A0A096M950_POEFO Loading...

A-kinase anchor protein 2 C-terminal domain-containing protein

AlphaFold DB , UniProt , Accession A0A096M950, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 341 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
1S42.6Very low56.6Low172 Ų172144.5 Ų144.5100%1.20381%0.813SS**  073.50-350000106.1
2D43.2Very low56.4Low151 Ų151138.4 Ų138.481%0.80781%0.807SS**  61132.461.2-134.83.4000113.3
3T55.7Low56.1Low115 Ų115138.2 Ų138.271%0.70681%0.808SS**  trans68.9114.7168.624.70000119
4Y60.8Low55.6Low231 Ų231136.1 Ų136.191%0.90680%0.804SS**  -162.2117103.9-104.6-80.6000110.6
5D57.6Low55.2Low130 Ų130132.9 Ų132.970%0.69580%0.799SS**  trans-87.4135.9163.8-174.94.8000106.6
6D63.3Low54.8Low139 Ų139133.7 Ų133.774%0.74380%0.798SS**  trans-141.995.3162.5-161.915000109.8
7S65.9Low54.5Low93 Ų93135.8 Ų135.865%0.6580%0.795SS**  trans-77.8115.9167.7-68.60000109.3
8Q61.3Low54.1Low180 Ų180138.9 Ų138.984%0.84180%0.8SS**  trans-122.4100159.2-63.2-137.8-71.300110.2
9S59.9Low53.9Low122 Ų122137.3 Ų137.385%0.85380%0.798SS**  trans-89.7127.9155.1-67.40000108.7
10D56.2Low53Low155 Ų155140.7 Ų140.783%0.82980%0.798SS**  trans-174.8143.2154.2-136.1-15.6000104.4
11S55.9Low52.6Low101 Ų101144.8 Ų144.871%0.70680%0.801SS**  cis-165.413819.1-135.80000103.3
12G54.4Low52.4Low72 Ų72142.6 Ų142.674%0.74278%0.78SS**  74.583.268.500000110.9
13V52.9Low52.8Low135 Ų135143.6 Ų143.682%0.81878%0.78SS**  trans-146.699.5155.989.40000112.7
14S48.6Very low52.1Low109 Ų109144.6 Ų144.676%0.76278%0.781SS**  trans50.598.4141.8-48.50000119.9
15A50.3Low51.4Low88 Ų88138.9 Ų138.973%0.72778%0.775SS**  -64.3129.9124.500000108.4
16D48.5Very low50.5Low146 Ų146137.6 Ų137.678%0.78178%0.776SS**  -177.8150.1117.9-91.2-23.9000114.5
17F49.7Very low49.6Very low169 Ų169136.4 Ų136.474%0.74177%0.774SS**  trans-41.9146.8177.4-73.5-106.1000116.4
18H46.9Very low48.4Very low193 Ų193137.2 Ų137.289%0.89478%0.78SS**  -148.4116.3127.7-73.5-41.4000111.2
19S49.4Very low47.6Very low107 Ų107136.2 Ų136.275%0.74878%0.777SS**  trans-104.2112.4162.7-860000109
20Y36.9Very low46.6Very low205 Ų205135.6 Ų135.680%0.80477%0.773SS**  trans175.9119.1137.757.5-103.3000107.7
21R45Very low45.8Very low227 Ų227135.4 Ų135.486%0.85778%0.777SS**  97.9123.894.6176.9-179.7-73.9-97.8-0.3112.2
22T38.6Very low45.2Very low126 Ų126138.3 Ų138.377%0.77379%0.785SS**  trans145.689.6145-580000106.2
23Q50.5Low44.8Very low173 Ų173140.1 Ų140.181%0.80879%0.786SS**  34.6123.698.3-77.6-154.5-24.200111.2
24D41.3Very low45.1Very low136 Ų136139.7 Ų139.773%0.72779%0.786SS**  cis177.8168.444.536.414.9000109.8
25S45.2Very low44.6Very low110 Ų110138 Ų13877%0.76979%0.786SS**  trans77.9126.2160.5-51.20000117.4
26S40.1Very low44.4Very low103 Ų103138.7 Ų138.772%0.7278%0.783SS**  cis-167129.812.738.70000111
27T43Very low44.4Very low115 Ų115137.9 Ų137.971%0.70678%0.783SS**  trans60.9101.1131.9-47.30000119.6M29T27-M29 HydrophobicContact CG2-CE 4.07Å
28S41.2Very low44.6Very low110 Ų110135.5 Ų135.577%0.76979%0.787SS**  -162.4104.8107.853.60000112.5
29M44.8Very low45.5Very low159 Ų159130.8 Ų130.878%0.78378%0.776SS**  trans28.495.6150.4-39.6-50.6-17900117.5T27T27-M29 HydrophobicContact CG2-CE 4.07Å
30S38.8Very low47.1Very low109 Ų109128.5 Ų128.576%0.76275%0.753SS**  60.310181-62.70000115.4
31T40.1Very low49.8Very low150 Ų150121.4 Ų121.492%0.9273%0.731SS**  -148.381.5110.240.90000108
32D43.1Very low52Low163 Ų163115.9 Ų115.987%0.87273%0.725SS**  trans-127.6117.1161-139.43.1000106.8
33S46.6Very low54.6Low109 Ų109114.8 Ų114.876%0.76271%0.714SS**  trans-86.3138.9-176.1-174.20000109G35S33-G35 PolarHBondContact O-N 3.49Å
34P58.8Low56.7Low127 Ų127111.3 Ų111.383%0.82570%0.697SS**  trans-84.4119.7-17332-30.8000112.8
35G38.9Very low59.3Low73 Ų73110.4 Ų110.475%0.75368%0.684SS**  trans87.2154.8152.400000118.1S33S33-G35 PolarHBondContact O-N 3.49Å
36P45.9Very low61.7Low103 Ų103111 Ų11167%0.66967%0.674SS**  cis-123.1169.41440.4-25.1000114.9S38P36-S38 PolarHBondContact O-N 3.41Å
37V48.5Very low64.3Low129 Ų129110.2 Ų110.278%0.78266%0.661SS**THydrogen-bonded Turntrans-12108.6156.2-75.70000115.9S39V37-S39 PolarHBondContact O-N 3.48Å
38S54.3Low66.8Low119 Ų119110.4 Ų110.483%0.83265%0.649SS**THydrogen-bonded Turntrans30.460.8154.558.20000117.2P36P36-S38 PolarHBondContact O-N 3.41Å
39S64.6Low69.4Low94 Ų94112.1 Ų112.166%0.65764%0.639SS**  trans-92.127.1157.769.20000111.5V37 T41V37-S39 PolarHBondContact O-N 3.48Å; S39-T41 PolarHBondContact O-N 3.16Å
40E83.5Confident71.9Confident58 Ų58106.2 Ų106.227%0.27162%0.615SS.*  trans-60110.2176.3-175.4-176.5-138.300108.3E44 R45 R48E40-E44 HydrophobicContact CG-CB 3.92Å; E40-R45 VanDerWaalsContact CD-CA 3.45Å; E40-R45 HydrophobicContact CG-CB 3.93Å; E40-R45 VanDerWaalsContact OE1-CA 3.24Å; E40-R45 WeakPolarHBondContact OE1-CA 3.3Å; E40-R45 WeakPolarHBondContact OE2-CG 3.15Å; E40-R45 IonicContact OE2-NE 3.47Å; E40-R45 PolarHBondContact OE2-NE 3.04Å; E40-R48 IonicContact OE1-CZ 2.74Å; E40-R48 IonicContact OE1-NE 2.81Å; E40-R48 PolarHBondContact OE1-NE 3.12Å; E40-R48 IonicContact OE1-NH2 3.22Å; E40-R48 PolarHBondContact OE1-NH2 3.37Å; E40-R48 IonicContact OE2-NH2 3.36Å; E40-R48 PolarHBondContact OE2-NH2 3.07Å
41T92.4Very high74.5Confident56 Ų56105.3 Ų105.334%0.34460%0.6SS.*  trans-62.9155.6176.763.40000109.6S39 I43 E44 R45S39-T41 PolarHBondContact O-N 3.16Å; T41-I43 PolarHBondContact O-N 2.77Å; T41-I43 VanDerWaalsContact O-N 3.09Å; T41-I43 WeakPolarHBondContact OG1-CG2 3.48Å; T41-E44 VanDerWaalsContact CB-OE2 3.25Å; T41-E44 WeakPolarHBondContact CB-OE2 3.42Å; T41-E44 VanDerWaalsContact CG2-OE2 3.24Å; T41-E44 WeakPolarHBondContact CG2-OE2 3.4Å; T41-E44 PolarHBondContact N-OE2 3.3Å; T41-E44 PolarHBondContact O-N 2.96Å; T41-E44 VanDerWaalsContact O-N 3.09Å; T41-E44 WeakPolarHBondContact OG1-CG 3.5Å; T41-E44 PolarHBondContact OG1-N 3.29Å; T41-E44 PolarHBondContact OG1-OE2 2.81Å; T41-R45 PolarHBondContact O-N 3.35Å
42P92.8Very high77.1Confident112 Ų112103.2 Ų103.273%0.72758%0.58SS**Hα-helixtrans-51.5-35175.6-28.836000113.3E46P42-E46 PolarHBondContact O-N 2.74Å
43I93.1Very high79.7Confident103 Ų103102.6 Ų102.653%0.52857%0.566SS.*Hα-helixtrans-72.8-41.1178.5-174.162.4000112.4T41 R45 E46 I47T41-I43 PolarHBondContact O-N 2.77Å; T41-I43 VanDerWaalsContact O-N 3.09Å; T41-I43 WeakPolarHBondContact OG1-CG2 3.48Å; I43-R45 VanDerWaalsContact C-N 3.28Å; I43-R45 PolarHBondContact O-N 3.17Å; I43-E46 PolarHBondContact O-N 3.43Å; I43-I47 HydrophobicContact CG1-CD1 4.09Å; I43-I47 VanDerWaalsContact O-CG1 3.31Å; I43-I47 WeakPolarHBondContact O-CG1 2.96Å; I43-I47 PolarHBondContact O-N 2.91Å
44E94.5Very high82Confident99 Ų99101.1 Ų101.146%0.46355%0.547SS..Hα-helixtrans-64.6-35.4175.6-78.8146.617200112.1E40 T41 E46 I47 R48E40-E44 HydrophobicContact CG-CB 3.92Å; T41-E44 VanDerWaalsContact CB-OE2 3.25Å; T41-E44 WeakPolarHBondContact CB-OE2 3.42Å; T41-E44 VanDerWaalsContact CG2-OE2 3.24Å; T41-E44 WeakPolarHBondContact CG2-OE2 3.4Å; T41-E44 PolarHBondContact N-OE2 3.3Å; T41-E44 PolarHBondContact O-N 2.96Å; T41-E44 VanDerWaalsContact O-N 3.09Å; T41-E44 WeakPolarHBondContact OG1-CG 3.5Å; T41-E44 PolarHBondContact OG1-N 3.29Å; T41-E44 PolarHBondContact OG1-OE2 2.81Å; E44-E46 VanDerWaalsContact C-N 3.34Å; E44-E46 PolarHBondContact O-N 2.92Å; E44-I47 PolarHBondContact O-N 3.46Å; E44-R48 WeakPolarHBondContact O-CB 3.26Å; E44-R48 PolarHBondContact O-N 3.39Å
45R94.7Very high83.7Confident117 Ų11798.8 Ų98.844%0.44253%0.525SS..Hα-helixtrans-61.8-41.8174.5-168178.3-56.4168.914112.6E40 T41 I43 R49E40-R45 VanDerWaalsContact CD-CA 3.45Å; E40-R45 HydrophobicContact CG-CB 3.93Å; E40-R45 VanDerWaalsContact OE1-CA 3.24Å; E40-R45 WeakPolarHBondContact OE1-CA 3.3Å; E40-R45 WeakPolarHBondContact OE2-CG 3.15Å; E40-R45 IonicContact OE2-NE 3.47Å; E40-R45 PolarHBondContact OE2-NE 3.04Å; T41-R45 PolarHBondContact O-N 3.35Å; I43-R45 VanDerWaalsContact C-N 3.28Å; I43-R45 PolarHBondContact O-N 3.17Å; R45-R49 WeakPolarHBondContact O-CB 3.35Å; R45-R49 VanDerWaalsContact O-CG 3.31Å; R45-R49 WeakPolarHBondContact O-CG 3.42Å; R45-R49 PolarHBondContact O-N 2.88Å; R45-R49 VanDerWaalsContact O-N 3.11Å
46E95.8Very high86.3Confident123 Ų12398.3 Ų98.358%0.57551%0.51SS*.Hα-helixtrans-68.9-42.9176.7-177.5159.4-150.200111.5P42 I43 E44 R48 R49 A50P42-E46 PolarHBondContact O-N 2.74Å; I43-E46 PolarHBondContact O-N 3.43Å; E44-E46 VanDerWaalsContact C-N 3.34Å; E44-E46 PolarHBondContact O-N 2.92Å; E46-R48 PolarHBondContact O-N 3.14Å; E46-R49 PolarHBondContact O-N 2.97Å; E46-A50 VanDerWaalsContact O-CB 3.3Å; E46-A50 WeakPolarHBondContact O-CB 3.35Å; E46-A50 PolarHBondContact O-N 3.39Å
47I95.5Very high88.7Confident86 Ų8697 Ų9744%0.44150%0.497SS..Hα-helixtrans-57.8-48.9175.9-68.6166.4000110.4I43 E44 R49 A50 I51I43-I47 HydrophobicContact CG1-CD1 4.09Å; I43-I47 VanDerWaalsContact O-CG1 3.31Å; I43-I47 WeakPolarHBondContact O-CG1 2.96Å; I43-I47 PolarHBondContact O-N 2.91Å; E44-I47 PolarHBondContact O-N 3.46Å; I47-R49 PolarHBondContact O-N 2.78Å; I47-A50 PolarHBondContact O-N 2.94Å; I47-I51 HydrophobicContact CG2-CD1 3.7Å; I47-I51 HydrophobicContact CG2-CG1 4.41Å; I47-I51 VanDerWaalsContact O-CG1 3.28Å; I47-I51 WeakPolarHBondContact O-CG1 3.5Å; I47-I51 PolarHBondContact O-N 3.24Å
48R95.9Very high90.8Very high119 Ų11993.8 Ų93.845%0.44947%0.471SS..Hα-helixtrans-59.5-46.5178.1-175177.85887.5-4.6112E40 E44 E46 A50 I51 E52E40-R48 IonicContact OE1-CZ 2.74Å; E40-R48 IonicContact OE1-NE 2.81Å; E40-R48 PolarHBondContact OE1-NE 3.12Å; E40-R48 IonicContact OE1-NH2 3.22Å; E40-R48 PolarHBondContact OE1-NH2 3.37Å; E40-R48 IonicContact OE2-NH2 3.36Å; E40-R48 PolarHBondContact OE2-NH2 3.07Å; E44-R48 WeakPolarHBondContact O-CB 3.26Å; E44-R48 PolarHBondContact O-N 3.39Å; E46-R48 PolarHBondContact O-N 3.14Å; R48-A50 VanDerWaalsContact C-N 3.33Å; R48-A50 PolarHBondContact O-N 3.37Å; R48-I51 PolarHBondContact O-N 3Å; R48-E52 WeakPolarHBondContact O-CB 3.43Å; R48-E52 PolarHBondContact O-N 3.38Å
49R95.8Very high92.7Very high147 Ų14795.3 Ų95.356%0.55546%0.458SS*.Hα-helixtrans-64.3-35.9176.8-74.1177.4-178.5-101.12.8112.6R45 E46 I47 R53R45-R49 WeakPolarHBondContact O-CB 3.35Å; R45-R49 VanDerWaalsContact O-CG 3.31Å; R45-R49 WeakPolarHBondContact O-CG 3.42Å; R45-R49 PolarHBondContact O-N 2.88Å; R45-R49 VanDerWaalsContact O-N 3.11Å; E46-R49 PolarHBondContact O-N 2.97Å; I47-R49 PolarHBondContact O-N 2.78Å; R49-R53 WeakPolarHBondContact O-CB 3.37Å; R49-R53 WeakPolarHBondContact O-CG 3.32Å; R49-R53 PolarHBondContact O-N 3.35Å
50A95.6Very high94.1Very high34 Ų3495.2 Ų95.228%0.28146%0.458SS..Hα-helixtrans-68.4-43.7177.100000111.4E46 I47 R48 R53 E54E46-A50 VanDerWaalsContact O-CB 3.3Å; E46-A50 WeakPolarHBondContact O-CB 3.35Å; E46-A50 PolarHBondContact O-N 3.39Å; I47-A50 PolarHBondContact O-N 2.94Å; R48-A50 VanDerWaalsContact C-N 3.33Å; R48-A50 PolarHBondContact O-N 3.37Å; A50-R53 PolarHBondContact O-N 2.87Å; A50-E54 WeakPolarHBondContact O-CB 3.38Å; A50-E54 PolarHBondContact O-N 3.03Å
51I94.2Very high94.6Very high90 Ų90100.6 Ų100.646%0.46248%0.476SS..Hα-helixtrans-60.3-46.2174.6-68.4167000110.2I47 R48 E54 Q55I47-I51 HydrophobicContact CG2-CD1 3.7Å; I47-I51 HydrophobicContact CG2-CG1 4.41Å; I47-I51 VanDerWaalsContact O-CG1 3.28Å; I47-I51 WeakPolarHBondContact O-CG1 3.5Å; I47-I51 PolarHBondContact O-N 3.24Å; R48-I51 PolarHBondContact O-N 3Å; I51-E54 PolarHBondContact O-N 3.33Å; I51-Q55 HydrophobicContact CG2-CG 4.36Å; I51-Q55 WeakPolarHBondContact O-CB 3.43Å; I51-Q55 VanDerWaalsContact O-CG 3.27Å; I51-Q55 WeakPolarHBondContact O-CG 3.37Å; I51-Q55 PolarHBondContact O-N 2.98Å
52E94.8Very high94.5Very high107 Ų107101.2 Ų101.250%0.549%0.493SS..Hα-helixtrans-61.2-45.2177.5-175.4-177.8-175.100112.2R48 E54 Q55 S56R48-E52 WeakPolarHBondContact O-CB 3.43Å; R48-E52 PolarHBondContact O-N 3.38Å; E52-E54 PolarHBondContact O-N 2.92Å; E52-Q55 PolarHBondContact O-N 3.33Å; E52-S56 WeakPolarHBondContact O-CB 3.5Å; E52-S56 PolarHBondContact O-N 2.92Å
