A0A087Y0J9_POEFO Loading...

REST corepressor 3

AlphaFold DB , UniProt , Accession A0A087Y0J9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 551 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
1M28.8Very low35Very low238 Ų238145 Ų145100%1.17280%0.796SS**  01530-80.1-53.2-169.700109.1
2P43.8Very low35.1Very low123 Ų123144 Ų14480%0.79979%0.788SS**  trans-134.4-169.6-135.940.4-21.7000114.7
3G32.4Very low34.8Very low62 Ų62138.8 Ų138.864%0.63979%0.788SS**  trans122121172.700000111
4M39.8Very low34.8Very low161 Ų161143.1 Ų143.179%0.79379%0.794SS**  cis67.1113.738-51.7175.364.300111.5
5M38.4Very low34.6Very low166 Ų166138.1 Ų138.182%0.81879%0.787SS**  67.9143.496.5-59.8160.7169.100112.1
6D37Very low34.6Very low113 Ų113144.9 Ų144.960%0.60480%0.796SS**  cis-164.517215.5-156.3-16.6000109.8
7K37.2Very low34.9Very low176 Ų176141.6 Ų141.677%0.76579%0.786SS**  trans61.1154.4164.1-67.6135.7-171.8141.60117.5
8G30.7Very low34.8Very low75 Ų75143.2 Ų143.277%0.77379%0.793SS**  cis121.3114.30.700000112
9S32Very low34.7Very low126 Ų126138.8 Ų138.888%0.88178%0.783SS**  trans-154.3160.2166.7-1640000109.8
10E30.9Very low34.6Very low164 Ų164138.3 Ų138.377%0.76678%0.784SS**  trans-129.4-168.5-153.9-65.8-176.7118.100113.6
11Y33.3Very low35.2Very low191 Ų191140.4 Ų140.475%0.74978%0.784SS**  trans8882.4160.8-82-94.7000121.4
12L36.2Very low35.8Very low133 Ų133134.2 Ų134.270%0.69676%0.764SS**  73.7110.9109.4-146.9174.1000119.4
13G31.5Very low35.6Very low76 Ų76134.5 Ų134.578%0.78477%0.766SS**  trans-161.887169.300000115.2
14K35Very low36Very low200 Ų200136.8 Ų136.887%0.8777%0.773SS**  trans-33.8144.2174.9-57.7145-179.6171.20115.1
15G31.9Very low35.7Very low68 Ų68136.9 Ų136.970%0.70178%0.776SS**  cis148.1174.5-0.400000112.7
16R33.8Very low35.5Very low246 Ų246132.9 Ų132.993%0.92877%0.77SS**  trans69.7145.7178.5-65.7-179.7163.5-176.7-6.6117.5
17S40.8Very low35.3Very low89 Ų89132.6 Ų132.662%0.62278%0.776SS**  cis171.1125.6-47.346.40000109.2
18N32.9Very low35.3Very low171 Ų171132 Ų13291%0.91478%0.781SS**  trans53135.3158.3-54.5-1.4000118.9
19G32.7Very low35.4Very low59 Ų59131.9 Ų131.961%0.60878%0.78SS**  cis147.3-174.4-1.600000111.9
20T33.4Very low35.6Very low129 Ų129133.8 Ų133.879%0.79178%0.775SS**  trans72.9153.8169.9790000118
21K46.7Very low35.5Very low183 Ų183134.4 Ų134.480%0.79678%0.775SS**  cis-166.8144.4-30.1-108166-175.2-177.30107.3
22S41.7Very low35.4Very low107 Ų107130.6 Ų130.675%0.74878%0.776SS**  trans44.8149.3149-46.20000123
23P39.5Very low35.1Very low129 Ų129131 Ų13184%0.83878%0.78SS**  trans-96.6160158.436.1-30.6000113.6
24S40Very low35.2Very low111 Ų111135.6 Ų135.678%0.77678%0.78SS**  trans-125.5176.1172.5-29.50000108
25N34.7Very low35.3Very low163 Ų163131.7 Ų131.787%0.87278%0.778SS**  cis-156.2-164.70.7-154.760.4000108.4
26A33.3Very low35.8Very low82 Ų82132.1 Ų132.168%0.67878%0.783SS**  trans-110.9163.2-170.400000118
27S33.4Very low36Very low106 Ų106125.4 Ų125.474%0.74177%0.774SS**  trans90.7120.2143.8-152.40000123.3
28N36.8Very low36Very low164 Ų164129 Ų12988%0.87779%0.786SS**  trans49.8140.5149.7-70.6-9.9000122.7
29G33.7Very low36.4Very low72 Ų72126.7 Ų126.774%0.74277%0.773SS**  cis-157.2-140.15.400000112.5
30H34.3Very low37.1Very low167 Ų167132.7 Ų132.777%0.77379%0.786SS**  cis-166.9121.42.3-177.293.1000112.9
31F29.1Very low37.7Very low177 Ų177134.1 Ų134.178%0.77678%0.783SS**  trans61.3143.5160-86.6-101.8000125.6
32S31.8Very low37.9Very low110 Ų110132.1 Ų132.177%0.76978%0.781SS**  trans91.9130.3161.6-32.80000117.6
33D30.4Very low38.5Very low143 Ų143134.9 Ų134.977%0.76579%0.786SS**  cis-156.8-179.3-24.1-156.6-14000107.2
34E32.9Very low39.8Very low171 Ų171130.5 Ų130.580%0.79976%0.764SS**  trans44.299.3155.574.2-155.6135.800120
35S37.4Very low41.1Very low118 Ų118133.5 Ų133.583%0.82577%0.768SS**  179128.5105.7-171.70000110
36G43.4Very low43.1Very low77 Ų77134.3 Ų134.379%0.79476%0.759SS**  trans-73.4130.716900000110.5
37S36.1Very low45.2Very low106 Ų106136.3 Ų136.374%0.74176%0.763SS**  trans-106.7121.8153.9-165.60000106.2D39S37-D39 PolarHBondContact O-N 3.09Å
38D41.7Very low47.1Very low163 Ų163132.4 Ų132.487%0.87274%0.739SS**  trans-75.1118170.1-162.823.8000106.8
39D41Very low48.8Very low123 Ų123128.5 Ų128.566%0.65873%0.729SS**  trans-142.2102.9-175-156.7-10.7000106.8S37 H41S37-D39 PolarHBondContact O-N 3.09Å; D39-H41 PolarHBondContact O-N 2.8Å; D39-H41 PolarHBondContact O-ND1 2.97Å
40E48.1Very low50.8Low186 Ų186132.2 Ų132.287%0.86973%0.732SS**  trans-56105.8-164.3-73.1-176.485.600111D42E40-D42 PolarHBondContact O-N 3.41Å
41H46.3Very low52.8Low158 Ų158131.2 Ų131.273%0.73172%0.723SS**  trans-70.193.8177.2-75.614.5000109.4D39 I43D39-H41 PolarHBondContact O-N 2.8Å; D39-H41 PolarHBondContact O-ND1 2.97Å; H41-I43 WeakPolarHBondContact O-CG1 3.37Å; H41-I43 PolarHBondContact O-N 3.24Å
42D50.3Low55.3Low141 Ų141129.4 Ų129.475%0.75472%0.716SS**  trans-49113161.6177.319.5000108.7E40 G44E40-D42 PolarHBondContact O-N 3.41Å; D42-G44 PolarHBondContact O-N 3.15Å; D42-G44 PolarHBondContact OD1-N 3.26Å
43I54.6Low57.4Low165 Ų165128.4 Ų128.485%0.84672%0.715SS**  trans-83.136.5-174.9-39.5-177.2000109.9H41 M45H41-I43 WeakPolarHBondContact O-CG1 3.37Å; H41-I43 PolarHBondContact O-N 3.24Å; I43-M45 PolarHBondContact O-N 3.24Å
44G66.5Low59.6Low38 Ų38129.2 Ų129.239%0.39272%0.719SS.*  trans-59.2125.7169.200000110.6D42 R46D42-G44 PolarHBondContact O-N 3.15Å; D42-G44 PolarHBondContact OD1-N 3.26Å; G44-R46 PolarHBondContact O-N 2.82Å; G44-R46 VanDerWaalsContact O-N 3.14Å
45M67.6Low61.8Low174 Ų174127.9 Ų127.986%0.85772%0.716SS**  trans-60.4117176.5-67.6179-7400109.6I43 V47I43-M45 PolarHBondContact O-N 3.24Å; M45-V47 HydrophobicContact CB-CG2 4.34Å; M45-V47 PolarHBondContact O-N 2.9Å
46R76.4Confident63.8Low180 Ų180127.6 Ų127.668%0.67971%0.711SS**  trans-76.592.3-177.3-59.9-174-174.1-144-1.1109.9G44 Y51G44-R46 PolarHBondContact O-N 2.82Å; G44-R46 VanDerWaalsContact O-N 3.14Å; R46-Y51 HydrophobicContact CB-CD1 3.97Å; R46-Y51 HydrophobicContact CB-CD2 4.34Å; R46-Y51 HydrophobicContact CB-CE1 4.42Å; R46-Y51 HydrophobicContact CB-CG 3.92Å; R46-Y51 VanDerWaalsContact O-CB 3.29Å; R46-Y51 WeakPolarHBondContact O-CB 3.37Å
47V76.9Confident65.3Low124 Ų124133.1 Ų133.175%0.75272%0.716SS**  trans-102.5121.9-178.3-179.50000110.3M45M45-V47 HydrophobicContact CB-CG2 4.34Å; M45-V47 PolarHBondContact O-N 2.9Å
48G73.5Confident66.7Low23 Ų23135.5 Ų135.524%0.23771%0.714CS.*SBendtrans168.4163.3176.300000110.5D50 Y51 Q52G48-D50 VanDerWaalsContact C-N 3.25Å; G48-D50 PolarHBondContact O-N 3.47Å; G48-Y51 CarbonylContact O-C 3.58Å; G48-Y51 PolarHBondContact O-N 2.69Å; G48-Q52 WeakPolarHBondContact O-CG 3.48Å; G48-Q52 PolarHBondContact O-N 2.68Å
49A73.8Confident67.8Low82 Ų82134.6 Ų134.668%0.67870%0.704SS**G310 helixtrans-59.3-37.8179.200000112.1Y51 Q52A49-Y51 PolarHBondContact O-N 3.32Å; A49-Y51 VanDerWaalsContact O-N 3.15Å; A49-Q52 PolarHBondContact O-N 2.98Å; A49-Q52 VanDerWaalsContact O-N 3.15Å
50D75.4Confident68.6Low150 Ų150134 Ų13480%0.80271%0.707SS**G310 helixtrans-68-10.2177.5-45.3-64.6000113.8G48G48-D50 VanDerWaalsContact C-N 3.25Å; G48-D50 PolarHBondContact O-N 3.47Å
51Y76.4Confident68.8Low147 Ų147128.5 Ų128.558%0.57670%0.7SS**G310 helixtrans-113.74.8178.4-55.2-71.5000112.8R46 G48 A49R46-Y51 HydrophobicContact CB-CD1 3.97Å; R46-Y51 HydrophobicContact CB-CD2 4.34Å; R46-Y51 HydrophobicContact CB-CE1 4.42Å; R46-Y51 HydrophobicContact CB-CG 3.92Å; R46-Y51 VanDerWaalsContact O-CB 3.29Å; R46-Y51 WeakPolarHBondContact O-CB 3.37Å; G48-Y51 CarbonylContact O-C 3.58Å; G48-Y51 PolarHBondContact O-N 2.69Å; A49-Y51 PolarHBondContact O-N 3.32Å; A49-Y51 VanDerWaalsContact O-N 3.15Å
52Q81.1Confident68.8Low138 Ų138125.3 Ų125.365%0.64570%0.696SS**SBendtrans-104.1147.9174.7-72.1176.14.900110.5G48 A49 N54G48-Q52 WeakPolarHBondContact O-CG 3.48Å; G48-Q52 PolarHBondContact O-N 2.68Å; A49-Q52 PolarHBondContact O-N 2.98Å; A49-Q52 VanDerWaalsContact O-N 3.15Å; Q52-N54 PolarHBondContact O-N 2.84Å
53A76.1Confident68.7Low89 Ų89124.2 Ų124.274%0.73669%0.689SS**  trans-69.8122.3173.500000109.6I55A53-I55 PolarHBondContact O-N 3.19Å
54N77.1Confident68.2Low160 Ų160125.4 Ų125.486%0.85669%0.688SS**  trans-76.889.1175.7-168.924.5000109.8Q52 P56Q52-N54 PolarHBondContact O-N 2.84Å; N54-P56 WeakPolarHBondContact O-CD 3.44Å
55I77.4Confident67Low143 Ų143133 Ų13373%0.73371%0.706SS**PPolyproline II helixtrans-70.5121.4-176.4-56.4177.1000109.3A53A53-I55 PolarHBondContact O-N 3.19Å
56P79.8Confident65.7Low112 Ų112129.1 Ų129.173%0.72769%0.692SS**PPolyproline II helixtrans-63.4150.7175.2-22.134.4000112.6N54N54-P56 WeakPolarHBondContact O-CD 3.44Å
57E76.4Confident64.2Low193 Ų193128.9 Ų128.990%0.90270%0.699SS**PPolyproline II helixtrans-64.2133.5177.9-159.6163.2-146.900110.9E59E57-E59 PolarHBondContact O-N 2.9Å
58F65.5Low62.8Low156 Ų156132.5 Ų132.568%0.68470%0.704SS**  trans-79102.5-171.7174.3-100.8000111.4P60F58-P60 HydrophobicContact CD1-CG 4.17Å; F58-P60 HydrophobicContact CE1-CB 4.16Å; F58-P60 HydrophobicContact CE1-CG 4.01Å; F58-P60 VanDerWaalsContact O-CD 3.27Å; F58-P60 WeakPolarHBondContact O-CD 3.35Å
59E64.3Low61.6Low144 Ų144137.7 Ų137.767%0.67373%0.727SS**  trans-79.4114.4170.9-74.7-162.7174.800111.9E57 G61 S62E57-E59 PolarHBondContact O-N 2.9Å; E59-G61 PolarHBondContact O-N 2.94Å; E59-S62 PolarHBondContact O-N 3.04Å
60P56.5Low60.4Low112 Ų112137.9 Ų137.973%0.72772%0.723SS**THydrogen-bonded Turntrans-70.24-177.4-1934.3000115.3F58F58-P60 HydrophobicContact CD1-CG 4.17Å; F58-P60 HydrophobicContact CE1-CB 4.16Å; F58-P60 HydrophobicContact CE1-CG 4.01Å; F58-P60 VanDerWaalsContact O-CD 3.27Å; F58-P60 WeakPolarHBondContact O-CD 3.35Å
61G53.4Low59.4Low70 Ų70135 Ų13572%0.72273%0.728SS**THydrogen-bonded Turntrans-103.4-11177.400000114.9E59 I63E59-G61 PolarHBondContact O-N 2.94Å; G61-I63 VanDerWaalsContact C-N 3.28Å; G61-I63 PolarHBondContact O-N 3.17Å
62S45.8Very low58.9Low91 Ų91131.1 Ų131.164%0.63673%0.734SS**  trans-84.96.5-170.5-149.70000114.4E59 K64E59-S62 PolarHBondContact O-N 3.04Å; S62-K64 PolarHBondContact O-N 2.76Å
63I48Very low58.6Low117 Ų117132.6 Ų132.660%0.674%0.743SS**  trans-79.556.3178.8-42.5-176.5000111G61 Y65G61-I63 VanDerWaalsContact C-N 3.28Å; G61-I63 PolarHBondContact O-N 3.17Å; I63-Y65 HydrophobicContact CG2-CD2 3.97Å; I63-Y65 HydrophobicContact CG2-CE2 4.4Å
64K44.4Very low58.9Low191 Ų191134 Ų13483%0.8374%0.737SS**  trans-105.570.8151.5-71.2-171.4-179.7-1780107.9S62 T66S62-K64 PolarHBondContact O-N 2.76Å; K64-T66 PolarHBondContact O-N 3.03Å; K64-T66 VanDerWaalsContact O-N 3.12Å
65Y40.7Very low59Low198 Ų198129.5 Ų129.578%0.77672%0.715SS**  trans-54.2119.3157.2-84-87.8000107.2I63 E67I63-Y65 HydrophobicContact CG2-CD2 3.97Å; I63-Y65 HydrophobicContact CG2-CE2 4.4Å; Y65-E67 VanDerWaalsContact C-N 3.29Å; Y65-E67 PolarHBondContact O-N 2.8Å
66T41.6Very low59.5Low92 Ų92125.7 Ų125.756%0.56469%0.692SS**  trans-66.895.9166.538.60000107.1K64 K68 D69K64-T66 PolarHBondContact O-N 3.03Å; K64-T66 VanDerWaalsContact O-N 3.12Å; T66-K68 PolarHBondContact O-N 2.87Å; T66-D69 PolarHBondContact O-N 3.33Å; T66-D69 PolarHBondContact OG1-OD2 3.32Å
67E44.6Very low59.7Low175 Ų175122.2 Ų122.282%0.81867%0.67SS**G310 helixtrans-50.2-23179.2-169.9171.6-16400112.6Y65 D69 S70Y65-E67 VanDerWaalsContact C-N 3.29Å; Y65-E67 PolarHBondContact O-N 2.8Å; E67-D69 VanDerWaalsContact C-N 3.29Å; E67-D69 PolarHBondContact O-N 3.07Å; E67-S70 PolarHBondContact O-N 3.43Å
68K47.8Very low59.8Low199 Ų199118.6 Ų118.687%0.86566%0.663SS**G310 helixtrans-61.7-21.3173.6-145.5174.1-174.6-176.90115.7T66T66-K68 PolarHBondContact O-N 2.87Å
69D46.7Very low60.4Low132 Ų132116.3 Ų116.371%0.70665%0.651SS**G310 helixtrans-100.3-2.6179.6-68.1-63.4000113.7T66 E67 G71T66-D69 PolarHBondContact O-N 3.33Å; T66-D69 PolarHBondContact OG1-OD2 3.32Å; E67-D69 VanDerWaalsContact C-N 3.29Å; E67-D69 PolarHBondContact O-N 3.07Å; D69-G71 PolarHBondContact O-N 3.43Å
70S48.4Very low60.8Low86 Ų86118 Ų11860%0.60166%0.658SS**  trans-74.373.1168.3-73.20000110.5E67 G72E67-S70 PolarHBondContact O-N 3.43Å; S70-G72 PolarHBondContact O-N 3.05Å
71G56.3Low61.8Low89 Ų89116.4 Ų116.492%0.91865%0.65SS**  trans-64.69.9179.700000116.1D69D69-G71 PolarHBondContact O-N 3.43Å
72G64.6Low63.2Low67 Ų67114.3 Ų114.369%0.69162%0.622SS**  trans-100.6117.4173.200000111.2S70S70-G72 PolarHBondContact O-N 3.05Å
73M75.8Confident65.3Low168 Ų168114.7 Ų114.783%0.82862%0.62SS**  trans-72.4131.4171-174.2177.9-68.600110.1V75M73-V75 HydrophobicContact CG-CG1 4.42Å; M73-V75 PolarHBondContact O-N 2.81Å
74L80.8Confident67.2Low120 Ų120114.8 Ų114.863%0.62862%0.622SS**  trans-71.698.3172.8-178.465.2000109.6W76 F110L74-W76 VanDerWaalsContact CD1-O 3.31Å; L74-W76 WeakPolarHBondContact CD1-O 3.43Å; L74-F110 HydrophobicContact CD2-CE1 4.31Å; L74-F110 HydrophobicContact CD2-CZ 3.78Å; L74-F110 HydrophobicContact CG-CE1 4.1Å; L74-F110 HydrophobicContact CG-CZ 3.99Å; L74-F110 WeakPolarHBondContact O-CE1 3.21Å
75V79.2Confident69.5Low65 Ų65110 Ų11039%0.39461%0.612SS.*  trans-90.2-19.6179.6-64.70000113.8M73 G107 F110M73-V75 HydrophobicContact CG-CG1 4.42Å; M73-V75 PolarHBondContact O-N 2.81Å; V75-G107 VanDerWaalsContact O-CA 3.27Å; V75-G107 WeakPolarHBondContact O-CA 3.44Å; V75-F110 VanDerWaalsContact O-CB 3.25Å; V75-F110 WeakPolarHBondContact O-CB 3.33Å
76W88.4Confident71.8Confident62 Ų62106.6 Ų106.624%0.23560%0.602CS.*  trans-152145.7179.9178.9-114.1000112.1L74 L87 L106 L109 F110 H114L74-W76 VanDerWaalsContact CD1-O 3.31Å; L74-W76 WeakPolarHBondContact CD1-O 3.43Å; W76-L87 HydrophobicContact CH2-CD1 4Å; W76-L87 HydrophobicContact CH2-CD2 4.4Å; W76-L87 HydrophobicContact CZ2-CD1 4.44Å; W76-L87 HydrophobicContact CZ2-CD2 4.07Å; W76-L106 HydrophobicContact CB-CB 4.21Å; W76-L106 HydrophobicContact CD2-CB 3.93Å; W76-L106 HydrophobicContact CD2-CD1 4.35Å; W76-L106 HydrophobicContact CD2-CD2 3.92Å; W76-L106 HydrophobicContact CD2-CG 4.29Å; W76-L106 HydrophobicContact CE3-CB 3.79Å; W76-L106 HydrophobicContact CE3-CD2 3.9Å; W76-L106 HydrophobicContact CE3-CG 4.38Å; W76-L106 HydrophobicContact CG-CB 4.13Å; W76-L106 HydrophobicContact CG-CD1 4.25Å; W76-L106 HydrophobicContact CH2-CD2 3.85Å; W76-L106 HydrophobicContact CZ2-CD2 3.86Å; W76-L106 HydrophobicContact CZ3-CB 4.45Å; W76-L106 HydrophobicContact CZ3-CD2 3.87Å; W76-L109 HydrophobicContact CH2-CD2 3.87Å; W76-L109 HydrophobicContact CH2-CG 4.37Å; W76-L109 HydrophobicContact CZ3-CB 4.05Å; W76-L109 HydrophobicContact CZ3-CD2 3.85Å; W76-L109 HydrophobicContact CZ3-CG 3.93Å; W76-F110 HydrophobicContact CE3-CB 4.07Å; W76-H114 AromaticContact CE3-NE2 3.94Å; W76-H114 AromaticContact CH2-CD2 3.49Å; W76-H114 VanDerWaalsContact CH2-CD2 3.49Å; W76-H114 WeakPolarHBondContact CH2-CD2 3.33Å; W76-H114 AromaticContact CH2-NE2 3.73Å; W76-H114 AromaticContact CZ3-CD2 3.44Å; W76-H114 VanDerWaalsContact CZ3-CD2 3.44Å; W76-H114 WeakPolarHBondContact CZ3-CD2 3.49Å; W76-H114 AromaticContact CZ3-NE2 3.49Å; W76-H114 WeakPolarHBondContact CZ3-NE2 3.35Å
77S84.8Confident74.2Confident40 Ų40103.6 Ų103.628%0.2858%0.582SS.*  trans-133.9144.5158.666.80000109.9F110 H114S77-F110 WeakPolarHBondContact OG-CE2 3.27Å; S77-H114 PolarHBondContact O-NE2 3.24Å
78P79.1Confident76.5Confident116 Ų116100.2 Ų100.275%0.75357%0.57SS**  trans-62.3136.2173.5-21.833.6000111.4
79Y76.9Confident78.7Confident109 Ų10996.4 Ų96.443%0.42756%0.555SS.*  trans-130.3111.5179.5-168-117.2000111.7S81 I82 H114Y79-S81 WeakPolarHBondContact CD1-OG 3.22Å; Y79-S81 WeakPolarHBondContact CE1-OG 3.29Å; Y79-S81 PolarHBondContact O-N 3.48Å; Y79-I82 PolarHBondContact O-N 2.63Å; Y79-H114 WeakPolarHBondContact CB-CD2 3.33Å; Y79-H114 VanDerWaalsContact CB-CG 3.45Å; Y79-H114 HydrophobicContact CD1-CB 3.43Å; Y79-H114 VanDerWaalsContact CD1-CB 3.43Å; Y79-H114 AromaticContact CD1-CG 3.72Å; Y79-H114 HydrophobicContact CE1-CB 4.08Å; Y79-H114 HydrophobicContact CG-CB 3.96Å; Y79-H114 AromaticContact CG-CG 3.68Å; Y79-H114 AromaticContact CG-ND1 3.74Å
80H73.2Confident81Confident178 Ų17890.2 Ų90.282%0.82452%0.522SS*.THydrogen-bonded Turntrans-7122.1-171.462.265.2000114.9
81S76.8Confident83.1Confident80 Ų8087.5 Ų87.556%0.55950%0.5SS*.THydrogen-bonded Turntrans-112.6-10.3171.9101.90000113.4Y79Y79-S81 WeakPolarHBondContact CD1-OG 3.22Å; Y79-S81 WeakPolarHBondContact CE1-OG 3.29Å; Y79-S81 PolarHBondContact O-N 3.48Å
82I83.9Confident84.9Confident26 Ų2685 Ų8513%0.13347%0.471CS..SBendtrans-91.3136.2169.7-57.6-178.6000107.6Y79 K86 L87 L109 H114 I116Y79-I82 PolarHBondContact O-N 2.63Å; I82-K86 HydrophobicContact CG2-CB 4.42Å; I82-L87 HydrophobicContact CG2-CB 3.89Å; I82-L109 HydrophobicContact CD1-CD1 4.36Å; I82-L109 HydrophobicContact CD1-CD2 3.82Å; I82-L109 HydrophobicContact CD1-CG 4.33Å; I82-H114 HydrophobicContact CD1-CB 3.98Å; I82-I116 HydrophobicContact CD1-CD1 4.32Å; I82-I116 HydrophobicContact CD1-CG1 4.23Å; I82-I116 HydrophobicContact CG2-CD1 4Å
83V90.1Very high86.2Confident98 Ų9883.8 Ų83.859%0.59445%0.448SS*.  trans-84.6130.4169178.40000107.9S85 K86 L87V83-S85 VanDerWaalsContact C-N 3.28Å; V83-S85 PolarHBondContact O-N 2.82Å; V83-S85 VanDerWaalsContact O-N 3.12Å; V83-K86 WeakPolarHBondContact O-CA 3.13Å; V83-K86 WeakPolarHBondContact O-CB 3.3Å; V83-K86 PolarHBondContact O-N 3.12Å; V83-L87 PolarHBondContact O-N 2.84Å
84D86.4Confident86.9Confident120 Ų12075.8 Ų75.864%0.64241%0.409SS*.Hα-helixtrans-47.6-45.7-172.9-54.3-27.7000113.3K86 L87 D88D84-K86 PolarHBondContact O-N 3.16Å; D84-L87 CarbonylContact O-C 3.6Å; D84-L87 WeakPolarHBondContact O-CA 3.5Å; D84-L87 VanDerWaalsContact O-CB 3.27Å; D84-L87 WeakPolarHBondContact O-CB 3.34Å; D84-L87 PolarHBondContact O-N 3.29Å; D84-D88 PolarHBondContact O-N 3.11Å
85S92.6Very high87.2Confident89 Ų8976.2 Ų76.262%0.62241%0.405SS*.Hα-helixtrans-56.6-25.5176.4175.80000115.1V83 E89V83-S85 VanDerWaalsContact C-N 3.28Å; V83-S85 PolarHBondContact O-N 2.82Å; V83-S85 VanDerWaalsContact O-N 3.12Å; S85-E89 PolarHBondContact O-N 3.43Å
