.5-146.874.6000109
295S61.5Low58.7Low92 Ų92149.3 Ų149.364%0.64381%0.811SS**  trans-149.3139.1168.8-177.60000108.9
296H60.3Low58.6Low253 Ų253154 Ų154100%1.17182%0.822SS**  trans80.90-174.5-67.171.1000117.4

Retrieved 296 of 296 residues in 93.2 ms (Link to these results)