53R96.7Very high94.2Very high150 Ų150100.3 Ų100.357%0.56648%0.481SS*.Hα-helixtrans-59-45.7175.2-81.4-171.3-71.3109.3-7.5111.9R49 A50 S56 L57R49-R53 WeakPolarHBondContact O-CB 3.37Å; R49-R53 WeakPolarHBondContact O-CG 3.32Å; R49-R53 PolarHBondContact O-N 3.35Å; A50-R53 PolarHBondContact O-N 2.87Å; R53-S56 PolarHBondContact O-N 3.26Å; R53-L57 WeakPolarHBondContact O-CG 3.46Å; R53-L57 PolarHBondContact O-N 2.88Å
54E95.3Very high93.7Very high77 Ų77100.7 Ų100.736%0.3649%0.49SS..Hα-helixtrans-65.1-43.5178.8177.160.1-166.500111.6A50 I51 E52 S56 L57 R58A50-E54 WeakPolarHBondContact O-CB 3.38Å; A50-E54 PolarHBondContact O-N 3.03Å; I51-E54 PolarHBondContact O-N 3.33Å; E52-E54 PolarHBondContact O-N 2.92Å; E54-S56 VanDerWaalsContact C-N 3.33Å; E54-S56 PolarHBondContact O-N 2.88Å; E54-L57 PolarHBondContact O-N 3.46Å; E54-R58 WeakPolarHBondContact O-CG 3.3Å; E54-R58 PolarHBondContact O-N 3.14Å; E54-R58 IonicContact OE1-CZ 3.79Å; E54-R58 VanDerWaalsContact OE1-CZ 3.22Å; E54-R58 IonicContact OE1-NE 3.13Å; E54-R58 PolarHBondContact OE1-NE 3.1Å; E54-R58 IonicContact OE1-NH2 2.89Å; E54-R58 PolarHBondContact OE1-NH2 2.88Å
55Q94.3Very high93.1Very high79 Ų7999.7 Ų99.737%0.36949%0.488SS..Hα-helixtrans-61-41.6174.9-73.1176.62.500111.8I51 E52 R58 R59I51-Q55 HydrophobicContact CG2-CG 4.36Å; I51-Q55 WeakPolarHBondContact O-CB 3.43Å; I51-Q55 VanDerWaalsContact O-CG 3.27Å; I51-Q55 WeakPolarHBondContact O-CG 3.37Å; I51-Q55 PolarHBondContact O-N 2.98Å; E52-Q55 PolarHBondContact O-N 3.33Å; Q55-R58 PolarHBondContact O-N 3.33Å; Q55-R59 WeakPolarHBondContact O-CG 3.49Å; Q55-R59 PolarHBondContact O-N 2.8Å
56S95.2Very high91.9Very high62 Ų62101.4 Ų101.443%0.43450%0.501SS..Hα-helixtrans-62.6-43.1175.9-167.80000112.2E52 R53 E54 R58 R59 S60E52-S56 WeakPolarHBondContact O-CB 3.5Å; E52-S56 PolarHBondContact O-N 2.92Å; R53-S56 PolarHBondContact O-N 3.26Å; E54-S56 VanDerWaalsContact C-N 3.33Å; E54-S56 PolarHBondContact O-N 2.88Å; S56-R58 VanDerWaalsContact C-N 3.35Å; S56-R59 PolarHBondContact O-N 3.49Å; S56-S60 PolarHBondContact O-N 3.24Å
57L95.6Very high90.2Very high77 Ų77104.6 Ų104.640%0.40351%0.508SS..Hα-helixtrans-61.8-42.8175-76.3170.3000111.6R53 E54 S60 R61R53-L57 WeakPolarHBondContact O-CG 3.46Å; R53-L57 PolarHBondContact O-N 2.88Å; E54-L57 PolarHBondContact O-N 3.46Å; L57-S60 WeakPolarHBondContact CA-OG 3.32Å; L57-S60 PolarHBondContact O-N 3.46Å; L57-S60 PolarHBondContact O-OG 3.24Å; L57-R61 WeakPolarHBondContact O-CB 3.47Å; L57-R61 VanDerWaalsContact O-CG 3.31Å; L57-R61 WeakPolarHBondContact O-CG 3.22Å; L57-R61 PolarHBondContact O-N 2.87Å
58R93.4Very high88.5Confident61 Ų61108 Ų10823%0.2353%0.533CS..Hα-helixtrans-61.5-46.5176.4-73.3-178.4-171.2170.51.8112.1E54 Q55 S56 S60 R61 G62 L63E54-R58 WeakPolarHBondContact O-CG 3.3Å; E54-R58 PolarHBondContact O-N 3.14Å; E54-R58 IonicContact OE1-CZ 3.79Å; E54-R58 VanDerWaalsContact OE1-CZ 3.22Å; E54-R58 IonicContact OE1-NE 3.13Å; E54-R58 PolarHBondContact OE1-NE 3.1Å; E54-R58 IonicContact OE1-NH2 2.89Å; E54-R58 PolarHBondContact OE1-NH2 2.88Å; Q55-R58 PolarHBondContact O-N 3.33Å; S56-R58 VanDerWaalsContact C-N 3.35Å; R58-S60 VanDerWaalsContact C-N 3.35Å; R58-S60 PolarHBondContact O-N 3Å; R58-R61 CarbonylContact O-C 3.59Å; R58-R61 PolarHBondContact O-N 3.43Å; R58-R61 VanDerWaalsContact O-N 3.1Å; R58-G62 PolarHBondContact O-N 2.96Å; R58-G62 VanDerWaalsContact O-N 3.11Å; R58-L63 HydrophobicContact CB-CB 4.17Å; R58-L63 HydrophobicContact CG-CB 4.4Å; R58-L63 PolarHBondContact O-N 3.21Å
59R93.4Very high86.6Confident150 Ų150105.8 Ų105.857%0.56654%0.536SS*.Hα-helixtrans-57.4-45.7173.7-71.9-171.4-65.3-137.1-0.6112Q55 S56 R61 G62Q55-R59 WeakPolarHBondContact O-CG 3.49Å; Q55-R59 PolarHBondContact O-N 2.8Å; S56-R59 PolarHBondContact O-N 3.49Å; R59-R61 PolarHBondContact O-N 2.9Å; R59-G62 PolarHBondContact O-N 3.36Å; R59-G62 VanDerWaalsContact O-N 3.07Å
60S92.8Very high84.8Confident93 Ų93103.5 Ų103.565%0.6554%0.54SS*.Hα-helixtrans-63.9-25.6178.475.50000113.6S56 L57 R58S56-S60 PolarHBondContact O-N 3.24Å; L57-S60 WeakPolarHBondContact CA-OG 3.32Å; L57-S60 PolarHBondContact O-N 3.46Å; L57-S60 PolarHBondContact O-OG 3.24Å; R58-S60 VanDerWaalsContact C-N 3.35Å; R58-S60 PolarHBondContact O-N 3Å
61R94.4Very high82.9Confident171 Ų171108.3 Ų108.365%0.64556%0.557SS**THydrogen-bonded Turntrans-93.31.3177.6-68.4175.7176.8173.9-0.3113.1L57 R58 R59 L63L57-R61 WeakPolarHBondContact O-CB 3.47Å; L57-R61 VanDerWaalsContact O-CG 3.31Å; L57-R61 WeakPolarHBondContact O-CG 3.22Å; L57-R61 PolarHBondContact O-N 2.87Å; R58-R61 CarbonylContact O-C 3.59Å; R58-R61 PolarHBondContact O-N 3.43Å; R58-R61 VanDerWaalsContact O-N 3.1Å; R59-R61 PolarHBondContact O-N 2.9Å; R61-L63 HydrophobicContact CB-CD1 4.1Å; R61-L63 HydrophobicContact CB-CG 4.02Å; R61-L63 PolarHBondContact O-N 3.24Å
62G91.9Very high81.7Confident68 Ų68114 Ų11470%0.70157%0.574SS**THydrogen-bonded Turntrans66.519.6-175.700000114R58 R59R58-G62 PolarHBondContact O-N 2.96Å; R58-G62 VanDerWaalsContact O-N 3.11Å; R59-G62 PolarHBondContact O-N 3.36Å; R59-G62 VanDerWaalsContact O-N 3.07Å
63L86.2Confident80.5Confident93 Ų93115.7 Ų115.749%0.48759%0.585SS.*PPolyproline II helixtrans-86.4137.2179.2-64.3174.7000110.1R58 R61R58-L63 HydrophobicContact CB-CB 4.17Å; R58-L63 HydrophobicContact CG-CB 4.4Å; R58-L63 PolarHBondContact O-N 3.21Å; R61-L63 HydrophobicContact CB-CD1 4.1Å; R61-L63 HydrophobicContact CB-CG 4.02Å; R61-L63 PolarHBondContact O-N 3.24Å
64P82.2Confident78.7Confident111 Ų111117.1 Ų117.172%0.72160%0.598SS**PPolyproline II helixtrans-64.5140.8177.527-33.6000110.9
65N81.5Confident77.2Confident78 Ų78119.2 Ų119.242%0.41762%0.616SS.*PPolyproline II helixtrans-65135.5172.7-73.6-26.7000109.3R67N65-R67 PolarHBondContact O-N 3.17Å
66Q68.8Low75.7Confident153 Ų153120.4 Ų120.472%0.71563%0.63SS**PPolyproline II helixtrans-66.6124.3174.8-70.1-160.413.700108.9
67R61.3Low73.9Confident191 Ų191122.9 Ų122.972%0.72165%0.647SS**PPolyproline II helixtrans-64137.7172.6-66.9-176.8176.4176.4-2.8108.1N65 S69 E71N65-R67 PolarHBondContact O-N 3.17Å; R67-S69 PolarHBondContact O-N 3.29Å; R67-S69 VanDerWaalsContact O-N 3.14Å; R67-E71 IonicContact NH1-OE2 3.58Å
68T59.7Low72Confident156 Ų156130.3 Ų130.396%0.95767%0.67SS**SBendtrans-724.3178.442.80000113.6
69S55.3Low70.5Confident73 Ų73136.8 Ų136.851%0.5170%0.7SS.*SBendtrans-112.8131.417363.10000110.9R67 E71R67-S69 PolarHBondContact O-N 3.29Å; R67-S69 VanDerWaalsContact O-N 3.14Å; S69-E71 PolarHBondContact O-N 2.95Å
70P57.9Low68.6Low99 Ų99135.2 Ų135.264%0.64371%0.712SS**  trans-76.191.717231.9-31.2000109.2Y72P70-Y72 HydrophobicContact CB-CD2 4.2Å; P70-Y72 HydrophobicContact CB-CE2 3.68Å; P70-Y72 HydrophobicContact CG-CE2 4.09Å; P70-Y72 PolarHBondContact O-N 3.15Å
71E56.9Low66.4Low136 Ų136138.2 Ų138.264%0.63672%0.72SS**  trans-78.393.7165.4-170.7175.4-179.800107.5R67 S69 I73R67-E71 IonicContact NH1-OE2 3.58Å; S69-E71 PolarHBondContact O-N 2.95Å; E71-I73 PolarHBondContact O-N 2.84Å
72Y68.8Low64.6Low209 Ų209135 Ų13582%0.8272%0.723SS**  trans-72.3110.8171.5-66.4-83.6000108.4P70P70-Y72 HydrophobicContact CB-CD2 4.2Å; P70-Y72 HydrophobicContact CB-CE2 3.68Å; P70-Y72 HydrophobicContact CG-CE2 4.09Å; P70-Y72 PolarHBondContact O-N 3.15Å
73I68.4Low62.3Low142 Ų142139.5 Ų139.573%0.72873%0.728SS**  trans-91.1115164.6-24174.5000106.3E71 V75E71-I73 PolarHBondContact O-N 2.84Å; I73-V75 PolarHBondContact O-N 3.46Å
74E60Low60.2Low180 Ų180139.9 Ų139.984%0.84174%0.739SS**  trans-64.3105.4171.4-173.1177.1-175.800107.8P76E74-P76 WeakPolarHBondContact O-CD 3.41Å
75V64.4Low58.5Low121 Ų121140.3 Ų140.373%0.73375%0.745SS**  trans-79.6111.8172.2-177.70000106.4I73 S77I73-V75 PolarHBondContact O-N 3.46Å; V75-S77 PolarHBondContact O-N 3.33Å
76P61.7Low56.6Low104 Ų104141.9 Ų141.968%0.67576%0.757SS**  trans-61116.7177.1-2134.5000108.2E74 R78E74-P76 WeakPolarHBondContact O-CD 3.41Å; P76-R78 VanDerWaalsContact C-N 3.26Å; P76-R78 PolarHBondContact O-N 3.27Å
77S56.5Low55.5Low114 Ų114140.3 Ų140.380%0.79776%0.76SS**  trans-66.891.6173.265.30000107.7V75 K79V75-S77 PolarHBondContact O-N 3.33Å; S77-K79 PolarHBondContact O-N 3.08Å
78R57Low54.9Low234 Ų234140.9 Ų140.988%0.88377%0.768SS**  trans-59117.2169.8-74.2-165.8-80.5-126.30.5106.9P76 S80P76-R78 VanDerWaalsContact C-N 3.26Å; P76-R78 PolarHBondContact O-N 3.27Å; R78-S80 PolarHBondContact O-N 2.81Å; R78-S80 VanDerWaalsContact O-N 3.15Å
79K60.8Low54Low197 Ų197144.3 Ų144.386%0.85776%0.763SS**  trans-45.5122.8172.4-61.9173.4-175176.90107.4S77 L81S77-K79 PolarHBondContact O-N 3.08Å; K79-L81 PolarHBondContact O-N 3.28Å
80S54.9Low54.1Low116 Ų116142.1 Ų142.181%0.81175%0.748SS**  trans-46.496.6-174.1164.50000111.8R78 S82R78-S80 PolarHBondContact O-N 2.81Å; R78-S80 VanDerWaalsContact O-N 3.15Å; S80-S82 PolarHBondContact O-N 3.06Å
81L45.8Very low54.2Low156 Ų156144.3 Ų144.382%0.81775%0.75SS**  trans-79.2103.3158.7-69.7178.4000106.6K79 M83K79-L81 PolarHBondContact O-N 3.28Å; L81-M83 PolarHBondContact O-N 2.96Å; L81-M83 VanDerWaalsContact O-N 3.1Å
82S56.4Low54.6Low103 Ų103142.3 Ų142.372%0.7274%0.743SS**  trans-7.2101.4154.5170.40000113.1S80S80-S82 PolarHBondContact O-N 3.06Å
83M42.8Very low54.7Low164 Ų164139.1 Ų139.181%0.80873%0.734SS**  trans-126.9115166.4-76.6-74.2105.700108.3L81L81-M83 PolarHBondContact O-N 2.96Å; L81-M83 VanDerWaalsContact O-N 3.1Å
84S42.1Very low55.4Low100 Ų100137 Ų13770%0.69972%0.723SS**  trans33.3113158.950.70000118.8T86S84-T86 PolarHBondContact O-N 3.31Å
85S46.8Very low56.7Low121 Ų121136 Ų13685%0.84671%0.712SS**  trans-51.1100.6158.955.20000111.6
86T41.9Very low57.8Low111 Ų111136.4 Ų136.468%0.68171%0.706SS**  trans-69.1138.2145.956.60000106.9S84 K88S84-T86 PolarHBondContact O-N 3.31Å; T86-K88 PolarHBondContact O-N 3.44Å
87P45.4Very low59.1Low120 Ų120138.5 Ų138.578%0.77971%0.705SS**  trans-63.9108.2176.725.7-29.6000106.7W89P87-W89 PolarHBondContact O-N 3.03Å
88K49.3Very low60.8Low203 Ų203135.7 Ų135.788%0.88369%0.688SS**  trans-57.290.1164.6-75.9174.3177.6166.40106.2T86 S90T86-K88 PolarHBondContact O-N 3.44Å; K88-S90 PolarHBondContact O-N 3.18Å
89W41.3Very low62.6Low228 Ų228125.7 Ų125.786%0.86466%0.658SS**  trans-64.490175.5-178.2-96000107.9P87 Q91P87-W89 PolarHBondContact O-N 3.03Å; W89-Q91 PolarHBondContact O-N 2.78Å; W89-Q91 VanDerWaalsContact O-N 3.16Å
90S57.8Low64.3Low26 Ų26124.1 Ų124.118%0.18265%0.652CS.*  trans48.636.9153.476.50000121.3K88 N92 K93 D94K88-S90 PolarHBondContact O-N 3.18Å; S90-N92 PolarHBondContact O-N 3.35Å; S90-N92 VanDerWaalsContact O-N 3.13Å; S90-K93 PolarHBondContact O-N 3.41Å; S90-D94 PolarHBondContact O-N 3.45Å
91Q60.3Low66.3Low146 Ų146125.3 Ų125.368%0.68264%0.642SS**Hα-helixtrans-53.1-30.5161.9-74.2-72.5-60.400112.7W89 R95W89-Q91 PolarHBondContact O-N 2.78Å; W89-Q91 VanDerWaalsContact O-N 3.16Å; Q91-R95 PolarHBondContact O-N 3.49Å; Q91-R95 VanDerWaalsContact O-N 3.16Å
92N63.6Low68.7Low93 Ų93122.6 Ų122.650%0.49763%0.626SS.*Hα-helixtrans-68.5-37.6176.3-70.1-24.6000112.9S90 R95 E96S90-N92 PolarHBondContact O-N 3.35Å; S90-N92 VanDerWaalsContact O-N 3.13Å; N92-R95 PolarHBondContact O-N 3.01Å; N92-R95 PolarHBondContact OD1-NH1 3.41Å; N92-R95 PolarHBondContact OD1-NH2 2.94Å; N92-E96 VanDerWaalsContact O-CG 3.24Å; N92-E96 WeakPolarHBondContact O-CG 3.45Å; N92-E96 PolarHBondContact O-N 2.93Å
93K72.4Confident70.7Confident143 Ų143122.2 Ų122.262%0.62261%0.613SS**Hα-helixtrans-74.1-34.4-179.8-59.7-175.3179.3179.10111.7S90 E96 F97S90-K93 PolarHBondContact O-N 3.41Å; K93-E96 PolarHBondContact O-N 2.9Å; K93-F97 WeakPolarHBondContact O-CB 3.45Å; K93-F97 PolarHBondContact O-N 3.46Å