86K90.8Very high87.6Confident127 Ų12780.6 Ų80.655%0.55242%0.422SS*.Hα-helixtrans-86.7-27173-65.6-170.1173.3-169.40112.6I82 V83 D84 Y90 I116I82-K86 HydrophobicContact CG2-CB 4.42Å; V83-K86 WeakPolarHBondContact O-CA 3.13Å; V83-K86 WeakPolarHBondContact O-CB 3.3Å; V83-K86 PolarHBondContact O-N 3.12Å; D84-K86 PolarHBondContact O-N 3.16Å; K86-Y90 WeakPolarHBondContact O-CB 3.44Å; K86-Y90 PolarHBondContact O-N 2.93Å; K86-Y90 VanDerWaalsContact O-N 3.11Å; K86-I116 HydrophobicContact CB-CD1 4.08Å
87L91.3Very high87.5Confident29 Ų2984.9 Ų84.915%0.15244%0.442CS..Hα-helixtrans-68.4-44.2171.1-174.759.1000109.9W76 I82 V83 D84 Y90 I91 L106 L109W76-L87 HydrophobicContact CH2-CD1 4Å; W76-L87 HydrophobicContact CH2-CD2 4.4Å; W76-L87 HydrophobicContact CZ2-CD1 4.44Å; W76-L87 HydrophobicContact CZ2-CD2 4.07Å; I82-L87 HydrophobicContact CG2-CB 3.89Å; V83-L87 PolarHBondContact O-N 2.84Å; D84-L87 CarbonylContact O-C 3.6Å; D84-L87 WeakPolarHBondContact O-CA 3.5Å; D84-L87 VanDerWaalsContact O-CB 3.27Å; D84-L87 WeakPolarHBondContact O-CB 3.34Å; D84-L87 PolarHBondContact O-N 3.29Å; L87-Y90 PolarHBondContact O-N 2.89Å; L87-I91 HydrophobicContact CD1-CD1 4.33Å; L87-I91 HydrophobicContact CG-CD1 3.98Å; L87-I91 VanDerWaalsContact O-CG1 3.27Å; L87-I91 WeakPolarHBondContact O-CG1 3.36Å; L87-I91 PolarHBondContact O-N 2.81Å; L87-L106 HydrophobicContact CD1-CD2 3.94Å; L87-L109 HydrophobicContact CD1-CD2 3.3Å
88D92.6Very high87.3Confident104 Ų10485 Ų8556%0.55644%0.438SS*.Hα-helixtrans-61.8-45.8175.5-66.5-35.8000112D84 Y90 I91 A92D84-D88 PolarHBondContact O-N 3.11Å; D88-Y90 VanDerWaalsContact C-N 3.34Å; D88-Y90 PolarHBondContact O-N 3.3Å; D88-I91 PolarHBondContact O-N 2.71Å; D88-A92 WeakPolarHBondContact O-CB 3.31Å; D88-A92 PolarHBondContact O-N 3.45Å
89E94.3Very high87.3Confident120 Ų12082.4 Ų82.456%0.56143%0.432SS*.Hα-helixtrans-58.8-43.8174.8-176.2180-166.800111.7S85 A92 I93S85-E89 PolarHBondContact O-N 3.43Å; E89-A92 PolarHBondContact O-N 3.02Å; E89-I93 HydrophobicContact CG-CD1 4.09Å; E89-I93 VanDerWaalsContact O-CG1 3.3Å; E89-I93 WeakPolarHBondContact O-CG1 3.36Å; E89-I93 PolarHBondContact O-N 2.89Å
90Y94.3Very high87.7Confident2 Ų277.6 Ų77.61%0.00841%0.413CS..Hα-helixtrans-62.8-45.7175.3165.5-94.6000112.5K86 L87 D88 A92 I93 A94 A105 L109 I116 S119 L120 L123K86-Y90 WeakPolarHBondContact O-CB 3.44Å; K86-Y90 PolarHBondContact O-N 2.93Å; K86-Y90 VanDerWaalsContact O-N 3.11Å; L87-Y90 PolarHBondContact O-N 2.89Å; D88-Y90 VanDerWaalsContact C-N 3.34Å; D88-Y90 PolarHBondContact O-N 3.3Å; Y90-A92 VanDerWaalsContact C-N 3.34Å; Y90-A92 PolarHBondContact O-N 2.95Å; Y90-I93 PolarHBondContact O-N 3.11Å; Y90-A94 WeakPolarHBondContact O-CB 3.36Å; Y90-A94 PolarHBondContact O-N 2.88Å; Y90-A105 HydrophobicContact CE1-CB 4.16Å; Y90-A105 WeakPolarHBondContact CE1-O 3.5Å; Y90-A105 PolarHBondContact OH-O 2.8Å; Y90-L109 HydrophobicContact CD1-CD2 3.85Å; Y90-L109 HydrophobicContact CE1-CB 3.76Å; Y90-L109 HydrophobicContact CE1-CD2 3.89Å; Y90-L109 HydrophobicContact CE1-CG 4.31Å; Y90-I116 HydrophobicContact CD2-CG2 3.95Å; Y90-I116 HydrophobicContact CG-CG2 4.37Å; Y90-S119 PolarHBondContact OH-OG 3.48Å; Y90-L120 HydrophobicContact CD2-CD2 3.62Å; Y90-L120 HydrophobicContact CD2-CG 3.88Å; Y90-L120 HydrophobicContact CE2-CD2 3.98Å; Y90-L120 HydrophobicContact CE2-CG 4.21Å; Y90-L123 HydrophobicContact CE2-CD1 4.24Å
91I93.1Very high88.3Confident28 Ų2872.3 Ų72.314%0.14439%0.391CS..Hα-helixtrans-63.3-41.2178.2-68.9164000110.5L87 D88 A94 K95 V102 L106L87-I91 HydrophobicContact CD1-CD1 4.33Å; L87-I91 HydrophobicContact CG-CD1 3.98Å; L87-I91 VanDerWaalsContact O-CG1 3.27Å; L87-I91 WeakPolarHBondContact O-CG1 3.36Å; L87-I91 PolarHBondContact O-N 2.81Å; D88-I91 PolarHBondContact O-N 2.71Å; I91-A94 PolarHBondContact O-N 3.18Å; I91-K95 VanDerWaalsContact O-CB 3.27Å; I91-K95 WeakPolarHBondContact O-CB 3.48Å; I91-K95 PolarHBondContact O-N 3.19Å; I91-V102 HydrophobicContact CD1-CG1 4.43Å; I91-V102 HydrophobicContact CG2-CG1 4.28Å; I91-V102 HydrophobicContact CG2-CG2 4.14Å; I91-L106 HydrophobicContact CD1-CD2 4.06Å; I91-L106 HydrophobicContact CG1-CD2 4.47Å
92A93.8Very high88.9Confident37 Ų3772 Ų7231%0.30639%0.385SS..Hα-helixtrans-60.6-47.7175.200000111.4D88 E89 Y90 A94 K95 E96D88-A92 WeakPolarHBondContact O-CB 3.31Å; D88-A92 PolarHBondContact O-N 3.45Å; E89-A92 PolarHBondContact O-N 3.02Å; Y90-A92 VanDerWaalsContact C-N 3.34Å; Y90-A92 PolarHBondContact O-N 2.95Å; A92-A94 PolarHBondContact O-N 3.47Å; A92-K95 PolarHBondContact O-N 2.92Å; A92-E96 VanDerWaalsContact O-CB 3.31Å; A92-E96 WeakPolarHBondContact O-CB 3.43Å; A92-E96 WeakPolarHBondContact O-CG 3.44Å; A92-E96 PolarHBondContact O-N 3.12Å
93I91.9Very high89.1Confident42 Ų4277.6 Ų77.622%0.21541%0.411CS..Hα-helixtrans-60.7-46.3177.2-69.7164.6000111.5E89 Y90 K95 K97 L120E89-I93 HydrophobicContact CG-CD1 4.09Å; E89-I93 VanDerWaalsContact O-CG1 3.3Å; E89-I93 WeakPolarHBondContact O-CG1 3.36Å; E89-I93 PolarHBondContact O-N 2.89Å; Y90-I93 PolarHBondContact O-N 3.11Å; I93-K95 VanDerWaalsContact C-N 3.35Å; I93-K95 PolarHBondContact O-N 2.91Å; I93-K97 HydrophobicContact CG2-CD 4.37Å; I93-K97 WeakPolarHBondContact O-CB 3.39Å; I93-K97 PolarHBondContact O-N 3.39Å; I93-L120 HydrophobicContact CB-CD2 4.22Å; I93-L120 HydrophobicContact CG2-CD2 3.63Å
94A90.6Very high89Confident0 Ų076.7 Ų76.70%040%0.4CS..Hα-helixtrans-62-41.7179.500000112.5Y90 I91 A92 H98 G99 Y100 A105 L123Y90-A94 WeakPolarHBondContact O-CB 3.36Å; Y90-A94 PolarHBondContact O-N 2.88Å; I91-A94 PolarHBondContact O-N 3.18Å; A92-A94 PolarHBondContact O-N 3.47Å; A94-H98 CarbonylContact O-C 3.55Å; A94-H98 WeakPolarHBondContact O-CA 3.29Å; A94-H98 WeakPolarHBondContact O-CB 3.33Å; A94-H98 PolarHBondContact O-N 2.91Å; A94-G99 PolarHBondContact O-N 3.46Å; A94-G99 VanDerWaalsContact O-N 3.17Å; A94-Y100 PolarHBondContact O-N 3.1Å; A94-Y100 VanDerWaalsContact O-N 3.09Å; A94-A105 HydrophobicContact CB-CB 3.72Å; A94-L123 HydrophobicContact CB-CD1 3.73Å; A94-L123 HydrophobicContact CB-CD2 3.95Å
95K88.1Confident89.2Confident128 Ų12871 Ų7156%0.55737%0.37SS*.Hα-helixtrans-71.7-51.2178.8-176.2-174.3173.8-167.20112.6I91 A92 I93 G99 Y100I91-K95 VanDerWaalsContact O-CB 3.27Å; I91-K95 WeakPolarHBondContact O-CB 3.48Å; I91-K95 PolarHBondContact O-N 3.19Å; A92-K95 PolarHBondContact O-N 2.92Å; I93-K95 VanDerWaalsContact C-N 3.35Å; I93-K95 PolarHBondContact O-N 2.91Å; K95-G99 WeakPolarHBondContact O-CA 3.35Å; K95-G99 PolarHBondContact O-N 2.74Å; K95-G99 VanDerWaalsContact O-N 3.15Å; K95-Y100 WeakPolarHBondContact CA-O 3.47Å
96E87.8Confident89.1Confident157 Ų15768 Ų6873%0.73435%0.347SS*.Hα-helixtrans-79.6-34-170.1-66.5-178.8177.300113.7A92A92-E96 VanDerWaalsContact O-CB 3.31Å; A92-E96 WeakPolarHBondContact O-CB 3.43Å; A92-E96 WeakPolarHBondContact O-CG 3.44Å; A92-E96 PolarHBondContact O-N 3.12Å
97K84.9Confident89.1Confident153 Ų15362.9 Ų62.967%0.66533%0.33SS*.Hα-helixtrans-100.8-21.3-177.2-60.2-173.8-175.6171.30114.1I93I93-K97 HydrophobicContact CG2-CD 4.37Å; I93-K97 WeakPolarHBondContact O-CB 3.39Å; I93-K97 PolarHBondContact O-N 3.39Å
98H82Confident89.1Confident43 Ų4362.8 Ų62.820%0.19933%0.329CS..Hα-helixtrans-128.20.8-173.7-55.3-75.7000114A94 Y100 L123A94-H98 CarbonylContact O-C 3.55Å; A94-H98 WeakPolarHBondContact O-CA 3.29Å; A94-H98 WeakPolarHBondContact O-CB 3.33Å; A94-H98 PolarHBondContact O-N 2.91Å; H98-Y100 VanDerWaalsContact C-N 3.26Å; H98-Y100 HydrophobicContact CB-CD2 3.57Å; H98-Y100 HydrophobicContact CB-CE2 3.72Å; H98-Y100 WeakPolarHBondContact O-CD2 3.35Å; H98-Y100 PolarHBondContact O-N 2.83Å; H98-L123 HydrophobicContact CB-CB 4.35Å
99G79.1Confident89Confident60 Ų6057.9 Ų57.962%0.61930%0.303SS*.  trans70.413.9173.500000115.5A94 K95A94-G99 PolarHBondContact O-N 3.46Å; A94-G99 VanDerWaalsContact O-N 3.17Å; K95-G99 WeakPolarHBondContact O-CA 3.35Å; K95-G99 PolarHBondContact O-N 2.74Å; K95-G99 VanDerWaalsContact O-N 3.15Å
100Y85.1Confident88.9Confident9 Ų955 Ų554%0.03529%0.289CS..  trans-71.7139.5179.3-77.6-111.7000111.3A94 K95 H98 Q104 M108 L123 F126 T127 P128A94-Y100 PolarHBondContact O-N 3.1Å; A94-Y100 VanDerWaalsContact O-N 3.09Å; K95-Y100 WeakPolarHBondContact CA-O 3.47Å; H98-Y100 VanDerWaalsContact C-N 3.26Å; H98-Y100 HydrophobicContact CB-CD2 3.57Å; H98-Y100 HydrophobicContact CB-CE2 3.72Å; H98-Y100 WeakPolarHBondContact O-CD2 3.35Å; H98-Y100 PolarHBondContact O-N 2.83Å; Y100-Q104 HydrophobicContact CD1-CB 3.7Å; Y100-Q104 HydrophobicContact CE1-CB 4.49Å; Y100-M108 HydrophobicContact CD1-CG 4.38Å; Y100-M108 HydrophobicContact CE1-CG 3.69Å; Y100-M108 HydrophobicContact CE1-SD 4.13Å; Y100-L123 HydrophobicContact CD1-CD2 4.05Å; Y100-L123 HydrophobicContact CD2-CD2 3.82Å; Y100-L123 HydrophobicContact CE1-CD2 3.84Å; Y100-L123 HydrophobicContact CE2-CB 4.24Å; Y100-L123 HydrophobicContact CE2-CD2 3.55Å; Y100-L123 HydrophobicContact CE2-CG 4.49Å; Y100-L123 WeakPolarHBondContact CE2-O 3.4Å; Y100-L123 HydrophobicContact CG-CD2 4.05Å; Y100-L123 PolarHBondContact OH-O 2.92Å; Y100-L123 VanDerWaalsContact OH-O 3.12Å; Y100-F126 WeakPolarHBondContact OH-CB 3.34Å; Y100-F126 PolarHBondContact OH-O 3.24Å; Y100-F126 VanDerWaalsContact OH-O 3.1Å; Y100-T127 PolarHBondContact OH-N 3.33Å; Y100-P128 HydrophobicContact CD2-CG 4.47Å; Y100-P128 VanDerWaalsContact CE2-CD 3.5Å; Y100-P128 HydrophobicContact CG-CG 4.48Å
101N85.6Confident88.7Confident67 Ų6764.3 Ų64.336%0.35832%0.324SS..  trans-74.7164.6162.882.940.2000110.7E103 Q104 A105N101-E103 VanDerWaalsContact C-N 3.34Å; N101-E103 PolarHBondContact O-N 3.3Å; N101-E103 PolarHBondContact OD1-N 3.07Å; N101-Q104 VanDerWaalsContact ND2-CD 3.33Å; N101-Q104 PolarHBondContact ND2-OE1 2.83Å; N101-Q104 PolarHBondContact O-N 2.96Å; N101-Q104 WeakPolarHBondContact OD1-CG 3.21Å; N101-Q104 PolarHBondContact OD1-N 3.37Å; N101-A105 PolarHBondContact O-N 3.17Å
102V89Confident88.6Confident73 Ų7364.6 Ų64.644%0.44232%0.324SS..Hα-helixtrans-62.4-39.3-173.1-177.70000112.2I91 A105 L106I91-V102 HydrophobicContact CD1-CG1 4.43Å; I91-V102 HydrophobicContact CG2-CG1 4.28Å; I91-V102 HydrophobicContact CG2-CG2 4.14Å; V102-A105 PolarHBondContact O-N 3.3Å; V102-L106 HydrophobicContact CG1-CD1 4.12Å; V102-L106 HydrophobicContact CG1-CG 4.41Å; V102-L106 WeakPolarHBondContact O-CB 3.18Å; V102-L106 VanDerWaalsContact O-CG 3.3Å; V102-L106 WeakPolarHBondContact O-CG 3.46Å; V102-L106 PolarHBondContact O-N 2.84Å
103E88.3Confident88.4Confident143 Ų14371.5 Ų71.567%0.66835%0.348SS*.Hα-helixtrans-69.5-35.4178.7-63.7-175.2172.100112.1N101 G107N101-E103 VanDerWaalsContact C-N 3.34Å; N101-E103 PolarHBondContact O-N 3.3Å; N101-E103 PolarHBondContact OD1-N 3.07Å; E103-G107 WeakPolarHBondContact O-CA 3.23Å; E103-G107 PolarHBondContact O-N 3.3Å
104Q87.3Confident88.4Confident79 Ų7970.6 Ų70.637%0.36934%0.342SS..Hα-helixtrans-68.8-40.4173.8-65.6167.2-33.200111.8Y100 N101 G107 M108Y100-Q104 HydrophobicContact CD1-CB 3.7Å; Y100-Q104 HydrophobicContact CE1-CB 4.49Å; N101-Q104 VanDerWaalsContact ND2-CD 3.33Å; N101-Q104 PolarHBondContact ND2-OE1 2.83Å; N101-Q104 PolarHBondContact O-N 2.96Å; N101-Q104 WeakPolarHBondContact OD1-CG 3.21Å; N101-Q104 PolarHBondContact OD1-N 3.37Å; Q104-G107 PolarHBondContact O-N 2.91Å; Q104-M108 WeakPolarHBondContact O-CG 3.45Å; Q104-M108 PolarHBondContact O-N 3.41Å
105A90.8Very high88.4Confident1 Ų173.1 Ų73.11%0.00836%0.356CS..Hα-helixtrans-64.1-47.6175.900000111.1Y90 A94 N101 V102 G107 M108 L109Y90-A105 HydrophobicContact CE1-CB 4.16Å; Y90-A105 WeakPolarHBondContact CE1-O 3.5Å; Y90-A105 PolarHBondContact OH-O 2.8Å; A94-A105 HydrophobicContact CB-CB 3.72Å; N101-A105 PolarHBondContact O-N 3.17Å; V102-A105 PolarHBondContact O-N 3.3Å; A105-G107 VanDerWaalsContact C-N 3.31Å; A105-G107 PolarHBondContact O-N 3.05Å; A105-M108 PolarHBondContact O-N 3.16Å; A105-L109 PolarHBondContact O-N 3.03Å
106L91.3Very high88.5Confident27 Ų2768.8 Ų68.814%0.14134%0.339CS..Hα-helixtrans-61.7-39.5172.5-67.9177.8000111.8W76 L87 I91 V102 M108 L109 F110W76-L106 HydrophobicContact CB-CB 4.21Å; W76-L106 HydrophobicContact CD2-CB 3.93Å; W76-L106 HydrophobicContact CD2-CD1 4.35Å; W76-L106 HydrophobicContact CD2-CD2 3.92Å; W76-L106 HydrophobicContact CD2-CG 4.29Å; W76-L106 HydrophobicContact CE3-CB 3.79Å; W76-L106 HydrophobicContact CE3-CD2 3.9Å; W76-L106 HydrophobicContact CE3-CG 4.38Å; W76-L106 HydrophobicContact CG-CB 4.13Å; W76-L106 HydrophobicContact CG-CD1 4.25Å; W76-L106 HydrophobicContact CH2-CD2 3.85Å; W76-L106 HydrophobicContact CZ2-CD2 3.86Å; W76-L106 HydrophobicContact CZ3-CB 4.45Å; W76-L106 HydrophobicContact CZ3-CD2 3.87Å; L87-L106 HydrophobicContact CD1-CD2 3.94Å; I91-L106 HydrophobicContact CD1-CD2 4.06Å; I91-L106 HydrophobicContact CG1-CD2 4.47Å; V102-L106 HydrophobicContact CG1-CD1 4.12Å; V102-L106 HydrophobicContact CG1-CG 4.41Å; V102-L106 WeakPolarHBondContact O-CB 3.18Å; V102-L106 VanDerWaalsContact O-CG 3.3Å; V102-L106 WeakPolarHBondContact O-CG 3.46Å; V102-L106 PolarHBondContact O-N 2.84Å; L106-M108 PolarHBondContact O-N 3.4Å; L106-L109 PolarHBondContact O-N 3.47Å; L106-F110 WeakPolarHBondContact O-CB 3.46Å; L106-F110 PolarHBondContact O-N 2.83Å
107G90.4Very high88.6Confident19 Ų1968.9 Ų68.920%0.19634%0.339CS..Hα-helixtrans-54.2-48.5173.100000113.6V75 E103 Q104 A105 F110 W111V75-G107 VanDerWaalsContact O-CA 3.27Å; V75-G107 WeakPolarHBondContact O-CA 3.44Å; E103-G107 WeakPolarHBondContact O-CA 3.23Å; E103-G107 PolarHBondContact O-N 3.3Å; Q104-G107 PolarHBondContact O-N 2.91Å; A105-G107 VanDerWaalsContact C-N 3.31Å; A105-G107 PolarHBondContact O-N 3.05Å; G107-F110 PolarHBondContact O-N 3.28Å; G107-W111 WeakPolarHBondContact O-CB 3.24Å; G107-W111 PolarHBondContact O-N 2.98Å
108M90.3Very high88.9Confident27 Ų2767.8 Ų67.813%0.13333%0.334CS..Hα-helixtrans-66.4-44.5175.8-66.2-94.856.600111.2Y100 Q104 A105 L106 F110 W111 H112 F126Y100-M108 HydrophobicContact CD1-CG 4.38Å; Y100-M108 HydrophobicContact CE1-CG 3.69Å; Y100-M108 HydrophobicContact CE1-SD 4.13Å; Q104-M108 WeakPolarHBondContact O-CG 3.45Å; Q104-M108 PolarHBondContact O-N 3.41Å; A105-M108 PolarHBondContact O-N 3.16Å; L106-M108 PolarHBondContact O-N 3.4Å; M108-F110 VanDerWaalsContact C-N 3.3Å; M108-F110 PolarHBondContact O-N 2.94Å; M108-W111 HydrophobicContact CE-CB 4.26Å; M108-W111 HydrophobicContact CE-CG 4.25Å; M108-W111 WeakPolarHBondContact O-CB 3.44Å; M108-W111 PolarHBondContact O-N 3.13Å; M108-W111 VanDerWaalsContact O-N 3.16Å; M108-H112 PolarHBondContact O-CD2 3.4Å; M108-H112 PolarHBondContact O-N 2.82Å; M108-F126 HydrophobicContact SD-CB 3.97Å; M108-F126 HydrophobicContact SD-CD2 4.31Å; M108-F126 HydrophobicContact SD-CG 4.34Å
109L92.3Very high89.4Confident0 Ų065.7 Ų65.70%033%0.325CS..Hα-helixtrans-62.1-37.6178.6-174.558.5000112.5W76 I82 L87 Y90 A105 L106 H112 K113 H114 I116W76-L109 HydrophobicContact CH2-CD2 3.87Å; W76-L109 HydrophobicContact CH2-CG 4.37Å; W76-L109 HydrophobicContact CZ3-CB 4.05Å; W76-L109 HydrophobicContact CZ3-CD2 3.85Å; W76-L109 HydrophobicContact CZ3-CG 3.93Å; I82-L109 HydrophobicContact CD1-CD1 4.36Å; I82-L109 HydrophobicContact CD1-CD2 3.82Å; I82-L109 HydrophobicContact CD1-CG 4.33Å; L87-L109 HydrophobicContact CD1-CD2 3.3Å; Y90-L109 HydrophobicContact CD1-CD2 3.85Å; Y90-L109 HydrophobicContact CE1-CB 3.76Å; Y90-L109 HydrophobicContact CE1-CD2 3.89Å; Y90-L109 HydrophobicContact CE1-CG 4.31Å; A105-L109 PolarHBondContact O-N 3.03Å; L106-L109 PolarHBondContact O-N 3.47Å; L109-H112 PolarHBondContact O-N 3.44Å; L109-K113 PolarHBondContact O-N 3.36Å; L109-H114 VanDerWaalsContact O-CA 3.31Å; L109-H114 WeakPolarHBondContact O-CA 3.24Å; L109-H114 PolarHBondContact O-N 2.99Å; L109-I116 HydrophobicContact CD1-CB 4.49Å; L109-I116 HydrophobicContact CD1-CG1 3.88Å
110F91.7Very high89.9Confident60 Ų6065.5 Ų65.526%0.26331%0.309SS..Hα-helixtrans-64.5-45.8172.3-177.5-116.6000111.8L74 V75 W76 S77 L106 G107 M108 H112 K113 H114L74-F110 HydrophobicContact CD2-CE1 4.31Å; L74-F110 HydrophobicContact CD2-CZ 3.78Å; L74-F110 HydrophobicContact CG-CE1 4.1Å; L74-F110 HydrophobicContact CG-CZ 3.99Å; L74-F110 WeakPolarHBondContact O-CE1 3.21Å; V75-F110 VanDerWaalsContact O-CB 3.25Å; V75-F110 WeakPolarHBondContact O-CB 3.33Å; W76-F110 HydrophobicContact CE3-CB 4.07Å; S77-F110 WeakPolarHBondContact OG-CE2 3.27Å; L106-F110 WeakPolarHBondContact O-CB 3.46Å; L106-F110 PolarHBondContact O-N 2.83Å; G107-F110 PolarHBondContact O-N 3.28Å; M108-F110 VanDerWaalsContact C-N 3.3Å; M108-F110 PolarHBondContact O-N 2.94Å; F110-H112 VanDerWaalsContact C-N 3.28Å; F110-H112 PolarHBondContact O-N 3.45Å; F110-K113 WeakPolarHBondContact O-CA 3.46Å; F110-K113 PolarHBondContact O-N 2.97Å; F110-H114 AromaticContact CD2-CE1 3.67Å
111W89.4Confident90.1Very high198 Ų19868.2 Ų68.275%0.7533%0.333SS*.Hα-helixtrans-56.1-41.1175.4-173.4-88.4000112.4G107 M108 K113G107-W111 WeakPolarHBondContact O-CB 3.24Å; G107-W111 PolarHBondContact O-N 2.98Å; M108-W111 HydrophobicContact CE-CB 4.26Å; M108-W111 HydrophobicContact CE-CG 4.25Å; M108-W111 WeakPolarHBondContact O-CB 3.44Å; M108-W111 PolarHBondContact O-N 3.13Å; M108-W111 VanDerWaalsContact O-N 3.16Å; W111-K113 PolarHBondContact O-N 2.71Å
112H91.1Very high90.2Very high33 Ų3367.3 Ų67.315%0.15333%0.328CS..THydrogen-bonded Turntrans-80.414.7175-67.9-75.8000114.3M108 L109 F110 H114 N115 K118 S119 D122M108-H112 PolarHBondContact O-CD2 3.4Å; M108-H112 PolarHBondContact O-N 2.82Å; L109-H112 PolarHBondContact O-N 3.44Å; F110-H112 VanDerWaalsContact C-N 3.28Å; F110-H112 PolarHBondContact O-N 3.45Å; H112-H114 VanDerWaalsContact C-N 3.34Å; H112-H114 PolarHBondContact O-N 2.73Å; H112-N115 VanDerWaalsContact O-CB 3.29Å; H112-N115 WeakPolarHBondContact O-CB 3.41Å; H112-N115 PolarHBondContact O-N 2.79Å; H112-K118 HydrophobicContact CB-CB 4.34Å; H112-S119 VanDerWaalsContact CD2-CA 3.49Å; H112-S119 WeakPolarHBondContact CD2-CA 3.36Å; H112-D122 IonicContact CE1-OD2 2.71Å; H112-D122 PolarHBondContact CE1-OD2 3.23Å; H112-D122 IonicContact NE2-OD2 2.68Å
113K89.4Confident90.1Very high183 Ų18363.9 Ų63.980%0.79631%0.307SS*.THydrogen-bonded Turntrans53.649-178.9-56.7-175.7179.8-174.80112.2L109 F110 W111 N115L109-K113 PolarHBondContact O-N 3.36Å; F110-K113 WeakPolarHBondContact O-CA 3.46Å; F110-K113 PolarHBondContact O-N 2.97Å; W111-K113 PolarHBondContact O-N 2.71Å; K113-N115 PolarHBondContact O-N 3.24Å; K113-N115 VanDerWaalsContact O-N 3.16Å