94D82.8Confident73.3Confident96 Ų96120.4 Ų120.451%0.51360%0.603SS.*Hα-helixtrans-66.6-40.5174.9-69.4-12.7000111S90 F97 A98S90-D94 PolarHBondContact O-N 3.45Å; D94-F97 PolarHBondContact O-N 3.22Å; D94-A98 VanDerWaalsContact O-CB 3.25Å; D94-A98 WeakPolarHBondContact O-CB 3.42Å; D94-A98 PolarHBondContact O-N 3.41Å
95R87.8Confident75.9Confident161 Ų161121.1 Ų121.161%0.60860%0.595SS**Hα-helixtrans-63-42173-169.6174.472.9-116.70112Q91 N92 G99Q91-R95 PolarHBondContact O-N 3.49Å; Q91-R95 VanDerWaalsContact O-N 3.16Å; N92-R95 PolarHBondContact O-N 3.01Å; N92-R95 PolarHBondContact OD1-NH1 3.41Å; N92-R95 PolarHBondContact OD1-NH2 2.94Å; R95-G99 PolarHBondContact O-N 3.04Å
96E86.1Confident78.3Confident128 Ų128119.1 Ų119.160%0.59857%0.574SS**Hα-helixtrans-64.3-42.8175.7-73.7164.8-164.900112.1N92 K93 G99 K100N92-E96 VanDerWaalsContact O-CG 3.24Å; N92-E96 WeakPolarHBondContact O-CG 3.45Å; N92-E96 PolarHBondContact O-N 2.93Å; K93-E96 PolarHBondContact O-N 2.9Å; E96-G99 PolarHBondContact O-N 3.5Å; E96-K100 PolarHBondContact O-N 3.07Å
97F89.2Confident81Confident148 Ų148119.5 Ų119.565%0.64957%0.568SS**Hα-helixtrans-67-43.4177.5-173.3-96.9000111.8K93 D94 G99 K100 K101K93-F97 WeakPolarHBondContact O-CB 3.45Å; K93-F97 PolarHBondContact O-N 3.46Å; D94-F97 PolarHBondContact O-N 3.22Å; F97-G99 VanDerWaalsContact C-N 3.33Å; F97-G99 PolarHBondContact O-N 3.49Å; F97-K100 PolarHBondContact O-N 2.86Å; F97-K101 WeakPolarHBondContact O-CB 3.41Å; F97-K101 PolarHBondContact O-N 3.17Å
98A92.3Very high83.4Confident55 Ų55117.1 Ų117.146%0.45555%0.546SS..Hα-helixtrans-60.2-43.4173.400000111.3D94 K101 M102D94-A98 VanDerWaalsContact O-CB 3.25Å; D94-A98 WeakPolarHBondContact O-CB 3.42Å; D94-A98 PolarHBondContact O-N 3.41Å; A98-K101 PolarHBondContact O-N 3.44Å; A98-M102 VanDerWaalsContact O-CB 3.3Å; A98-M102 WeakPolarHBondContact O-CB 3.5Å; A98-M102 PolarHBondContact O-N 2.66Å
99G95.9Very high85.6Confident25 Ų25110.7 Ų110.726%0.25852%0.519SS..Hα-helixtrans-58.8-49.517400000112.2R95 E96 F97 K101 M102 Q103R95-G99 PolarHBondContact O-N 3.04Å; E96-G99 PolarHBondContact O-N 3.5Å; F97-G99 VanDerWaalsContact C-N 3.33Å; F97-G99 PolarHBondContact O-N 3.49Å; G99-K101 VanDerWaalsContact C-N 3.33Å; G99-K101 PolarHBondContact O-N 3.15Å; G99-M102 PolarHBondContact O-N 2.81Å; G99-Q103 VanDerWaalsContact O-CG 3.25Å; G99-Q103 WeakPolarHBondContact O-CG 3.38Å; G99-Q103 PolarHBondContact O-N 2.92Å
100K96.3Very high88.2Confident164 Ų164103 Ų10371%0.71350%0.497SS*.Hα-helixtrans-62.3-38.8177.7-172.9173.8-178.9173.50112.6E96 F97 H104E96-K100 PolarHBondContact O-N 3.07Å; F97-K100 PolarHBondContact O-N 2.86Å; K100-H104 PolarHBondContact O-N 2.83Å; K100-H104 VanDerWaalsContact O-N 3.08Å
101K96.2Very high90Very high141 Ų141108.9 Ų108.961%0.61352%0.516SS*.Hα-helixtrans-66.7-46.1176.8-174-178.7178.5-171.10111.5F97 A98 G99 Q103 H104 E105F97-K101 WeakPolarHBondContact O-CB 3.41Å; F97-K101 PolarHBondContact O-N 3.17Å; A98-K101 PolarHBondContact O-N 3.44Å; G99-K101 VanDerWaalsContact C-N 3.33Å; G99-K101 PolarHBondContact O-N 3.15Å; K101-Q103 VanDerWaalsContact C-N 3.34Å; K101-Q103 PolarHBondContact O-N 2.91Å; K101-H104 WeakPolarHBondContact O-CB 3.29Å; K101-H104 PolarHBondContact O-N 3.24Å; K101-E105 PolarHBondContact O-N 3.49Å
102M97.3Very high91.7Very high98 Ų98107.6 Ų107.648%0.48351%0.505SS..Hα-helixtrans-61.1-43.6176.1-177.7-173.573.100111.1A98 G99 H104 E105 I106A98-M102 VanDerWaalsContact O-CB 3.3Å; A98-M102 WeakPolarHBondContact O-CB 3.5Å; A98-M102 PolarHBondContact O-N 2.66Å; G99-M102 PolarHBondContact O-N 2.81Å; M102-H104 VanDerWaalsContact C-N 3.33Å; M102-H104 PolarHBondContact O-N 3.08Å; M102-E105 WeakPolarHBondContact O-CB 3.49Å; M102-E105 PolarHBondContact O-N 2.71Å; M102-E105 VanDerWaalsContact O-N 3.14Å; M102-I106 HydrophobicContact CG-CD1 4.12Å; M102-I106 WeakPolarHBondContact O-CG1 3.43Å; M102-I106 PolarHBondContact O-N 3.45Å
103Q97.3Very high93Very high95 Ų95108.2 Ų108.244%0.44451%0.505SS..Hα-helixtrans-58-47.2174.9-71-62.5-20.200110.9G99 K101 E105 I106 H107G99-Q103 VanDerWaalsContact O-CG 3.25Å; G99-Q103 WeakPolarHBondContact O-CG 3.38Å; G99-Q103 PolarHBondContact O-N 2.92Å; K101-Q103 VanDerWaalsContact C-N 3.34Å; K101-Q103 PolarHBondContact O-N 2.91Å; Q103-E105 VanDerWaalsContact C-N 3.31Å; Q103-E105 PolarHBondContact O-N 2.88Å; Q103-I106 PolarHBondContact O-N 3.03Å; Q103-H107 PolarHBondContact O-N 3.03Å; Q103-H107 VanDerWaalsContact O-N 3.15Å; Q103-H107 PolarHBondContact O-ND1 2.68Å
104H97.3Very high94Very high127 Ų127106.7 Ų106.759%0.58850%0.5SS*.Hα-helixtrans-58.1-42.9175.2179.3-77.4000112.4K100 K101 M102 H107 E108K100-H104 PolarHBondContact O-N 2.83Å; K100-H104 VanDerWaalsContact O-N 3.08Å; K101-H104 WeakPolarHBondContact O-CB 3.29Å; K101-H104 PolarHBondContact O-N 3.24Å; M102-H104 VanDerWaalsContact C-N 3.33Å; M102-H104 PolarHBondContact O-N 3.08Å; H104-H107 PolarHBondContact O-N 3.09Å; H104-E108 PolarHBondContact O-N 3.32Å; H104-E108 VanDerWaalsContact O-N 3.09Å
105E97.2Very high94.6Very high114 Ų114105.2 Ų105.253%0.53349%0.491SS..Hα-helixtrans-61-43.9177-174.6174.5-18000112.4K101 M102 Q103 H107 E108 E109K101-E105 PolarHBondContact O-N 3.49Å; M102-E105 WeakPolarHBondContact O-CB 3.49Å; M102-E105 PolarHBondContact O-N 2.71Å; M102-E105 VanDerWaalsContact O-N 3.14Å; Q103-E105 VanDerWaalsContact C-N 3.31Å; Q103-E105 PolarHBondContact O-N 2.88Å; E105-H107 VanDerWaalsContact C-N 3.32Å; E105-H107 PolarHBondContact O-N 3.25Å; E105-E108 PolarHBondContact O-N 3.39Å; E105-E109 WeakPolarHBondContact O-CB 3.47Å; E105-E109 PolarHBondContact O-N 3.15Å
106I97.3Very high94.8Very high80 Ų80100.2 Ų100.241%0.4148%0.477SS..Hα-helixtrans-58.7-43.4176.1-68.9165.5000111.2M102 Q103 E109 T110M102-I106 HydrophobicContact CG-CD1 4.12Å; M102-I106 WeakPolarHBondContact O-CG1 3.43Å; M102-I106 PolarHBondContact O-N 3.45Å; Q103-I106 PolarHBondContact O-N 3.03Å; I106-E109 PolarHBondContact O-N 3.27Å; I106-T110 WeakPolarHBondContact O-CB 3.35Å; I106-T110 PolarHBondContact O-N 3.26Å; I106-T110 PolarHBondContact O-OG1 3.46Å
107H97.5Very high95Very high118 Ų11896.5 Ų96.555%0.54646%0.462SS..Hα-helixtrans-66-41.6179.2-69.192.7000112Q103 H104 E105 T110 R111Q103-H107 PolarHBondContact O-N 3.03Å; Q103-H107 VanDerWaalsContact O-N 3.15Å; Q103-H107 PolarHBondContact O-ND1 2.68Å; H104-H107 PolarHBondContact O-N 3.09Å; E105-H107 VanDerWaalsContact C-N 3.32Å; E105-H107 PolarHBondContact O-N 3.25Å; H107-T110 PolarHBondContact O-N 2.87Å; H107-R111 PolarHBondContact O-N 2.59Å
108E97.5Very high95.1Very high71 Ų7196.8 Ų96.833%0.33246%0.464SS..Hα-helixtrans-70.2-36.9178.5-71.9-64.9110.600112.2H104 E105 R111 R112H104-E108 PolarHBondContact O-N 3.32Å; H104-E108 VanDerWaalsContact O-N 3.09Å; E105-E108 PolarHBondContact O-N 3.39Å; E108-R111 PolarHBondContact O-N 2.79Å; E108-R111 IonicContact OE1-CZ 3.33Å; E108-R111 IonicContact OE1-NE 3.71Å; E108-R111 PolarHBondContact OE1-NE 3.06Å; E108-R111 IonicContact OE1-NH2 3.1Å; E108-R111 PolarHBondContact OE1-NH2 2.71Å; E108-R112 PolarHBondContact O-N 3.09Å
109E95.3Very high95.2Very high68 Ų6899.5 Ų99.532%0.31847%0.469SS..Hα-helixtrans-64.7-45172.3-16765.1-114.500110.9E105 I106 R111 R112 E113E105-E109 WeakPolarHBondContact O-CB 3.47Å; E105-E109 PolarHBondContact O-N 3.15Å; I106-E109 PolarHBondContact O-N 3.27Å; E109-R111 VanDerWaalsContact C-N 3.28Å; E109-R111 PolarHBondContact O-N 3.22Å; E109-R112 WeakPolarHBondContact O-CB 3.37Å; E109-R112 PolarHBondContact O-N 2.97Å; E109-R112 VanDerWaalsContact O-N 3.08Å; E109-R112 IonicContact OE1-CZ 2.79Å; E109-R112 IonicContact OE1-NH1 3.18Å; E109-R112 PolarHBondContact OE1-NH1 3.21Å; E109-R112 IonicContact OE1-NH2 2.8Å; E109-R112 IonicContact OE2-CZ 2.66Å; E109-R112 IonicContact OE2-NH1 3.35Å; E109-R112 PolarHBondContact OE2-NH1 2.88Å; E109-R112 IonicContact OE2-NH2 2.81Å; E109-R112 PolarHBondContact OE2-NH2 3.43Å; E109-E113 WeakPolarHBondContact O-CG 3.31Å; E109-E113 PolarHBondContact O-N 2.85Å
110T94.5Very high94.8Very high65 Ų65101.4 Ų101.440%0.39949%0.489SS..Hα-helixtrans-58.5-41.5176.6-57.60000111.3I106 H107 E113 Q114I106-T110 WeakPolarHBondContact O-CB 3.35Å; I106-T110 PolarHBondContact O-N 3.26Å; I106-T110 PolarHBondContact O-OG1 3.46Å; H107-T110 PolarHBondContact O-N 2.87Å; T110-E113 PolarHBondContact O-N 3.3Å; T110-Q114 WeakPolarHBondContact O-CB 3.27Å; T110-Q114 VanDerWaalsContact O-CG 3.22Å; T110-Q114 WeakPolarHBondContact O-CG 3.42Å; T110-Q114 PolarHBondContact O-N 2.97Å
111R95.6Very high94.5Very high150 Ų150100.8 Ų100.857%0.56649%0.486SS*.Hα-helixtrans-62.7-45.6175.5-168.7-164.2-54-99.30.5111.2H107 E108 E109 Q114 D115H107-R111 PolarHBondContact O-N 2.59Å; E108-R111 PolarHBondContact O-N 2.79Å; E108-R111 IonicContact OE1-CZ 3.33Å; E108-R111 IonicContact OE1-NE 3.71Å; E108-R111 PolarHBondContact OE1-NE 3.06Å; E108-R111 IonicContact OE1-NH2 3.1Å; E108-R111 PolarHBondContact OE1-NH2 2.71Å; E109-R111 VanDerWaalsContact C-N 3.28Å; E109-R111 PolarHBondContact O-N 3.22Å; R111-Q114 WeakPolarHBondContact O-CB 3.34Å; R111-Q114 PolarHBondContact O-N 3.28Å; R111-D115 PolarHBondContact O-N 3.48Å
112R96.2Very high93.9Very high120 Ų12096.6 Ų96.645%0.45347%0.47SS..Hα-helixtrans-61.5-43.6177.2-78.5-170-83.3109.8-1112.1E108 E109 D115 L116E108-R112 PolarHBondContact O-N 3.09Å; E109-R112 WeakPolarHBondContact O-CB 3.37Å; E109-R112 PolarHBondContact O-N 2.97Å; E109-R112 VanDerWaalsContact O-N 3.08Å; E109-R112 IonicContact OE1-CZ 2.79Å; E109-R112 IonicContact OE1-NH1 3.18Å; E109-R112 PolarHBondContact OE1-NH1 3.21Å; E109-R112 IonicContact OE1-NH2 2.8Å; E109-R112 IonicContact OE2-CZ 2.66Å; E109-R112 IonicContact OE2-NH1 3.35Å; E109-R112 PolarHBondContact OE2-NH1 2.88Å; E109-R112 IonicContact OE2-NH2 2.81Å; E109-R112 PolarHBondContact OE2-NH2 3.43Å; R112-D115 PolarHBondContact O-N 2.8Å; R112-L116 WeakPolarHBondContact O-CG 3.21Å; R112-L116 PolarHBondContact O-N 2.82Å
113E91.4Very high93Very high106 Ų10696.4 Ų96.450%0.49548%0.476SS..Hα-helixtrans-60.1-46.7174.4-72.7-177.8178.100111.5E109 T110 D115 L116 V117E109-E113 WeakPolarHBondContact O-CG 3.31Å; E109-E113 PolarHBondContact O-N 2.85Å; T110-E113 PolarHBondContact O-N 3.3Å; E113-D115 VanDerWaalsContact C-N 3.27Å; E113-D115 PolarHBondContact O-N 3.35Å; E113-L116 PolarHBondContact O-N 2.99Å; E113-L116 VanDerWaalsContact O-N 3.15Å; E113-V117 VanDerWaalsContact O-CG2 3.3Å; E113-V117 WeakPolarHBondContact O-CG2 3.47Å; E113-V117 PolarHBondContact O-N 2.81Å
114Q93.1Very high92Very high111 Ų11193.8 Ų93.852%0.51947%0.474SS..Hα-helixtrans-57.6-40.6176.2-74.7-74.3-22.800112.1T110 R111 V117 K118T110-Q114 WeakPolarHBondContact O-CB 3.27Å; T110-Q114 VanDerWaalsContact O-CG 3.22Å; T110-Q114 WeakPolarHBondContact O-CG 3.42Å; T110-Q114 PolarHBondContact O-N 2.97Å; R111-Q114 WeakPolarHBondContact O-CB 3.34Å; R111-Q114 PolarHBondContact O-N 3.28Å; Q114-V117 WeakPolarHBondContact O-CB 3.3Å; Q114-V117 PolarHBondContact O-N 2.91Å; Q114-K118 WeakPolarHBondContact O-CG 3.42Å; Q114-K118 PolarHBondContact O-N 3.28Å
115D94.8Very high90.8Very high64 Ų6497.3 Ų97.334%0.34249%0.488SS..Hα-helixtrans-69-40.3177.2-67.9-20.4000111.6R111 R112 E113 V117 K118 I119R111-D115 PolarHBondContact O-N 3.48Å; R112-D115 PolarHBondContact O-N 2.8Å; E113-D115 VanDerWaalsContact C-N 3.27Å; E113-D115 PolarHBondContact O-N 3.35Å; D115-V117 VanDerWaalsContact C-N 3.28Å; D115-V117 PolarHBondContact O-N 2.86Å; D115-K118 PolarHBondContact O-N 3.31Å; D115-K118 IonicContact OD1-NZ 2.68Å; D115-K118 PolarHBondContact OD1-NZ 3.47Å; D115-I119 WeakPolarHBondContact O-CB 3.32Å; D115-I119 VanDerWaalsContact O-CD1 3.3Å; D115-I119 WeakPolarHBondContact O-CD1 3.15Å; D115-I119 WeakPolarHBondContact O-CG1 3.38Å; D115-I119 PolarHBondContact O-N 3.03Å
116L92.4Very high89.6Confident57 Ų5799.2 Ų99.230%0.29849%0.492SS..Hα-helixtrans-62.2-35.8173.6-69.5172.2000112.5R112 E113 I119 G120 K121 I122R112-L116 WeakPolarHBondContact O-CG 3.21Å; R112-L116 PolarHBondContact O-N 2.82Å; E113-L116 PolarHBondContact O-N 2.99Å; E113-L116 VanDerWaalsContact O-N 3.15Å; L116-I119 PolarHBondContact O-N 3.04Å; L116-G120 PolarHBondContact O-N 3.39Å; L116-G120 VanDerWaalsContact O-N 3.14Å; L116-K121 HydrophobicContact CB-CB 4.46Å; L116-K121 HydrophobicContact CD2-CB 4.2Å; L116-K121 HydrophobicContact CD2-CD 3.68Å; L116-K121 PolarHBondContact O-N 2.69Å; L116-I122 HydrophobicContact CB-CD1 3.83Å; L116-I122 HydrophobicContact CB-CG1 4.07Å; L116-I122 HydrophobicContact CD1-CD1 3.59Å; L116-I122 HydrophobicContact CG-CD1 4.32Å
117V91.6Very high88.7Confident49 Ų49102.2 Ų102.230%0.29751%0.508SS..Hα-helixtrans-65-46.8173.7167.60000111.1E113 Q114 D115 I119 G120 I122 G124E113-V117 VanDerWaalsContact O-CG2 3.3Å; E113-V117 WeakPolarHBondContact O-CG2 3.47Å; E113-V117 PolarHBondContact O-N 2.81Å; Q114-V117 WeakPolarHBondContact O-CB 3.3Å; Q114-V117 PolarHBondContact O-N 2.91Å; D115-V117 VanDerWaalsContact C-N 3.28Å; D115-V117 PolarHBondContact O-N 2.86Å; V117-I119 VanDerWaalsContact C-N 3.27Å; V117-I119 PolarHBondContact O-N 2.9Å; V117-G120 WeakPolarHBondContact O-CA 3.3Å; V117-G120 PolarHBondContact O-N 3.14Å; V117-I122 HydrophobicContact CG2-CB 4.45Å; V117-G124 VanDerWaalsContact CG1-CA 3.4Å; V117-G124 VanDerWaalsContact CG2-CA 3.5Å
118K91.2Very high87.9Confident155 Ų155104.9 Ų104.967%0.67452%0.518SS*.Hα-helixtrans-61.7-36.1176.3-69.4169.8-166163.60112.5Q114 D115 G120Q114-K118 WeakPolarHBondContact O-CG 3.42Å; Q114-K118 PolarHBondContact O-N 3.28Å; D115-K118 PolarHBondContact O-N 3.31Å; D115-K118 IonicContact OD1-NZ 2.68Å; D115-K118 PolarHBondContact OD1-NZ 3.47Å; K118-G120 PolarHBondContact O-N 2.94Å
119I92.9Very high87.2Confident111 Ų111102.7 Ų102.757%0.56952%0.515SS*.THydrogen-bonded Turntrans-76.6-7176.8-59.9160.4000111.1D115 L116 V117 K121D115-I119 WeakPolarHBondContact O-CB 3.32Å; D115-I119 VanDerWaalsContact O-CD1 3.3Å; D115-I119 WeakPolarHBondContact O-CD1 3.15Å; D115-I119 WeakPolarHBondContact O-CG1 3.38Å; D115-I119 PolarHBondContact O-N 3.03Å; L116-I119 PolarHBondContact O-N 3.04Å; V117-I119 VanDerWaalsContact C-N 3.27Å; V117-I119 PolarHBondContact O-N 2.9Å; I119-K121 VanDerWaalsContact C-N 3.29Å; I119-K121 HydrophobicContact CG2-CD 4.11Å; I119-K121 HydrophobicContact CG2-CG 4.04Å; I119-K121 PolarHBondContact O-N 3.42Å
120G89.1Confident86.9Confident65 Ų65104 Ų10467%0.6753%0.527SS*.THydrogen-bonded Turntrans74.914.7178.800000114.3L116 V117 K118L116-G120 PolarHBondContact O-N 3.39Å; L116-G120 VanDerWaalsContact O-N 3.14Å; V117-G120 WeakPolarHBondContact O-CA 3.3Å; V117-G120 PolarHBondContact O-N 3.14Å; K118-G120 PolarHBondContact O-N 2.94Å
121K89.2Confident86.6Confident152 Ų152106.7 Ų106.766%0.66154%0.543SS*.SBendtrans-78.5-25178.2-73.1179.6176.5-177.90112.9L116 I119L116-K121 HydrophobicContact CB-CB 4.46Å; L116-K121 HydrophobicContact CD2-CB 4.2Å; L116-K121 HydrophobicContact CD2-CD 3.68Å; L116-K121 PolarHBondContact O-N 2.69Å; I119-K121 VanDerWaalsContact C-N 3.29Å; I119-K121 HydrophobicContact CG2-CD 4.11Å; I119-K121 HydrophobicContact CG2-CG 4.04Å; I119-K121 PolarHBondContact O-N 3.42Å
122I82.9Confident86.2Confident53 Ų53108 Ų10827%0.27255%0.549SS..SBendtrans-133135.4-179-57.8179.7000108.6L116 V117 G124 Y126L116-I122 HydrophobicContact CB-CD1 3.83Å; L116-I122 HydrophobicContact CB-CG1 4.07Å; L116-I122 HydrophobicContact CD1-CD1 3.59Å; L116-I122 HydrophobicContact CG-CD1 4.32Å; V117-I122 HydrophobicContact CG2-CB 4.45Å; I122-G124 PolarHBondContact O-N 3.22Å; I122-G124 VanDerWaalsContact O-N 3.17Å; I122-Y126 HydrophobicContact CG2-CE2 4.15Å; I122-Y126 WeakPolarHBondContact CG2-OH 3.39Å
123P79.7Confident86Confident94 Ų94106.9 Ų106.961%0.6155%0.549SS*.  trans-58.2116.6170.9-23.634.3000111.1F125 Y126P123-F125 VanDerWaalsContact C-N 3.26Å; P123-F125 PolarHBondContact O-N 3.49Å; P123-Y126 WeakPolarHBondContact O-CE2 3.41Å
124G74.5Confident86Confident39 Ų39106.3 Ų106.340%0.40255%0.548SS..SBendtrans-73.9-8.6-174.900000116.4V117 I122V117-G124 VanDerWaalsContact CG1-CA 3.4Å; V117-G124 VanDerWaalsContact CG2-CA 3.5Å; I122-G124 PolarHBondContact O-N 3.22Å; I122-G124 VanDerWaalsContact O-N 3.17Å
125F73.7Confident85.9Confident201 Ų201108.2 Ų108.288%0.88255%0.554SS**  trans-117.591.7-176.4-61.5-80.8000109.5P123P123-F125 VanDerWaalsContact C-N 3.26Å; P123-F125 PolarHBondContact O-N 3.49Å
126Y71.6Confident85.9Confident155 Ų155109 Ų10961%0.60856%0.556SS**  trans-90.2109.5162.4-67.4-77.5000108.3I122 P123 K128I122-Y126 HydrophobicContact CG2-CE2 4.15Å; I122-Y126 WeakPolarHBondContact CG2-OH 3.39Å; P123-Y126 WeakPolarHBondContact O-CE2 3.41Å; Y126-K128 PolarHBondContact O-N 3.08Å; Y126-K128 VanDerWaalsContact O-N 3.08Å
127D78.6Confident85.9Confident143 Ų143115.7 Ų115.777%0.76558%0.577SS**  trans-65.6106.8169.1-179.515000108.5G129D127-G129 PolarHBondContact O-N 2.9Å; D127-G129 WeakPolarHBondContact OD1-CA 3.46Å; D127-G129 PolarHBondContact OD1-N 3Å
128K80.9Confident86Confident174 Ų174120.3 Ų120.376%0.75759%0.593SS**  trans-74.6-3.1179.4-53.2-170.4-164.9-66.40111.5Y126 I134Y126-K128 PolarHBondContact O-N 3.08Å; Y126-K128 VanDerWaalsContact O-N 3.08Å; K128-I134 WeakPolarHBondContact O-CD1 3.43Å
129G82.8Confident86.1Confident25 Ų25118.7 Ų118.726%0.25859%0.588SS.*  trans72.1156-175.900000111.9D127 Q133D127-G129 PolarHBondContact O-N 2.9Å; D127-G129 WeakPolarHBondContact OD1-CA 3.46Å; D127-G129 PolarHBondContact OD1-N 3Å; G129-Q133 VanDerWaalsContact CA-OE1 3.24Å
130T88.4Confident86.2Confident94 Ų94119.1 Ų119.158%0.57759%0.591SS**  trans-66.8149.3169.7-57.80000109.5R132 Q133 I134T130-R132 HydrophobicContact CG2-CB 4.3Å; T130-R132 PolarHBondContact O-N 2.85Å; T130-Q133 WeakPolarHBondContact O-CA 3.44Å; T130-Q133 WeakPolarHBondContact O-CB 3.43Å; T130-Q133 PolarHBondContact O-N 3.42Å; T130-I134 PolarHBondContact O-N 3.32Å
131V88.2Confident86.3Confident122 Ų122122.1 Ų122.174%0.73959%0.586SS**Hα-helixtrans-47.3-37.5176.41780000112.3I134 K135V131-I134 PolarHBondContact O-N 3.28Å; V131-K135 PolarHBondContact O-N 3.47Å
132R87.6Confident86.4Confident178 Ų178120 Ų12067%0.67258%0.578SS**Hα-helixtrans-62-46.5174.8-175.3178.4165.1-160.4-5.8112.9T130 I134 K135 E136T130-R132 HydrophobicContact CG2-CB 4.3Å; T130-R132 PolarHBondContact O-N 2.85Å; R132-I134 VanDerWaalsContact C-N 3.33Å; R132-I134 PolarHBondContact O-N 3.06Å; R132-K135 WeakPolarHBondContact O-CB 3.49Å; R132-K135 PolarHBondContact O-N 2.85Å; R132-E136 WeakPolarHBondContact CG-OE1 3.38Å; R132-E136 IonicContact CZ-OE1 3.39Å; R132-E136 IonicContact NE-OE1 3.33Å; R132-E136 PolarHBondContact NE-OE1 3.25Å; R132-E136 IonicContact NH2-OE1 3.5Å; R132-E136 PolarHBondContact NH2-OE1 3.12Å; R132-E136 VanDerWaalsContact NH2-OE1 3.14Å; R132-E136 WeakPolarHBondContact O-CG 3.45Å; R132-E136 PolarHBondContact O-N 3.08Å
133Q90.9Very high86.7Confident97 Ų97120.2 Ų120.245%0.45358%0.582SS.*Hα-helixtrans-65.2-38.3177.6-67.6170.8-34.200111.4G129 T130 K135 E136 R137G129-Q133 VanDerWaalsContact CA-OE1 3.24Å; T130-Q133 WeakPolarHBondContact O-CA 3.44Å; T130-Q133 WeakPolarHBondContact O-CB 3.43Å; T130-Q133 PolarHBondContact O-N 3.42Å; Q133-K135 VanDerWaalsContact C-N 3.32Å; Q133-K135 PolarHBondContact O-N 3.47Å; Q133-E136 PolarHBondContact O-N 2.88Å; Q133-R137 WeakPolarHBondContact O-CB 3.43Å; Q133-R137 PolarHBondContact O-N 2.97Å
134I91.6Very high87.1Confident94 Ų94120.5 Ų120.548%0.48258%0.578SS.*Hα-helixtrans-61.9-43.3174.6-59.2172.1000110K128 T130 V131 R132 K138K128-I134 WeakPolarHBondContact O-CD1 3.43Å; T130-I134 PolarHBondContact O-N 3.32Å; V131-I134 PolarHBondContact O-N 3.28Å; R132-I134 VanDerWaalsContact C-N 3.33Å; R132-I134 PolarHBondContact O-N 3.06Å; I134-K138 WeakPolarHBondContact O-CB 3.35Å; I134-K138 PolarHBondContact O-N 3.48Å
135K91.8Very high87.2Confident150 Ų150122.7 Ų122.765%0.65258%0.578SS**Hα-helixtrans-65-47.5177.6-173.9-179.2178.3-177.10112.1V131 R132 Q133 R137 K138 Q139V131-K135 PolarHBondContact O-N 3.47Å; R132-K135 WeakPolarHBondContact O-CB 3.49Å; R132-K135 PolarHBondContact O-N 2.85Å; Q133-K135 VanDerWaalsContact C-N 3.32Å; Q133-K135 PolarHBondContact O-N 3.47Å; K135-R137 VanDerWaalsContact C-N 3.34Å; K135-R137 PolarHBondContact O-N 3.06Å; K135-K138 PolarHBondContact O-N 3.47Å; K135-Q139 WeakPolarHBondContact O-CB 3.38Å; K135-Q139 PolarHBondContact O-N 3.14Å
136E93.3Very high87.2Confident82 Ų82117.9 Ų117.938%0.38356%0.561SS.*Hα-helixtrans-60.4-44.5177.5-72.6170.5-177.600110.8R132 Q133 K138 Q139 L140R132-E136 WeakPolarHBondContact CG-OE1 3.38Å; R132-E136 IonicContact CZ-OE1 3.39Å; R132-E136 IonicContact NE-OE1 3.33Å; R132-E136 PolarHBondContact NE-OE1 3.25Å; R132-E136 IonicContact NH2-OE1 3.5Å; R132-E136 PolarHBondContact NH2-OE1 3.12Å; R132-E136 VanDerWaalsContact NH2-OE1 3.14Å; R132-E136 WeakPolarHBondContact O-CG 3.45Å; R132-E136 PolarHBondContact O-N 3.08Å; Q133-E136 PolarHBondContact O-N 2.88Å; E136-K138 PolarHBondContact O-N 3.48Å; E136-Q139 WeakPolarHBondContact O-CB 3.47Å; E136-Q139 PolarHBondContact O-N 2.82Å; E136-L140 WeakPolarHBondContact O-CG 3.18Å; E136-L140 PolarHBondContact O-N 3.28Å
137R93.6Very high87Confident196 Ų196116.5 Ų116.574%0.7456%0.56SS**Hα-helixtrans-66.7-36.2177.5-172.9162.6144.286.4-3.3112.9Q133 K135 L140 F141Q133-R137 WeakPolarHBondContact O-CB 3.43Å; Q133-R137 PolarHBondContact O-N 2.97Å; K135-R137 VanDerWaalsContact C-N 3.34Å; K135-R137 PolarHBondContact O-N 3.06Å; R137-L140 PolarHBondContact O-N 2.9Å; R137-F141 PolarHBondContact O-N 3.48Å
138K93.3Very high85.9Confident146 Ų146114.1 Ų114.164%0.63555%0.551SS**Hα-helixtrans-63.5-44171.2-176.8-178.5172.7-176.80111.3I134 K135 E136 L140 F141 E142I134-K138 WeakPolarHBondContact O-CB 3.35Å; I134-K138 PolarHBondContact O-N 3.48Å; K135-K138 PolarHBondContact O-N 3.47Å; E136-K138 PolarHBondContact O-N 3.48Å; K138-L140 VanDerWaalsContact C-N 3.34Å; K138-L140 PolarHBondContact O-N 2.89Å; K138-F141 PolarHBondContact O-N 3.43Å; K138-E142 WeakPolarHBondContact O-CB 3.45Å; K138-E142 PolarHBondContact O-N 2.8Å
139Q94.1Very high84.6Confident121 Ų121110.8 Ų110.857%0.56555%0.55SS*.Hα-helixtrans-62.6-41.3177.8-174176.1-8.400111.5K135 E136 E142 T143K135-Q139 WeakPolarHBondContact O-CB 3.38Å; K135-Q139 PolarHBondContact O-N 3.14Å; E136-Q139 WeakPolarHBondContact O-CB 3.47Å; E136-Q139 PolarHBondContact O-N 2.82Å; Q139-E142 PolarHBondContact O-N 2.88Å; Q139-T143 WeakPolarHBondContact O-CG2 3.48Å; Q139-T143 PolarHBondContact O-N 3.21Å; Q139-T143 PolarHBondContact O-OG1 2.85Å; Q139-T143 VanDerWaalsContact O-OG1 3.05Å
140L93.9Very high83.3Confident120 Ų120113.7 Ų113.763%0.62857%0.571SS**Hα-helixtrans-62.7-39.7174.2-70.8173.6000112.9E136 R137 K138 T143 L144E136-L140 WeakPolarHBondContact O-CG 3.18Å; E136-L140 PolarHBondContact O-N 3.28Å; R137-L140 PolarHBondContact O-N 2.9Å; K138-L140 VanDerWaalsContact C-N 3.34Å; K138-L140 PolarHBondContact O-N 2.89Å; L140-T143 WeakPolarHBondContact CA-OG1 3.45Å; L140-T143 PolarHBondContact O-OG1 3.21Å; L140-L144 VanDerWaalsContact O-CB 3.31Å; L140-L144 WeakPolarHBondContact O-CB 3.28Å; L140-L144 PolarHBondContact O-N 2.99Å
141F91.1Very high81.6Confident128 Ų128117.7 Ų117.756%0.56158%0.58SS**Hα-helixtrans-67.1-42.3176.7179-101.8000111.7R137 K138 L144 Q145R137-F141 PolarHBondContact O-N 3.48Å; K138-F141 PolarHBondContact O-N 3.43Å; F141-L144 PolarHBondContact O-N 2.66Å; F141-Q145 HydrophobicContact CD1-CG 4.21Å; F141-Q145 HydrophobicContact CE1-CG 3.88Å; F141-Q145 HydrophobicContact CE2-CG 4.26Å; F141-Q145 HydrophobicContact CZ-CG 3.92Å; F141-Q145 WeakPolarHBondContact O-CB 3.38Å; F141-Q145 WeakPolarHBondContact O-CG 3.49Å; F141-Q145 PolarHBondContact O-N 3.31Å