114H91.4Very high89.8Confident22 Ų2260.2 Ų60.210%0.10230%0.296CS..THydrogen-bonded Turntrans62.120.4178.2-57.692.7000114.4W76 S77 Y79 I82 L109 F110 H112 I116W76-H114 AromaticContact CE3-NE2 3.94Å; W76-H114 AromaticContact CH2-CD2 3.49Å; W76-H114 VanDerWaalsContact CH2-CD2 3.49Å; W76-H114 WeakPolarHBondContact CH2-CD2 3.33Å; W76-H114 AromaticContact CH2-NE2 3.73Å; W76-H114 AromaticContact CZ3-CD2 3.44Å; W76-H114 VanDerWaalsContact CZ3-CD2 3.44Å; W76-H114 WeakPolarHBondContact CZ3-CD2 3.49Å; W76-H114 AromaticContact CZ3-NE2 3.49Å; W76-H114 WeakPolarHBondContact CZ3-NE2 3.35Å; S77-H114 PolarHBondContact O-NE2 3.24Å; Y79-H114 WeakPolarHBondContact CB-CD2 3.33Å; Y79-H114 VanDerWaalsContact CB-CG 3.45Å; Y79-H114 HydrophobicContact CD1-CB 3.43Å; Y79-H114 VanDerWaalsContact CD1-CB 3.43Å; Y79-H114 AromaticContact CD1-CG 3.72Å; Y79-H114 HydrophobicContact CE1-CB 4.08Å; Y79-H114 HydrophobicContact CG-CB 3.96Å; Y79-H114 AromaticContact CG-CG 3.68Å; Y79-H114 AromaticContact CG-ND1 3.74Å; I82-H114 HydrophobicContact CD1-CB 3.98Å; L109-H114 VanDerWaalsContact O-CA 3.31Å; L109-H114 WeakPolarHBondContact O-CA 3.24Å; L109-H114 PolarHBondContact O-N 2.99Å; F110-H114 AromaticContact CD2-CE1 3.67Å; H112-H114 VanDerWaalsContact C-N 3.34Å; H112-H114 PolarHBondContact O-N 2.73Å; H114-I116 PolarHBondContact O-N 3.16Å
115N90.2Very high89.3Confident54 Ų5461.7 Ų61.729%0.28931%0.306SS..  trans-89.8102.6173.9-170.7-78.3000111.3H112 K113 E117 K118 S119H112-N115 VanDerWaalsContact O-CB 3.29Å; H112-N115 WeakPolarHBondContact O-CB 3.41Å; H112-N115 PolarHBondContact O-N 2.79Å; K113-N115 PolarHBondContact O-N 3.24Å; K113-N115 VanDerWaalsContact O-N 3.16Å; N115-E117 PolarHBondContact O-N 3.18Å; N115-E117 PolarHBondContact OD1-N 3.17Å; N115-K118 HydrophobicContact CB-CB 4.37Å; N115-K118 HydrophobicContact CB-CD 4.25Å; N115-K118 WeakPolarHBondContact OD1-CB 3.49Å; N115-K118 VanDerWaalsContact OD1-CG 3.23Å; N115-K118 WeakPolarHBondContact OD1-CG 3.42Å; N115-K118 PolarHBondContact OD1-N 2.93Å; N115-S119 PolarHBondContact O-N 3.07Å; N115-S119 VanDerWaalsContact O-N 3.12Å
116I91.3Very high88.4Confident37 Ų3767.4 Ų67.419%0.1933%0.331CS..Hα-helixtrans-57.1-48.2-179.1-65.9174.4000111.7I82 K86 Y90 L109 H114 K118 S119 L120I82-I116 HydrophobicContact CD1-CD1 4.32Å; I82-I116 HydrophobicContact CD1-CG1 4.23Å; I82-I116 HydrophobicContact CG2-CD1 4Å; K86-I116 HydrophobicContact CB-CD1 4.08Å; Y90-I116 HydrophobicContact CD2-CG2 3.95Å; Y90-I116 HydrophobicContact CG-CG2 4.37Å; L109-I116 HydrophobicContact CD1-CB 4.49Å; L109-I116 HydrophobicContact CD1-CG1 3.88Å; H114-I116 PolarHBondContact O-N 3.16Å; I116-K118 PolarHBondContact O-N 3.35Å; I116-S119 PolarHBondContact O-N 3.46Å; I116-L120 HydrophobicContact CG2-CD1 3.77Å; I116-L120 HydrophobicContact CG2-CG 4.1Å; I116-L120 WeakPolarHBondContact O-CB 3.37Å; I116-L120 WeakPolarHBondContact O-CG 3.46Å; I116-L120 PolarHBondContact O-N 3.19Å
117E90.8Very high87.1Confident158 Ų15869.5 Ų69.574%0.73835%0.346SS*.Hα-helixtrans-60.6-43.8-174.9-65.1171-17800112.7N115 A121N115-E117 PolarHBondContact O-N 3.18Å; N115-E117 PolarHBondContact OD1-N 3.17Å; E117-A121 PolarHBondContact O-N 2.88Å; E117-A121 VanDerWaalsContact O-N 3.14Å
118K89.9Confident85.4Confident130 Ų13070.3 Ų70.357%0.56535%0.347SS*.Hα-helixtrans-67.5-42.2175.7-71.7173.3-174.7179.70111.6H112 N115 I116 A121 D122H112-K118 HydrophobicContact CB-CB 4.34Å; N115-K118 HydrophobicContact CB-CB 4.37Å; N115-K118 HydrophobicContact CB-CD 4.25Å; N115-K118 WeakPolarHBondContact OD1-CB 3.49Å; N115-K118 VanDerWaalsContact OD1-CG 3.23Å; N115-K118 WeakPolarHBondContact OD1-CG 3.42Å; N115-K118 PolarHBondContact OD1-N 2.93Å; I116-K118 PolarHBondContact O-N 3.35Å; K118-A121 PolarHBondContact O-N 2.89Å; K118-D122 PolarHBondContact O-N 3.31Å
119S92.2Very high83.3Confident0 Ų078.6 Ų78.60%038%0.383CS..Hα-helixtrans-63.8-44.1178-166.80000111.6Y90 H112 N115 I116 A121 D122 L123Y90-S119 PolarHBondContact OH-OG 3.48Å; H112-S119 VanDerWaalsContact CD2-CA 3.49Å; H112-S119 WeakPolarHBondContact CD2-CA 3.36Å; N115-S119 PolarHBondContact O-N 3.07Å; N115-S119 VanDerWaalsContact O-N 3.12Å; I116-S119 PolarHBondContact O-N 3.46Å; S119-A121 VanDerWaalsContact C-N 3.27Å; S119-A121 PolarHBondContact O-N 3.38Å; S119-D122 PolarHBondContact O-N 3.28Å; S119-D122 VanDerWaalsContact O-N 3.12Å; S119-L123 WeakPolarHBondContact O-CG 3.35Å; S119-L123 PolarHBondContact O-N 3.16Å
120L90.3Very high81.6Confident56 Ų5683.6 Ų83.629%0.29342%0.415SS..Hα-helixtrans-58.6-35.3174.1-73.1177.7000113.2Y90 I93 I116 D122 L123Y90-L120 HydrophobicContact CD2-CD2 3.62Å; Y90-L120 HydrophobicContact CD2-CG 3.88Å; Y90-L120 HydrophobicContact CE2-CD2 3.98Å; Y90-L120 HydrophobicContact CE2-CG 4.21Å; I93-L120 HydrophobicContact CB-CD2 4.22Å; I93-L120 HydrophobicContact CG2-CD2 3.63Å; I116-L120 HydrophobicContact CG2-CD1 3.77Å; I116-L120 HydrophobicContact CG2-CG 4.1Å; I116-L120 WeakPolarHBondContact O-CB 3.37Å; I116-L120 WeakPolarHBondContact O-CG 3.46Å; I116-L120 PolarHBondContact O-N 3.19Å; L120-D122 VanDerWaalsContact C-N 3.33Å; L120-L123 HydrophobicContact CD2-CD1 3.78Å
121A90.1Very high80.2Confident65 Ų6588.4 Ų88.454%0.53744%0.444SS..Hα-helixtrans-70.8-27.2177.700000113.4E117 K118 S119E117-A121 PolarHBondContact O-N 2.88Å; E117-A121 VanDerWaalsContact O-N 3.14Å; K118-A121 PolarHBondContact O-N 2.89Å; S119-A121 VanDerWaalsContact C-N 3.27Å; S119-A121 PolarHBondContact O-N 3.38Å
122D87.4Confident79.2Confident49 Ų4985.8 Ų85.826%0.26244%0.44SS..Hα-helixtrans-100.4-13.4-178.7-85.1-45.5000114.4H112 K118 S119 L120 P124 N125 F126H112-D122 IonicContact CE1-OD2 2.71Å; H112-D122 PolarHBondContact CE1-OD2 3.23Å; H112-D122 IonicContact NE2-OD2 2.68Å; K118-D122 PolarHBondContact O-N 3.31Å; S119-D122 PolarHBondContact O-N 3.28Å; S119-D122 VanDerWaalsContact O-N 3.12Å; L120-D122 VanDerWaalsContact C-N 3.33Å; D122-P124 VanDerWaalsContact C-N 3.31Å; D122-N125 WeakPolarHBondContact O-CA 3.35Å; D122-N125 WeakPolarHBondContact O-CB 3.47Å; D122-N125 PolarHBondContact O-N 3.28Å; D122-N125 PolarHBondContact OD1-ND2 3.17Å; D122-F126 HydrophobicContact CB-CD2 4.09Å; D122-F126 HydrophobicContact CB-CE2 4.16Å; D122-F126 WeakPolarHBondContact O-CD2 3.45Å; D122-F126 PolarHBondContact O-N 3.19Å; D122-F126 VanDerWaalsContact O-N 3.14Å
123L86.2Confident78.6Confident0 Ų085.7 Ų85.70%044%0.438CS..THydrogen-bonded Turntrans-49.4-41.4170.4-74.5174.9000114Y90 A94 H98 Y100 S119 L120 N125 T127Y90-L123 HydrophobicContact CE2-CD1 4.24Å; A94-L123 HydrophobicContact CB-CD1 3.73Å; A94-L123 HydrophobicContact CB-CD2 3.95Å; H98-L123 HydrophobicContact CB-CB 4.35Å; Y100-L123 HydrophobicContact CD1-CD2 4.05Å; Y100-L123 HydrophobicContact CD2-CD2 3.82Å; Y100-L123 HydrophobicContact CE1-CD2 3.84Å; Y100-L123 HydrophobicContact CE2-CB 4.24Å; Y100-L123 HydrophobicContact CE2-CD2 3.55Å; Y100-L123 HydrophobicContact CE2-CG 4.49Å; Y100-L123 WeakPolarHBondContact CE2-O 3.4Å; Y100-L123 HydrophobicContact CG-CD2 4.05Å; Y100-L123 PolarHBondContact OH-O 2.92Å; Y100-L123 VanDerWaalsContact OH-O 3.12Å; S119-L123 WeakPolarHBondContact O-CG 3.35Å; S119-L123 PolarHBondContact O-N 3.16Å; L120-L123 HydrophobicContact CD2-CD1 3.78Å; L123-N125 VanDerWaalsContact C-N 3.31Å; L123-N125 PolarHBondContact O-N 2.93Å; L123-T127 PolarHBondContact O-N 3.37Å; L123-T127 PolarHBondContact O-OG1 2.88Å
124P82Confident78.2Confident66 Ų6679.9 Ų79.943%0.42942%0.418SS..THydrogen-bonded Turntrans-64.9-36.1174.9-18.631.3000112.6D122 T127D122-P124 VanDerWaalsContact C-N 3.31Å; P124-T127 WeakPolarHBondContact CA-OG1 3.26Å; P124-T127 PolarHBondContact O-OG1 3.18Å
125N77.6Confident77.7Confident110 Ų11085 Ų8559%0.58845%0.445SS*.THydrogen-bonded Turntrans-74.3-28-172.9-60.7-30.5000112.6D122 L123D122-N125 WeakPolarHBondContact O-CA 3.35Å; D122-N125 WeakPolarHBondContact O-CB 3.47Å; D122-N125 PolarHBondContact O-N 3.28Å; D122-N125 PolarHBondContact OD1-ND2 3.17Å; L123-N125 VanDerWaalsContact C-N 3.31Å; L123-N125 PolarHBondContact O-N 2.93Å
126F72.1Confident77.3Confident121 Ų12188.3 Ų88.353%0.53146%0.459SS..THydrogen-bonded Turntrans-112.513.4-179.7-63.4-75.6000113.9Y100 M108 D122 P128Y100-F126 WeakPolarHBondContact OH-CB 3.34Å; Y100-F126 PolarHBondContact OH-O 3.24Å; Y100-F126 VanDerWaalsContact OH-O 3.1Å; M108-F126 HydrophobicContact SD-CB 3.97Å; M108-F126 HydrophobicContact SD-CD2 4.31Å; M108-F126 HydrophobicContact SD-CG 4.34Å; D122-F126 HydrophobicContact CB-CD2 4.09Å; D122-F126 HydrophobicContact CB-CE2 4.16Å; D122-F126 WeakPolarHBondContact O-CD2 3.45Å; D122-F126 PolarHBondContact O-N 3.19Å; D122-F126 VanDerWaalsContact O-N 3.14Å; F126-P128 WeakPolarHBondContact O-CD 3.46Å
127T62.6Low77.3Confident72 Ų7287.3 Ų87.344%0.44245%0.453SS..  trans-41.6109178-55.50000110.3Y100 L123 P124 F129Y100-T127 PolarHBondContact OH-N 3.33Å; L123-T127 PolarHBondContact O-N 3.37Å; L123-T127 PolarHBondContact O-OG1 2.88Å; P124-T127 WeakPolarHBondContact CA-OG1 3.26Å; P124-T127 PolarHBondContact O-OG1 3.18Å; T127-F129 PolarHBondContact O-N 2.79Å
128P55.7Low77.2Confident36 Ų3683.6 Ų83.623%0.23444%0.435CS..  trans-67.8139-17325.7-33.1000109.8Y100 F126 P130Y100-P128 HydrophobicContact CD2-CG 4.47Å; Y100-P128 VanDerWaalsContact CE2-CD 3.5Å; Y100-P128 HydrophobicContact CG-CG 4.48Å; F126-P128 WeakPolarHBondContact O-CD 3.46Å; P128-P130 WeakPolarHBondContact O-CD 3.48Å
129F45.5Very low77.2Confident201 Ų20181.8 Ų81.888%0.88243%0.434SS*.  trans-60.5123.1164.5-123.4-90.8000107.3T127 D131T127-F129 PolarHBondContact O-N 2.79Å; F129-D131 PolarHBondContact O-N 3.26Å
130P55.8Low77.1Confident105 Ų10585 Ų8568%0.68245%0.452SS*.  trans-69.7104.6-169.425.3-33.6000110.8P128 E132P128-P130 WeakPolarHBondContact O-CD 3.48Å; P130-E132 PolarHBondContact O-N 2.89Å
131D62.9Low77.3Confident161 Ų16182.4 Ų82.486%0.86144%0.438SS*.  trans-75.933.5174.1-168.636000112F129F129-D131 PolarHBondContact O-N 3.26Å
132E68.1Low77.4Confident143 Ų14382.7 Ų82.767%0.66843%0.428SS*.SBendtrans-119.8127.8-173.8-66.4-157.3145.900111.2P130 T134P130-E132 PolarHBondContact O-N 2.89Å; E132-T134 PolarHBondContact O-N 3.1Å; E132-T134 VanDerWaalsContact O-N 3.09Å
133W78.3Confident77.6Confident31 Ų3185 Ų8512%0.11744%0.437CS..  trans-50112.6166.7-81.873.5000110.4D137 K138 F141 L159 K162 S166 L167 Y170W133-D137 HydrophobicContact CD2-CB 4.41Å; W133-D137 HydrophobicContact CE3-CB 3.61Å; W133-D137 HydrophobicContact CZ3-CB 4.09Å; W133-K138 HydrophobicContact CB-CG 4.21Å; W133-K138 HydrophobicContact CE3-CG 4.28Å; W133-K138 WeakPolarHBondContact O-CE 3.35Å; W133-K138 PolarHBondContact O-NZ 3.44Å; W133-F141 HydrophobicContact CH2-CB 4.12Å; W133-F141 AromaticContact CH2-CD2 3.86Å; W133-F141 HydrophobicContact CH2-CD2 3.86Å; W133-F141 HydrophobicContact CH2-CG 4.18Å; W133-F141 HydrophobicContact CZ3-CB 3.65Å; W133-F141 HydrophobicContact CZ3-CD2 4.25Å; W133-F141 HydrophobicContact CZ3-CG 4.11Å; W133-L159 HydrophobicContact CH2-CD1 4.12Å; W133-L159 HydrophobicContact CZ3-CD1 4.04Å; W133-K162 HydrophobicContact CH2-CG 4.41Å; W133-K162 HydrophobicContact CZ2-CB 4.39Å; W133-K162 HydrophobicContact CZ2-CG 4.32Å; W133-S166 PolarHBondContact NE1-OG 2.61Å; W133-L167 HydrophobicContact CH2-CD2 3.61Å; W133-L167 HydrophobicContact CZ2-CD2 3.98Å; W133-Y170 HydrophobicContact CD2-CD1 4.46Å; W133-Y170 AromaticContact CD2-CD2 3.66Å; W133-Y170 HydrophobicContact CD2-CD2 3.66Å; W133-Y170 HydrophobicContact CD2-CE2 4.24Å; W133-Y170 AromaticContact CD2-CG 3.81Å; W133-Y170 HydrophobicContact CD2-CG 3.81Å; W133-Y170 AromaticContact CE2-CD2 3.93Å; W133-Y170 AromaticContact CE2-CG 3.73Å; W133-Y170 HydrophobicContact CE3-CD1 4.13Å; W133-Y170 AromaticContact CE3-CD2 3.97Å; W133-Y170 HydrophobicContact CE3-CD2 3.97Å; W133-Y170 HydrophobicContact CE3-CE1 4.38Å; W133-Y170 HydrophobicContact CE3-CE2 4.23Å; W133-Y170 AromaticContact CE3-CG 3.94Å; W133-Y170 HydrophobicContact CE3-CG 3.94Å; W133-Y170 AromaticContact CG-CD2 3.93Å; W133-Y170 HydrophobicContact CG-CD2 3.93Å; W133-Y170 HydrophobicContact CG-CE2 4.42Å; W133-Y170 AromaticContact CH2-CD1 3.93Å; W133-Y170 HydrophobicContact CH2-CD1 3.93Å; W133-Y170 AromaticContact CH2-CG 3.92Å; W133-Y170 HydrophobicContact CH2-CG 3.92Å; W133-Y170 VanDerWaalsContact CZ2-CB 3.42Å; W133-Y170 HydrophobicContact CZ2-CD1 4.27Å; W133-Y170 HydrophobicContact CZ2-CD2 4.45Å; W133-Y170 AromaticContact CZ2-CG 3.79Å; W133-Y170 HydrophobicContact CZ2-CG 3.79Å; W133-Y170 AromaticContact CZ3-CD1 3.87Å; W133-Y170 HydrophobicContact CZ3-CD1 3.87Å; W133-Y170 HydrophobicContact CZ3-CD2 4.49Å; W133-Y170 HydrophobicContact CZ3-CE1 4.29Å; W133-Y170 HydrophobicContact CZ3-CG 4.01Å
134T82.4Confident77.8Confident60 Ų6085.2 Ų85.237%0.36844%0.439SS..  trans-70.1174.9179.380.80000111.2E132 E136 D137 K138E132-T134 PolarHBondContact O-N 3.1Å; E132-T134 VanDerWaalsContact O-N 3.09Å; T134-E136 VanDerWaalsContact C-N 3.3Å; T134-E136 WeakPolarHBondContact CB-OE2 3.44Å; T134-E136 PolarHBondContact OG1-N 3.15Å; T134-E136 PolarHBondContact OG1-OE2 3.26Å; T134-D137 PolarHBondContact N-OD2 3Å; T134-D137 PolarHBondContact OG1-N 3.12Å; T134-D137 PolarHBondContact OG1-OD2 3.16Å; T134-K138 VanDerWaalsContact O-CD 3.27Å; T134-K138 WeakPolarHBondContact O-CD 3.44Å; T134-K138 WeakPolarHBondContact O-CG 3.31Å; T134-K138 PolarHBondContact O-N 3.2Å
135I79.8Confident78.4Confident129 Ų12984.2 Ų84.266%0.66243%0.428SS*.Hα-helixtrans-68.6-37.4176.3-59.6178.1000109.4K138 V139I135-K138 PolarHBondContact O-N 3.26Å; I135-V139 WeakPolarHBondContact O-CG2 3.43Å; I135-V139 PolarHBondContact O-N 2.89Å; I135-V139 VanDerWaalsContact O-N 3.08Å
136E82.8Confident78.9Confident125 Ų12582.7 Ų82.758%0.58443%0.426SS*.Hα-helixtrans-61.4-48173.8-53.373.6-161.700111.3T134 K138 V139 L140T134-E136 VanDerWaalsContact C-N 3.3Å; T134-E136 WeakPolarHBondContact CB-OE2 3.44Å; T134-E136 PolarHBondContact OG1-N 3.15Å; T134-E136 PolarHBondContact OG1-OE2 3.26Å; E136-K138 VanDerWaalsContact C-N 3.28Å; E136-K138 PolarHBondContact O-N 3.3Å; E136-V139 PolarHBondContact O-N 2.87Å; E136-L140 WeakPolarHBondContact O-CB 3.47Å; E136-L140 WeakPolarHBondContact O-CG 3.39Å; E136-L140 PolarHBondContact O-N 3.49Å
137D90.4Very high79.6Confident15 Ų1583.8 Ų83.88%0.0843%0.431CS..Hα-helixtrans-55.3-44175.8-75.5-52.8000112.1W133 T134 L140 F141 K162W133-D137 HydrophobicContact CD2-CB 4.41Å; W133-D137 HydrophobicContact CE3-CB 3.61Å; W133-D137 HydrophobicContact CZ3-CB 4.09Å; T134-D137 PolarHBondContact N-OD2 3Å; T134-D137 PolarHBondContact OG1-N 3.12Å; T134-D137 PolarHBondContact OG1-OD2 3.16Å; D137-L140 PolarHBondContact O-N 3.07Å; D137-F141 WeakPolarHBondContact O-CB 3.42Å; D137-F141 PolarHBondContact O-N 3.21Å; D137-K162 VanDerWaalsContact CG-CE 3.45Å; D137-K162 WeakPolarHBondContact OD1-CE 3.43Å; D137-K162 IonicContact OD1-NZ 3.77Å; D137-K162 PolarHBondContact OD1-NZ 3.5Å; D137-K162 WeakPolarHBondContact OD2-CE 3.35Å; D137-K162 IonicContact OD2-NZ 3.96Å; D137-K162 PolarHBondContact OD2-NZ 2.9Å
138K88.4Confident80.9Confident81 Ų8183.2 Ų83.235%0.35242%0.423SS..Hα-helixtrans-66.4-41.4-177.4-68.1163.9176139.60111W133 T134 I135 E136 E142 Y170W133-K138 HydrophobicContact CB-CG 4.21Å; W133-K138 HydrophobicContact CE3-CG 4.28Å; W133-K138 WeakPolarHBondContact O-CE 3.35Å; W133-K138 PolarHBondContact O-NZ 3.44Å; T134-K138 VanDerWaalsContact O-CD 3.27Å; T134-K138 WeakPolarHBondContact O-CD 3.44Å; T134-K138 WeakPolarHBondContact O-CG 3.31Å; T134-K138 PolarHBondContact O-N 3.2Å; I135-K138 PolarHBondContact O-N 3.26Å; E136-K138 VanDerWaalsContact C-N 3.28Å; E136-K138 PolarHBondContact O-N 3.3Å; K138-E142 WeakPolarHBondContact O-CB 3.21Å; K138-E142 PolarHBondContact O-N 2.83Å; K138-Y170 HydrophobicContact CG-CE2 3.98Å; K138-Y170 WeakPolarHBondContact CG-OH 3.32Å
139V90.3Very high82.5Confident91 Ų9182.8 Ų82.855%0.55243%0.425SS*.Hα-helixtrans-68.8-43.6175.1173.10000111.3I135 E136 F141 E142 Q143I135-V139 WeakPolarHBondContact O-CG2 3.43Å; I135-V139 PolarHBondContact O-N 2.89Å; I135-V139 VanDerWaalsContact O-N 3.08Å; E136-V139 PolarHBondContact O-N 2.87Å; V139-F141 PolarHBondContact O-N 2.84Å; V139-E142 PolarHBondContact O-N 3.28Å; V139-Q143 WeakPolarHBondContact O-CB 3.39Å; V139-Q143 PolarHBondContact O-N 3.32Å
140L91.4Very high84.7Confident69 Ų6980.2 Ų80.236%0.36141%0.413SS..Hα-helixtrans-60.5-43.1175.5-81.2164.1000112E136 D137 A144 L159E136-L140 WeakPolarHBondContact O-CB 3.47Å; E136-L140 WeakPolarHBondContact O-CG 3.39Å; E136-L140 PolarHBondContact O-N 3.49Å; D137-L140 PolarHBondContact O-N 3.07Å; L140-A144 WeakPolarHBondContact O-CB 3.3Å; L140-A144 PolarHBondContact O-N 3.27Å; L140-L159 HydrophobicContact CB-CD1 4.39Å; L140-L159 HydrophobicContact CB-CD2 3.74Å; L140-L159 HydrophobicContact CB-CG 4.13Å; L140-L159 HydrophobicContact CD1-CD2 3.89Å; L140-L159 HydrophobicContact CG-CD2 4.44Å
141F93.3Very high86.5Confident0 Ų078 Ų780%040%0.401CS..Hα-helixtrans-63.1-44.3174.5173.9-85.3000111.8W133 D137 V139 A144 F145 F152 I155 L159 L167 Y170 W174W133-F141 HydrophobicContact CH2-CB 4.12Å; W133-F141 AromaticContact CH2-CD2 3.86Å; W133-F141 HydrophobicContact CH2-CD2 3.86Å; W133-F141 HydrophobicContact CH2-CG 4.18Å; W133-F141 HydrophobicContact CZ3-CB 3.65Å; W133-F141 HydrophobicContact CZ3-CD2 4.25Å; W133-F141 HydrophobicContact CZ3-CG 4.11Å; D137-F141 WeakPolarHBondContact O-CB 3.42Å; D137-F141 PolarHBondContact O-N 3.21Å; V139-F141 PolarHBondContact O-N 2.84Å; F141-A144 PolarHBondContact O-N 3Å; F141-F145 HydrophobicContact CE1-CB 4.23Å; F141-F145 HydrophobicContact CE1-CD2 4.41Å; F141-F145 HydrophobicContact CE1-CG 4.45Å; F141-F145 HydrophobicContact CZ-CB 4.46Å; F141-F145 HydrophobicContact CZ-CD2 4.07Å; F141-F145 WeakPolarHBondContact O-CB 3.29Å; F141-F145 PolarHBondContact O-N 3.47Å; F141-F152 HydrophobicContact CE2-CE1 4.33Å; F141-I155 HydrophobicContact CD2-CG2 3.86Å; F141-I155 HydrophobicContact CE2-CD1 4.14Å; F141-I155 HydrophobicContact CE2-CG2 4.29Å; F141-L159 HydrophobicContact CB-CD1 3.78Å; F141-L167 HydrophobicContact CD2-CD2 4.29Å; F141-Y170 HydrophobicContact CB-CE1 4.44Å; F141-Y170 AromaticContact CD1-CD1 3.66Å; F141-Y170 HydrophobicContact CD1-CD1 3.66Å; F141-Y170 AromaticContact CD1-CE1 3.53Å; F141-Y170 HydrophobicContact CD1-CE1 3.53Å; F141-Y170 HydrophobicContact CD2-CD1 4.15Å; F141-Y170 AromaticContact CE1-CD1 3.86Å; F141-Y170 HydrophobicContact CE1-CD1 3.86Å; F141-Y170 AromaticContact CE1-CE1 3.97Å; F141-Y170 HydrophobicContact CE1-CE1 3.97Å; F141-Y170 HydrophobicContact CE2-CD1 4.31Å; F141-Y170 AromaticContact CG-CD1 3.84Å; F141-Y170 HydrophobicContact CG-CD1 3.84Å; F141-Y170 AromaticContact CG-CE1 3.99Å; F141-Y170 HydrophobicContact CG-CE1 3.99Å; F141-Y170 HydrophobicContact CZ-CD1 4.19Å; F141-W174 HydrophobicContact CE1-CD2 4.21Å; F141-W174 HydrophobicContact CE1-CE3 4.21Å; F141-W174 HydrophobicContact CE1-CZ3 4.49Å