142E92.1Very high79.8Confident108 Ų108115.8 Ų115.851%0.50559%0.586SS.*Hα-helixtrans-65.3-43.2177.8-175.3165.5-155.600112K138 Q139 Q145 N146K138-E142 WeakPolarHBondContact O-CB 3.45Å; K138-E142 PolarHBondContact O-N 2.8Å; Q139-E142 PolarHBondContact O-N 2.88Å; E142-Q145 PolarHBondContact O-N 3.41Å; E142-N146 WeakPolarHBondContact O-CB 3.36Å; E142-N146 PolarHBondContact O-N 3.32Å; E142-N146 PolarHBondContact O-ND2 2.73Å
143T88.9Confident77.8Confident57 Ų57113.5 Ų113.535%0.3559%0.586SS.*Hα-helixtrans-64.9-40.3175.252.10000112.1Q139 L140 N146 Q147Q139-T143 WeakPolarHBondContact O-CG2 3.48Å; Q139-T143 PolarHBondContact O-N 3.21Å; Q139-T143 PolarHBondContact O-OG1 2.85Å; Q139-T143 VanDerWaalsContact O-OG1 3.05Å; L140-T143 WeakPolarHBondContact CA-OG1 3.45Å; L140-T143 PolarHBondContact O-OG1 3.21Å; T143-N146 PolarHBondContact O-N 3.14Å; T143-Q147 WeakPolarHBondContact O-CB 3.3Å; T143-Q147 VanDerWaalsContact O-CG 3.24Å; T143-Q147 WeakPolarHBondContact O-CG 3.36Å; T143-Q147 PolarHBondContact O-N 3.35Å
144L87.3Confident75.9Confident100 Ų100116 Ų11652%0.52460%0.603SS.*Hα-helixtrans-61.9-44.6175.7-17664.6000111.7L140 F141 N146 Q147 T148L140-L144 VanDerWaalsContact O-CB 3.31Å; L140-L144 WeakPolarHBondContact O-CB 3.28Å; L140-L144 PolarHBondContact O-N 2.99Å; F141-L144 PolarHBondContact O-N 2.66Å; L144-N146 VanDerWaalsContact C-N 3.31Å; L144-N146 PolarHBondContact O-N 3.49Å; L144-Q147 PolarHBondContact O-N 2.88Å; L144-T148 WeakPolarHBondContact O-CG2 3.25Å; L144-T148 PolarHBondContact O-N 2.96Å; L144-T148 VanDerWaalsContact O-N 3.1Å
145Q77.4Confident73.8Confident86 Ų86121.7 Ų121.740%0.40262%0.618SS.*Hα-helixtrans-59.9-43.7175.6-68.9-85.962.600111.1F141 E142 T148 S149F141-Q145 HydrophobicContact CD1-CG 4.21Å; F141-Q145 HydrophobicContact CE1-CG 3.88Å; F141-Q145 HydrophobicContact CE2-CG 4.26Å; F141-Q145 HydrophobicContact CZ-CG 3.92Å; F141-Q145 WeakPolarHBondContact O-CB 3.38Å; F141-Q145 WeakPolarHBondContact O-CG 3.49Å; F141-Q145 PolarHBondContact O-N 3.31Å; E142-Q145 PolarHBondContact O-N 3.41Å; Q145-T148 PolarHBondContact O-N 3.01Å; Q145-T148 PolarHBondContact O-OG1 2.99Å; Q145-S149 PolarHBondContact O-N 3.05Å
146N74.9Confident71.7Confident100 Ų100120.7 Ų120.754%0.53563%0.63SS.*Hα-helixtrans-70.4-32179.8-64.3-18.2000112.4E142 T143 L144 S149 A150E142-N146 WeakPolarHBondContact O-CB 3.36Å; E142-N146 PolarHBondContact O-N 3.32Å; E142-N146 PolarHBondContact O-ND2 2.73Å; T143-N146 PolarHBondContact O-N 3.14Å; L144-N146 VanDerWaalsContact C-N 3.31Å; L144-N146 PolarHBondContact O-N 3.49Å; N146-S149 PolarHBondContact O-N 3.24Å; N146-A150 PolarHBondContact O-N 3.49Å
147Q65.6Low69.8Low125 Ų125119.7 Ų119.758%0.58464%0.642SS**Hα-helixtrans-69.3-37.6175.3-75.9177.116.900112.9T143 L144 S149 A150 K151T143-Q147 WeakPolarHBondContact O-CB 3.3Å; T143-Q147 VanDerWaalsContact O-CG 3.24Å; T143-Q147 WeakPolarHBondContact O-CG 3.36Å; T143-Q147 PolarHBondContact O-N 3.35Å; L144-Q147 PolarHBondContact O-N 2.88Å; Q147-S149 PolarHBondContact O-N 3.47Å; Q147-A150 PolarHBondContact O-N 2.91Å; Q147-A150 VanDerWaalsContact O-N 3.14Å; Q147-K151 PolarHBondContact O-N 2.8Å
148T55.5Low67.7Low94 Ų94118.7 Ų118.758%0.57765%0.65SS**Hα-helixtrans-66.6-16.9173.462.10000113.5L144 Q145L144-T148 WeakPolarHBondContact O-CG2 3.25Å; L144-T148 PolarHBondContact O-N 2.96Å; L144-T148 VanDerWaalsContact O-N 3.1Å; Q145-T148 PolarHBondContact O-N 3.01Å; Q145-T148 PolarHBondContact O-OG1 2.99Å
149S54.4Low65.6Low104 Ų104121.4 Ų121.473%0.72766%0.656SS**Hα-helixtrans-91.9-14.9173.8-169.50000113.5Q145 N146 Q147Q145-S149 PolarHBondContact O-N 3.05Å; N146-S149 PolarHBondContact O-N 3.24Å; Q147-S149 PolarHBondContact O-N 3.47Å
150A55.8Low63.5Low85 Ų85118.1 Ų118.170%0.70266%0.655SS**Hα-helixtrans-103.7-14.7-173.400000114.3N146 Q147N146-A150 PolarHBondContact O-N 3.49Å; Q147-A150 PolarHBondContact O-N 2.91Å; Q147-A150 VanDerWaalsContact O-N 3.14Å
151K52.6Low61.5Low178 Ų178118.5 Ų118.577%0.77467%0.665SS**SBendtrans-110.4106.3164.6-71.8-171.7178.3-175.40107.7Q147 L153Q147-K151 PolarHBondContact O-N 2.8Å; K151-L153 VanDerWaalsContact C-N 3.32Å; K151-L153 PolarHBondContact O-N 2.93Å
152G50.5Low59.4Low83 Ų83119.3 Ų119.386%0.85667%0.668SS**  trans-56.895.6172.100000110.2
153L45.5Very low57.3Low130 Ų130122.6 Ų122.668%0.68169%0.688SS**  trans-137110.2156.9-175.962.6000106.6K151 R155K151-L153 VanDerWaalsContact C-N 3.32Å; K151-L153 PolarHBondContact O-N 2.93Å; L153-R155 PolarHBondContact O-N 3.21Å
154D50Low55.5Low150 Ų150124.9 Ų124.980%0.80271%0.707SS**  trans-59.8100.7-172.9-46.7-45.4000110
155R47.4Very low53.4Low213 Ų213129.7 Ų129.780%0.80473%0.726SS**  trans-119.970.2160.2-69.5-168.7-172-96.92.5108.8L153 G157L153-R155 PolarHBondContact O-N 3.21Å; R155-G157 PolarHBondContact O-N 2.92Å
156S49Very low52.1Low128 Ų128128.6 Ų128.690%0.89574%0.738SS**THydrogen-bonded Turntrans-67.175.4158.346.50000109.2
157G53.6Low51Low61 Ų61131.3 Ų131.363%0.62976%0.758SS**THydrogen-bonded Turntrans-157.6-19179.500000117.6R155R155-G157 PolarHBondContact O-N 2.92Å
158L49.6Very low50.5Low176 Ų176129 Ų12992%0.92177%0.769SS**  trans-12820.1-177.5-64.4175.2000113.7G160L158-G160 PolarHBondContact O-N 2.96Å; L158-G160 VanDerWaalsContact O-N 3.14Å
159R48.4Very low50.3Low202 Ų202130.4 Ų130.476%0.76278%0.781SS**  trans-81.994.3174.5-163165-163.4-104.87.7109.2
160G49.9Very low50.4Low52 Ų52133.9 Ų133.954%0.53679%0.785SS.*PPolyproline II helixtrans-56145.2164.600000110.6L158 K162L158-G160 PolarHBondContact O-N 2.96Å; L158-G160 VanDerWaalsContact O-N 3.14Å; G160-K162 PolarHBondContact O-N 3.48Å; G160-K162 VanDerWaalsContact O-N 3.14Å
161P52.5Low50.5Low128 Ų128136.4 Ų136.483%0.83179%0.785SS**PPolyproline II helixtrans-61.4117.7-174.1-20.131.2000111.3
162K46.5Very low50.9Low145 Ų145134.8 Ų134.863%0.6378%0.784SS**PPolyproline II helixtrans-77.4120.5162.9-77.5-171.9171.4179.10107.2G160 S164G160-K162 PolarHBondContact O-N 3.48Å; G160-K162 VanDerWaalsContact O-N 3.14Å; K162-S164 VanDerWaalsContact C-N 3.29Å; K162-S164 PolarHBondContact O-N 3.3Å
163L48.1Very low51.5Low178 Ų178137.1 Ų137.193%0.93278%0.775SS**  trans-7189.2170.9-58.9174.7000108
164S50.5Low52.2Low105 Ų105138.3 Ų138.373%0.73478%0.781SS**  trans-111.5125.3156.557.70000107.9K162K162-S164 VanDerWaalsContact C-N 3.29Å; K162-S164 PolarHBondContact O-N 3.3Å
165E44.8Very low52.4Low201 Ų201138.5 Ų138.594%0.93978%0.777SS**  trans-48.6137.7-179.8-168.3168.1-175.800113.7
166G49.8Very low52.5Low62 Ų62135 Ų13564%0.63977%0.774SS**SBendtrans107.594157.400000117.1
167T50.8Low52.6Low157 Ų157132.1 Ų132.196%0.96375%0.754SS**SBendtrans73.7108.11569.70000118.4
168G55.3Low52.2Low78 Ų78140 Ų14080%0.80477%0.765SS**  trans103.145.2157.300000116.9Q170G168-Q170 PolarHBondContact O-N 2.91Å
169C51.1Low51.9Low123 Ų123137.6 Ų137.683%0.83176%0.758SS**  trans-83.6106.5168.7-67.60000110.3I171C169-I171 PolarHBondContact O-N 3.33Å; C169-I171 VanDerWaalsContact O-N 3.17Å
170Q57.6Low51.8Low177 Ų177135.5 Ų135.583%0.82776%0.76SS**  trans-67.1107.2165.7-169.276.427.600108.3G168 I172G168-Q170 PolarHBondContact O-N 2.91Å; Q170-I172 PolarHBondContact O-N 2.85Å
171I56.9Low51.3Low137 Ų137138.9 Ų138.970%0.70377%0.773SS**  trans-72.4110.3172.3-55.3180000107.1C169 I173C169-I171 PolarHBondContact O-N 3.33Å; C169-I171 VanDerWaalsContact O-N 3.17Å; I171-I173 HydrophobicContact CG2-CD1 4.38Å; I171-I173 HydrophobicContact CG2-CG1 3.66Å; I171-I173 PolarHBondContact O-N 3.39Å
172I61.8Low50.5Low144 Ų144137.3 Ų137.374%0.73877%0.77SS**  trans-83.996168.9-56175.2000106.9Q170 I174Q170-I172 PolarHBondContact O-N 2.85Å; I172-I174 HydrophobicContact CG2-CG1 4.19Å; I172-I174 PolarHBondContact O-N 2.89Å
173I62.9Low50.1Low133 Ų133137.9 Ų137.968%0.68278%0.775SS**  trans-81.1108.6168.1-55.6178.9000106.5I171 E175I171-I173 HydrophobicContact CG2-CD1 4.38Å; I171-I173 HydrophobicContact CG2-CG1 3.66Å; I171-I173 PolarHBondContact O-N 3.39Å; I173-E175 VanDerWaalsContact C-N 3.28Å; I173-E175 HydrophobicContact CG2-CB 4.32Å; I173-E175 PolarHBondContact O-N 3.37Å; I173-E175 VanDerWaalsContact O-N 3.07Å
174I59.8Low49.8Very low154 Ų154138 Ų13879%0.7977%0.768SS**  trans-7986.7167.5-56.5176.4000106.6I172 N176I172-I174 HydrophobicContact CG2-CG1 4.19Å; I172-I174 PolarHBondContact O-N 2.89Å; I174-N176 PolarHBondContact O-N 2.85Å
175E53.4Low49.2Very low154 Ų154140 Ų14072%0.7277%0.766SS**  trans-81.5100.7172.6-166.5178.7-176.300108.8I173 S177I173-E175 VanDerWaalsContact C-N 3.28Å; I173-E175 HydrophobicContact CG2-CB 4.32Å; I173-E175 PolarHBondContact O-N 3.37Å; I173-E175 VanDerWaalsContact O-N 3.07Å; E175-S177 VanDerWaalsContact C-N 3.33Å; E175-S177 PolarHBondContact O-N 3.35Å
176N51Low48.7Very low140 Ų140139.9 Ų139.975%0.74976%0.758SS**  trans-84.978.5167.9-17646000108.9I174I174-N176 PolarHBondContact O-N 2.85Å
177S50.9Low48.2Very low68 Ų68147.1 Ų147.148%0.47677%0.772SS.*  trans-9498.9174.451.40000110.3E175 T179E175-S177 VanDerWaalsContact C-N 3.33Å; E175-S177 PolarHBondContact O-N 3.35Å; S177-T179 PolarHBondContact O-N 3Å
178R44.9Very low47.3Very low226 Ų226144.5 Ų144.585%0.85377%0.766SS**  trans-60.5108.1156.1-67.8-178.1179.5-166.5-0.2106.7
179T42.3Very low46.6Very low126 Ų126150.7 Ų150.777%0.77377%0.771SS**  trans-68.9127.1-179.544.50000110.5S177S177-T179 PolarHBondContact O-N 3Å
180I46.2Very low45.9Very low157 Ų157149.8 Ų149.881%0.80577%0.772SS**  trans-108.8123.7156.9-58.4177000106A182I180-A182 PolarHBondContact O-N 3.06Å
181P40.8Very low44.7Very low124 Ų124149.8 Ų149.881%0.80577%0.772SS**  trans-76.5114.6-179.8-5.822.1000110.3
182A35.6Very low43.5Very low94 Ų94148.2 Ų148.278%0.77778%0.78SS**  trans-88.2109.216800000110.1I180 K184I180-A182 PolarHBondContact O-N 3.06Å; A182-K184 PolarHBondContact O-N 3.23Å
183Q37.1Very low42.2Very low157 Ų157150.5 Ų150.573%0.73478%0.784SS**  trans-63114.2173.7-175.8173.3-40.900110.6H185Q183-H185 PolarHBondContact NE2-NE2 3.31Å
184K42.7Very low40.6Very low180 Ų180149 Ų14978%0.78379%0.792SS**PPolyproline II helixtrans-89.3118.3173-69.2-176.9-179.2178.20109.7A182A182-K184 PolarHBondContact O-N 3.23Å
185H36.8Very low39.3Very low149 Ų149147.1 Ų147.169%0.6979%0.792SS**PPolyproline II helixtrans-91.2121.5163-74.6-78.9000110.2Q183Q183-H185 PolarHBondContact NE2-NE2 3.31Å
186Y35.3Very low39Very low197 Ų197145.8 Ų145.877%0.77380%0.797SS**PPolyproline II helixtrans-68.8143164.6-4.1-93000109.4
187K38.2Very low37.9Very low215 Ų215143.3 Ų143.394%0.93580%0.796SS**  trans-144.1140139.6-81-133.1173.7-166.70112.5
188A33.8Very low37Very low102 Ų102147.4 Ų147.484%0.84381%0.812SS**  trans-83.3169-170.400000113.3
189K40Very low36.1Very low207 Ų207144.7 Ų144.790%0.981%0.809SS**  trans-54.7153174.7-71.3178.9171.2-177.40113.7
190A35.3Very low35.4Very low105 Ų105143.6 Ų143.687%0.86880%0.802SS**  trans-139.9132.9144.800000109.7
191E33.8Very low34.6Very low176 Ų176144.2 Ų144.282%0.82280%0.802SS**  trans-102.4136.5176.9175.4-177.5-176.700107.6
192A31.1Very low34.4Very low104 Ų104147.9 Ų147.986%0.8681%0.805SS**  trans-162.4138.8159.200000110.9
193K34.4Very low34.2Very low193 Ų193149.6 Ų149.684%0.83981%0.806SS**  trans-85.8157.3-175.2-57.2-135.7-179.6-170.50112.7
194A29.4Very low33.8Very low101 Ų101153.6 Ų153.684%0.83581%0.814SS**  152.2125.6126.700000111.8
195S33.3Very low33.2Very low115 Ų115150.8 Ų150.880%0.80482%0.817SS**  trans-90.7164154-43.60000107.8
196P47.2Very low32.9Very low126 Ų126153.5 Ų153.582%0.81882%0.823SS**  -155.1-168.459.739.2-15.1000117
197A26.5Very low32.8Very low88 Ų88151 Ų15173%0.72782%0.823SS**  trans94.8103.5163.500000116.9
198L32.2Very low32.6Very low153 Ų153144.5 Ų144.580%0.80182%0.816SS**  70.4102.585.9-71.5175.9000112.7
199E25.8Very low32.7Very low170 Ų170147.7 Ų147.779%0.79482%0.818SS**  66.6137.9113.9-59.5-158.3176.700113.5
200T29Very low32.5Very low102 Ų102144 Ų14463%0.62681%0.812SS**  -174.5145.451.6-45.60000108.6
201E28.1Very low32.6Very low171 Ų171148.6 Ų148.680%0.79981%0.813SS**  trans47.5114.3143.1-62174.7-179.100125.3
202K37.5Very low32.8Very low201 Ų201144.7 Ų144.787%0.87481%0.811SS**  32.7118.4108.4-151.3173.7-169.1176.50119.6
203T30.3Very low33Very low130 Ų130150 Ų15080%0.79882%0.815SS**  trans-179120.7134.631.70000108.3
204R30.3Very low33.1Very low241 Ų241150.2 Ų150.291%0.90982%0.815SS**  65.7107.485.2-167.4-174.2-141.1175.45.6113
205S28.6Very low33.3Very low120 Ų120154 Ų15484%0.83982%0.816SS**  176.7149.8121.1-162.30000112.1
206Y30.4Very low33.3Very low207 Ų207157.6 Ų157.681%0.81282%0.82SS**  trans-83.6168.7-174.3-112.8-113.6000113.6
207D32.8Very low32.8Very low145 Ų145160.5 Ų160.578%0.77582%0.823SS**  trans87.8101.3151-64.7-35.6000122.3
208G34.1Very low33.4Very low77 Ų77160.6 Ų160.679%0.79482%0.823SS**  76.7108.399.800000119.2
209L37.7Very low33.8Very low170 Ų170163.6 Ų163.689%0.8983%0.83SS**  trans-154.4122.3144.7-162.357.1000113
210V35.6Very low34.7Very low128 Ų128163 Ų16378%0.77683%0.827SS**  trans-76.2139.5173.9177.40000110
211K36.4Very low35.2Very low203 Ų203166.6 Ų166.688%0.88384%0.839SS**  trans-158.2118.3145.5-107.6168-166.5-177.80110.8
212A37.4Very low36.1Very low94 Ų94162.6 Ų162.678%0.77783%0.83SS**  trans-78.4134.517000000110.5
213K36.3Very low36.6Very low216 Ų216157.2 Ų157.294%0.93982%0.815SS**  trans-143141146.3-85.9-166.9175.6-1790108.8
214K36.2Very low37.8Very low196 Ų196155.4 Ų155.485%0.85281%0.808SS**  trans-98.2130.9-171.4178.5-173.8-175.5-176.50108.1
215E32.9Very low39.1Very low182 Ų182154.5 Ų154.585%0.8581%0.811SS**  trans172.396.2153.9-97.9157.9-15900105.7
216Q33.1Very low40.3Very low189 Ų189152 Ų15288%0.88380%0.804SS**  66.3122.293.4-140.9171.8-5.500113
217E37.9Very low42Very low187 Ų187146.1 Ų146.187%0.87479%0.787SS**  trans101.1132.8160.9-149.8162-172.700118.7
218A39.8Very low43.7Very low90 Ų90145 Ų14574%0.74479%0.787SS**  trans58.280-177.300000116.2E220A218-E220 PolarHBondContact O-N 3.33Å
219K39.4Very low44.8Very low216 Ų216149.1 Ų149.194%0.93978%0.784SS**  trans-68.681.2159.3-158.9171.5-171.2175.50108.3M221K219-M221 PolarHBondContact O-N 3.14Å
220E44.2Very low46.1Very low159 Ų159146.7 Ų146.774%0.74377%0.766SS**  trans-50.3110.2160.7-161.5-176.7-170.600106.4A218 S222A218-E220 PolarHBondContact O-N 3.33Å; E220-S222 VanDerWaalsContact C-N 3.3Å; E220-S222 PolarHBondContact O-N 2.99Å
221M40.3Very low47.4Very low176 Ų176148.8 Ų148.887%0.86777%0.765SS**  trans-63.496.8179.6-173.5101.983.800107K219K219-M221 PolarHBondContact O-N 3.14Å
222S46.6Very low48.6Very low88 Ų88146.5 Ų146.562%0.61576%0.761SS**  trans-44.7133170.555.30000109.1E220 S224E220-S222 VanDerWaalsContact C-N 3.3Å; E220-S222 PolarHBondContact O-N 2.99Å; S222-S224 PolarHBondContact O-N 3.38Å
223P48.8Very low49.4Very low87 Ų87151.4 Ų151.457%0.56576%0.76SS**  trans-58121179.124.9-31.7000107.2K225 F230P223-K225 PolarHBondContact O-N 3.43Å; P223-F230 HydrophobicContact CB-CZ 4.31Å
224S54.6Low50.4Low92 Ų92145.2 Ų145.264%0.64374%0.744SS**  trans-54.2116.8-173.156.70000109.5S222 G226S222-S224 PolarHBondContact O-N 3.38Å; S224-G226 PolarHBondContact O-N 3.28Å
225K57.2Low51.6Low223 Ų223140.8 Ų140.897%0.9774%0.738SS**THydrogen-bonded Turntrans-66.123.3173.8-74.5-177.4174.7179.30113.2P223P223-K225 PolarHBondContact O-N 3.43Å
226G54.4Low53.1Low68 Ų68135.7 Ų135.770%0.70173%0.727SS**THydrogen-bonded Turntrans-110.1-3.7-179.100000114.4S224 P228S224-G226 PolarHBondContact O-N 3.28Å; G226-P228 WeakPolarHBondContact O-CD 3.32Å
227N65.9Low54.8Low83 Ų83130.1 Ų130.144%0.44470%0.703SS.*  trans-103.5110.8-179.9-169.8-9.1000111.7F229 F230N227-F229 PolarHBondContact O-N 3.42Å; N227-F229 VanDerWaalsContact O-N 3.14Å; N227-F229 WeakPolarHBondContact OD1-CB 3.37Å; N227-F229 PolarHBondContact OD1-N 3.05Å; N227-F230 PolarHBondContact O-N 2.85Å
228P69.1Low57Low120 Ų120125 Ų12578%0.77968%0.681SS**THydrogen-bonded Turntrans-68-9.3177.529.5-35.1000113.5G226G226-P228 WeakPolarHBondContact O-CD 3.32Å
229F57.9Low59.1Low164 Ų164126.2 Ų126.272%0.71968%0.675SS**THydrogen-bonded Turntrans-995.4176.5-64.1-74.7000114.4N227 K231N227-F229 PolarHBondContact O-N 3.42Å; N227-F229 VanDerWaalsContact O-N 3.14Å; N227-F229 WeakPolarHBondContact OD1-CB 3.37Å; N227-F229 PolarHBondContact OD1-N 3.05Å; F229-K231 PolarHBondContact O-N 3.27Å
230F63.4Low61.4Low119 Ų119122 Ų12252%0.52266%0.657SS.*  trans-73.573.2168.9-157.1-91.7000108.6P223 N227 L232P223-F230 HydrophobicContact CB-CZ 4.31Å; N227-F230 PolarHBondContact O-N 2.85Å; F230-L232 VanDerWaalsContact C-N 3.34Å; F230-L232 HydrophobicContact CD1-CD2 4.23Å; F230-L232 HydrophobicContact CE1-CD2 4.35Å; F230-L232 PolarHBondContact O-N 3.38Å
231K63.2Low63.5Low173 Ų173117 Ų11775%0.75264%0.637SS**  trans-54.5106.9165.6-73.6168.7179.6173.40104.6F229 R233F229-K231 PolarHBondContact O-N 3.27Å; K231-R233 PolarHBondContact O-N 2.94Å
232L61.3Low65.9Low154 Ų154115 Ų11581%0.80662%0.62SS**  trans-5584.6170.4-69.5165.7000107.1F230 S234F230-L232 VanDerWaalsContact C-N 3.34Å; F230-L232 HydrophobicContact CD1-CD2 4.23Å; F230-L232 HydrophobicContact CE1-CD2 4.35Å; F230-L232 PolarHBondContact O-N 3.38Å; L232-S234 PolarHBondContact O-N 3.21Å
233R55.5Low68.2Low197 Ų197117.1 Ų117.174%0.74362%0.62SS**  trans-67.2121.5160.7-65.1-127.4-96.3-160.6-3.4103.3K231 S235K231-R233 PolarHBondContact O-N 2.94Å; R233-S235 PolarHBondContact O-N 3.45Å
234S57.7Low70.4Confident87 Ų87117.5 Ų117.561%0.60862%0.617SS**  trans-39.8130.4-178.9-31.20000109.2L232 A236 N237L232-S234 PolarHBondContact O-N 3.21Å; S234-A236 PolarHBondContact O-N 3.16Å; S234-N237 PolarHBondContact O-N 3.2Å
235S59.9Low72.3Confident103 Ų103117.3 Ų117.372%0.7261%0.608SS**G310 helixtrans-47.1-23.8-17347.20000114.4R233 N237 L238R233-S235 PolarHBondContact O-N 3.45Å; S235-N237 PolarHBondContact O-N 3.04Å; S235-N237 VanDerWaalsContact O-N 3.12Å; S235-L238 VanDerWaalsContact O-CB 3.3Å; S235-L238 WeakPolarHBondContact O-CB 3.4Å; S235-L238 PolarHBondContact O-N 3.13Å
236A64.6Low74.3Confident75 Ų75110.9 Ų110.962%0.6258%0.581SS**G310 helixtrans-56.3-19.1172.800000116S234S234-A236 PolarHBondContact O-N 3.16Å
237N69.9Low76.3Confident71 Ų71113.7 Ų113.738%0.3858%0.576SS.*G310 helixtrans-101.4-3177-63.9-66.1000113.5S234 S235 D239 K240 V241S234-N237 PolarHBondContact O-N 3.2Å; S235-N237 PolarHBondContact O-N 3.04Å; S235-N237 VanDerWaalsContact O-N 3.12Å; N237-D239 VanDerWaalsContact C-N 3.35Å; N237-K240 PolarHBondContact O-N 3.45Å; N237-V241 VanDerWaalsContact O-CG2 3.28Å; N237-V241 WeakPolarHBondContact O-CG2 3.31Å; N237-V241 PolarHBondContact O-N 3.07Å
238L82.3Confident77.8Confident81 Ų81112.1 Ų112.142%0.42458%0.575SS.*Hα-helixtrans-65.5-41.2-177-177.659.5000111.1S235 V241 R242S235-L238 VanDerWaalsContact O-CB 3.3Å; S235-L238 WeakPolarHBondContact O-CB 3.4Å; S235-L238 PolarHBondContact O-N 3.13Å; L238-V241 PolarHBondContact O-N 2.9Å; L238-R242 WeakPolarHBondContact O-CB 3.47Å; L238-R242 VanDerWaalsContact O-CG 3.29Å; L238-R242 WeakPolarHBondContact O-CG 3.5Å; L238-R242 PolarHBondContact O-N 3.47Å
239D85.1Confident79.1Confident114 Ų114111.6 Ų111.661%0.6156%0.56SS**Hα-helixtrans-68.4-38.5-179.3-60.4-32.5000112N237 R242 Q243N237-D239 VanDerWaalsContact C-N 3.35Å; D239-R242 PolarHBondContact O-N 3.01Å; D239-Q243 WeakPolarHBondContact O-CB 3.5Å; D239-Q243 PolarHBondContact O-N 3.25Å
240K87.4Confident81Confident128 Ų128107.2 Ų107.256%0.55754%0.544SS*.Hα-helixtrans-61.8-46.2172.5-68.1179.9177.4-72.10111.3N237 R242 Q243 D244N237-K240 PolarHBondContact O-N 3.45Å; K240-R242 VanDerWaalsContact C-N 3.32Å; K240-R242 PolarHBondContact O-N 2.87Å; K240-Q243 WeakPolarHBondContact O-CB 3.25Å; K240-Q243 PolarHBondContact O-N 2.8Å; K240-D244 VanDerWaalsContact O-CG 3.23Å; K240-D244 PolarHBondContact O-N 3.36Å
241V88.4Confident82.6Confident55 Ų55109.4 Ų109.433%0.33355%0.549SS..Hα-helixtrans-64.3-38177.4172.20000111.3N237 L238 D244 I245N237-V241 VanDerWaalsContact O-CG2 3.28Å; N237-V241 WeakPolarHBondContact O-CG2 3.31Å; N237-V241 PolarHBondContact O-N 3.07Å; L238-V241 PolarHBondContact O-N 2.9Å; V241-D244 PolarHBondContact O-N 3.45Å; V241-I245 HydrophobicContact CG1-CD1 3.82Å; V241-I245 HydrophobicContact CG1-CG1 4.44Å; V241-I245 WeakPolarHBondContact O-CB 3.24Å; V241-I245 WeakPolarHBondContact O-CD1 3.49Å; V241-I245 WeakPolarHBondContact O-CG1 3.13Å; V241-I245 PolarHBondContact O-N 3.1Å
242R89.8Confident84.2Confident134 Ų134107.7 Ų107.751%0.50654%0.544SS..Hα-helixtrans-63.9-41.9174.3-73.6175.9-174-79.28.5111.6L238 D239 K240 I245 Q246L238-R242 WeakPolarHBondContact O-CB 3.47Å; L238-R242 VanDerWaalsContact O-CG 3.29Å; L238-R242 WeakPolarHBondContact O-CG 3.5Å; L238-R242 PolarHBondContact O-N 3.47Å; D239-R242 PolarHBondContact O-N 3.01Å; K240-R242 VanDerWaalsContact C-N 3.32Å; K240-R242 PolarHBondContact O-N 2.87Å; R242-I245 PolarHBondContact O-N 3.27Å; R242-Q246 PolarHBondContact O-N 3.14Å
243Q95.6Very high85.9Confident131 Ų131106.3 Ų106.361%0.61253%0.531SS*.Hα-helixtrans-62.6-48.7175.3-174.9175.68.400111.3D239 K240 I245 Q246 E247D239-Q243 WeakPolarHBondContact O-CB 3.5Å; D239-Q243 PolarHBondContact O-N 3.25Å; K240-Q243 WeakPolarHBondContact O-CB 3.25Å; K240-Q243 PolarHBondContact O-N 2.8Å; Q243-I245 VanDerWaalsContact C-N 3.3Å; Q243-I245 PolarHBondContact O-N 3.34Å; Q243-Q246 PolarHBondContact O-N 3.44Å; Q243-E247 PolarHBondContact O-N 3.16Å
244D95.3Very high87.8Confident95 Ų95102.6 Ų102.651%0.50852%0.522SS..Hα-helixtrans-59.5-40.5177.6-67-6.2000111.6K240 V241 Q246 E247 A248K240-D244 VanDerWaalsContact O-CG 3.23Å; K240-D244 PolarHBondContact O-N 3.36Å; V241-D244 PolarHBondContact O-N 3.45Å; D244-Q246 VanDerWaalsContact C-N 3.33Å; D244-Q246 PolarHBondContact O-N 3.28Å; D244-E247 PolarHBondContact O-N 2.75Å; D244-A248 VanDerWaalsContact O-CB 3.32Å; D244-A248 WeakPolarHBondContact O-CB 3.36Å; D244-A248 PolarHBondContact O-N 2.94Å
245I95.4Very high89.7Confident89 Ų89101.9 Ų101.946%0.45651%0.511SS..Hα-helixtrans-63.5-41.1176.1-72.3164.7000110.8V241 R242 Q243 K249V241-I245 HydrophobicContact CG1-CD1 3.82Å; V241-I245 HydrophobicContact CG1-CG1 4.44Å; V241-I245 WeakPolarHBondContact O-CB 3.24Å; V241-I245 WeakPolarHBondContact O-CD1 3.49Å; V241-I245 WeakPolarHBondContact O-CG1 3.13Å; V241-I245 PolarHBondContact O-N 3.1Å; R242-I245 PolarHBondContact O-N 3.27Å; Q243-I245 VanDerWaalsContact C-N 3.3Å; Q243-I245 PolarHBondContact O-N 3.34Å; I245-K249 WeakPolarHBondContact O-CG 3.24Å; I245-K249 PolarHBondContact O-N 2.83Å; I245-K249 VanDerWaalsContact O-N 3.15Å
246Q97.3Very high91.4Very high87 Ų87102.3 Ų102.341%0.40750%0.502SS..Hα-helixtrans-68.6-45.1179.5-173.35448.200111.1R242 Q243 D244 A248 K249 D250R242-Q246 PolarHBondContact O-N 3.14Å; Q243-Q246 PolarHBondContact O-N 3.44Å; D244-Q246 VanDerWaalsContact C-N 3.33Å; D244-Q246 PolarHBondContact O-N 3.28Å; Q246-A248 VanDerWaalsContact C-N 3.33Å; Q246-A248 PolarHBondContact O-N 2.97Å; Q246-K249 WeakPolarHBondContact O-CB 3.39Å; Q246-K249 PolarHBondContact O-N 3.14Å; Q246-K249 VanDerWaalsContact O-N 3.17Å; Q246-D250 PolarHBondContact NE2-OD1 2.95Å; Q246-D250 PolarHBondContact NE2-OD2 3.46Å; Q246-D250 PolarHBondContact O-N 3.17Å
247E97.1Very high92.9Very high128 Ų128103 Ų10360%0.59850%0.498SS*.Hα-helixtrans-58.6-44.1175.3-175.9-179.1162.300111.7Q243 D244 K249 D250 R251Q243-E247 PolarHBondContact O-N 3.16Å; D244-E247 PolarHBondContact O-N 2.75Å; E247-K249 VanDerWaalsContact C-N 3.33Å; E247-K249 PolarHBondContact O-N 2.73Å; E247-D250 PolarHBondContact O-N 2.95Å; E247-R251 WeakPolarHBondContact O-CB 3.43Å; E247-R251 PolarHBondContact O-N 3.24Å