142E92.3Very high88Confident71 Ų7171.8 Ų71.833%0.33237%0.366SS..Hα-helixtrans-62.2-45.2178.6179.6157156.100112K138 V139 F145 S146 W174 R178K138-E142 WeakPolarHBondContact O-CB 3.21Å; K138-E142 PolarHBondContact O-N 2.83Å; V139-E142 PolarHBondContact O-N 3.28Å; E142-F145 PolarHBondContact O-N 3Å; E142-S146 PolarHBondContact O-N 2.66Å; E142-W174 HydrophobicContact CB-CZ2 4.47Å; E142-W174 HydrophobicContact CG-CZ2 4.12Å; E142-W174 PolarHBondContact OE2-NE1 3.38Å; E142-R178 IonicContact OE1-CZ 3.64Å; E142-R178 VanDerWaalsContact OE1-CZ 3.28Å; E142-R178 IonicContact OE1-NH1 2.73Å; E142-R178 PolarHBondContact OE1-NH1 3.25Å; E142-R178 VanDerWaalsContact OE1-NH1 3.11Å; E142-R178 IonicContact OE1-NH2 3.73Å; E142-R178 PolarHBondContact OE1-NH2 3.05Å; E142-R178 IonicContact OE2-CZ 3.12Å; E142-R178 IonicContact OE2-NH1 2.71Å; E142-R178 PolarHBondContact OE2-NH1 2.94Å; E142-R178 IonicContact OE2-NH2 3.39Å
143Q91.4Very high89.3Confident99 Ų9971.3 Ų71.346%0.46336%0.363SS..Hα-helixtrans-64.4-47.5176.5-166.165.453.900111.4V139 F145 S146 F147V139-Q143 WeakPolarHBondContact O-CB 3.39Å; V139-Q143 PolarHBondContact O-N 3.32Å; Q143-F145 PolarHBondContact O-N 3.05Å; Q143-S146 PolarHBondContact NE2-OG 2.96Å; Q143-S146 WeakPolarHBondContact O-CB 3.23Å; Q143-S146 PolarHBondContact O-N 2.89Å; Q143-S146 PolarHBondContact O-OG 2.96Å; Q143-F147 HydrophobicContact CG-CD2 4.28Å; Q143-F147 HydrophobicContact CG-CE2 3.84Å; Q143-F147 VanDerWaalsContact NE2-CZ 3.35Å; Q143-F147 WeakPolarHBondContact O-CD2 3.23Å; Q143-F147 PolarHBondContact O-N 2.86Å
144A91.6Very high90Very high4 Ų475.4 Ų75.43%0.03338%0.379CS..Hα-helixtrans-64.8-38.7178.400000112.3L140 F141 S146 F147 H148 I155 M158L140-A144 WeakPolarHBondContact O-CB 3.3Å; L140-A144 PolarHBondContact O-N 3.27Å; F141-A144 PolarHBondContact O-N 3Å; A144-S146 VanDerWaalsContact C-N 3.32Å; A144-S146 PolarHBondContact O-N 3.49Å; A144-F147 PolarHBondContact O-N 3.48Å; A144-H148 VanDerWaalsContact O-CB 3.26Å; A144-H148 WeakPolarHBondContact O-CB 3.43Å; A144-H148 PolarHBondContact O-N 2.79Å; A144-I155 HydrophobicContact CB-CB 4.33Å; A144-I155 HydrophobicContact CB-CG1 4.04Å; A144-I155 HydrophobicContact CB-CG2 4.07Å; A144-M158 HydrophobicContact CB-CB 4.11Å; A144-M158 HydrophobicContact CB-CG 4.06Å
145F93.1Very high90.5Very high44 Ų4472.6 Ų72.619%0.19336%0.361CS..Hα-helixtrans-66.5-32.9174.2-173-86.6000111.8F141 E142 Q143 G149 K150 I155 Y171 W174F141-F145 HydrophobicContact CE1-CB 4.23Å; F141-F145 HydrophobicContact CE1-CD2 4.41Å; F141-F145 HydrophobicContact CE1-CG 4.45Å; F141-F145 HydrophobicContact CZ-CB 4.46Å; F141-F145 HydrophobicContact CZ-CD2 4.07Å; F141-F145 WeakPolarHBondContact O-CB 3.29Å; F141-F145 PolarHBondContact O-N 3.47Å; E142-F145 PolarHBondContact O-N 3Å; Q143-F145 PolarHBondContact O-N 3.05Å; F145-G149 WeakPolarHBondContact CD2-O 3.41Å; F145-G149 WeakPolarHBondContact CE2-O 3.24Å; F145-G149 VanDerWaalsContact O-CA 3.24Å; F145-G149 WeakPolarHBondContact O-CA 3.25Å; F145-G149 PolarHBondContact O-N 3.33Å; F145-K150 HydrophobicContact CE2-CG 4.23Å; F145-K150 HydrophobicContact CZ-CG 4.45Å; F145-I155 HydrophobicContact CB-CD1 4.04Å; F145-I155 HydrophobicContact CD2-CD1 3.92Å; F145-I155 HydrophobicContact CG-CD1 4.47Å; F145-Y171 HydrophobicContact CD2-CD2 4.41Å; F145-Y171 AromaticContact CE2-CD2 3.68Å; F145-Y171 HydrophobicContact CE2-CD2 3.68Å; F145-Y171 AromaticContact CE2-CE2 3.68Å; F145-Y171 HydrophobicContact CE2-CE2 3.68Å; F145-Y171 HydrophobicContact CZ-CD2 4.16Å; F145-Y171 AromaticContact CZ-CE2 3.78Å; F145-Y171 HydrophobicContact CZ-CE2 3.78Å; F145-W174 AromaticContact CD1-CH2 3.82Å; F145-W174 HydrophobicContact CD1-CH2 3.82Å; F145-W174 HydrophobicContact CD1-CZ3 4.1Å; F145-W174 HydrophobicContact CE1-CH2 4.11Å; F145-W174 HydrophobicContact CE1-CZ3 4.06Å; F145-W174 HydrophobicContact CG-CH2 4.43Å; F145-W174 HydrophobicContact CZ-CZ3 4.48Å
146S88.7Confident91.2Very high78 Ų7869.1 Ų69.155%0.54534%0.343SS..Hα-helixtrans-63.8-39175.381.40000112.8E142 Q143 A144E142-S146 PolarHBondContact O-N 2.66Å; Q143-S146 PolarHBondContact NE2-OG 2.96Å; Q143-S146 WeakPolarHBondContact O-CB 3.23Å; Q143-S146 PolarHBondContact O-N 2.89Å; Q143-S146 PolarHBondContact O-OG 2.96Å; A144-S146 VanDerWaalsContact C-N 3.32Å; A144-S146 PolarHBondContact O-N 3.49Å
147F87.4Confident91.7Very high145 Ų14569.4 Ų69.464%0.63634%0.344SS*.Hα-helixtrans-86.9-28.1179.4-65.9-53.8000114.3Q143 A144Q143-F147 HydrophobicContact CG-CD2 4.28Å; Q143-F147 HydrophobicContact CG-CE2 3.84Å; Q143-F147 VanDerWaalsContact NE2-CZ 3.35Å; Q143-F147 WeakPolarHBondContact O-CD2 3.23Å; Q143-F147 PolarHBondContact O-N 2.86Å; A144-F147 PolarHBondContact O-N 3.48Å
148H90Very high91.6Very high59 Ų5973.5 Ų73.527%0.27336%0.364SS..Hα-helixtrans-124.20-167.2-55.9-37.1000114A144 K150 S151 R154A144-H148 VanDerWaalsContact O-CB 3.26Å; A144-H148 WeakPolarHBondContact O-CB 3.43Å; A144-H148 PolarHBondContact O-N 2.79Å; H148-K150 PolarHBondContact O-N 2.9Å; H148-S151 WeakPolarHBondContact O-CB 3.48Å; H148-S151 PolarHBondContact O-N 3.44Å; H148-S151 VanDerWaalsContact O-N 3.12Å; H148-R154 HydrophobicContact CB-CB 4.3Å; H148-R154 HydrophobicContact CB-CG 3.8Å; H148-R154 WeakPolarHBondContact CD2-CG 3.41Å; H148-R154 VanDerWaalsContact CG-CG 3.41Å; H148-R154 PolarHBondContact NE2-NE 3.44Å; H148-R154 VanDerWaalsContact NE2-NE 3.18Å
149G89.1Confident91.7Very high27 Ų2770 Ų7028%0.27835%0.349SS..THydrogen-bonded Turntrans54.4-135.4177.100000112.3F145 S151 I155F145-G149 WeakPolarHBondContact CD2-O 3.41Å; F145-G149 WeakPolarHBondContact CE2-O 3.24Å; F145-G149 VanDerWaalsContact O-CA 3.24Å; F145-G149 WeakPolarHBondContact O-CA 3.25Å; F145-G149 PolarHBondContact O-N 3.33Å; G149-S151 PolarHBondContact O-N 2.88Å; G149-S151 VanDerWaalsContact O-N 3.16Å; G149-I155 WeakPolarHBondContact O-CD1 3.41Å
150K91Very high91.5Very high147 Ų14769.9 Ų69.964%0.63935%0.35SS*.THydrogen-bonded Turntrans-78.313.2179.9-57.9176.7-171.3167.30114.1F145 H148 F152F145-K150 HydrophobicContact CE2-CG 4.23Å; F145-K150 HydrophobicContact CZ-CG 4.45Å; H148-K150 PolarHBondContact O-N 2.9Å; K150-F152 VanDerWaalsContact C-N 3.27Å; K150-F152 HydrophobicContact CB-CE2 4.34Å; K150-F152 WeakPolarHBondContact O-CD2 3.14Å; K150-F152 PolarHBondContact O-N 3.05Å
151S93.2Very high91.2Very high59 Ų5973.5 Ų73.541%0.41337%0.37SS..  trans-7876.6178.5-167.90000110.8H148 G149 H153 R154 I155H148-S151 WeakPolarHBondContact O-CB 3.48Å; H148-S151 PolarHBondContact O-N 3.44Å; H148-S151 VanDerWaalsContact O-N 3.12Å; G149-S151 PolarHBondContact O-N 2.88Å; G149-S151 VanDerWaalsContact O-N 3.16Å; S151-H153 VanDerWaalsContact C-N 3.27Å; S151-H153 PolarHBondContact O-N 3.24Å; S151-R154 CarbonylContact O-C 3.35Å; S151-R154 WeakPolarHBondContact O-CA 3.35Å; S151-R154 WeakPolarHBondContact O-CB 3.05Å; S151-R154 PolarHBondContact O-N 3.47Å; S151-R154 WeakPolarHBondContact OG-CB 3.21Å; S151-I155 PolarHBondContact O-N 2.84Å
152F94.8Very high90.9Very high30 Ų3075.2 Ų75.213%0.13238%0.377CS..Hα-helixtrans-58.6-35.8-175.5-66.7-73.3000113.4F141 K150 R154 I155 Q156 I164 L167 V168 Y171F141-F152 HydrophobicContact CE2-CE1 4.33Å; K150-F152 VanDerWaalsContact C-N 3.27Å; K150-F152 HydrophobicContact CB-CE2 4.34Å; K150-F152 WeakPolarHBondContact O-CD2 3.14Å; K150-F152 PolarHBondContact O-N 3.05Å; F152-R154 PolarHBondContact O-N 2.86Å; F152-I155 HydrophobicContact CD1-CD1 4.35Å; F152-I155 PolarHBondContact O-N 3.07Å; F152-Q156 WeakPolarHBondContact O-CB 3.43Å; F152-Q156 PolarHBondContact O-N 3.31Å; F152-I164 HydrophobicContact CB-CG2 4.12Å; F152-L167 HydrophobicContact CD1-CB 3.83Å; F152-L167 HydrophobicContact CE1-CB 4.47Å; F152-L167 WeakPolarHBondContact O-CD1 3.46Å; F152-V168 HydrophobicContact CD1-CG2 3.97Å; F152-V168 HydrophobicContact CD2-CG2 3.75Å; F152-V168 HydrophobicContact CE1-CG2 4.05Å; F152-V168 HydrophobicContact CE2-CG2 3.84Å; F152-V168 HydrophobicContact CG-CG2 3.82Å; F152-V168 HydrophobicContact CZ-CG2 3.99Å; F152-Y171 HydrophobicContact CE1-CG 4.15Å; F152-Y171 AromaticContact CZ-CD1 3.87Å; F152-Y171 HydrophobicContact CZ-CD1 3.87Å; F152-Y171 HydrophobicContact CZ-CD2 4.29Å; F152-Y171 AromaticContact CZ-CG 3.73Å; F152-Y171 HydrophobicContact CZ-CG 3.73Å
153H94.8Very high90.9Very high133 Ų13375 Ų7562%0.61638%0.384SS*.Hα-helixtrans-60.2-31.3172.1-64.5101.2000113.1S151 I164S151-H153 VanDerWaalsContact C-N 3.27Å; S151-H153 PolarHBondContact O-N 3.24Å; H153-I164 VanDerWaalsContact CD2-CD1 3.46Å; H153-I164 WeakPolarHBondContact CD2-CD1 3.2Å; H153-I164 WeakPolarHBondContact NE2-CD1 3.34Å
154R93.2Very high91Very high118 Ų11873 Ų7345%0.44538%0.376SS..Hα-helixtrans-85.7-33.8177.2179.758173.8-148.5-7111.9H148 S151 F152 Q156 Q157H148-R154 HydrophobicContact CB-CB 4.3Å; H148-R154 HydrophobicContact CB-CG 3.8Å; H148-R154 WeakPolarHBondContact CD2-CG 3.41Å; H148-R154 VanDerWaalsContact CG-CG 3.41Å; H148-R154 PolarHBondContact NE2-NE 3.44Å; H148-R154 VanDerWaalsContact NE2-NE 3.18Å; S151-R154 CarbonylContact O-C 3.35Å; S151-R154 WeakPolarHBondContact O-CA 3.35Å; S151-R154 WeakPolarHBondContact O-CB 3.05Å; S151-R154 PolarHBondContact O-N 3.47Å; S151-R154 WeakPolarHBondContact OG-CB 3.21Å; F152-R154 PolarHBondContact O-N 2.86Å; R154-Q156 VanDerWaalsContact C-N 3.29Å; R154-Q157 WeakPolarHBondContact O-CB 3.13Å; R154-Q157 PolarHBondContact O-N 2.6Å
155I93.6Very high90.9Very high0 Ų077.3 Ų77.30%041%0.405CS..Hα-helixtrans-61.6-39.9168.8-66.1173.5000110.5F141 A144 F145 G149 S151 F152 Q157 M158 L159 L167F141-I155 HydrophobicContact CD2-CG2 3.86Å; F141-I155 HydrophobicContact CE2-CD1 4.14Å; F141-I155 HydrophobicContact CE2-CG2 4.29Å; A144-I155 HydrophobicContact CB-CB 4.33Å; A144-I155 HydrophobicContact CB-CG1 4.04Å; A144-I155 HydrophobicContact CB-CG2 4.07Å; F145-I155 HydrophobicContact CB-CD1 4.04Å; F145-I155 HydrophobicContact CD2-CD1 3.92Å; F145-I155 HydrophobicContact CG-CD1 4.47Å; G149-I155 WeakPolarHBondContact O-CD1 3.41Å; S151-I155 PolarHBondContact O-N 2.84Å; F152-I155 HydrophobicContact CD1-CD1 4.35Å; F152-I155 PolarHBondContact O-N 3.07Å; I155-Q157 PolarHBondContact O-N 3.47Å; I155-M158 WeakPolarHBondContact O-CA 3.42Å; I155-M158 WeakPolarHBondContact O-CB 3.16Å; I155-M158 PolarHBondContact O-N 3.27Å; I155-L159 HydrophobicContact CG2-CD1 4.34Å; I155-L159 PolarHBondContact O-N 3.32Å; I155-L159 VanDerWaalsContact O-N 3.16Å; I155-L167 HydrophobicContact CB-CD1 4.31Å; I155-L167 HydrophobicContact CG2-CD1 4.05Å; I155-L167 HydrophobicContact CG2-CD2 4.13Å
156Q94.7Very high90.8Very high57 Ų5776.7 Ų76.727%0.26641%0.406SS..THydrogen-bonded Turntrans-61-24.8176.9-164.1178.912.700113.2F152 R154 M158 L159 P160 L167F152-Q156 WeakPolarHBondContact O-CB 3.43Å; F152-Q156 PolarHBondContact O-N 3.31Å; R154-Q156 VanDerWaalsContact C-N 3.29Å; Q156-M158 PolarHBondContact O-N 3.12Å; Q156-L159 CarbonylContact O-C 3.5Å; Q156-L159 PolarHBondContact O-N 3.16Å; Q156-L159 VanDerWaalsContact O-N 3.17Å; Q156-P160 WeakPolarHBondContact O-CA 3.45Å; Q156-P160 VanDerWaalsContact O-N 3.11Å; Q156-L167 HydrophobicContact CB-CD1 3.8Å; Q156-L167 HydrophobicContact CG-CD1 4.37Å
157Q93.3Very high91Very high130 Ų13073 Ų7361%0.60738%0.38SS*.THydrogen-bonded Turntrans-67.8-21.3173.4-64.7174.7-3.700112.5R154 I155R154-Q157 WeakPolarHBondContact O-CB 3.13Å; R154-Q157 PolarHBondContact O-N 2.6Å; I155-Q157 PolarHBondContact O-N 3.47Å
158M87.8Confident91.3Very high102 Ų10268.2 Ų68.250%0.50236%0.363SS..THydrogen-bonded Turntrans-96.9-12.5172.3-59.8-60.6-60.500113.1A144 I155 Q156A144-M158 HydrophobicContact CB-CB 4.11Å; A144-M158 HydrophobicContact CB-CG 4.06Å; I155-M158 WeakPolarHBondContact O-CA 3.42Å; I155-M158 WeakPolarHBondContact O-CB 3.16Å; I155-M158 PolarHBondContact O-N 3.27Å; Q156-M158 PolarHBondContact O-N 3.12Å
159L90.3Very high91.3Very high7 Ų773.1 Ų73.14%0.03738%0.384CS..  trans-139.666.5-177.4-74.3175.1000109.9W133 L140 F141 I155 Q156 D161 K162 L167W133-L159 HydrophobicContact CH2-CD1 4.12Å; W133-L159 HydrophobicContact CZ3-CD1 4.04Å; L140-L159 HydrophobicContact CB-CD1 4.39Å; L140-L159 HydrophobicContact CB-CD2 3.74Å; L140-L159 HydrophobicContact CB-CG 4.13Å; L140-L159 HydrophobicContact CD1-CD2 3.89Å; L140-L159 HydrophobicContact CG-CD2 4.44Å; F141-L159 HydrophobicContact CB-CD1 3.78Å; I155-L159 HydrophobicContact CG2-CD1 4.34Å; I155-L159 PolarHBondContact O-N 3.32Å; I155-L159 VanDerWaalsContact O-N 3.16Å; Q156-L159 CarbonylContact O-C 3.5Å; Q156-L159 PolarHBondContact O-N 3.16Å; Q156-L159 VanDerWaalsContact O-N 3.17Å; L159-D161 VanDerWaalsContact C-N 3.26Å; L159-D161 PolarHBondContact O-N 2.69Å; L159-K162 HydrophobicContact CB-CB 4.18Å; L159-K162 HydrophobicContact CB-CG 4.3Å; L159-K162 PolarHBondContact O-N 3.26Å; L159-K162 VanDerWaalsContact O-N 3.1Å; L159-L167 HydrophobicContact CB-CD2 4.32Å; L159-L167 HydrophobicContact CD1-CD2 4.01Å
160P86.8Confident91.4Very high89 Ų8973.5 Ų73.558%0.57838%0.377SS*.THydrogen-bonded Turntrans-61.4-35.6-172.724.5-34.3000112.5Q156 K162Q156-P160 WeakPolarHBondContact O-CA 3.45Å; Q156-P160 VanDerWaalsContact O-N 3.11Å; P160-K162 PolarHBondContact O-N 2.92Å
161D84.6Confident91.4Very high145 Ų14567.1 Ų67.178%0.77535%0.349SS*.THydrogen-bonded Turntrans-75-6.2-179-50.7-50.7000113.5L159L159-D161 VanDerWaalsContact C-N 3.26Å; L159-D161 PolarHBondContact O-N 2.69Å
162K88.4Confident91.2Very high36 Ų3671.4 Ų71.416%0.15736%0.357CS..SBendtrans-107108177.6-59.4-55.6-173.1-65.30110W133 D137 L159 P160 L167W133-K162 HydrophobicContact CH2-CG 4.41Å; W133-K162 HydrophobicContact CZ2-CB 4.39Å; W133-K162 HydrophobicContact CZ2-CG 4.32Å; D137-K162 VanDerWaalsContact CG-CE 3.45Å; D137-K162 WeakPolarHBondContact OD1-CE 3.43Å; D137-K162 IonicContact OD1-NZ 3.77Å; D137-K162 PolarHBondContact OD1-NZ 3.5Å; D137-K162 WeakPolarHBondContact OD2-CE 3.35Å; D137-K162 IonicContact OD2-NZ 3.96Å; D137-K162 PolarHBondContact OD2-NZ 2.9Å; L159-K162 HydrophobicContact CB-CB 4.18Å; L159-K162 HydrophobicContact CB-CG 4.3Å; L159-K162 PolarHBondContact O-N 3.26Å; L159-K162 VanDerWaalsContact O-N 3.1Å; P160-K162 PolarHBondContact O-N 2.92Å; K162-L167 HydrophobicContact CB-CD2 3.61Å; K162-L167 HydrophobicContact CB-CG 4.31Å
163S92.4Very high90.5Very high67 Ų6773.1 Ų73.147%0.46937%0.373SS..  trans-58.1150.6176.969.10000111.9S165 S166 L167S163-S165 PolarHBondContact O-N 3.1Å; S163-S165 VanDerWaalsContact O-N 3.13Å; S163-S166 WeakPolarHBondContact O-CA 3.43Å; S163-S166 WeakPolarHBondContact O-CB 3.46Å; S163-S166 PolarHBondContact O-N 3.28Å; S163-S166 PolarHBondContact OG-N 3.28Å; S163-L167 PolarHBondContact O-N 3.44Å
164I92.2Very high90Very high57 Ų5768.3 Ų68.329%0.29235%0.349SS..Hα-helixtrans-50.9-41.5179.1-58.8170.7000111.2F152 H153 S166 L167 V168F152-I164 HydrophobicContact CB-CG2 4.12Å; H153-I164 VanDerWaalsContact CD2-CD1 3.46Å; H153-I164 WeakPolarHBondContact CD2-CD1 3.2Å; H153-I164 WeakPolarHBondContact NE2-CD1 3.34Å; I164-S166 VanDerWaalsContact C-N 3.33Å; I164-S166 PolarHBondContact O-N 2.87Å; I164-L167 PolarHBondContact O-N 3.06Å; I164-V168 HydrophobicContact CG2-CG2 4.28Å; I164-V168 WeakPolarHBondContact O-CB 3.22Å; I164-V168 VanDerWaalsContact O-CG2 3.28Å; I164-V168 WeakPolarHBondContact O-CG2 3.49Å; I164-V168 PolarHBondContact O-N 3.18Å
165S90.3Very high89.4Confident94 Ų9467.6 Ų67.666%0.65735%0.349SS*.Hα-helixtrans-60.1-38.9175.6-51.30000112.9S163 K169S163-S165 PolarHBondContact O-N 3.1Å; S163-S165 VanDerWaalsContact O-N 3.13Å; S165-K169 VanDerWaalsContact O-CB 3.24Å; S165-K169 WeakPolarHBondContact O-CB 3.41Å; S165-K169 PolarHBondContact O-N 3.13Å
166S91.1Very high88.2Confident30 Ų3076.1 Ų76.121%0.2139%0.386CS..Hα-helixtrans-69.6-44.1174.2-166.20000111.6W133 S163 I164 V168 K169 Y170W133-S166 PolarHBondContact NE1-OG 2.61Å; S163-S166 WeakPolarHBondContact O-CA 3.43Å; S163-S166 WeakPolarHBondContact O-CB 3.46Å; S163-S166 PolarHBondContact O-N 3.28Å; S163-S166 PolarHBondContact OG-N 3.28Å; I164-S166 VanDerWaalsContact C-N 3.33Å; I164-S166 PolarHBondContact O-N 2.87Å; S166-V168 VanDerWaalsContact C-N 3.31Å; S166-V168 PolarHBondContact O-N 2.97Å; S166-K169 PolarHBondContact O-N 2.75Å; S166-Y170 WeakPolarHBondContact O-CB 3.43Å; S166-Y170 PolarHBondContact O-N 2.78Å
167L93.1Very high86.5Confident0 Ų078.5 Ų78.50%041%0.405CS..Hα-helixtrans-58-41.9175-57.4179.6000112W133 F141 F152 I155 Q156 L159 K162 S163 I164 Y171W133-L167 HydrophobicContact CH2-CD2 3.61Å; W133-L167 HydrophobicContact CZ2-CD2 3.98Å; F141-L167 HydrophobicContact CD2-CD2 4.29Å; F152-L167 HydrophobicContact CD1-CB 3.83Å; F152-L167 HydrophobicContact CE1-CB 4.47Å; F152-L167 WeakPolarHBondContact O-CD1 3.46Å; I155-L167 HydrophobicContact CB-CD1 4.31Å; I155-L167 HydrophobicContact CG2-CD1 4.05Å; I155-L167 HydrophobicContact CG2-CD2 4.13Å; Q156-L167 HydrophobicContact CB-CD1 3.8Å; Q156-L167 HydrophobicContact CG-CD1 4.37Å; L159-L167 HydrophobicContact CB-CD2 4.32Å; L159-L167 HydrophobicContact CD1-CD2 4.01Å; K162-L167 HydrophobicContact CB-CD2 3.61Å; K162-L167 HydrophobicContact CB-CG 4.31Å; S163-L167 PolarHBondContact O-N 3.44Å; I164-L167 PolarHBondContact O-N 3.06Å; L167-Y171 WeakPolarHBondContact O-CB 3.15Å; L167-Y171 PolarHBondContact O-N 3.41Å