248A97.4Very high94.1Very high49 Ų49104.1 Ų104.141%0.40550%0.504SS..Hα-helixtrans-60-42.6176.700000111.9D244 Q246 D250 R251 E252D244-A248 VanDerWaalsContact O-CB 3.32Å; D244-A248 WeakPolarHBondContact O-CB 3.36Å; D244-A248 PolarHBondContact O-N 2.94Å; Q246-A248 VanDerWaalsContact C-N 3.33Å; Q246-A248 PolarHBondContact O-N 2.97Å; A248-D250 PolarHBondContact O-N 2.86Å; A248-R251 PolarHBondContact O-N 3.22Å; A248-E252 WeakPolarHBondContact O-CG 3.48Å; A248-E252 PolarHBondContact O-N 3.09Å
249K97.3Very high94.7Very high110 Ų110108.1 Ų108.148%0.47851%0.513SS..Hα-helixtrans-63.4-40.7176.4-75.2177.4177-177.70112.4I245 Q246 E247 E252 K253I245-K249 WeakPolarHBondContact O-CG 3.24Å; I245-K249 PolarHBondContact O-N 2.83Å; I245-K249 VanDerWaalsContact O-N 3.15Å; Q246-K249 WeakPolarHBondContact O-CB 3.39Å; Q246-K249 PolarHBondContact O-N 3.14Å; Q246-K249 VanDerWaalsContact O-N 3.17Å; E247-K249 VanDerWaalsContact C-N 3.33Å; E247-K249 PolarHBondContact O-N 2.73Å; K249-E252 PolarHBondContact O-N 3.3Å; K249-K253 WeakPolarHBondContact O-CG 3.42Å; K249-K253 PolarHBondContact O-N 3.24Å
250D97.3Very high95Very high72 Ų72107.3 Ų107.339%0.38551%0.508SS..Hα-helixtrans-72.1-37.5-178.7-65.5-29.9000111.1Q246 E247 A248 E252 K253 E254Q246-D250 PolarHBondContact NE2-OD1 2.95Å; Q246-D250 PolarHBondContact NE2-OD2 3.46Å; Q246-D250 PolarHBondContact O-N 3.17Å; E247-D250 PolarHBondContact O-N 2.95Å; A248-D250 PolarHBondContact O-N 2.86Å; D250-E252 VanDerWaalsContact C-N 3.33Å; D250-E252 PolarHBondContact O-N 3.41Å; D250-K253 PolarHBondContact O-N 3.4Å; D250-K253 IonicContact OD1-NZ 2.59Å; D250-K253 PolarHBondContact OD1-NZ 3.29Å; D250-K253 VanDerWaalsContact OD1-NZ 3.1Å; D250-E254 PolarHBondContact O-N 2.99Å
251R97.8Very high95.2Very high164 Ų164105.9 Ų105.962%0.61952%0.515SS*.Hα-helixtrans-61.6-39.6170-172.6-177.1174.388.13.1112.4E247 A248 E254 L255E247-R251 WeakPolarHBondContact O-CB 3.43Å; E247-R251 PolarHBondContact O-N 3.24Å; A248-R251 PolarHBondContact O-N 3.22Å; R251-E254 PolarHBondContact O-N 3.09Å; R251-L255 WeakPolarHBondContact O-CB 3.25Å; R251-L255 WeakPolarHBondContact O-CG 3.13Å; R251-L255 PolarHBondContact O-N 3.46Å
252E96.5Very high95.2Very high138 Ų138109.1 Ų109.165%0.64553%0.529SS*.Hα-helixtrans-64.6-41.7174.8-79.4-174.6174.900112.1A248 K249 D250 L255 H256A248-E252 WeakPolarHBondContact O-CG 3.48Å; A248-E252 PolarHBondContact O-N 3.09Å; K249-E252 PolarHBondContact O-N 3.3Å; D250-E252 VanDerWaalsContact C-N 3.33Å; D250-E252 PolarHBondContact O-N 3.41Å; E252-L255 PolarHBondContact O-N 2.81Å; E252-H256 WeakPolarHBondContact O-CB 3.31Å; E252-H256 PolarHBondContact O-N 3.1Å
253K96.3Very high94.8Very high124 Ų124110.7 Ų110.754%0.53954%0.537SS..Hα-helixtrans-63.5-42.5174.3-70.2171.5-169.3161.10111.8K249 D250 H256 T257K249-K253 WeakPolarHBondContact O-CG 3.42Å; K249-K253 PolarHBondContact O-N 3.24Å; D250-K253 PolarHBondContact O-N 3.4Å; D250-K253 IonicContact OD1-NZ 2.59Å; D250-K253 PolarHBondContact OD1-NZ 3.29Å; D250-K253 VanDerWaalsContact OD1-NZ 3.1Å; K253-H256 WeakPolarHBondContact O-CB 3.3Å; K253-H256 PolarHBondContact O-N 3.26Å; K253-T257 PolarHBondContact O-N 3.33Å; K253-T257 PolarHBondContact O-OG1 2.94Å; K253-T257 VanDerWaalsContact O-OG1 3.04Å
254E96.4Very high93.2Very high119 Ų119106.3 Ų106.356%0.55653%0.527SS*.Hα-helixtrans-60.8-48.5175.7-172.8-170.9165.600110.8D250 R251 H256 T257 L258D250-E254 PolarHBondContact O-N 2.99Å; R251-E254 PolarHBondContact O-N 3.09Å; E254-H256 VanDerWaalsContact C-N 3.27Å; E254-H256 PolarHBondContact O-N 3.32Å; E254-T257 WeakPolarHBondContact O-CB 3.37Å; E254-T257 PolarHBondContact O-N 3.03Å; E254-T257 VanDerWaalsContact O-N 3.14Å; E254-L258 HydrophobicContact CG-CD1 4.23Å; E254-L258 HydrophobicContact CG-CG 4.47Å; E254-L258 VanDerWaalsContact O-CG 3.32Å; E254-L258 WeakPolarHBondContact O-CG 3.45Å; E254-L258 PolarHBondContact O-N 3.28Å
255L96.8Very high91.4Very high72 Ų72105.2 Ų105.238%0.37754%0.538SS..Hα-helixtrans-59.7-37.8175.3-78.9172.8000112.5R251 E252 L258 R259R251-L255 WeakPolarHBondContact O-CB 3.25Å; R251-L255 WeakPolarHBondContact O-CG 3.13Å; R251-L255 PolarHBondContact O-N 3.46Å; E252-L255 PolarHBondContact O-N 2.81Å; L255-L258 PolarHBondContact O-N 3.02Å; L255-R259 WeakPolarHBondContact O-CB 3.24Å; L255-R259 WeakPolarHBondContact O-CG 3.41Å; L255-R259 PolarHBondContact O-N 3.36Å
256H95.1Very high89.5Confident112 Ų112107.9 Ų107.952%0.51955%0.551SS.*Hα-helixtrans-63.3-47.2174.3-177.8-95.7000111.2E252 K253 E254 L258 R259 L260E252-H256 WeakPolarHBondContact O-CB 3.31Å; E252-H256 PolarHBondContact O-N 3.1Å; K253-H256 WeakPolarHBondContact O-CB 3.3Å; K253-H256 PolarHBondContact O-N 3.26Å; E254-H256 VanDerWaalsContact C-N 3.27Å; E254-H256 PolarHBondContact O-N 3.32Å; H256-L258 PolarHBondContact O-N 3.39Å; H256-R259 PolarHBondContact O-N 2.74Å; H256-L260 VanDerWaalsContact CE1-CD1 3.42Å; H256-L260 WeakPolarHBondContact CE1-CD1 3.43Å; H256-L260 WeakPolarHBondContact O-CG 3.24Å; H256-L260 PolarHBondContact O-N 3.44Å
257T96Very high87.3Confident90 Ų90111 Ų11155%0.55257%0.571SS**Hα-helixtrans-59-44.3173.9-58.80000111.9K253 E254 R259 L260 S261K253-T257 PolarHBondContact O-N 3.33Å; K253-T257 PolarHBondContact O-OG1 2.94Å; K253-T257 VanDerWaalsContact O-OG1 3.04Å; E254-T257 WeakPolarHBondContact O-CB 3.37Å; E254-T257 PolarHBondContact O-N 3.03Å; E254-T257 VanDerWaalsContact O-N 3.14Å; T257-R259 PolarHBondContact O-N 2.58Å; T257-L260 CarbonylContact O-C 3.49Å; T257-L260 PolarHBondContact O-N 3.11Å; T257-S261 PolarHBondContact O-N 2.97Å
258L95.1Very high84.9Confident94 Ų94108.4 Ų108.449%0.49258%0.579SS.*Hα-helixtrans-64.4-39.7177.2-69.5174.6000111.8E254 L255 H256 S261 L262E254-L258 HydrophobicContact CG-CD1 4.23Å; E254-L258 HydrophobicContact CG-CG 4.47Å; E254-L258 VanDerWaalsContact O-CG 3.32Å; E254-L258 WeakPolarHBondContact O-CG 3.45Å; E254-L258 PolarHBondContact O-N 3.28Å; L255-L258 PolarHBondContact O-N 3.02Å; H256-L258 PolarHBondContact O-N 3.39Å; L258-S261 PolarHBondContact O-N 3.38Å; L258-L262 VanDerWaalsContact O-CB 3.26Å; L258-L262 WeakPolarHBondContact O-CB 3.31Å; L258-L262 PolarHBondContact O-N 3.46Å
259R95.1Very high82.4Confident165 Ų165110.9 Ų110.962%0.62360%0.599SS**Hα-helixtrans-63.9-42.9173.4-80176.2-175158.13.4111.7L255 H256 T257 S261 L262 Y263L255-R259 WeakPolarHBondContact O-CB 3.24Å; L255-R259 WeakPolarHBondContact O-CG 3.41Å; L255-R259 PolarHBondContact O-N 3.36Å; H256-R259 PolarHBondContact O-N 2.74Å; T257-R259 PolarHBondContact O-N 2.58Å; R259-S261 VanDerWaalsContact C-N 3.32Å; R259-L262 PolarHBondContact O-N 2.88Å; R259-Y263 PolarHBondContact O-N 2.9Å
260L91.1Very high79.8Confident97 Ų97114.6 Ų114.651%0.50862%0.618SS.*Hα-helixtrans-63.2-37.5174.1-73178.9000111.6H256 T257 G264H256-L260 VanDerWaalsContact CE1-CD1 3.42Å; H256-L260 WeakPolarHBondContact CE1-CD1 3.43Å; H256-L260 WeakPolarHBondContact O-CG 3.24Å; H256-L260 PolarHBondContact O-N 3.44Å; T257-L260 CarbonylContact O-C 3.49Å; T257-L260 PolarHBondContact O-N 3.11Å; L260-G264 WeakPolarHBondContact O-CA 3.48Å; L260-G264 PolarHBondContact O-N 3.2Å
261S91.9Very high76.8Confident99 Ų99116 Ų11669%0.69263%0.634SS**Hα-helixtrans-70.3-38.7175.1-176.30000112.7T257 L258 R259T257-S261 PolarHBondContact O-N 2.97Å; L258-S261 PolarHBondContact O-N 3.38Å; R259-S261 VanDerWaalsContact C-N 3.32Å
262L87.9Confident74.2Confident122 Ų122114.5 Ų114.564%0.63965%0.645SS**Hα-helixtrans-77.2-34.8-175.3-177.560.9000112.7L258 R259L258-L262 VanDerWaalsContact O-CB 3.26Å; L258-L262 WeakPolarHBondContact O-CB 3.31Å; L258-L262 PolarHBondContact O-N 3.46Å; R259-L262 PolarHBondContact O-N 2.88Å
263Y82.7Confident71.2Confident168 Ų168113.3 Ų113.366%0.65965%0.652SS**Hα-helixtrans-121.2-15-175.3-59.1-70.1000114.3R259 G265R259-Y263 PolarHBondContact O-N 2.9Å; Y263-G265 PolarHBondContact O-N 3.35Å
264G62.1Low68.7Low39 Ų39116.5 Ų116.540%0.40267%0.666SS.*  trans-80.74.4179.400000114.4L260 I266L260-G264 WeakPolarHBondContact O-CA 3.48Å; L260-G264 PolarHBondContact O-N 3.2Å; G264-I266 PolarHBondContact O-N 2.98Å; G264-I266 VanDerWaalsContact O-N 3.16Å
265G57.4Low65.9Low72 Ų72119.3 Ų119.374%0.74268%0.679SS**THydrogen-bonded Turntrans-79.227174.100000115.4Y263Y263-G265 PolarHBondContact O-N 3.35Å
266I55.2Low62.9Low145 Ų145124.3 Ų124.374%0.74470%0.7SS**THydrogen-bonded Turntrans-118.90.5173.950.8168.8000114.4G264G264-I266 PolarHBondContact O-N 2.98Å; G264-I266 VanDerWaalsContact O-N 3.16Å
267N51.8Low60.1Low152 Ų152126.4 Ų126.481%0.81371%0.714SS**SBendtrans-140.1100.7168.5-65.2-45.3000109.6
268G46.7Very low57.7Low74 Ų74127.9 Ų127.976%0.76373%0.725SS**  trans150.235.6173.100000116.1E270G268-E270 PolarHBondContact O-N 2.9Å; G268-E270 VanDerWaalsContact O-N 3.12Å
269A43.2Very low54.7Low100 Ų100127.5 Ų127.583%0.82674%0.735SS**  trans-79.270.8157.700000108.6S271A269-S271 PolarHBondContact O-N 3.37Å
270E43.8Very low52.3Low189 Ų189125.8 Ų125.888%0.88375%0.746SS**  trans-89.191160.8-72.1-161.117100107.7G268G268-E270 PolarHBondContact O-N 2.9Å; G268-E270 VanDerWaalsContact O-N 3.12Å
271S34.6Very low49.5Very low102 Ų102126.5 Ų126.571%0.71376%0.758SS**  trans-86.1126.4162.3-550000107.6A269 S273A269-S271 PolarHBondContact O-N 3.37Å; S271-S273 PolarHBondContact O-N 3.47Å
272P41.7Very low47.4Very low131 Ų131127 Ų12785%0.85176%0.76SS**  trans-89.4108179.233.2-28.4000109.7
273S35.2Very low44.8Very low114 Ų114129 Ų12980%0.79777%0.77SS**  trans-156.9137.2160.8560000112.3S271S271-S273 PolarHBondContact O-N 3.47Å
274K42.5Very low43Very low190 Ų190125.7 Ų125.783%0.82677%0.769SS**  trans-76.7173.8-171-63.3170.7173178.80113.7
275E37.3Very low41.4Very low179 Ų179131.6 Ų131.684%0.83679%0.792SS**  trans75.3152.9157.9-72.5165.9167.900117.9
276E34.3Very low40.1Very low176 Ų176131.1 Ų131.182%0.82279%0.787SS**  cis-171.8139.9-30.6-176174.3-164.700102.7
277I36.8Very low39.1Very low156 Ų156132.2 Ų132.280%0.879%0.794SS**  trans-87.1147.4-175-61.4172.3000107.9
278P44.6Very low38.4Very low121 Ų121135.6 Ų135.679%0.78680%0.795SS**  -157.8167.465.939-13.9000121.4
279A33.5Very low38.2Very low87 Ų87143.6 Ų143.672%0.71980%0.803SS**  trans-72166.8172.500000114.2
280P43.5Very low38.4Very low129 Ų129147 Ų14784%0.83880%0.801SS**  -145.2157.811034-15.9000116.8
281S33.3Very low38Very low111 Ų111144.6 Ų144.678%0.77680%0.8SS**  trans-72.3-165.1-178.2-26.80000115
282P46.8Very low38.4Very low110 Ų110146 Ų14671%0.71480%0.804SS**  cis-141.8159.4-17.835.3-14.2000118.1
283L33.5Very low38.3Very low163 Ų163147.2 Ų147.285%0.85380%0.803SS**  trans61.8168.2144.2-71168.8000122.2
284P45Very low38.6Very low99 Ų99150.5 Ų150.564%0.64381%0.806SS**  cis-135.7178.8-20.932-10.2000116.4
285N29.7Very low38.6Very low164 Ų164147.7 Ų147.788%0.87780%0.804SS**  trans89121.5149.1-75.4-10.3000122.7
286G29.8Very low38.9Very low62 Ų62144.7 Ų144.764%0.63980%0.803SS**  trans110.187.5130.100000117
287N34.1Very low39.7Very low168 Ų168142.2 Ų142.290%0.89880%0.8SS**  166.2130.9105.2-84-15.3000113.4R289N287-R289 PolarHBondContact O-N 2.88Å
288R37Very low40.4Very low223 Ų223140 Ų14084%0.84280%0.796SS**  trans-58.9117.7169.8-166.7-173.8-137.8-120.56110.6
289R41.7Very low40.5Very low242 Ų242139.8 Ų139.891%0.91379%0.794SS**  trans-140.5117.3151.2-82.4-168.1164.5-176.6-5.3109.7N287N287-R289 PolarHBondContact O-N 2.88Å
290Q47.1Very low40.8Very low170 Ų170141.7 Ų141.779%0.79480%0.799SS**  trans-71.2130.4170.7-66170.5-53.700108.8
291T36.7Very low40.4Very low139 Ų139139.2 Ų139.285%0.85380%0.797SS**  trans-152131.115038.40000108.9
292V41.8Very low40.4Very low133 Ų133143 Ų14381%0.80680%0.803SS**  trans-65.6163.6179.6-95.10000112.8
293D39.5Very low39.9Very low155 Ų155143 Ų14383%0.82981%0.805SS**  trans94.290.6169.2-58.8-17.2000117.4
294Q42.9Very low40Very low184 Ų184144.6 Ų144.686%0.8681%0.808SS**  trans-124.6113.1158.4-77.4-8936.500108.3
295V40.8Very low40.1Very low131 Ų131148.8 Ų148.879%0.79482%0.819SS**  trans-73.6116.1167.7164.40000107.6V297V295-V297 PolarHBondContact O-N 3.31Å