168V93.9Very high85Confident45 Ų4577 Ų7727%0.27339%0.394SS..Hα-helixtrans-71.3-42.7178.1172.20000111.5F152 I164 S166 Y170 Y171 Y172F152-V168 HydrophobicContact CD1-CG2 3.97Å; F152-V168 HydrophobicContact CD2-CG2 3.75Å; F152-V168 HydrophobicContact CE1-CG2 4.05Å; F152-V168 HydrophobicContact CE2-CG2 3.84Å; F152-V168 HydrophobicContact CG-CG2 3.82Å; F152-V168 HydrophobicContact CZ-CG2 3.99Å; I164-V168 HydrophobicContact CG2-CG2 4.28Å; I164-V168 WeakPolarHBondContact O-CB 3.22Å; I164-V168 VanDerWaalsContact O-CG2 3.28Å; I164-V168 WeakPolarHBondContact O-CG2 3.49Å; I164-V168 PolarHBondContact O-N 3.18Å; S166-V168 VanDerWaalsContact C-N 3.31Å; S166-V168 PolarHBondContact O-N 2.97Å; V168-Y170 VanDerWaalsContact C-N 3.33Å; V168-Y170 PolarHBondContact O-N 3.11Å; V168-Y171 PolarHBondContact O-N 2.87Å; V168-Y172 HydrophobicContact CG1-CD2 3.99Å; V168-Y172 HydrophobicContact CG1-CE2 3.83Å; V168-Y172 VanDerWaalsContact O-CD2 3.27Å; V168-Y172 WeakPolarHBondContact O-CD2 3.27Å; V168-Y172 PolarHBondContact O-N 3.19Å
169K89.3Confident83.3Confident163 Ų16376.3 Ų76.371%0.70940%0.399SS*.Hα-helixtrans-59.4-44.3174.7-174.1-178.7179.7-172.50111S165 S166 Y172 S173S165-K169 VanDerWaalsContact O-CB 3.24Å; S165-K169 WeakPolarHBondContact O-CB 3.41Å; S165-K169 PolarHBondContact O-N 3.13Å; S166-K169 PolarHBondContact O-N 2.75Å; K169-Y172 PolarHBondContact O-N 3.21Å; K169-S173 PolarHBondContact O-N 3.47Å
170Y90.1Very high81.2Confident35 Ų3587.2 Ų87.214%0.13744%0.44CS..Hα-helixtrans-67.4-43.1176.5-175.4-97000112.6W133 K138 F141 S166 V168 Y172 S173 W174W133-Y170 HydrophobicContact CD2-CD1 4.46Å; W133-Y170 AromaticContact CD2-CD2 3.66Å; W133-Y170 HydrophobicContact CD2-CD2 3.66Å; W133-Y170 HydrophobicContact CD2-CE2 4.24Å; W133-Y170 AromaticContact CD2-CG 3.81Å; W133-Y170 HydrophobicContact CD2-CG 3.81Å; W133-Y170 AromaticContact CE2-CD2 3.93Å; W133-Y170 AromaticContact CE2-CG 3.73Å; W133-Y170 HydrophobicContact CE3-CD1 4.13Å; W133-Y170 AromaticContact CE3-CD2 3.97Å; W133-Y170 HydrophobicContact CE3-CD2 3.97Å; W133-Y170 HydrophobicContact CE3-CE1 4.38Å; W133-Y170 HydrophobicContact CE3-CE2 4.23Å; W133-Y170 AromaticContact CE3-CG 3.94Å; W133-Y170 HydrophobicContact CE3-CG 3.94Å; W133-Y170 AromaticContact CG-CD2 3.93Å; W133-Y170 HydrophobicContact CG-CD2 3.93Å; W133-Y170 HydrophobicContact CG-CE2 4.42Å; W133-Y170 AromaticContact CH2-CD1 3.93Å; W133-Y170 HydrophobicContact CH2-CD1 3.93Å; W133-Y170 AromaticContact CH2-CG 3.92Å; W133-Y170 HydrophobicContact CH2-CG 3.92Å; W133-Y170 VanDerWaalsContact CZ2-CB 3.42Å; W133-Y170 HydrophobicContact CZ2-CD1 4.27Å; W133-Y170 HydrophobicContact CZ2-CD2 4.45Å; W133-Y170 AromaticContact CZ2-CG 3.79Å; W133-Y170 HydrophobicContact CZ2-CG 3.79Å; W133-Y170 AromaticContact CZ3-CD1 3.87Å; W133-Y170 HydrophobicContact CZ3-CD1 3.87Å; W133-Y170 HydrophobicContact CZ3-CD2 4.49Å; W133-Y170 HydrophobicContact CZ3-CE1 4.29Å; W133-Y170 HydrophobicContact CZ3-CG 4.01Å; K138-Y170 HydrophobicContact CG-CE2 3.98Å; K138-Y170 WeakPolarHBondContact CG-OH 3.32Å; F141-Y170 HydrophobicContact CB-CE1 4.44Å; F141-Y170 AromaticContact CD1-CD1 3.66Å; F141-Y170 HydrophobicContact CD1-CD1 3.66Å; F141-Y170 AromaticContact CD1-CE1 3.53Å; F141-Y170 HydrophobicContact CD1-CE1 3.53Å; F141-Y170 HydrophobicContact CD2-CD1 4.15Å; F141-Y170 AromaticContact CE1-CD1 3.86Å; F141-Y170 HydrophobicContact CE1-CD1 3.86Å; F141-Y170 AromaticContact CE1-CE1 3.97Å; F141-Y170 HydrophobicContact CE1-CE1 3.97Å; F141-Y170 HydrophobicContact CE2-CD1 4.31Å; F141-Y170 AromaticContact CG-CD1 3.84Å; F141-Y170 HydrophobicContact CG-CD1 3.84Å; F141-Y170 AromaticContact CG-CE1 3.99Å; F141-Y170 HydrophobicContact CG-CE1 3.99Å; F141-Y170 HydrophobicContact CZ-CD1 4.19Å; S166-Y170 WeakPolarHBondContact O-CB 3.43Å; S166-Y170 PolarHBondContact O-N 2.78Å; V168-Y170 VanDerWaalsContact C-N 3.33Å; V168-Y170 PolarHBondContact O-N 3.11Å; Y170-Y172 VanDerWaalsContact C-N 3.27Å; Y170-Y172 PolarHBondContact O-N 3.06Å; Y170-S173 PolarHBondContact O-N 3.34Å; Y170-S173 PolarHBondContact O-OG 2.65Å; Y170-W174 HydrophobicContact CD1-CB 4.21Å; Y170-W174 HydrophobicContact CE1-CB 3.74Å; Y170-W174 AromaticContact CE1-CD1 3.84Å; Y170-W174 AromaticContact CE1-CG 3.91Å; Y170-W174 HydrophobicContact CE1-CG 3.91Å; Y170-W174 AromaticContact CZ-CD1 3.91Å; Y170-W174 VanDerWaalsContact O-CB 3.26Å; Y170-W174 WeakPolarHBondContact O-CB 3.09Å; Y170-W174 PolarHBondContact O-N 2.65Å
171Y91.8Very high79.7Confident13 Ų1386.3 Ų86.35%0.05143%0.433CS..Hα-helixtrans-53.1-43.2174.6162.7-103.8000112.5F145 F152 L167 V168 K175F145-Y171 HydrophobicContact CD2-CD2 4.41Å; F145-Y171 AromaticContact CE2-CD2 3.68Å; F145-Y171 HydrophobicContact CE2-CD2 3.68Å; F145-Y171 AromaticContact CE2-CE2 3.68Å; F145-Y171 HydrophobicContact CE2-CE2 3.68Å; F145-Y171 HydrophobicContact CZ-CD2 4.16Å; F145-Y171 AromaticContact CZ-CE2 3.78Å; F145-Y171 HydrophobicContact CZ-CE2 3.78Å; F152-Y171 HydrophobicContact CE1-CG 4.15Å; F152-Y171 AromaticContact CZ-CD1 3.87Å; F152-Y171 HydrophobicContact CZ-CD1 3.87Å; F152-Y171 HydrophobicContact CZ-CD2 4.29Å; F152-Y171 AromaticContact CZ-CG 3.73Å; F152-Y171 HydrophobicContact CZ-CG 3.73Å; L167-Y171 WeakPolarHBondContact O-CB 3.15Å; L167-Y171 PolarHBondContact O-N 3.41Å; V168-Y171 PolarHBondContact O-N 2.87Å; Y171-K175 HydrophobicContact CE2-CB 4.45Å; Y171-K175 HydrophobicContact CE2-CD 4.25Å; Y171-K175 WeakPolarHBondContact O-CB 3.28Å; Y171-K175 PolarHBondContact O-N 3.34Å
172Y88.6Confident78.1Confident149 Ų14982.3 Ų82.358%0.58442%0.416SS*.Hα-helixtrans-72.9-31.5-179.1-78.8-66.7000113.7V168 K169 Y170 K176V168-Y172 HydrophobicContact CG1-CD2 3.99Å; V168-Y172 HydrophobicContact CG1-CE2 3.83Å; V168-Y172 VanDerWaalsContact O-CD2 3.27Å; V168-Y172 WeakPolarHBondContact O-CD2 3.27Å; V168-Y172 PolarHBondContact O-N 3.19Å; K169-Y172 PolarHBondContact O-N 3.21Å; Y170-Y172 VanDerWaalsContact C-N 3.27Å; Y170-Y172 PolarHBondContact O-N 3.06Å; Y172-K176 WeakPolarHBondContact O-CB 3.34Å; Y172-K176 PolarHBondContact O-N 3.43Å
173S80.6Confident76.4Confident66 Ų6687 Ų8746%0.46244%0.442SS..Hα-helixtrans-74.4-46.9172.659.50000112K169 Y170 K176 T177K169-S173 PolarHBondContact O-N 3.47Å; Y170-S173 PolarHBondContact O-N 3.34Å; Y170-S173 PolarHBondContact O-OG 2.65Å; S173-K176 PolarHBondContact O-N 2.87Å; S173-T177 PolarHBondContact O-N 2.68Å
174W84.8Confident74.8Confident31 Ų3190.6 Ų90.612%0.11745%0.453CS..Hα-helixtrans-62.1-41.5177175.295.5000112.6F141 E142 F145 Y170 K176 T177 R178F141-W174 HydrophobicContact CE1-CD2 4.21Å; F141-W174 HydrophobicContact CE1-CE3 4.21Å; F141-W174 HydrophobicContact CE1-CZ3 4.49Å; E142-W174 HydrophobicContact CB-CZ2 4.47Å; E142-W174 HydrophobicContact CG-CZ2 4.12Å; E142-W174 PolarHBondContact OE2-NE1 3.38Å; F145-W174 AromaticContact CD1-CH2 3.82Å; F145-W174 HydrophobicContact CD1-CH2 3.82Å; F145-W174 HydrophobicContact CD1-CZ3 4.1Å; F145-W174 HydrophobicContact CE1-CH2 4.11Å; F145-W174 HydrophobicContact CE1-CZ3 4.06Å; F145-W174 HydrophobicContact CG-CH2 4.43Å; F145-W174 HydrophobicContact CZ-CZ3 4.48Å; Y170-W174 HydrophobicContact CD1-CB 4.21Å; Y170-W174 HydrophobicContact CE1-CB 3.74Å; Y170-W174 AromaticContact CE1-CD1 3.84Å; Y170-W174 AromaticContact CE1-CG 3.91Å; Y170-W174 HydrophobicContact CE1-CG 3.91Å; Y170-W174 AromaticContact CZ-CD1 3.91Å; Y170-W174 VanDerWaalsContact O-CB 3.26Å; Y170-W174 WeakPolarHBondContact O-CB 3.09Å; Y170-W174 PolarHBondContact O-N 2.65Å; W174-K176 VanDerWaalsContact C-N 3.32Å; W174-K176 PolarHBondContact O-N 3.11Å; W174-T177 PolarHBondContact O-N 3.22Å; W174-T177 PolarHBondContact O-OG1 3.08Å; W174-T177 VanDerWaalsContact O-OG1 3.04Å; W174-R178 VanDerWaalsContact CZ2-CD 3.45Å; W174-R178 VanDerWaalsContact O-CB 3.31Å; W174-R178 WeakPolarHBondContact O-CB 3.37Å; W174-R178 PolarHBondContact O-N 3.09Å
175K80.3Confident73.5Confident104 Ų10491.2 Ų91.245%0.45246%0.457SS..Hα-helixtrans-63.2-38.4175.8-178.3-175.4172.2-165.90111.8Y171 T177 R178 S179Y171-K175 HydrophobicContact CE2-CB 4.45Å; Y171-K175 HydrophobicContact CE2-CD 4.25Å; Y171-K175 WeakPolarHBondContact O-CB 3.28Å; Y171-K175 PolarHBondContact O-N 3.34Å; K175-T177 VanDerWaalsContact C-N 3.28Å; K175-T177 PolarHBondContact O-N 3.21Å; K175-R178 PolarHBondContact O-N 2.89Å; K175-S179 PolarHBondContact O-N 2.86Å; K175-S179 VanDerWaalsContact O-N 3.09Å
176K68.3Low72.1Confident178 Ų17896 Ų9677%0.77446%0.461SS*.Hα-helixtrans-65.8-28.3-175.9-169177.5-177.1-177.80112.8Y172 S173 W174Y172-K176 WeakPolarHBondContact O-CB 3.34Å; Y172-K176 PolarHBondContact O-N 3.43Å; S173-K176 PolarHBondContact O-N 2.87Å; W174-K176 VanDerWaalsContact C-N 3.32Å; W174-K176 PolarHBondContact O-N 3.11Å
177T58.7Low70.8Confident108 Ų108100.7 Ų100.766%0.66348%0.479SS*.Hα-helixtrans-87.1-36.3171.3510000112.4S173 W174 K175 S179S173-T177 PolarHBondContact O-N 2.68Å; W174-T177 PolarHBondContact O-N 3.22Å; W174-T177 PolarHBondContact O-OG1 3.08Å; W174-T177 VanDerWaalsContact O-OG1 3.04Å; K175-T177 VanDerWaalsContact C-N 3.28Å; K175-T177 PolarHBondContact O-N 3.21Å; T177-S179 PolarHBondContact O-N 3.29Å
178R61.3Low69.4Low98 Ų98103.3 Ų103.337%0.3750%0.501SS..Hα-helixtrans-76.9-18.3-174.2-156.4177.2-167109.2-4.2115.5E142 W174 K175 R180 T181E142-R178 IonicContact OE1-CZ 3.64Å; E142-R178 VanDerWaalsContact OE1-CZ 3.28Å; E142-R178 IonicContact OE1-NH1 2.73Å; E142-R178 PolarHBondContact OE1-NH1 3.25Å; E142-R178 VanDerWaalsContact OE1-NH1 3.11Å; E142-R178 IonicContact OE1-NH2 3.73Å; E142-R178 PolarHBondContact OE1-NH2 3.05Å; E142-R178 IonicContact OE2-CZ 3.12Å; E142-R178 IonicContact OE2-NH1 2.71Å; E142-R178 PolarHBondContact OE2-NH1 2.94Å; E142-R178 IonicContact OE2-NH2 3.39Å; W174-R178 VanDerWaalsContact CZ2-CD 3.45Å; W174-R178 VanDerWaalsContact O-CB 3.31Å; W174-R178 WeakPolarHBondContact O-CB 3.37Å; W174-R178 PolarHBondContact O-N 3.09Å; K175-R178 PolarHBondContact O-N 2.89Å; R178-R180 PolarHBondContact O-N 3.37Å; R178-T181 PolarHBondContact O-N 2.93Å
179S53.4Low68.3Low88 Ų88108 Ų10862%0.61551%0.514SS*.THydrogen-bonded Turntrans-70.87.5179.966.20000115.3K175 T177K175-S179 PolarHBondContact O-N 2.86Å; K175-S179 VanDerWaalsContact O-N 3.09Å; T177-S179 PolarHBondContact O-N 3.29Å
180R46.6Very low67Low235 Ų235108.3 Ų108.389%0.88752%0.516SS*.THydrogen-bonded Turntrans-953.8170.7-79.6-177.8166168.3-4.8114.3R178 S182R178-R180 PolarHBondContact O-N 3.37Å; R180-S182 PolarHBondContact O-N 3.13Å
181T53.3Low65.6Low71 Ų71112.7 Ų112.744%0.43654%0.541SS..  trans-56.1129.3173.4-168.60000110.5R178 D185 R189R178-T181 PolarHBondContact O-N 2.93Å; T181-D185 VanDerWaalsContact CA-OD2 3.25Å; T181-D185 WeakPolarHBondContact CA-OD2 3.16Å; T181-D185 WeakPolarHBondContact CB-OD2 3.41Å; T181-D185 WeakPolarHBondContact OG1-CB 3.34Å; T181-D185 VanDerWaalsContact OG1-CG 3.25Å; T181-D185 PolarHBondContact OG1-OD2 3.17Å; T181-R189 PolarHBondContact OG1-NH2 2.86Å
182S51.2Low64.3Low61 Ų61114.7 Ų114.743%0.42756%0.56SS.*  trans-75.1161.7-171179.50000111.9R180 M184 D185 R186R180-S182 PolarHBondContact O-N 3.13Å; S182-M184 PolarHBondContact O-N 2.83Å; S182-M184 PolarHBondContact OG-N 3.08Å; S182-D185 PolarHBondContact N-OD2 3.41Å; S182-D185 WeakPolarHBondContact O-CB 3.42Å; S182-D185 PolarHBondContact O-N 3.3Å; S182-R186 PolarHBondContact O-N 3.03Å
183L52.8Low62.6Low134 Ų134113.7 Ų113.770%0.70257%0.565SS**Hα-helixtrans-57.2-29.1167.2-68.4176.6000111.7R186 Q187L183-R186 WeakPolarHBondContact O-CB 3.44Å; L183-R186 PolarHBondContact O-N 3.41Å; L183-R186 VanDerWaalsContact O-N 3.17Å; L183-Q187 PolarHBondContact O-N 3.3Å; L183-Q187 VanDerWaalsContact O-N 3.13Å
184M59.2Low61.4Low142 Ų142120.4 Ų120.470%0.758%0.58SS**Hα-helixtrans-61.5-41.6172.1-71.1173.9158.300112.6S182 R186 Q187 A188S182-M184 PolarHBondContact O-N 2.83Å; S182-M184 PolarHBondContact OG-N 3.08Å; M184-R186 PolarHBondContact O-N 3.47Å; M184-Q187 PolarHBondContact O-N 3.21Å; M184-Q187 VanDerWaalsContact O-N 3.11Å; M184-A188 WeakPolarHBondContact O-CB 3.25Å; M184-A188 PolarHBondContact O-N 3.39Å
185D65.6Low59.8Low71 Ų71123.3 Ų123.338%0.3861%0.605SS.*Hα-helixtrans-64.3-23.1176.4-62.4-39.2000112.7T181 S182 R189T181-D185 VanDerWaalsContact CA-OD2 3.25Å; T181-D185 WeakPolarHBondContact CA-OD2 3.16Å; T181-D185 WeakPolarHBondContact CB-OD2 3.41Å; T181-D185 WeakPolarHBondContact OG1-CB 3.34Å; T181-D185 VanDerWaalsContact OG1-CG 3.25Å; T181-D185 PolarHBondContact OG1-OD2 3.17Å; S182-D185 PolarHBondContact N-OD2 3.41Å; S182-D185 WeakPolarHBondContact O-CB 3.42Å; S182-D185 PolarHBondContact O-N 3.3Å; D185-R189 PolarHBondContact O-N 2.8Å; D185-R189 PolarHBondContact O-NE 3.01Å
186R60.6Low58Low193 Ų193125.4 Ų125.473%0.72862%0.621SS**Hα-helixtrans-81.9-33.5177-162.6178.6-176.9-169.80.1111.4S182 L183 M184 K190S182-R186 PolarHBondContact O-N 3.03Å; L183-R186 WeakPolarHBondContact O-CB 3.44Å; L183-R186 PolarHBondContact O-N 3.41Å; L183-R186 VanDerWaalsContact O-N 3.17Å; M184-R186 PolarHBondContact O-N 3.47Å; R186-K190 PolarHBondContact O-N 3.04Å
187Q63.9Low56.9Low129 Ų129125 Ų12560%0.60362%0.622SS**Hα-helixtrans-73-45171.5-70.4173.5-57.700111.5L183 M184 R189 K190 L191L183-Q187 PolarHBondContact O-N 3.3Å; L183-Q187 VanDerWaalsContact O-N 3.13Å; M184-Q187 PolarHBondContact O-N 3.21Å; M184-Q187 VanDerWaalsContact O-N 3.11Å; Q187-R189 VanDerWaalsContact C-N 3.33Å; Q187-R189 PolarHBondContact O-N 2.62Å; Q187-K190 WeakPolarHBondContact O-CA 3.1Å; Q187-K190 WeakPolarHBondContact O-CB 3.26Å; Q187-K190 PolarHBondContact O-N 3.46Å; Q187-L191 PolarHBondContact O-N 2.66Å
188A64.3Low55.8Low56 Ų56127.1 Ų127.146%0.46363%0.629SS.*Hα-helixtrans-55.4-45.7177.400000112.2M184 K190 L191 A192M184-A188 WeakPolarHBondContact O-CB 3.25Å; M184-A188 PolarHBondContact O-N 3.39Å; A188-K190 PolarHBondContact O-N 3.41Å; A188-L191 PolarHBondContact O-N 3.03Å; A188-A192 PolarHBondContact O-N 2.8Å
189R69.6Low54.6Low143 Ų143129.9 Ų129.954%0.5465%0.651SS.*Hα-helixtrans-67.5-30.3174.9-80.5179.2-82.8-169.2-9.1113.9T181 D185 Q187 N193T181-R189 PolarHBondContact OG1-NH2 2.86Å; D185-R189 PolarHBondContact O-N 2.8Å; D185-R189 PolarHBondContact O-NE 3.01Å; Q187-R189 VanDerWaalsContact C-N 3.33Å; Q187-R189 PolarHBondContact O-N 2.62Å; R189-N193 WeakPolarHBondContact O-CB 3.31Å; R189-N193 PolarHBondContact O-N 3.46Å
190K62.2Low53.8Low170 Ų170131.2 Ų131.274%0.73966%0.66SS**Hα-helixtrans-69-33.4173.5-168.8-176.6178.2-170.80112R186 Q187 A188R186-K190 PolarHBondContact O-N 3.04Å; Q187-K190 WeakPolarHBondContact O-CA 3.1Å; Q187-K190 WeakPolarHBondContact O-CB 3.26Å; Q187-K190 PolarHBondContact O-N 3.46Å; A188-K190 PolarHBondContact O-N 3.41Å
191L61Low53Low127 Ų127129.3 Ų129.367%0.66566%0.662SS**Hα-helixtrans-73.9-45.8174.5-67.2170.2000111.4Q187 A188 N193 R194 S195Q187-L191 PolarHBondContact O-N 2.66Å; A188-L191 PolarHBondContact O-N 3.03Å; L191-N193 VanDerWaalsContact C-N 3.32Å; L191-N193 PolarHBondContact O-N 2.86Å; L191-R194 WeakPolarHBondContact O-CA 3.15Å; L191-R194 WeakPolarHBondContact O-CB 3.41Å; L191-R194 PolarHBondContact O-N 2.99Å; L191-S195 PolarHBondContact O-N 3.48Å
192A64.2Low51.9Low55 Ų55135.2 Ų135.246%0.45568%0.684SS.*Hα-helixtrans-57.9-41.917600000112.6A188 R194 S195A188-A192 PolarHBondContact O-N 2.8Å; A192-R194 PolarHBondContact O-N 3.25Å; A192-R194 VanDerWaalsContact O-N 3.17Å; A192-S195 PolarHBondContact O-N 3.19Å; A192-S195 VanDerWaalsContact O-N 3.16Å
193N52.3Low51Low128 Ų128141 Ų14168%0.68471%0.705SS**Hα-helixtrans-71.9-3.7176.3-148.3113.8000113.7R189 L191R189-N193 WeakPolarHBondContact O-CB 3.31Å; R189-N193 PolarHBondContact O-N 3.46Å; L191-N193 VanDerWaalsContact C-N 3.32Å; L191-N193 PolarHBondContact O-N 2.86Å
194R56.9Low50Low207 Ų207141.4 Ų141.478%0.78171%0.705SS**Hα-helixtrans-98.8-23.1171.5-140.8175.1-178.3-109.5-2.5112.3L191 A192 N196L191-R194 WeakPolarHBondContact O-CA 3.15Å; L191-R194 WeakPolarHBondContact O-CB 3.41Å; L191-R194 PolarHBondContact O-N 2.99Å; A192-R194 PolarHBondContact O-N 3.25Å; A192-R194 VanDerWaalsContact O-N 3.17Å; R194-N196 VanDerWaalsContact C-N 3.35Å
195S49.4Very low48.8Very low92 Ų92142.1 Ų142.164%0.64371%0.706SS**Hα-helixtrans-80.3-10.3178.4-166.70000114.5L191 A192L191-S195 PolarHBondContact O-N 3.48Å; A192-S195 PolarHBondContact O-N 3.19Å; A192-S195 VanDerWaalsContact O-N 3.16Å
196N43.6Very low47.1Very low148 Ų148147.5 Ų147.579%0.79173%0.729SS**THydrogen-bonded Turntrans-104.622.1179.6-73.1-7.3000112.5R194R194-N196 VanDerWaalsContact C-N 3.35Å
197Q44.8Very low45.6Very low170 Ų170141.7 Ų141.779%0.79472%0.723SS**SBendtrans-140.249.4178.9-163175.20.800110.3
198D34.8Very low44Very low152 Ų152143.4 Ų143.481%0.81374%0.736SS**SBendtrans-151.132.5-174.6-154.528.1000110.9
199D37.2Very low42.2Very low155 Ų155147.3 Ų147.383%0.82974%0.744SS**SBendtrans-152.152.6-173.5-160.17.6000111.8
200S36.3Very low40.5Very low116 Ų116148.7 Ų148.781%0.81176%0.761SS**SBendtrans-167.8142.1166.8-77.90000112.2
201E29.4Very low39.1Very low196 Ų196147.6 Ų147.692%0.91676%0.758SS**  trans72.691.3166.1-64179.4176.900118.1
202E31.4Very low37.7Very low194 Ų194145.9 Ų145.991%0.90776%0.762SS**  trans-74.8129.3152.1-54.8171.1115.600109.9
203E31.1Very low36.1Very low184 Ų184149 Ų14986%0.8678%0.775SS**  -174.2139.5123.6-119.9-172.9147.200114.4
204M33Very low35.1Very low142 Ų142150.1 Ų150.170%0.778%0.782SS**  trans70119.2146-144.3155.4-169.500123.8
205E33.1Very low34Very low156 Ų156145 Ų14573%0.72978%0.778SS**  trans67.384.1145.7-71.8176.5-177.200123
206E29.6Very low33.1Very low184 Ų184148.4 Ų148.486%0.8679%0.789SS**  61.5130.7109.2-168.2160.8-164.500123.4
207A30.2Very low32.4Very low72 Ų72150.5 Ų150.560%0.59579%0.787SS**  trans61.7115.7158.900000118.9
208N29.1Very low32Very low164 Ų164147.2 Ų147.288%0.87778%0.775SS**  cis-149.4149.649.3-86.1-95.5000113.8
209H26.9Very low32.5Very low139 Ų139144 Ų14464%0.64476%0.762SS**  trans-112.9130.8179.8154.3-66.2000110.8E211H209-E211 WeakPolarHBondContact NE2-CG 3.37Å; H209-E211 IonicContact NE2-OE2 2.69Å
210I34.2Very low32Very low172 Ų172143.3 Ų143.388%0.88276%0.758SS**  trans-137.3106.3157.3-58.9-177.7000108.3
211E33Very low31.7Very low147 Ų147147.3 Ų147.369%0.68776%0.761SS**  trans-88.6147167.2-82.4-171.6156.400112.4H209H209-E211 WeakPolarHBondContact NE2-CG 3.37Å; H209-E211 IonicContact NE2-OE2 2.69Å
212A31.7Very low31.8Very low91 Ų91144.4 Ų144.475%0.75275%0.752SS**  trans-164.811614000000106.2
213T30.3Very low31.9Very low119 Ų119140 Ų14073%0.7375%0.749SS**  60.992.563.8-45.10000109.6
214D31.4Very low32Very low152 Ų152139.9 Ų139.981%0.81375%0.745SS**  79.5163.668.8-167.931.9000112.8