296S43.6Very low40.8Very low116 Ų116150 Ų15081%0.81182%0.819SS**  trans-72.1114.9178.5-63.50000111.5
297V52.5Low41.5Very low123 Ų123156.8 Ų156.875%0.74583%0.831SS**PPolyproline II helixtrans-86.3134.3163.5176.70000108.5V295V295-V297 PolarHBondContact O-N 3.31Å
298P50.5Low41.7Very low111 Ų111156.2 Ų156.272%0.72183%0.827SS**PPolyproline II helixtrans-72.4144.1171.4-14.329.2000111.8
299P47Very low41.9Very low115 Ų115155.4 Ų155.475%0.74783%0.829SS**PPolyproline II helixtrans-76.1158.8-177.132.2-34.5000112.6G301P299-G301 PolarHBondContact O-N 2.94Å
300P40.7Very low41.8Very low127 Ų127152.6 Ų152.683%0.82583%0.826SS**PPolyproline II helixtrans-75117.4174.330.2-30.6000110.2
301G34Very low41.3Very low77 Ų77150.5 Ų150.579%0.79483%0.825SS**PPolyproline II helixtrans-84.4133.5170.200000111P299P299-G301 PolarHBondContact O-N 2.94Å
302Q33.5Very low41.3Very low192 Ų192151.1 Ų151.190%0.89782%0.819SS**PPolyproline II helixtrans-73.4162.6-168.1-61.3172-73.800114.2
303S35.5Very low41.4Very low108 Ų108150.3 Ų150.376%0.75581%0.813SS**PPolyproline II helixtrans-53.3129.7172.3490000114.9
304E36.4Very low41.1Very low198 Ų198153.4 Ų153.493%0.92581%0.814SS**  trans-126.195.4138.1-73.5-150.3171.600108.3
305E46.4Very low41.3Very low187 Ų187153.8 Ų153.887%0.87481%0.812SS**  trans-82.4108.8156.4-73.9-176.1159.300107.4
306E46Very low41Very low189 Ų189152.4 Ų152.488%0.88381%0.808SS**  trans167.399.6137.1-99.9-166.2136.400111.1
307K43Very low41.2Very low205 Ų205152.7 Ų152.789%0.89181%0.808SS**  trans151.176.2143-93.8-177.8169.5173.60110.7
308I39Very low41Very low156 Ų156158.2 Ų158.280%0.882%0.815SS**  trans-13849.9157-40174.1000109.9
309F41.1Very low41.3Very low205 Ų205158.4 Ų158.490%0.89982%0.815SS**  trans-100.984.9153.6-79.8-76.6000107.6
310H39Very low41.5Very low183 Ų183159.5 Ų159.585%0.84782%0.822SS**  trans176.385.3150.9-90.7-61.3000107.8E312H310-E312 PolarHBondContact O-N 2.99Å; H310-E312 VanDerWaalsContact O-N 3.07Å
311T36.6Very low42.4Very low126 Ų126163.6 Ų163.677%0.77382%0.821SS**  trans-79.381.6159.4-48.20000107.4V313T311-V313 PolarHBondContact O-N 3.27Å
312E38Very low44Very low153 Ų153169.5 Ų169.572%0.71583%0.828SS**  trans-64.5112.4163.1-162.2176.4-156.300107H310 R314H310-E312 PolarHBondContact O-N 2.99Å; H310-E312 VanDerWaalsContact O-N 3.07Å; E312-R314 PolarHBondContact O-N 3.39Å
313V43.3Very low46.1Very low115 Ų115164.9 Ų164.970%0.69781%0.805SS**  trans-66.285.5177.7178.70000108.1T311 K315T311-V313 PolarHBondContact O-N 3.27Å; V313-K315 VanDerWaalsContact C-N 3.29Å; V313-K315 HydrophobicContact CG1-CG 4.23Å; V313-K315 PolarHBondContact O-N 2.95Å
314R33.3Very low48.2Very low220 Ų220164.4 Ų164.483%0.8379%0.793SS**  trans-66.592.8164.9-80.3-113.8171.2171.7-3.5107.8E312 S316E312-R314 PolarHBondContact O-N 3.39Å; R314-S316 PolarHBondContact O-N 3.36Å
315K46.4Very low50.2Low192 Ų192159.3 Ų159.384%0.83578%0.778SS**  trans-58.6103.3166.4-68.8-179.1179.9176.90107.7V313V313-K315 VanDerWaalsContact C-N 3.29Å; V313-K315 HydrophobicContact CG1-CG 4.23Å; V313-K315 PolarHBondContact O-N 2.95Å
316S35Very low51.6Low102 Ų102156.2 Ų156.271%0.71377%0.766SS**  trans-62136.8174.2-174.40000109.9R314 R318R314-S316 PolarHBondContact O-N 3.36Å; S316-R318 PolarHBondContact O-N 2.92Å
317P48.2Very low53.3Low123 Ų123150.2 Ų150.280%0.79974%0.743SS**  trans-69.997.7-178.9-8.323.9000109.1T319P317-T319 PolarHBondContact O-N 3.44Å
318R47.2Very low55.1Low238 Ų238146.2 Ų146.290%0.89873%0.727SS**  trans-69.2122.3174.4-125.2173.6177.1131.6-1.7108.1S316S316-R318 PolarHBondContact O-N 2.92Å
319T58.1Low57Low116 Ų116142.1 Ų142.171%0.71271%0.707SS**  trans-55.5149173.649.50000111.1P317 R321P317-T319 PolarHBondContact O-N 3.44Å; T319-R321 VanDerWaalsContact C-N 3.27Å; T319-R321 PolarHBondContact O-N 2.72Å
320P50Low58.4Low137 Ų137141.7 Ų141.789%0.8970%0.699SS**  trans-73.583.6-175.229.6-32.3000109.8
321R60.3Low60.3Low213 Ų213138 Ų13880%0.80468%0.682SS**  trans-71.8128.2166.8-157.6168.2169.2144.1-4.6106.4T319 K323T319-R321 VanDerWaalsContact C-N 3.27Å; T319-R321 PolarHBondContact O-N 2.72Å; R321-K323 VanDerWaalsContact O-CG 3.3Å; R321-K323 WeakPolarHBondContact O-CG 3.47Å; R321-K323 PolarHBondContact O-N 3.02Å
322Q68.8Low62.2Low202 Ų202135.1 Ų135.194%0.94467%0.667SS**  trans-52.1103171.1-77.4-175.8-30.500108
323K76.6Confident63.7Low95 Ų95130.9 Ų130.941%0.41366%0.664SS.*  trans-79.5137.2-179.1-63-161.2-178.3-172.70107.2R321 E331R321-K323 VanDerWaalsContact O-CG 3.3Å; R321-K323 WeakPolarHBondContact O-CG 3.47Å; R321-K323 PolarHBondContact O-N 3.02Å; K323-E331 VanDerWaalsContact CD-OE2 3.31Å; K323-E331 WeakPolarHBondContact CD-OE2 3.31Å; K323-E331 IonicContact NZ-OE1 3.14Å; K323-E331 PolarHBondContact NZ-OE1 3.3Å; K323-E331 IonicContact NZ-OE2 3.38Å; K323-E331 PolarHBondContact NZ-OE2 3.43Å
324N79.6Confident64.7Low97 Ų97130.4 Ų130.452%0.51966%0.657SS.*  trans-57134.6171-179.2-48000107.9L326 V327 Q328N324-L326 PolarHBondContact O-N 3.25Å; N324-L326 VanDerWaalsContact O-N 3.08Å; N324-L326 VanDerWaalsContact OD1-CB 3.32Å; N324-L326 WeakPolarHBondContact OD1-CB 3.44Å; N324-L326 PolarHBondContact OD1-N 3.1Å; N324-V327 HydrophobicContact CB-CB 4.41Å; N324-V327 HydrophobicContact CB-CG2 4.03Å; N324-V327 WeakPolarHBondContact O-CA 3.28Å; N324-V327 WeakPolarHBondContact O-CB 3.43Å; N324-V327 PolarHBondContact O-N 3.28Å; N324-Q328 PolarHBondContact O-N 2.89Å
325P78.1Confident65.9Low92 Ų92125.2 Ų125.260%0.59765%0.645SS**Hα-helixtrans-53.5-33.6-177.618.9-32.1000112.5V327 Q328 L329P325-V327 VanDerWaalsContact C-N 3.35Å; P325-V327 PolarHBondContact O-N 2.81Å; P325-Q328 PolarHBondContact O-N 3.32Å; P325-L329 WeakPolarHBondContact O-CB 3.45Å; P325-L329 WeakPolarHBondContact O-CD1 3.45Å; P325-L329 WeakPolarHBondContact O-CG 3.27Å; P325-L329 PolarHBondContact O-N 3.06Å
326L77Confident66.2Low121 Ų121120.3 Ų120.363%0.63463%0.628SS**Hα-helixtrans-64.9-37.5175.5-169.666.2000112.8N324 L329 W330N324-L326 PolarHBondContact O-N 3.25Å; N324-L326 VanDerWaalsContact O-N 3.08Å; N324-L326 VanDerWaalsContact OD1-CB 3.32Å; N324-L326 WeakPolarHBondContact OD1-CB 3.44Å; N324-L326 PolarHBondContact OD1-N 3.1Å; L326-L329 PolarHBondContact O-N 3.15Å; L326-W330 WeakPolarHBondContact O-CB 3.45Å; L326-W330 PolarHBondContact O-N 2.84Å
327V79.9Confident67Low64 Ų64122.2 Ų122.239%0.38863%0.63SS.*Hα-helixtrans-70.3-37.8176.41760000110.2N324 P325 W330 E331N324-V327 HydrophobicContact CB-CB 4.41Å; N324-V327 HydrophobicContact CB-CG2 4.03Å; N324-V327 WeakPolarHBondContact O-CA 3.28Å; N324-V327 WeakPolarHBondContact O-CB 3.43Å; N324-V327 PolarHBondContact O-N 3.28Å; P325-V327 VanDerWaalsContact C-N 3.35Å; P325-V327 PolarHBondContact O-N 2.81Å; V327-W330 PolarHBondContact O-N 2.99Å; V327-E331 HydrophobicContact CG1-CG 4.29Å; V327-E331 WeakPolarHBondContact O-CB 3.4Å; V327-E331 VanDerWaalsContact O-CG 3.27Å; V327-E331 WeakPolarHBondContact O-CG 3.5Å; V327-E331 PolarHBondContact O-N 2.96Å
328Q81.6Confident67.1Low121 Ų121124.7 Ų124.757%0.56563%0.625SS**Hα-helixtrans-68.9-35.4175.6-168.9171.2-8.500112.2N324 P325 S332N324-Q328 PolarHBondContact O-N 2.89Å; P325-Q328 PolarHBondContact O-N 3.32Å; Q328-S332 WeakPolarHBondContact O-CB 3.47Å; Q328-S332 PolarHBondContact O-N 3.07Å; Q328-S332 PolarHBondContact O-OG 2.91Å
329L79.8Confident66.9Low70 Ų70120.7 Ų120.737%0.36662%0.621SS.*Hα-helixtrans-63.8-40.8170.8-84.8151000111.9P325 L326 S332 G333 L334P325-L329 WeakPolarHBondContact O-CB 3.45Å; P325-L329 WeakPolarHBondContact O-CD1 3.45Å; P325-L329 WeakPolarHBondContact O-CG 3.27Å; P325-L329 PolarHBondContact O-N 3.06Å; L326-L329 PolarHBondContact O-N 3.15Å; L329-S332 WeakPolarHBondContact CA-OG 3.46Å; L329-S332 PolarHBondContact O-OG 3.11Å; L329-S332 VanDerWaalsContact O-OG 3.09Å; L329-G333 PolarHBondContact O-N 3.25Å; L329-L334 HydrophobicContact CD2-CB 4.34Å; L329-L334 PolarHBondContact O-N 2.8Å
330W70.7Confident66.3Low196 Ų196123.2 Ų123.274%0.74263%0.629SS**Hα-helixtrans-71.5-43178.7-171.473.7000112.6L326 V327 S332 G333 I335L326-W330 WeakPolarHBondContact O-CB 3.45Å; L326-W330 PolarHBondContact O-N 2.84Å; V327-W330 PolarHBondContact O-N 2.99Å; W330-S332 VanDerWaalsContact C-N 3.31Å; W330-S332 PolarHBondContact O-N 3.26Å; W330-G333 PolarHBondContact O-N 3Å; W330-I335 HydrophobicContact CB-CD1 4.22Å
331E78.9Confident65.5Low106 Ų106129 Ų12950%0.49564%0.644SS.*Hα-helixtrans-68.1-29.2176.4-72.6178.6168.600112.9K323 V327 G333K323-E331 VanDerWaalsContact CD-OE2 3.31Å; K323-E331 WeakPolarHBondContact CD-OE2 3.31Å; K323-E331 IonicContact NZ-OE1 3.14Å; K323-E331 PolarHBondContact NZ-OE1 3.3Å; K323-E331 IonicContact NZ-OE2 3.38Å; K323-E331 PolarHBondContact NZ-OE2 3.43Å; V327-E331 HydrophobicContact CG1-CG 4.29Å; V327-E331 WeakPolarHBondContact O-CB 3.4Å; V327-E331 VanDerWaalsContact O-CG 3.27Å; V327-E331 WeakPolarHBondContact O-CG 3.5Å; V327-E331 PolarHBondContact O-N 2.96Å; E331-G333 VanDerWaalsContact C-N 3.31Å
332S75.6Confident65.8Low65 Ų65124.8 Ų124.846%0.45564%0.636SS.*THydrogen-bonded Turntrans-82.9-7.1176.459.10000113.5Q328 L329 W330 L334Q328-S332 WeakPolarHBondContact O-CB 3.47Å; Q328-S332 PolarHBondContact O-N 3.07Å; Q328-S332 PolarHBondContact O-OG 2.91Å; L329-S332 WeakPolarHBondContact CA-OG 3.46Å; L329-S332 PolarHBondContact O-OG 3.11Å; L329-S332 VanDerWaalsContact O-OG 3.09Å; W330-S332 VanDerWaalsContact C-N 3.31Å; W330-S332 PolarHBondContact O-N 3.26Å; S332-L334 PolarHBondContact O-N 3.14Å
333G68.6Low65.6Low63 Ų63120.7 Ų120.765%0.64962%0.62SS**THydrogen-bonded Turntrans68.98.2-178.400000114.4L329 W330 E331 I335L329-G333 PolarHBondContact O-N 3.25Å; W330-G333 PolarHBondContact O-N 3Å; E331-G333 VanDerWaalsContact C-N 3.31Å; G333-I335 PolarHBondContact O-N 3Å
334L65.2Low65Low106 Ų106122.2 Ų122.256%0.55563%0.632SS**  trans-84.447.6-179.1-72.4165.1000111.8L329 S332 N336L329-L334 HydrophobicContact CD2-CB 4.34Å; L329-L334 PolarHBondContact O-N 2.8Å; S332-L334 PolarHBondContact O-N 3.14Å; L334-N336 VanDerWaalsContact C-N 3.27Å; L334-N336 PolarHBondContact O-N 3Å
335I58.1Low64.2Low110 Ų110123.6 Ų123.656%0.56464%0.638SS**  trans-75.8-14.8-177.9-122.278.3000113.1W330 G333W330-I335 HydrophobicContact CB-CD1 4.22Å; G333-I335 PolarHBondContact O-N 3Å
336N52.3Low63.3Low89 Ų89125.6 Ų125.648%0.47664%0.641SS.*SBendtrans-122.7117.2169.1-87-11.3000109.2L334 Y338L334-N336 VanDerWaalsContact C-N 3.27Å; L334-N336 PolarHBondContact O-N 3Å; N336-Y338 VanDerWaalsContact C-N 3.26Å; N336-Y338 HydrophobicContact CB-CD2 3.63Å; N336-Y338 HydrophobicContact CB-CE1 4.47Å; N336-Y338 HydrophobicContact CB-CE2 3.19Å; N336-Y338 HydrophobicContact CB-CG 4.45Å; N336-Y338 WeakPolarHBondContact ND2-CE2 3.21Å; N336-Y338 VanDerWaalsContact ND2-CZ 3.35Å; N336-Y338 PolarHBondContact ND2-OH 3.47Å; N336-Y338 PolarHBondContact O-N 3.19Å
337N53Low62.4Low143 Ų143125.9 Ų125.977%0.76564%0.641SS**  trans-63.390.1165.4-69-62.1000108.9
338Y49.2Very low61.1Low175 Ų175130.4 Ų130.469%0.68666%0.66SS**  trans-107.495.2156.9-53.1-67.3000106.1N336 L340N336-Y338 VanDerWaalsContact C-N 3.26Å; N336-Y338 HydrophobicContact CB-CD2 3.63Å; N336-Y338 HydrophobicContact CB-CE1 4.47Å; N336-Y338 HydrophobicContact CB-CE2 3.19Å; N336-Y338 HydrophobicContact CB-CG 4.45Å; N336-Y338 WeakPolarHBondContact ND2-CE2 3.21Å; N336-Y338 VanDerWaalsContact ND2-CZ 3.35Å; N336-Y338 PolarHBondContact ND2-OH 3.47Å; N336-Y338 PolarHBondContact O-N 3.19Å; Y338-L340 PolarHBondContact O-N 3.28Å
339N43.6Very low59.6Low153 Ų153131.1 Ų131.182%0.81867%0.667SS**  trans-69.3109.9159-79-51.4000106
340L44.6Very low57.9Low170 Ų170136.2 Ų136.289%0.8969%0.692SS**  trans-82.6102.6154.8-10575000105.7Y338Y338-L340 PolarHBondContact O-N 3.28Å
341E35Very low56.7Low258 Ų258130.7 Ų130.7100%1.20669%0.687SS**  trans-101.40151.5-168170.4-16100108

Retrieved 341 of 341 residues in 163.8 ms (Link to these results)