215S34.5Very low31.9Very low100 Ų100141.2 Ų141.270%0.69975%0.747SS**  trans98.388.9-17972.40000119.3
216D29.7Very low31.6Very low163 Ų163140 Ų14087%0.87274%0.742SS**  80.3171.3106.6-115.4-39.3000125.8
217Y29.3Very low31.4Very low193 Ų193137.2 Ų137.276%0.75773%0.732SS**  trans-95.5-179.6-167.2-152.1-145.6000111.4
218D35.8Very low31.2Very low101 Ų101143 Ų14354%0.5475%0.747SS.*  cis-142.6-84.312.4-177.93.7000114.5
219P45Very low31.2Very low83 Ų83139.2 Ų139.254%0.53974%0.739SS.*  -124.9169.2-125.229.6-11000118.5
220N27.8Very low31.1Very low142 Ų142140.7 Ų140.776%0.75975%0.746SS**  trans79.7145.3166.2-56.3-71.4000115.7
221K30.2Very low30.9Very low200 Ų200139.5 Ų139.587%0.8774%0.741SS**  cis-157.215038.1-174.2177.4-179.2177.90114.6
222D30.1Very low30.5Very low135 Ų135139 Ų13972%0.72275%0.747SS**  trans-62.1150.7178.2-53.5-113.9000116.8
223A33.8Very low30.5Very low101 Ų101141 Ų14184%0.83575%0.749SS**  trans-156.777.5138.900000114.6
224K32.8Very low30.9Very low182 Ų182141.1 Ų141.179%0.79175%0.752SS**  trans31.9128.8137-79179.6173.2171.10122.8
225K32.5Very low30.7Very low170 Ų170137.3 Ų137.374%0.73975%0.749SS**  70.8155.1127-72.4-169.1149.1-1510119.4
226E25.7Very low30.5Very low131 Ų131138.3 Ų138.361%0.61275%0.751SS**  cis-149.9-171-1.8-134.8-174.895.800113.4
227N25.9Very low30.9Very low124 Ų124140 Ų14066%0.66375%0.751SS**  trans-33.1163.6163.3-60.7-55000115.9
228Q26.5Very low31.3Very low194 Ų194136.8 Ų136.891%0.90775%0.754SS**  cis-156.2-152.933.3-151.9165.155.300112.6
229A27.5Very low31Very low85 Ų85136.9 Ų136.970%0.70277%0.769SS**  trans-121.2174.4-159.600000116.3
230E26Very low30.6Very low170 Ų170141.8 Ų141.879%0.79479%0.789SS**  trans74.1123.8157-75.5-163.4106.100123.6
231L28.7Very low30.8Very low147 Ų147138.8 Ų138.877%0.7779%0.792SS**  trans80.8159.2133.9-72.8171.9000123.3
232V25.9Very low31.3Very low137 Ų137141 Ų14183%0.8380%0.795SS**  trans90.3118.8166.6-165.40000119
233V30.7Very low31.6Very low131 Ų131145.7 Ų145.779%0.79480%0.802SS**  trans-134.3153.8171.6158.30000104.6
234P39.6Very low31.5Very low122 Ų122149.2 Ų149.279%0.79280%0.801SS**  cis-131.9-174.118.227.8-2.9000116
235G26.7Very low31.9Very low72 Ų72148.3 Ų148.374%0.74280%0.8SS**  trans-167.426.9-177.800000123.7
236T30.7Very low32.1Very low122 Ų122148.5 Ų148.575%0.74880%0.803SS**  trans51.794.6149.9-42.40000123.5
237K37.3Very low32.6Very low197 Ų197148 Ų14886%0.85781%0.809SS**  trans66.7-172.6139.4-48.8178.1-179.41760118.2
238P37.4Very low33.7Very low127 Ų127148.8 Ų148.883%0.82581%0.813SS**  -131.6159.7-96.140.4-22.4000116.5
239A29.6Very low34.4Very low103 Ų103147.5 Ų147.585%0.85181%0.807SS**  trans-137.9141.3169.600000112.3
240L37.8Very low35Very low186 Ų186151.9 Ų151.997%0.97481%0.812SS**  trans-92122.1-179.2-69.4167000111
241G32Very low35.9Very low78 Ų78154.1 Ų154.180%0.80481%0.813SS**  trans-126.999.717600000112.1
242R41Very low36.8Very low248 Ų248154.5 Ų154.594%0.93681%0.811SS**  trans-98.393.5-176.5-163.1-163.1-141.9-76.45111.8
243R35.4Very low37.9Very low233 Ų233156.5 Ų156.588%0.87981%0.811SS**  trans-153147.4162.8-71.3-166.9-175.21760.9109
244E31.8Very low38.5Very low174 Ų174158.1 Ų158.181%0.81381%0.81SS**  cis-157.4162.8-25.5-169.8152.5-145.300107.3Q246E244-Q246 PolarHBondContact O-N 3.36Å
245H40.3Very low39.1Very low164 Ų164161.8 Ų161.876%0.75981%0.808SS**  trans-77.2115-174.3-108.7-116.5000112.4
246Q37.2Very low40.2Very low174 Ų174163.2 Ų163.281%0.81381%0.806SS**  trans-149.4148163.9-144.7162.294.800112.1E244E244-Q246 PolarHBondContact O-N 3.36Å
247T36.3Very low41.6Very low119 Ų119168.1 Ų168.173%0.7381%0.811SS**  trans72.532.4173.871.40000119.9Q249T247-Q249 PolarHBondContact O-N 2.92Å
248L49Very low43.1Very low142 Ų142164 Ų16474%0.74381%0.806SS**THydrogen-bonded Turntrans-71.653.4163.3-78.8177.6000113.2
249Q40.8Very low45.1Very low167 Ų167168.6 Ų168.678%0.7881%0.807SS**THydrogen-bonded Turntrans-135-12.4-179.5-73.9-66.9-5.500114.6T247T247-Q249 PolarHBondContact O-N 2.92Å
250H41.6Very low47.9Very low177 Ų177166.5 Ų166.582%0.81979%0.785SS**SBendtrans-110.3-9.1-175.9-94.143.7000115.8H252H250-H252 PolarHBondContact O-N 3.19Å
251R43.2Very low50.5Low217 Ų217162.2 Ų162.282%0.81977%0.768SS**SBendtrans-90.59.2-173.5-150.4175.3177.1142.92.2115.5
252H49.6Very low53.3Low154 Ų154168.9 Ų168.971%0.71377%0.774SS**SBendtrans-82.4-40.3-177.3-160.4-10000113.5H250 Q254 R255H250-H252 PolarHBondContact O-N 3.19Å; H252-Q254 PolarHBondContact O-N 3.27Å; H252-Q254 VanDerWaalsContact O-N 3.11Å; H252-R255 PolarHBondContact O-N 3.17Å
253H47.3Very low55.7Low179 Ų179160 Ų16083%0.82976%0.76SS**THydrogen-bonded Turntrans-66.9-13.3-171.1-81.798.8000115.4S256H253-S256 PolarHBondContact O-OG 3.31Å
254Q44.5Very low58.5Low166 Ų166153.6 Ų153.678%0.77674%0.742SS**THydrogen-bonded Turntrans-100.33.3-176.2-146.517818.300114.6H252H252-Q254 PolarHBondContact O-N 3.27Å; H252-Q254 VanDerWaalsContact O-N 3.11Å
255R52Low61.5Low198 Ų198154.8 Ų154.875%0.74774%0.74SS**SBendtrans-81.7-22.3174.7-73.3-170.1176.1-166.3-1.1114H252 R257 C258H252-R255 PolarHBondContact O-N 3.17Å; R255-R257 PolarHBondContact O-N 3.11Å; R255-R257 VanDerWaalsContact O-N 3.14Å; R255-C258 PolarHBondContact O-N 3.41Å
256S50.2Low64Low103 Ų103152.1 Ų152.172%0.7273%0.731SS**THydrogen-bonded Turntrans-73.3-1.9-169.654.50000115.6H253H253-S256 PolarHBondContact O-OG 3.31Å
257R60Low66.7Low225 Ų225147 Ų14785%0.84971%0.711SS**THydrogen-bonded Turntrans-130.817.8178.1-64.4-167.3179.2-157.40.9114.5R255 R259R255-R257 PolarHBondContact O-N 3.11Å; R255-R257 VanDerWaalsContact O-N 3.14Å; R257-R259 PolarHBondContact O-N 3.39Å
258C68Low69.4Low109 Ų109148.5 Ų148.574%0.73671%0.71SS**  trans-71.775.3168.7-67.30000111R255R255-C258 PolarHBondContact O-N 3.41Å
259R80.1Confident71.7Confident224 Ų224149.3 Ų149.385%0.84571%0.71SS**PPolyproline II helixtrans-69.1152.2163.7-65.2-172.8-179.1-80.11.8109.3R257R257-R259 PolarHBondContact O-N 3.39Å
260P87.9Confident74.3Confident60 Ų60145.1 Ų145.139%0.3969%0.693SS.*PPolyproline II helixtrans-61.2157.4170.428.6-35.9000110.8M264 L266P260-M264 HydrophobicContact CB-CB 4.23Å; P260-M264 HydrophobicContact CB-CG 4.15Å; P260-M264 WeakPolarHBondContact CB-O 3.36Å; P260-M264 WeakPolarHBondContact CG-O 3.35Å; P260-L266 HydrophobicContact CB-CB 4.41Å; P260-L266 HydrophobicContact CB-CD1 4.27Å
261P92.8Very high76.9Confident95 Ų95140.1 Ų140.162%0.61768%0.675SS**PPolyproline II helixtrans-53.1153.4175.9-27.335.4000113.2G263 M264P261-G263 PolarHBondContact O-N 3.48Å; P261-M264 HydrophobicContact CB-CB 4.24Å; P261-M264 WeakPolarHBondContact O-CB 3.4Å; P261-M264 PolarHBondContact O-N 2.95Å
262K90.3Very high79.4Confident218 Ų218133.4 Ų133.495%0.94866%0.658SS**THydrogen-bonded Turntrans-55.8125176.5-172.584.3172.5-164.90109.5
263G92.1Very high81.6Confident62 Ų62128.3 Ų128.364%0.63964%0.642SS**THydrogen-bonded Turntrans86.8-6.4-176.300000115.5P261P261-G263 PolarHBondContact O-N 3.48Å
264M94.4Very high84Confident99 Ų99123 Ų12349%0.48862%0.622SS.*  trans-96.5122.8172-177.958.965.300110.1P260 P261 L266P260-M264 HydrophobicContact CB-CB 4.23Å; P260-M264 HydrophobicContact CB-CG 4.15Å; P260-M264 WeakPolarHBondContact CB-O 3.36Å; P260-M264 WeakPolarHBondContact CG-O 3.35Å; P261-M264 HydrophobicContact CB-CB 4.24Å; P261-M264 WeakPolarHBondContact O-CB 3.4Å; P261-M264 PolarHBondContact O-N 2.95Å; M264-L266 HydrophobicContact CG-CD1 3.8Å; M264-L266 HydrophobicContact CG-CG 3.96Å; M264-L266 HydrophobicContact SD-CD1 4.35Å; M264-L266 HydrophobicContact SD-CG 4.21Å
265Y93Very high86.4Confident199 Ų199119.1 Ų119.178%0.7861%0.613SS**  trans-107.5116.9179.1-58.8-86000109.1
266L93.7Very high88.5Confident107 Ų107114.1 Ų114.156%0.5661%0.608SS**  trans-140.4103.6-178.8-71.4170.7000108.3P260 M264 V271P260-L266 HydrophobicContact CB-CB 4.41Å; P260-L266 HydrophobicContact CB-CD1 4.27Å; M264-L266 HydrophobicContact CG-CD1 3.8Å; M264-L266 HydrophobicContact CG-CG 3.96Å; M264-L266 HydrophobicContact SD-CD1 4.35Å; M264-L266 HydrophobicContact SD-CG 4.21Å; L266-V271 HydrophobicContact CD2-CG2 4.33Å
267T93.7Very high90.6Very high67 Ų67112 Ų11241%0.41159%0.593SS.*  trans-106.6160.6171.179.90000110.5E269 D270 V271T267-E269 PolarHBondContact O-N 2.98Å; T267-E269 PolarHBondContact OG1-N 2.81Å; T267-D270 WeakPolarHBondContact CB-OD2 3.45Å; T267-D270 VanDerWaalsContact CG2-OD2 3.25Å; T267-D270 WeakPolarHBondContact CG2-OD2 3.46Å; T267-D270 PolarHBondContact OG1-N 3.37Å; T267-D270 PolarHBondContact OG1-OD2 2.92Å; T267-V271 WeakPolarHBondContact O-CB 3.27Å; T267-V271 VanDerWaalsContact O-CG2 3.25Å; T267-V271 WeakPolarHBondContact O-CG2 3.24Å; T267-V271 PolarHBondContact O-N 3.5Å
268Q94.2Very high92.3Very high151 Ų151106.5 Ų106.571%0.70660%0.596SS**Hα-helixtrans-64.2-31.2174.6-178.660.135.300111.9V272Q268-V272 WeakPolarHBondContact O-CB 3.5Å; Q268-V272 VanDerWaalsContact O-CG2 3.25Å; Q268-V272 WeakPolarHBondContact O-CG2 3.47Å; Q268-V272 PolarHBondContact O-N 2.78Å
269E96.5Very high93.7Very high159 Ų159104.5 Ų104.574%0.74358%0.583SS**Hα-helixtrans-71.5-52.6-179.8-175.1170.1-173.900111.1T267 V271 V272 A273T267-E269 PolarHBondContact O-N 2.98Å; T267-E269 PolarHBondContact OG1-N 2.81Å; E269-V271 VanDerWaalsContact C-N 3.32Å; E269-V271 PolarHBondContact O-N 3.12Å; E269-V272 PolarHBondContact O-N 3.39Å; E269-A273 WeakPolarHBondContact O-CB 3.36Å; E269-A273 PolarHBondContact O-N 3.16Å
270D95.7Very high94.4Very high79 Ų7994.4 Ų94.442%0.42255%0.547SS..Hα-helixtrans-57.5-45.1177.9-59.9-54.6000111.6T267 V272 A273 V274T267-D270 WeakPolarHBondContact CB-OD2 3.45Å; T267-D270 VanDerWaalsContact CG2-OD2 3.25Å; T267-D270 WeakPolarHBondContact CG2-OD2 3.46Å; T267-D270 PolarHBondContact OG1-N 3.37Å; T267-D270 PolarHBondContact OG1-OD2 2.92Å; D270-V272 PolarHBondContact O-N 3.24Å; D270-A273 PolarHBondContact O-N 3.2Å; D270-V274 VanDerWaalsContact O-CB 3.3Å; D270-V274 WeakPolarHBondContact O-CB 3.42Å; D270-V274 VanDerWaalsContact O-CG2 3.24Å; D270-V274 WeakPolarHBondContact O-CG2 3.27Å; D270-V274 PolarHBondContact O-N 3.45Å
271V95.3Very high94.8Very high71 Ų7193.1 Ų93.143%0.4354%0.542SS..Hα-helixtrans-62.6-43.4-179.3170.70000110.8L266 T267 E269 S275L266-V271 HydrophobicContact CD2-CG2 4.33Å; T267-V271 WeakPolarHBondContact O-CB 3.27Å; T267-V271 VanDerWaalsContact O-CG2 3.25Å; T267-V271 WeakPolarHBondContact O-CG2 3.24Å; T267-V271 PolarHBondContact O-N 3.5Å; E269-V271 VanDerWaalsContact C-N 3.32Å; E269-V271 PolarHBondContact O-N 3.12Å; V271-S275 VanDerWaalsContact O-CB 3.3Å; V271-S275 WeakPolarHBondContact O-CB 3.31Å; V271-S275 PolarHBondContact O-N 3.49Å; V271-S275 VanDerWaalsContact O-N 3.07Å; V271-S275 PolarHBondContact O-OG 3.06Å
272V96.9Very high95Very high77 Ų7793.1 Ų93.147%0.46754%0.536SS..Hα-helixtrans-67.5-44.3176.5168.90000111.4Q268 E269 D270 V274 S275 C276Q268-V272 WeakPolarHBondContact O-CB 3.5Å; Q268-V272 VanDerWaalsContact O-CG2 3.25Å; Q268-V272 WeakPolarHBondContact O-CG2 3.47Å; Q268-V272 PolarHBondContact O-N 2.78Å; E269-V272 PolarHBondContact O-N 3.39Å; D270-V272 PolarHBondContact O-N 3.24Å; V272-V274 PolarHBondContact O-N 3.25Å; V272-S275 PolarHBondContact O-N 3.09Å; V272-S275 PolarHBondContact O-OG 3.34Å; V272-C276 WeakPolarHBondContact O-CB 3.37Å; V272-C276 PolarHBondContact O-N 3.42Å
273A95.5Very high95.3Very high46 Ų4686 Ų8638%0.3851%0.511SS..Hα-helixtrans-62.2-42.5179.800000112.2E269 D270 C276 A280E269-A273 WeakPolarHBondContact O-CB 3.36Å; E269-A273 PolarHBondContact O-N 3.16Å; D270-A273 PolarHBondContact O-N 3.2Å; A273-C276 PolarHBondContact O-SG 3.24Å; A273-A280 WeakPolarHBondContact O-CB 3.37Å
274V96.7Very high95.5Very high67 Ų6786.3 Ų86.341%0.40650%0.498SS..Hα-helixtrans-71.2-33.1177.9171.10000112D270 V272 A281 L284D270-V274 VanDerWaalsContact O-CB 3.3Å; D270-V274 WeakPolarHBondContact O-CB 3.42Å; D270-V274 VanDerWaalsContact O-CG2 3.24Å; D270-V274 WeakPolarHBondContact O-CG2 3.27Å; D270-V274 PolarHBondContact O-N 3.45Å; V272-V274 PolarHBondContact O-N 3.25Å; V274-A281 HydrophobicContact CG1-CB 3.84Å; V274-L284 HydrophobicContact CG2-CD2 3.94Å
275S95.9Very high95.7Very high85 Ų8586.6 Ų86.659%0.59450%0.501SS*.Hα-helixtrans-92.1-7.4-177.172.20000115.8V271 V272 S277V271-S275 VanDerWaalsContact O-CB 3.3Å; V271-S275 WeakPolarHBondContact O-CB 3.31Å; V271-S275 PolarHBondContact O-N 3.49Å; V271-S275 VanDerWaalsContact O-N 3.07Å; V271-S275 PolarHBondContact O-OG 3.06Å; V272-S275 PolarHBondContact O-N 3.09Å; V272-S275 PolarHBondContact O-OG 3.34Å; S275-S277 PolarHBondContact O-N 3.25Å; S275-S277 VanDerWaalsContact O-N 3.11Å
276C94.8Very high95.9Very high94 Ų9483.8 Ų83.864%0.63549%0.489SS*.SBendtrans-63.4-20.5-170.372.40000114.8V272 A273 A280V272-C276 WeakPolarHBondContact O-CB 3.37Å; V272-C276 PolarHBondContact O-N 3.42Å; A273-C276 PolarHBondContact O-SG 3.24Å; C276-A280 WeakPolarHBondContact SG-CB 3.36Å
277S96Very high96.1Very high58 Ų5883.3 Ų83.341%0.40648%0.484SS..SBendtrans-158.1163.216969.60000111.6S275 S279 A280S275-S277 PolarHBondContact O-N 3.25Å; S275-S277 VanDerWaalsContact O-N 3.11Å; S277-S279 PolarHBondContact O-N 3.37Å; S277-A280 WeakPolarHBondContact O-CB 3.3Å; S277-A280 PolarHBondContact O-N 3.48Å; S277-A280 VanDerWaalsContact O-N 3.08Å; S277-A280 PolarHBondContact OG-N 3.15Å
278A95.1Very high96.3Very high110 Ų11084.4 Ų84.491%0.90949%0.487SS*.THydrogen-bonded Turntrans-60.8-14.8179.900000114.9
279S96.4Very high96.5Very high67 Ų6781.8 Ų81.847%0.46948%0.478SS..THydrogen-bonded Turntrans-113.1-1.9177.458.60000113.9S277 N282 T283S277-S279 PolarHBondContact O-N 3.37Å; S279-N282 PolarHBondContact O-N 2.94Å; S279-T283 WeakPolarHBondContact O-CB 3.35Å; S279-T283 PolarHBondContact O-N 2.85Å; S279-T283 VanDerWaalsContact O-N 3.12Å; S279-T283 PolarHBondContact O-OG1 2.95Å
280A96.3Very high96.6Very high11 Ų1180.8 Ų80.89%0.09148%0.475CS..Hα-helixtrans-60.5-53.7-175.300000112.4A273 C276 S277 N282 T283 L284A273-A280 WeakPolarHBondContact O-CB 3.37Å; C276-A280 WeakPolarHBondContact SG-CB 3.36Å; S277-A280 WeakPolarHBondContact O-CB 3.3Å; S277-A280 PolarHBondContact O-N 3.48Å; S277-A280 VanDerWaalsContact O-N 3.08Å; S277-A280 PolarHBondContact OG-N 3.15Å; A280-N282 VanDerWaalsContact C-N 3.34Å; A280-N282 PolarHBondContact O-N 3.46Å; A280-T283 WeakPolarHBondContact O-CA 3.46Å; A280-T283 WeakPolarHBondContact O-CB 3.43Å; A280-T283 PolarHBondContact O-N 3.36Å; A280-L284 PolarHBondContact O-N 3.48Å
281A95.9Very high96.7Very high33 Ų3381.2 Ų81.227%0.27347%0.474SS..Hα-helixtrans-48.4-51.617600000113V274 T283 L284 L285V274-A281 HydrophobicContact CG1-CB 3.84Å; A281-T283 PolarHBondContact O-N 3.35Å; A281-L284 PolarHBondContact O-N 3.09Å; A281-L285 WeakPolarHBondContact O-CG 3.45Å; A281-L285 PolarHBondContact O-N 3.22Å
282N96.5Very high96.9Very high95 Ų9581.8 Ų81.851%0.50847%0.474SS..Hα-helixtrans-67.2-21.8179.7-71-50.4000113.5S279 A280 R286S279-N282 PolarHBondContact O-N 2.94Å; A280-N282 VanDerWaalsContact C-N 3.34Å; A280-N282 PolarHBondContact O-N 3.46Å; N282-R286 WeakPolarHBondContact O-CG 3.49Å; N282-R286 PolarHBondContact O-N 3.14Å; N282-R286 PolarHBondContact O-NE 3.21Å; N282-R286 PolarHBondContact O-NH2 2.87Å
283T97.3Very high97Very high69 Ų6982.3 Ų82.342%0.42348%0.477SS..Hα-helixtrans-86.6-41.8179.4-570000110.8S279 A280 A281 R286 Q287S279-T283 WeakPolarHBondContact O-CB 3.35Å; S279-T283 PolarHBondContact O-N 2.85Å; S279-T283 VanDerWaalsContact O-N 3.12Å; S279-T283 PolarHBondContact O-OG1 2.95Å; A280-T283 WeakPolarHBondContact O-CA 3.46Å; A280-T283 WeakPolarHBondContact O-CB 3.43Å; A280-T283 PolarHBondContact O-N 3.36Å; A281-T283 PolarHBondContact O-N 3.35Å; T283-R286 PolarHBondContact O-N 3.39Å; T283-Q287 PolarHBondContact O-N 3.1Å
284L96.9Very high97.1Very high68 Ų6882.5 Ų82.536%0.35648%0.476SS..Hα-helixtrans-61.7-44.9172.9-177.260.6000111.7V274 A280 A281 R286 Q287 L288V274-L284 HydrophobicContact CG2-CD2 3.94Å; A280-L284 PolarHBondContact O-N 3.48Å; A281-L284 PolarHBondContact O-N 3.09Å; L284-R286 PolarHBondContact O-N 3.14Å; L284-Q287 WeakPolarHBondContact O-CB 3.41Å; L284-Q287 PolarHBondContact O-N 3.12Å; L284-L288 HydrophobicContact CG-CD1 4.3Å; L284-L288 WeakPolarHBondContact O-CG 3.39Å; L284-L288 PolarHBondContact O-N 3.32Å
285L97.1Very high97.2Very high105 Ų10584 Ų8455%0.5548%0.481SS..Hα-helixtrans-59.8-45.9175.3-70.4171.7000112A281 Q287 L288 D289A281-L285 WeakPolarHBondContact O-CG 3.45Å; A281-L285 PolarHBondContact O-N 3.22Å; L285-Q287 VanDerWaalsContact C-N 3.32Å; L285-Q287 PolarHBondContact O-N 3.23Å; L285-L288 PolarHBondContact O-N 3.14Å; L285-D289 PolarHBondContact O-N 3.47Å
286R97.6Very high97.3Very high140 Ų14085.8 Ų85.853%0.52848%0.478SS..Hα-helixtrans-63.4-34.9176.1-83-173.6-90.296.7-1.9113.3N282 T283 L284 M290N282-R286 WeakPolarHBondContact O-CG 3.49Å; N282-R286 PolarHBondContact O-N 3.14Å; N282-R286 PolarHBondContact O-NE 3.21Å; N282-R286 PolarHBondContact O-NH2 2.87Å; T283-R286 PolarHBondContact O-N 3.39Å; L284-R286 PolarHBondContact O-N 3.14Å; R286-M290 WeakPolarHBondContact O-CG 3.41Å; R286-M290 PolarHBondContact O-N 2.85Å; R286-M290 VanDerWaalsContact O-N 3.08Å
287Q98Very high97.5Very high97 Ų9788.6 Ų88.645%0.45348%0.475SS..Hα-helixtrans-64.2-48.1174.2179.961.127.400110.9T283 L284 L285 D289 M290 E291T283-Q287 PolarHBondContact O-N 3.1Å; L284-Q287 WeakPolarHBondContact O-CB 3.41Å; L284-Q287 PolarHBondContact O-N 3.12Å; L285-Q287 VanDerWaalsContact C-N 3.32Å; L285-Q287 PolarHBondContact O-N 3.23Å; Q287-D289 VanDerWaalsContact C-N 3.35Å; Q287-D289 PolarHBondContact O-N 2.71Å; Q287-M290 PolarHBondContact O-N 2.94Å; Q287-M290 VanDerWaalsContact O-N 3.16Å; Q287-E291 WeakPolarHBondContact CG-OE1 3.35Å; Q287-E291 PolarHBondContact NE2-OE1 3.48Å; Q287-E291 PolarHBondContact O-N 2.68Å
288L98Very high97.6Very high90 Ų9092 Ų9247%0.47149%0.485SS..Hα-helixtrans-62.9-37.9177.6-67.1170.3000112.4L284 L285 E291 L292L284-L288 HydrophobicContact CG-CD1 4.3Å; L284-L288 WeakPolarHBondContact O-CG 3.39Å; L284-L288 PolarHBondContact O-N 3.32Å; L285-L288 PolarHBondContact O-N 3.14Å; L288-E291 PolarHBondContact O-N 3.38Å; L288-L292 VanDerWaalsContact O-CB 3.22Å; L288-L292 WeakPolarHBondContact O-CB 3.47Å; L288-L292 PolarHBondContact O-N 3.44Å
289D98.4Very high97.8Very high97 Ų9790.6 Ų90.652%0.51947%0.465SS..Hα-helixtrans-62.5-42.5172.5-82.2-37.3000112.1L285 Q287 L292 V293L285-D289 PolarHBondContact O-N 3.47Å; Q287-D289 VanDerWaalsContact C-N 3.35Å; Q287-D289 PolarHBondContact O-N 2.71Å; D289-L292 PolarHBondContact O-N 2.96Å; D289-V293 WeakPolarHBondContact O-CG2 3.4Å; D289-V293 PolarHBondContact O-N 3.42Å
290M98.3Very high97.9Very high138 Ų13893 Ų9368%0.6847%0.469SS*.Hα-helixtrans-66.8-40.6177.2-74-17170.300112.1R286 Q287 V293 S294R286-M290 WeakPolarHBondContact O-CG 3.41Å; R286-M290 PolarHBondContact O-N 2.85Å; R286-M290 VanDerWaalsContact O-N 3.08Å; Q287-M290 PolarHBondContact O-N 2.94Å; Q287-M290 VanDerWaalsContact O-N 3.16Å; M290-V293 PolarHBondContact O-N 3.28Å; M290-S294 WeakPolarHBondContact O-CB 3.3Å; M290-S294 PolarHBondContact O-N 3.05Å
291E98.4Very high98Very high88 Ų8897 Ų9741%0.41149%0.489SS..Hα-helixtrans-63.5-44.7173.3-74.7174.6-157.500111.7Q287 L288 V293 S294 L295Q287-E291 WeakPolarHBondContact CG-OE1 3.35Å; Q287-E291 PolarHBondContact NE2-OE1 3.48Å; Q287-E291 PolarHBondContact O-N 2.68Å; L288-E291 PolarHBondContact O-N 3.38Å; E291-V293 VanDerWaalsContact C-N 3.33Å; E291-V293 PolarHBondContact O-N 3.25Å; E291-S294 CarbonylContact O-C 3.09Å; E291-S294 WeakPolarHBondContact O-CA 3.45Å; E291-S294 WeakPolarHBondContact O-CB 3.43Å; E291-S294 PolarHBondContact O-N 3.25Å; E291-L295 WeakPolarHBondContact O-CB 3.27Å; E291-L295 WeakPolarHBondContact O-CG 3.34Å; E291-L295 PolarHBondContact O-N 2.88Å
292L98.4Very high98.1Very high82 Ų8297.4 Ų97.443%0.42949%0.492SS..Hα-helixtrans-59.1-41.5175.7179.962.3000112.1L288 D289 K296L288-L292 VanDerWaalsContact O-CB 3.22Å; L288-L292 WeakPolarHBondContact O-CB 3.47Å; L288-L292 PolarHBondContact O-N 3.44Å; D289-L292 PolarHBondContact O-N 2.96Å; L292-K296 HydrophobicContact CD1-CD 4.35Å; L292-K296 HydrophobicContact CG-CD 4.19Å; L292-K296 VanDerWaalsContact O-CB 3.29Å; L292-K296 WeakPolarHBondContact O-CB 3.47Å; L292-K296 WeakPolarHBondContact O-CD 3.34Å; L292-K296 WeakPolarHBondContact O-CG 3.25Å; L292-K296 PolarHBondContact O-N 3Å
293V98.6Very high98.2Very high88 Ų8898.7 Ų98.753%0.53349%0.494SS..Hα-helixtrans-67.9-36.7173.71700000111.5D289 M290 E291 R297D289-V293 WeakPolarHBondContact O-CG2 3.4Å; D289-V293 PolarHBondContact O-N 3.42Å; M290-V293 PolarHBondContact O-N 3.28Å; E291-V293 VanDerWaalsContact C-N 3.33Å; E291-V293 PolarHBondContact O-N 3.25Å; V293-R297 WeakPolarHBondContact O-CB 3.49Å; V293-R297 PolarHBondContact O-N 3.11Å
294S98.6Very high98.2Very high50 Ų50102.4 Ų102.435%0.3551%0.506SS..Hα-helixtrans-65.5-49176.7-150.30000112.3M290 E291 R297 Q298M290-S294 WeakPolarHBondContact O-CB 3.3Å; M290-S294 PolarHBondContact O-N 3.05Å; E291-S294 CarbonylContact O-C 3.09Å; E291-S294 WeakPolarHBondContact O-CA 3.45Å; E291-S294 WeakPolarHBondContact O-CB 3.43Å; E291-S294 PolarHBondContact O-N 3.25Å; S294-R297 WeakPolarHBondContact O-CB 3.37Å; S294-R297 PolarHBondContact O-N 3.3Å; S294-R297 PolarHBondContact OG-NH2 3.41Å; S294-Q298 PolarHBondContact O-N 2.89Å
295L98.6Very high98.3Very high99 Ų99104.5 Ų104.552%0.51852%0.515SS..Hα-helixtrans-63.2-42.3176.1-69.5168.6000111.5E291 R297 Q298 V299E291-L295 WeakPolarHBondContact O-CB 3.27Å; E291-L295 WeakPolarHBondContact O-CG 3.34Å; E291-L295 PolarHBondContact O-N 2.88Å; L295-R297 VanDerWaalsContact C-N 3.31Å; L295-R297 PolarHBondContact O-N 3.36Å; L295-Q298 PolarHBondContact O-N 3.45Å; L295-V299 WeakPolarHBondContact O-CG2 3.25Å; L295-V299 PolarHBondContact O-N 3.23Å
296K98.6Very high98.3Very high122 Ų122103.9 Ų103.953%0.5351%0.513SS..Hα-helixtrans-56.9-43.1172.6-79.2167.8179.8169.70111.8L292 V299 Q300L292-K296 HydrophobicContact CD1-CD 4.35Å; L292-K296 HydrophobicContact CG-CD 4.19Å; L292-K296 VanDerWaalsContact O-CB 3.29Å; L292-K296 WeakPolarHBondContact O-CB 3.47Å; L292-K296 WeakPolarHBondContact O-CD 3.34Å; L292-K296 WeakPolarHBondContact O-CG 3.25Å; L292-K296 PolarHBondContact O-N 3Å; K296-V299 PolarHBondContact O-N 2.91Å; K296-Q300 WeakPolarHBondContact O-CG 3.41Å; K296-Q300 PolarHBondContact O-N 3.31Å; K296-Q300 VanDerWaalsContact O-N 3.15Å
297R98.6Very high98.3Very high153 Ų153100.8 Ų100.858%0.57751%0.512SS*.Hα-helixtrans-65.3-42.7176.4-174.8176.563.8-96.8-7.9112V293 S294 L295 Q300 N301V293-R297 WeakPolarHBondContact O-CB 3.49Å; V293-R297 PolarHBondContact O-N 3.11Å; S294-R297 WeakPolarHBondContact O-CB 3.37Å; S294-R297 PolarHBondContact O-N 3.3Å; S294-R297 PolarHBondContact OG-NH2 3.41Å; L295-R297 VanDerWaalsContact C-N 3.31Å; L295-R297 PolarHBondContact O-N 3.36Å; R297-Q300 PolarHBondContact O-N 2.8Å; R297-N301 PolarHBondContact O-N 3.02Å
298Q98.4Very high98.3Very high129 Ų12998 Ų9860%0.60351%0.51SS*.Hα-helixtrans-61.4-43.1175.9-169.6179.713.700111.8S294 L295 Q300 N301 A302S294-Q298 PolarHBondContact O-N 2.89Å; L295-Q298 PolarHBondContact O-N 3.45Å; Q298-Q300 VanDerWaalsContact C-N 3.34Å; Q298-Q300 PolarHBondContact O-N 2.99Å; Q298-N301 PolarHBondContact O-N 2.94Å; Q298-A302 WeakPolarHBondContact O-CB 3.47Å; Q298-A302 PolarHBondContact O-N 2.95Å
299V98.6Very high98.2Very high81 Ų8198.3 Ų98.349%0.49151%0.511SS..Hα-helixtrans-61.5-38.8175.61680000112.1L295 K296 K303L295-V299 WeakPolarHBondContact O-CG2 3.25Å; L295-V299 PolarHBondContact O-N 3.23Å; K296-V299 PolarHBondContact O-N 2.91Å; V299-K303 HydrophobicContact CG1-CD 4.26Å; V299-K303 WeakPolarHBondContact O-CB 3.48Å; V299-K303 VanDerWaalsContact O-CG 3.29Å; V299-K303 WeakPolarHBondContact O-CG 3.5Å; V299-K303 PolarHBondContact O-N 3.47Å
300Q98.6Very high98.1Very high118 Ų118101.3 Ų101.355%0.55152%0.519SS*.Hα-helixtrans-70.3-38176.4-61.6-66.117.400112.3K296 R297 Q298 K303 Q304K296-Q300 WeakPolarHBondContact O-CG 3.41Å; K296-Q300 PolarHBondContact O-N 3.31Å; K296-Q300 VanDerWaalsContact O-N 3.15Å; R297-Q300 PolarHBondContact O-N 2.8Å; Q298-Q300 VanDerWaalsContact C-N 3.34Å; Q298-Q300 PolarHBondContact O-N 2.99Å; Q300-K303 PolarHBondContact O-N 3.44Å; Q300-K303 VanDerWaalsContact OE1-CD 3.3Å; Q300-Q304 PolarHBondContact O-N 3.23Å
301N98.5Very high98Very high94 Ų94102.2 Ų102.250%0.50352%0.522SS..Hα-helixtrans-63.5-45.5173176.4-103000111.8R297 Q298 K303 Q304 M305R297-N301 PolarHBondContact O-N 3.02Å; Q298-N301 PolarHBondContact O-N 2.94Å; N301-K303 VanDerWaalsContact C-N 3.32Å; N301-K303 PolarHBondContact O-N 2.9Å; N301-Q304 WeakPolarHBondContact O-CB 3.35Å; N301-Q304 PolarHBondContact O-N 3.33Å; N301-Q304 VanDerWaalsContact O-N 3.14Å; N301-M305 WeakPolarHBondContact O-CG 3.25Å; N301-M305 PolarHBondContact O-N 2.92Å
302A98.3Very high97.7Very high43 Ų43104.5 Ų104.536%0.35554%0.537SS..Hα-helixtrans-61.1-38.7175.100000112.4Q298 N306Q298-A302 WeakPolarHBondContact O-CB 3.47Å; Q298-A302 PolarHBondContact O-N 2.95Å; A302-N306 VanDerWaalsContact O-CB 3.26Å; A302-N306 WeakPolarHBondContact O-CB 3.37Å; A302-N306 PolarHBondContact O-N 2.9Å; A302-N306 PolarHBondContact O-ND2 3.46Å
303K98.4Very high97.6Very high122 Ų122106.7 Ų106.753%0.5355%0.548SS..Hα-helixtrans-61.4-43.8172-79.2170.9174.8-176.10112.3V299 Q300 N301 N306 S307V299-K303 HydrophobicContact CG1-CD 4.26Å; V299-K303 WeakPolarHBondContact O-CB 3.48Å; V299-K303 VanDerWaalsContact O-CG 3.29Å; V299-K303 WeakPolarHBondContact O-CG 3.5Å; V299-K303 PolarHBondContact O-N 3.47Å; Q300-K303 PolarHBondContact O-N 3.44Å; Q300-K303 VanDerWaalsContact OE1-CD 3.3Å; N301-K303 VanDerWaalsContact C-N 3.32Å; N301-K303 PolarHBondContact O-N 2.9Å; K303-N306 PolarHBondContact O-N 3.45Å; K303-S307 WeakPolarHBondContact O-CB 3.35Å; K303-S307 PolarHBondContact O-N 3.32Å
304Q98.1Very high97.2Very high146 Ų146109.3 Ų109.368%0.68256%0.559SS**Hα-helixtrans-63.1-47.2178.1-173.9178.2-1.900111.4Q300 N301 S307 G308Q300-Q304 PolarHBondContact O-N 3.23Å; N301-Q304 WeakPolarHBondContact O-CB 3.35Å; N301-Q304 PolarHBondContact O-N 3.33Å; N301-Q304 VanDerWaalsContact O-N 3.14Å; Q304-S307 WeakPolarHBondContact O-CB 3.36Å; Q304-S307 PolarHBondContact O-N 2.72Å; Q304-G308 PolarHBondContact O-N 2.84Å; Q304-G308 VanDerWaalsContact O-N 3.15Å
305M98.1Very high96.7Very high113 Ų113111.1 Ų111.156%0.55757%0.571SS**Hα-helixtrans-59.7-49.1175.7-68.3-59.6-64.200111.8N301 S307 G308 L309N301-M305 WeakPolarHBondContact O-CG 3.25Å; N301-M305 PolarHBondContact O-N 2.92Å; M305-S307 VanDerWaalsContact C-N 3.26Å; M305-S307 PolarHBondContact O-N 3.19Å; M305-G308 PolarHBondContact O-N 3.12Å; M305-G308 VanDerWaalsContact O-N 3.16Å; M305-L309 WeakPolarHBondContact O-CG 3.27Å; M305-L309 PolarHBondContact O-N 3.4Å
306N97.6Very high96.4Very high92 Ų92108.1 Ų108.149%0.49256%0.564SS.*Hα-helixtrans-65-28.6178.4-71.4-16.7000112.8A302 K303 K310A302-N306 VanDerWaalsContact O-CB 3.26Å; A302-N306 WeakPolarHBondContact O-CB 3.37Å; A302-N306 PolarHBondContact O-N 2.9Å; A302-N306 PolarHBondContact O-ND2 3.46Å; K303-N306 PolarHBondContact O-N 3.45Å; N306-K310 WeakPolarHBondContact O-CB 3.36Å; N306-K310 VanDerWaalsContact O-CG 3.31Å; N306-K310 WeakPolarHBondContact O-CG 3.41Å; N306-K310 PolarHBondContact O-N 2.96Å
307S97.7Very high96.1Very high75 Ų75107.2 Ų107.252%0.52456%0.564SS.*Hα-helixtrans-67.9-41.4173.3-163.70000111.7K303 Q304 M305 K310 Q311K303-S307 WeakPolarHBondContact O-CB 3.35Å; K303-S307 PolarHBondContact O-N 3.32Å; Q304-S307 WeakPolarHBondContact O-CB 3.36Å; Q304-S307 PolarHBondContact O-N 2.72Å; M305-S307 VanDerWaalsContact C-N 3.26Å; M305-S307 PolarHBondContact O-N 3.19Å; S307-K310 PolarHBondContact O-N 3.16Å; S307-Q311 PolarHBondContact O-N 2.99Å
308G97Very high95.7Very high38 Ų38106 Ų10639%0.39257%0.565SS.*Hα-helixtrans-65.4-44.1174.500000112.4Q304 M305 K310 Q311 L312Q304-G308 PolarHBondContact O-N 2.84Å; Q304-G308 VanDerWaalsContact O-N 3.15Å; M305-G308 PolarHBondContact O-N 3.12Å; M305-G308 VanDerWaalsContact O-N 3.16Å; G308-K310 VanDerWaalsContact C-N 3.33Å; G308-K310 PolarHBondContact O-N 3.35Å; G308-Q311 PolarHBondContact O-N 3.49Å; G308-L312 PolarHBondContact O-N 3.12Å
309L96.8Very high95.4Very high96 Ų96106.4 Ų106.450%0.50357%0.567SS.*Hα-helixtrans-62.5-38.1175.2-67.8174.4000112.4M305 L312 L313M305-L309 WeakPolarHBondContact O-CG 3.27Å; M305-L309 PolarHBondContact O-N 3.4Å; L309-L312 PolarHBondContact O-N 3.4Å; L309-L313 WeakPolarHBondContact O-CG 3.39Å; L309-L313 PolarHBondContact O-N 3.22Å
310K96.2Very high95Very high160 Ų160110.5 Ų110.570%0.69658%0.575SS**Hα-helixtrans-63.9-43.9173.2-81.5-174.8171.7-1580112.4N306 S307 G308 L312 L313 D314N306-K310 WeakPolarHBondContact O-CB 3.36Å; N306-K310 VanDerWaalsContact O-CG 3.31Å; N306-K310 WeakPolarHBondContact O-CG 3.41Å; N306-K310 PolarHBondContact O-N 2.96Å; S307-K310 PolarHBondContact O-N 3.16Å; G308-K310 VanDerWaalsContact C-N 3.33Å; G308-K310 PolarHBondContact O-N 3.35Å; K310-L312 VanDerWaalsContact C-N 3.28Å; K310-L312 PolarHBondContact O-N 3.21Å; K310-L313 CarbonylContact O-C 3.59Å; K310-L313 PolarHBondContact O-N 3.46Å; K310-L313 VanDerWaalsContact O-N 3.1Å; K310-D314 PolarHBondContact O-N 3.21Å
311Q95.4Very high94.7Very high158 Ų158112.1 Ų112.174%0.73858%0.576SS**Hα-helixtrans-63.6-34.2177.6-171.3177.38.400112.3S307 G308 L313 D314S307-Q311 PolarHBondContact O-N 2.99Å; G308-Q311 PolarHBondContact O-N 3.49Å; Q311-L313 VanDerWaalsContact C-N 3.26Å; Q311-L313 PolarHBondContact O-N 3.35Å; Q311-D314 WeakPolarHBondContact O-CB 3.47Å; Q311-D314 PolarHBondContact O-N 3.36Å
312L93.9Very high94.2Very high136 Ų136115.3 Ų115.371%0.71259%0.592SS**Hα-helixtrans-68.9-23.4174.9-174.261.8000113.2G308 L309 K310G308-L312 PolarHBondContact O-N 3.12Å; L309-L312 PolarHBondContact O-N 3.4Å; K310-L312 VanDerWaalsContact C-N 3.28Å; K310-L312 PolarHBondContact O-N 3.21Å
313L94.4Very high93.6Very high128 Ų128120.1 Ų120.167%0.6762%0.617SS**THydrogen-bonded Turntrans-101.56.5-179.6-65.2171.8000113.3L309 K310 Q311 S315 G316L309-L313 WeakPolarHBondContact O-CG 3.39Å; L309-L313 PolarHBondContact O-N 3.22Å; K310-L313 CarbonylContact O-C 3.59Å; K310-L313 PolarHBondContact O-N 3.46Å; K310-L313 VanDerWaalsContact O-N 3.1Å; Q311-L313 VanDerWaalsContact C-N 3.26Å; Q311-L313 PolarHBondContact O-N 3.35Å; L313-S315 VanDerWaalsContact C-N 3.3Å; L313-S315 PolarHBondContact O-N 2.85Å; L313-G316 WeakPolarHBondContact O-CA 3.49Å; L313-G316 PolarHBondContact O-N 2.57Å
314D91.7Very high92.8Very high143 Ų143122.2 Ų122.277%0.76563%0.629SS**THydrogen-bonded Turntrans-67-27.6-173-162.861.5000113.2K310 Q311 G316K310-D314 PolarHBondContact O-N 3.21Å; Q311-D314 WeakPolarHBondContact O-CB 3.47Å; Q311-D314 PolarHBondContact O-N 3.36Å; D314-G316 PolarHBondContact O-N 3.05Å
315S87.5Confident91.8Very high87 Ų87119.1 Ų119.161%0.60862%0.624SS**THydrogen-bonded Turntrans-68.8-14.5170.355.20000113.7L313L313-S315 VanDerWaalsContact C-N 3.3Å; L313-S315 PolarHBondContact O-N 2.85Å
316G91.2Very high90.9Very high36 Ų36121.1 Ų121.137%0.37164%0.636SS.*THydrogen-bonded Turntrans63.1-147.4-177.500000113.2L313 D314L313-G316 WeakPolarHBondContact O-CA 3.49Å; L313-G316 PolarHBondContact O-N 2.57Å; D314-G316 PolarHBondContact O-N 3.05Å
317I94Very high90.5Very high103 Ų103122 Ų12253%0.52864%0.637SS.*THydrogen-bonded Turntrans-128.114.1177.362.9169.6000113E319 Y320 R321I317-E319 VanDerWaalsContact C-N 3.34Å; I317-E319 PolarHBondContact O-N 3.3Å; I317-Y320 PolarHBondContact O-N 2.86Å; I317-R321 PolarHBondContact O-N 3.33Å
318E90.3Very high90.3Very high127 Ų127127.6 Ų127.659%0.59365%0.652SS**G310 helixtrans-64.5-36.6-172.2-56.4-53.3148.400112.5Y320 R321E318-Y320 PolarHBondContact O-N 2.85Å; E318-R321 PolarHBondContact O-N 3.3Å; E318-R321 IonicContact OE1-CZ 2.69Å; E318-R321 IonicContact OE1-NH1 3.44Å; E318-R321 PolarHBondContact OE1-NH1 2.83Å; E318-R321 IonicContact OE2-CZ 3.24Å; E318-R321 IonicContact OE2-NH1 2.61Å; E318-R321 PolarHBondContact OE2-NH1 2.81Å
319E90.4Very high90.2Very high139 Ų139130 Ų13065%0.6566%0.659SS**G310 helixtrans-69.1-17.2175.567.3-177.2168.800113.7I317I317-E319 VanDerWaalsContact C-N 3.34Å; I317-E319 PolarHBondContact O-N 3.3Å
320Y91.7Very high90Very high166 Ų166128.8 Ų128.865%0.65165%0.654SS**G310 helixtrans-99.4-1.9176.9-53.6-67.1000113.1I317 E318 L322I317-Y320 PolarHBondContact O-N 2.86Å; E318-Y320 PolarHBondContact O-N 2.85Å; Y320-L322 PolarHBondContact O-N 3.46Å
321R91.3Very high90Very high153 Ų153124.8 Ų124.858%0.57765%0.65SS**  trans-73.4111.8173.9-83.2-160.8168.189.72.1110.7I317 E318I317-R321 PolarHBondContact O-N 3.33Å; E318-R321 PolarHBondContact O-N 3.3Å; E318-R321 IonicContact OE1-CZ 2.69Å; E318-R321 IonicContact OE1-NH1 3.44Å; E318-R321 PolarHBondContact OE1-NH1 2.83Å; E318-R321 IonicContact OE2-CZ 3.24Å; E318-R321 IonicContact OE2-NH1 2.61Å; E318-R321 PolarHBondContact OE2-NH1 2.81Å
322L89.1Confident90Very high161 Ų161126.3 Ų126.384%0.84365%0.649SS**PPolyproline II helixtrans-74.8147.2168.7-58.1178.5000110.7Y320 E324Y320-L322 PolarHBondContact O-N 3.46Å; L322-E324 PolarHBondContact O-N 3.47Å
323T84.9Confident90.1Very high144 Ų144122 Ų12288%0.88362%0.623SS**PPolyproline II helixtrans-62126177.4-49.70000111.7S325T323-S325 PolarHBondContact O-N 3.47Å
324E81.6Confident90.2Very high166 Ų166118.5 Ų118.578%0.77661%0.607SS**PPolyproline II helixtrans-65.9129.8178.6-64.4-175164.900112.5L322 N326L322-E324 PolarHBondContact O-N 3.47Å; E324-N326 PolarHBondContact O-N 3.16Å; E324-N326 VanDerWaalsContact O-N 3.08Å
325S78.1Confident90.5Very high81 Ų81116.3 Ų116.357%0.56660%0.599SS**  trans-80.789-175.546.20000112.2T323 Q327T323-S325 PolarHBondContact O-N 3.47Å; S325-Q327 PolarHBondContact O-N 3.24Å
326N78.8Confident90.9Very high154 Ų154117.5 Ų117.582%0.82460%0.599SS**  trans-72.351.8177.1-98.9-93.7000114E324E324-N326 PolarHBondContact O-N 3.16Å; E324-N326 VanDerWaalsContact O-N 3.08Å
327Q89.1Confident91.2Very high110 Ų110116.6 Ų116.651%0.51459%0.585SS.*PPolyproline II helixtrans-79.8135.5174-63.2-162.829.500111.3S325 N362S325-Q327 PolarHBondContact O-N 3.24Å; Q327-N362 HydrophobicContact CB-CB 4.03Å
328K92.8Very high91.3Very high193 Ų193113 Ų11384%0.83957%0.566SS**PPolyproline II helixtrans-73.7130.9174.4-67.5-174.5178.4-177.60110.2N330K328-N330 PolarHBondContact O-N 2.89Å
329V94.7Very high91.6Very high89 Ų89110.4 Ų110.454%0.53956%0.556SS.*PPolyproline II helixtrans-53.5129.1177.9171.30000111.1N362 T364V329-N362 CarbonylContact C-O 3.57Å; V329-N362 VanDerWaalsContact CA-O 3.31Å; V329-N362 WeakPolarHBondContact CA-O 3.44Å; V329-T364 HydrophobicContact CG1-CG2 3.71Å; V329-T364 HydrophobicContact CG2-CG2 4.05Å
330N93.9Very high91.8Very high71 Ų71107.5 Ų107.538%0.3854%0.544SS..  trans-128117.8-177-175.1-2.2000111.3K328 R332 N362 K363K328-N330 PolarHBondContact O-N 2.89Å; N330-R332 VanDerWaalsContact C-N 3.29Å; N330-R332 PolarHBondContact O-N 3.45Å; N330-R332 WeakPolarHBondContact OD1-CB 3.31Å; N330-R332 PolarHBondContact OD1-N 3.02Å; N330-N362 PolarHBondContact N-O 3.2Å; N330-K363 WeakPolarHBondContact O-CD 3.46Å; N330-K363 VanDerWaalsContact O-CE 3.29Å; N330-K363 WeakPolarHBondContact O-CE 3.38Å; N330-K363 PolarHBondContact O-NZ 3.27Å
331A94.3Very high92.1Very high75 Ų7599.6 Ų99.662%0.6251%0.513SS*.  trans-72.6-16.4-179.400000114.5
332R96.3Very high92.3Very high190 Ų19093.1 Ų93.172%0.71749%0.49SS*.SBendtrans-76.1136.2172.6-176.3176.6-63.5-81.5-0.9109.3N330 E337 K363N330-R332 VanDerWaalsContact C-N 3.29Å; N330-R332 PolarHBondContact O-N 3.45Å; N330-R332 WeakPolarHBondContact OD1-CB 3.31Å; N330-R332 PolarHBondContact OD1-N 3.02Å; R332-E337 VanDerWaalsContact O-OE2 3.06Å; R332-K363 WeakPolarHBondContact O-CE 3.38Å; R332-K363 PolarHBondContact O-NZ 2.92Å
333W96.9Very high92.4Very high46 Ų4691.7 Ų91.717%0.17448%0.48CS..PPolyproline II helixtrans-96.1117170.9-72.691000110.2E337 Q338 A341 I360 K363 Q367 V368 F371W333-E337 VanDerWaalsContact CA-OE2 3.29Å; W333-E337 WeakPolarHBondContact CA-OE2 3.23Å; W333-E337 HydrophobicContact CE3-CB 3.96Å; W333-E337 HydrophobicContact CZ3-CB 4.33Å; W333-Q338 HydrophobicContact CB-CG 4.04Å; W333-Q338 HydrophobicContact CE3-CG 4.13Å; W333-Q338 PolarHBondContact O-NE2 2.93Å; W333-A341 HydrophobicContact CH2-CB 4.39Å; W333-A341 HydrophobicContact CZ3-CB 3.93Å; W333-I360 HydrophobicContact CH2-CD1 3.91Å; W333-I360 HydrophobicContact CZ3-CD1 3.94Å; W333-K363 HydrophobicContact CD2-CD 4.2Å; W333-K363 VanDerWaalsContact CD2-CE 3.49Å; W333-K363 HydrophobicContact CE3-CD 4.37Å; W333-K363 HydrophobicContact CH2-CB 4.29Å; W333-K363 HydrophobicContact CH2-CD 3.9Å; W333-K363 HydrophobicContact CH2-CG 3.67Å; W333-K363 HydrophobicContact CZ2-CD 3.68Å; W333-K363 HydrophobicContact CZ2-CG 3.95Å; W333-K363 HydrophobicContact CZ3-CD 4.22Å; W333-K363 HydrophobicContact CZ3-CG 3.99Å; W333-Q367 HydrophobicContact CZ2-CB 4.39Å; W333-V368 HydrophobicContact CH2-CG2 4.49Å; W333-F371 HydrophobicContact CD2-CD2 4.15Å; W333-F371 HydrophobicContact CE3-CD2 4.18Å; W333-F371 HydrophobicContact CH2-CB 3.94Å; W333-F371 HydrophobicContact CH2-CD2 4.25Å; W333-F371 HydrophobicContact CH2-CG 4.04Å; W333-F371 HydrophobicContact CZ2-CB 3.59Å; W333-F371 HydrophobicContact CZ2-CD2 4.24Å; W333-F371 HydrophobicContact CZ2-CG 4.09Å; W333-F371 HydrophobicContact CZ3-CD2 4.23Å; W333-F371 HydrophobicContact CZ3-CG 4.4Å
334T96.7Very high92.6Very high54 Ų5486.4 Ų86.433%0.33145%0.451SS..PPolyproline II helixtrans-77.6167.9167.273.90000110.4D336 E337 Q338T334-D336 VanDerWaalsContact C-N 3.31Å; T334-D336 PolarHBondContact OG1-N 2.91Å; T334-E337 HydrophobicContact CG2-CG 4.48Å; T334-E337 PolarHBondContact N-OE2 2.87Å; T334-E337 WeakPolarHBondContact OG1-CB 3.25Å; T334-E337 WeakPolarHBondContact OG1-CG 3.44Å; T334-E337 PolarHBondContact OG1-N 3.33Å; T334-E337 VanDerWaalsContact OG1-N 3.1Å; T334-Q338 VanDerWaalsContact O-CG 3.22Å; T334-Q338 WeakPolarHBondContact O-CG 3.24Å; T334-Q338 PolarHBondContact O-N 3.23Å; T334-Q338 PolarHBondContact O-NE2 3.07Å
335T96.8Very high93.2Very high98 Ų9878.5 Ų78.560%0.60141%0.414SS*.Hα-helixtrans-61.8-42.4174.3-50.40000111.1Q338 L339T335-Q338 WeakPolarHBondContact O-CB 3.3Å; T335-Q338 PolarHBondContact O-N 2.88Å; T335-Q338 VanDerWaalsContact O-N 3.16Å; T335-L339 HydrophobicContact CG2-CD1 4.38Å; T335-L339 WeakPolarHBondContact O-CG 3.34Å; T335-L339 PolarHBondContact O-N 3.31Å
336D96.4Very high93.9Very high112 Ų11274.7 Ų74.760%0.59939%0.387SS*.Hα-helixtrans-67.9-39.5-176.4-44.2-40.2000111.4T334 Q338 L339 L340T334-D336 VanDerWaalsContact C-N 3.31Å; T334-D336 PolarHBondContact OG1-N 2.91Å; D336-Q338 VanDerWaalsContact C-N 3.29Å; D336-Q338 PolarHBondContact O-N 3.47Å; D336-L339 PolarHBondContact O-N 2.88Å; D336-L340 WeakPolarHBondContact O-CB 3.29Å; D336-L340 WeakPolarHBondContact O-CG 3.35Å; D336-L340 PolarHBondContact O-N 3.34Å
337E96.6Very high94.7Very high16 Ų1670.2 Ų70.28%0.07536%0.358CS..Hα-helixtrans-63.1-34.1173.1-71167.4170.300112.4R332 W333 T334 A341 I360 N362 K363R332-E337 VanDerWaalsContact O-OE2 3.06Å; W333-E337 VanDerWaalsContact CA-OE2 3.29Å; W333-E337 WeakPolarHBondContact CA-OE2 3.23Å; W333-E337 HydrophobicContact CE3-CB 3.96Å; W333-E337 HydrophobicContact CZ3-CB 4.33Å; T334-E337 HydrophobicContact CG2-CG 4.48Å; T334-E337 PolarHBondContact N-OE2 2.87Å; T334-E337 WeakPolarHBondContact OG1-CB 3.25Å; T334-E337 WeakPolarHBondContact OG1-CG 3.44Å; T334-E337 PolarHBondContact OG1-N 3.33Å; T334-E337 VanDerWaalsContact OG1-N 3.1Å; E337-A341 VanDerWaalsContact O-CB 3.24Å; E337-A341 WeakPolarHBondContact O-CB 3.41Å; E337-A341 PolarHBondContact O-N 3.11Å; E337-I360 HydrophobicContact CB-CG2 4.23Å; E337-I360 HydrophobicContact CG-CG2 4.07Å; E337-N362 PolarHBondContact OE1-ND2 3.03Å; E337-N362 PolarHBondContact OE1-OD1 3.44Å; E337-K363 IonicContact OE1-NZ 3.42Å; E337-K363 PolarHBondContact OE1-NZ 3.27Å; E337-K363 VanDerWaalsContact OE1-NZ 3.12Å; E337-K363 WeakPolarHBondContact OE2-CE 3.47Å; E337-K363 IonicContact OE2-NZ 3.58Å; E337-K363 PolarHBondContact OE2-NZ 3.4Å
338Q96.4Very high94.9Very high29 Ų2970.9 Ų70.914%0.13636%0.36CS..Hα-helixtrans-71.5-41.1175.7-67166.169.800111.1W333 T334 T335 D336 A341 V342 F371 Y375 F379W333-Q338 HydrophobicContact CB-CG 4.04Å; W333-Q338 HydrophobicContact CE3-CG 4.13Å; W333-Q338 PolarHBondContact O-NE2 2.93Å; T334-Q338 VanDerWaalsContact O-CG 3.22Å; T334-Q338 WeakPolarHBondContact O-CG 3.24Å; T334-Q338 PolarHBondContact O-N 3.23Å; T334-Q338 PolarHBondContact O-NE2 3.07Å; T335-Q338 WeakPolarHBondContact O-CB 3.3Å; T335-Q338 PolarHBondContact O-N 2.88Å; T335-Q338 VanDerWaalsContact O-N 3.16Å; D336-Q338 VanDerWaalsContact C-N 3.29Å; D336-Q338 PolarHBondContact O-N 3.47Å; Q338-A341 PolarHBondContact O-N 3.49Å; Q338-V342 VanDerWaalsContact O-CG2 3.3Å; Q338-V342 WeakPolarHBondContact O-CG2 3.48Å; Q338-V342 PolarHBondContact O-N 2.75Å; Q338-F371 HydrophobicContact CB-CE2 4.18Å; Q338-F371 HydrophobicContact CB-CZ 4.44Å; Q338-F371 HydrophobicContact CG-CE2 3.89Å; Q338-Y375 HydrophobicContact CG-CE1 4.46Å; Q338-F379 HydrophobicContact CB-CE2 3.95Å; Q338-F379 HydrophobicContact CB-CZ 4.03Å; Q338-F379 HydrophobicContact CG-CE2 4.44Å
339L96.1Very high95Very high72 Ų7264.9 Ų64.938%0.37733%0.332SS..Hα-helixtrans-65.5-43.4174.8-68.4173.6000111.6T335 D336 V342 Q343T335-L339 HydrophobicContact CG2-CD1 4.38Å; T335-L339 WeakPolarHBondContact O-CG 3.34Å; T335-L339 PolarHBondContact O-N 3.31Å; D336-L339 PolarHBondContact O-N 2.88Å; L339-V342 PolarHBondContact O-N 3.35Å; L339-Q343 WeakPolarHBondContact O-CB 3.4Å; L339-Q343 PolarHBondContact O-N 2.95Å
340L96.4Very high94.9Very high77 Ų7760.7 Ų60.740%0.40331%0.307SS..Iπ-helixtrans-58.6-47.4171.8-75.2171.1000111.2D336 V342 A344 G345 I360D336-L340 WeakPolarHBondContact O-CB 3.29Å; D336-L340 WeakPolarHBondContact O-CG 3.35Å; D336-L340 PolarHBondContact O-N 3.34Å; L340-V342 VanDerWaalsContact C-N 3.28Å; L340-V342 PolarHBondContact O-N 3.32Å; L340-A344 HydrophobicContact CD2-CB 4.08Å; L340-A344 CarbonylContact O-C 3.52Å; L340-A344 WeakPolarHBondContact O-CA 3.3Å; L340-A344 WeakPolarHBondContact O-CB 3.49Å; L340-A344 PolarHBondContact O-N 3.31Å; L340-G345 PolarHBondContact O-N 3.02Å; L340-I360 HydrophobicContact CB-CG1 4.49Å
341A96.4Very high95Very high0 Ų062 Ų620%031%0.309CS..Iπ-helixtrans-58.4-38.2178.500000112.9W333 E337 Q338 G345 V346 I360 F371W333-A341 HydrophobicContact CH2-CB 4.39Å; W333-A341 HydrophobicContact CZ3-CB 3.93Å; E337-A341 VanDerWaalsContact O-CB 3.24Å; E337-A341 WeakPolarHBondContact O-CB 3.41Å; E337-A341 PolarHBondContact O-N 3.11Å; Q338-A341 PolarHBondContact O-N 3.49Å; A341-G345 CarbonylContact O-C 3.57Å; A341-G345 VanDerWaalsContact O-CA 3.27Å; A341-G345 WeakPolarHBondContact O-CA 3.47Å; A341-V346 WeakPolarHBondContact O-CG2 3.49Å; A341-V346 PolarHBondContact O-N 3.16Å; A341-I360 HydrophobicContact CB-CD1 3.75Å; A341-I360 HydrophobicContact CB-CG1 4.47Å; A341-F371 HydrophobicContact CB-CD1 4.05Å; A341-F371 HydrophobicContact CB-CE1 3.62Å; A341-F371 HydrophobicContact CB-CZ 3.96Å
342V95.9Very high95.1Very high17 Ų1762.4 Ų62.410%0.10330%0.301CS..Iπ-helixtrans-79.3-57.9179178.20000112Q338 L339 L340 V346 R347 F371 F379 L381 V384Q338-V342 VanDerWaalsContact O-CG2 3.3Å; Q338-V342 WeakPolarHBondContact O-CG2 3.48Å; Q338-V342 PolarHBondContact O-N 2.75Å; L339-V342 PolarHBondContact O-N 3.35Å; L340-V342 VanDerWaalsContact C-N 3.28Å; L340-V342 PolarHBondContact O-N 3.32Å; V342-V346 PolarHBondContact O-N 3.32Å; V342-R347 WeakPolarHBondContact O-CB 3.26Å; V342-R347 PolarHBondContact O-N 3.44Å; V342-F371 HydrophobicContact CG2-CE1 4.13Å; V342-F371 HydrophobicContact CG2-CZ 3.93Å; V342-F379 HydrophobicContact CG1-CB 4.47Å; V342-F379 HydrophobicContact CG2-CB 3.79Å; V342-F379 HydrophobicContact CG2-CD2 3.63Å; V342-F379 HydrophobicContact CG2-CE2 4.32Å; V342-F379 HydrophobicContact CG2-CG 3.78Å; V342-L381 HydrophobicContact CG1-CD2 4.48Å; V342-L381 HydrophobicContact CG2-CD2 3.98Å; V342-V384 HydrophobicContact CG1-CG1 4.42Å; V342-V384 HydrophobicContact CG1-CG2 4.41Å
343Q91.2Very high95.1Very high132 Ų13255.9 Ų55.962%0.61728%0.277SS*.Iπ-helixtrans-85.7-43.9-165.5-61.3178-15.500112.9L339L339-Q343 WeakPolarHBondContact O-CB 3.4Å; L339-Q343 PolarHBondContact O-N 2.95Å
344A90.1Very high95.1Very high33 Ų3358.4 Ų58.427%0.27329%0.291SS..Iπ-helixtrans-87.4-26.5175.800000111.9L340 Y349 V359L340-A344 HydrophobicContact CD2-CB 4.08Å; L340-A344 CarbonylContact O-C 3.52Å; L340-A344 WeakPolarHBondContact O-CA 3.3Å; L340-A344 WeakPolarHBondContact O-CB 3.49Å; L340-A344 PolarHBondContact O-N 3.31Å; A344-Y349 VanDerWaalsContact O-CD2 3.25Å; A344-Y349 WeakPolarHBondContact O-CD2 3.31Å; A344-Y349 WeakPolarHBondContact O-CE2 3.38Å; A344-V359 HydrophobicContact CB-CG1 3.81Å
345G93.4Very high95.1Very high0 Ų056.6 Ų56.60%028%0.282CS..Iπ-helixtrans-88-94.6178.600000113.2L340 A341 R347 K348 Y349L340-G345 PolarHBondContact O-N 3.02Å; A341-G345 CarbonylContact O-C 3.57Å; A341-G345 VanDerWaalsContact O-CA 3.27Å; A341-G345 WeakPolarHBondContact O-CA 3.47Å; G345-R347 VanDerWaalsContact C-N 3.29Å; G345-R347 PolarHBondContact O-N 3.35Å; G345-K348 PolarHBondContact O-N 2.91Å; G345-Y349 PolarHBondContact O-N 3.49Å
346V93.6Very high95.1Very high0 Ų052 Ų520%025%0.253CS..Iπ-helixtrans-50.8-47.4-171.3-171.30000111.9A341 V342 K348 G350 I356 F372 L381 V384 L385A341-V346 WeakPolarHBondContact O-CG2 3.49Å; A341-V346 PolarHBondContact O-N 3.16Å; V342-V346 PolarHBondContact O-N 3.32Å; V346-K348 PolarHBondContact O-N 2.99Å; V346-K348 VanDerWaalsContact O-N 3.13Å; V346-G350 VanDerWaalsContact O-CA 3.24Å; V346-G350 WeakPolarHBondContact O-CA 3.45Å; V346-G350 PolarHBondContact O-N 3.02Å; V346-I356 HydrophobicContact CG2-CD1 4.45Å; V346-F372 HydrophobicContact CB-CZ 4.03Å; V346-F372 HydrophobicContact CG1-CE1 3.84Å; V346-F372 HydrophobicContact CG1-CZ 3.8Å; V346-F372 HydrophobicContact CG2-CE1 3.89Å; V346-F372 HydrophobicContact CG2-CE2 3.64Å; V346-F372 HydrophobicContact CG2-CZ 3.25Å; V346-L381 HydrophobicContact CG2-CD2 4.29Å; V346-V384 HydrophobicContact CB-CG1 4.03Å; V346-V384 HydrophobicContact CG1-CB 4.5Å; V346-V384 HydrophobicContact CG1-CG1 3.9Å; V346-L385 HydrophobicContact CG1-CD2 3.68Å; V346-L385 HydrophobicContact CG1-CG 3.78Å
347R94.5Very high95.1Very high61 Ų6146.8 Ų46.823%0.2323%0.226CC..Hα-helixtrans-67.9-14.3-174.4-170.850.2-178.678.6-5.6114.8V342 G345 V384 E387 E391V342-R347 WeakPolarHBondContact O-CB 3.26Å; V342-R347 PolarHBondContact O-N 3.44Å; G345-R347 VanDerWaalsContact C-N 3.29Å; G345-R347 PolarHBondContact O-N 3.35Å; R347-V384 HydrophobicContact CB-CG1 3.74Å; R347-V384 HydrophobicContact CG-CG1 4.33Å; R347-E387 IonicContact CZ-OE2 2.68Å; R347-E387 IonicContact NE-OE2 3.21Å; R347-E387 PolarHBondContact NE-OE2 3.03Å; R347-E387 IonicContact NH2-OE2 3.87Å; R347-E387 PolarHBondContact NH2-OE2 3.26Å; R347-E391 IonicContact CZ-OE1 2.68Å; R347-E391 IonicContact CZ-OE2 3.32Å; R347-E391 IonicContact NH1-OE1 2.71Å; R347-E391 PolarHBondContact NH1-OE1 2.95Å; R347-E391 IonicContact NH1-OE2 2.81Å; R347-E391 PolarHBondContact NH1-OE2 3.44Å; R347-E391 IonicContact NH2-OE1 3.19Å; R347-E391 PolarHBondContact NH2-OE1 3.24Å; R347-E391 IonicContact NH2-OE2 2.63Å
348K93Very high95Very high124 Ų12450.6 Ų50.654%0.53925%0.247SC..Hα-helixtrans-115.3-31.2-179.4-176.1178.7174.3-1600113.4G345 V346 W388G345-K348 PolarHBondContact O-N 2.91Å; V346-K348 PolarHBondContact O-N 2.99Å; V346-K348 VanDerWaalsContact O-N 3.13Å; K348-W388 VanDerWaalsContact C-CD1 3.48Å; K348-W388 PolarHBondContact O-NE1 3.12Å
349Y94.9Very high94.9Very high67 Ų6751.7 Ų51.726%0.26326%0.256SS..Hα-helixtrans-118.71.5-173.9-59.9-79.7000113.7A344 G345 K351 N352 A355 V359A344-Y349 VanDerWaalsContact O-CD2 3.25Å; A344-Y349 WeakPolarHBondContact O-CD2 3.31Å; A344-Y349 WeakPolarHBondContact O-CE2 3.38Å; G345-Y349 PolarHBondContact O-N 3.49Å; Y349-K351 PolarHBondContact O-N 3.1Å; Y349-N352 VanDerWaalsContact O-CB 3.29Å; Y349-N352 WeakPolarHBondContact O-CB 3.49Å; Y349-N352 PolarHBondContact O-N 3.4Å; Y349-A355 HydrophobicContact CD1-CB 3.61Å; Y349-A355 HydrophobicContact CE1-CB 4.04Å; Y349-A355 HydrophobicContact CG-CB 3.88Å; Y349-V359 HydrophobicContact CE2-CG2 3.81Å
350G94.1Very high94.8Very high0 Ų048.8 Ų48.80%024%0.24CC..THydrogen-bonded Turntrans58.9-116.2175.700000112.5V346 I356 F372 W388V346-G350 VanDerWaalsContact O-CA 3.24Å; V346-G350 WeakPolarHBondContact O-CA 3.45Å; V346-G350 PolarHBondContact O-N 3.02Å; G350-I356 WeakPolarHBondContact O-CD1 3.48Å; G350-F372 WeakPolarHBondContact O-CZ 3.27Å; G350-W388 VanDerWaalsContact CA-CD2 3.44Å
351K95.1Very high94.7Very high100 Ų10046.2 Ų46.244%0.43523%0.232SC..THydrogen-bonded Turntrans-97.310.5178.6-67.8154-174.4156.30113.1Y349 F353 L385 E389Y349-K351 PolarHBondContact O-N 3.1Å; K351-F353 VanDerWaalsContact C-N 3.3Å; K351-F353 HydrophobicContact CB-CZ 4.3Å; K351-F353 WeakPolarHBondContact O-CD2 3.31Å; K351-F353 WeakPolarHBondContact O-CE2 3.38Å; K351-F353 WeakPolarHBondContact O-CG 3.4Å; K351-F353 PolarHBondContact O-N 3.27Å; K351-L385 HydrophobicContact CD-CD2 4.33Å; K351-L385 HydrophobicContact CG-CD1 4.39Å; K351-L385 HydrophobicContact CG-CD2 3.79Å; K351-E389 IonicContact NZ-OE1 3.57Å; K351-E389 PolarHBondContact NZ-OE1 3.43Å
352N96.2Very high94.7Very high83 Ų8347 Ų4744%0.44424%0.237SC..  trans-75.680.7174.4-174.8-10.6000111.2Y349 Q354 A355 I356Y349-N352 VanDerWaalsContact O-CB 3.29Å; Y349-N352 WeakPolarHBondContact O-CB 3.49Å; Y349-N352 PolarHBondContact O-N 3.4Å; N352-Q354 PolarHBondContact O-N 3.46Å; N352-Q354 VanDerWaalsContact O-N 3.1Å; N352-Q354 PolarHBondContact OD1-N 3.05Å; N352-A355 HydrophobicContact CB-CB 4.37Å; N352-A355 PolarHBondContact O-N 3.42Å; N352-A355 PolarHBondContact OD1-N 3.47Å; N352-A355 VanDerWaalsContact OD1-N 3.16Å; N352-I356 VanDerWaalsContact O-CG1 3.3Å; N352-I356 WeakPolarHBondContact O-CG1 3.35Å; N352-I356 PolarHBondContact O-N 3.19Å; N352-I356 VanDerWaalsContact O-N 3.15Å
353F97.2Very high94.7Very high52 Ų5246.7 Ų46.723%0.22823%0.234CC..Hα-helixtrans-61.5-15.9-178.6-51.5-64.2000114.8K351 A357 V365 V368 K369 F372K351-F353 VanDerWaalsContact C-N 3.3Å; K351-F353 HydrophobicContact CB-CZ 4.3Å; K351-F353 WeakPolarHBondContact O-CD2 3.31Å; K351-F353 WeakPolarHBondContact O-CE2 3.38Å; K351-F353 WeakPolarHBondContact O-CG 3.4Å; K351-F353 PolarHBondContact O-N 3.27Å; F353-A357 WeakPolarHBondContact O-CB 3.46Å; F353-A357 PolarHBondContact O-N 3.35Å; F353-V365 HydrophobicContact CB-CG1 3.82Å; F353-V368 HydrophobicContact CB-CG1 4.38Å; F353-V368 HydrophobicContact CD1-CG1 4.02Å; F353-K369 HydrophobicContact CB-CG 4.27Å; F353-K369 HydrophobicContact CD1-CG 4.01Å; F353-K369 HydrophobicContact CD2-CD 4.21Å; F353-K369 HydrophobicContact CD2-CG 3.77Å; F353-K369 HydrophobicContact CE1-CG 4.26Å; F353-K369 HydrophobicContact CE2-CG 4.03Å; F353-K369 HydrophobicContact CG-CG 3.74Å; F353-K369 HydrophobicContact CZ-CG 4.27Å; F353-F372 AromaticContact CD1-CD2 4Å; F353-F372 HydrophobicContact CD1-CD2 4Å; F353-F372 AromaticContact CD1-CE2 3.79Å; F353-F372 HydrophobicContact CD1-CE2 3.79Å; F353-F372 HydrophobicContact CD1-CZ 4.3Å; F353-F372 HydrophobicContact CE1-CD1 4.14Å; F353-F372 AromaticContact CE1-CD2 3.66Å; F353-F372 HydrophobicContact CE1-CD2 3.66Å; F353-F372 HydrophobicContact CE1-CE1 4.15Å; F353-F372 AromaticContact CE1-CE2 3.66Å; F353-F372 HydrophobicContact CE1-CE2 3.66Å; F353-F372 AromaticContact CE1-CG 3.89Å; F353-F372 HydrophobicContact CE1-CG 3.89Å; F353-F372 AromaticContact CE1-CZ 3.89Å; F353-F372 HydrophobicContact CE1-CZ 3.89Å
354Q97.1Very high95Very high100 Ų10043.2 Ų43.247%0.46722%0.222SC..Hα-helixtrans-77.1-57.8173.5-174.963.159.500109.9N352 I356 A357 D358 V365N352-Q354 PolarHBondContact O-N 3.46Å; N352-Q354 VanDerWaalsContact O-N 3.1Å; N352-Q354 PolarHBondContact OD1-N 3.05Å; Q354-I356 PolarHBondContact O-N 3.35Å; Q354-I356 VanDerWaalsContact O-N 3.12Å; Q354-A357 WeakPolarHBondContact O-CA 3.47Å; Q354-A357 VanDerWaalsContact O-CB 3.32Å; Q354-A357 WeakPolarHBondContact O-CB 3.33Å; Q354-A357 PolarHBondContact O-N 2.89Å; Q354-D358 PolarHBondContact NE2-OD1 3.03Å; Q354-D358 PolarHBondContact O-N 2.8Å; Q354-D358 VanDerWaalsContact O-OD2 3.08Å; Q354-V365 HydrophobicContact CB-CG2 4.46Å
355A96.4Very high95.4Very high16 Ų1643.6 Ų43.613%0.13222%0.221CC..Hα-helixtrans-56.2-34.5177.700000112.7Y349 N352 D358 V359Y349-A355 HydrophobicContact CD1-CB 3.61Å; Y349-A355 HydrophobicContact CE1-CB 4.04Å; Y349-A355 HydrophobicContact CG-CB 3.88Å; N352-A355 HydrophobicContact CB-CB 4.37Å; N352-A355 PolarHBondContact O-N 3.42Å; N352-A355 PolarHBondContact OD1-N 3.47Å; N352-A355 VanDerWaalsContact OD1-N 3.16Å; A355-D358 PolarHBondContact O-N 3.12Å; A355-V359 WeakPolarHBondContact O-CB 3.19Å; A355-V359 WeakPolarHBondContact O-CG2 3.38Å; A355-V359 PolarHBondContact O-N 2.83Å
356I96.1Very high95.6Very high0 Ų045.2 Ų45.20%024%0.237CC..Hα-helixtrans-68.4-39.9174.3-60.7170.3000111.6V346 G350 N352 Q354 I360 V368 F372V346-I356 HydrophobicContact CG2-CD1 4.45Å; G350-I356 WeakPolarHBondContact O-CD1 3.48Å; N352-I356 VanDerWaalsContact O-CG1 3.3Å; N352-I356 WeakPolarHBondContact O-CG1 3.35Å; N352-I356 PolarHBondContact O-N 3.19Å; N352-I356 VanDerWaalsContact O-N 3.15Å; Q354-I356 PolarHBondContact O-N 3.35Å; Q354-I356 VanDerWaalsContact O-N 3.12Å; I356-I360 HydrophobicContact CG2-CD1 3.95Å; I356-I360 VanDerWaalsContact O-CD1 3.23Å; I356-I360 WeakPolarHBondContact O-CD1 3.22Å; I356-I360 VanDerWaalsContact O-CG1 3.23Å; I356-I360 WeakPolarHBondContact O-CG1 3.48Å; I356-I360 PolarHBondContact O-N 3.08Å; I356-V368 HydrophobicContact CB-CG1 4.01Å; I356-V368 HydrophobicContact CG2-CG1 3.55Å; I356-V368 HydrophobicContact CG2-CG2 4.29Å; I356-F372 HydrophobicContact CD1-CE2 3.87Å; I356-F372 HydrophobicContact CD1-CZ 3.88Å
357A95.9Very high95.7Very high4 Ų447 Ų473%0.03325%0.246CC..Hα-helixtrans-63.6-44.1174.200000111.4F353 Q354 V359 I360 G361 K363 V365 V368F353-A357 WeakPolarHBondContact O-CB 3.46Å; F353-A357 PolarHBondContact O-N 3.35Å; Q354-A357 WeakPolarHBondContact O-CA 3.47Å; Q354-A357 VanDerWaalsContact O-CB 3.32Å; Q354-A357 WeakPolarHBondContact O-CB 3.33Å; Q354-A357 PolarHBondContact O-N 2.89Å; A357-V359 PolarHBondContact O-N 2.9Å; A357-I360 PolarHBondContact O-N 3.29Å; A357-G361 PolarHBondContact O-N 2.88Å; A357-K363 WeakPolarHBondContact CB-O 3.38Å; A357-V365 HydrophobicContact CB-CG2 4.33Å; A357-V368 HydrophobicContact CB-CG2 3.97Å
358D94.6Very high95.9Very high95 Ų9544.1 Ų44.151%0.50824%0.235SC..Hα-helixtrans-64-40.6-179.8-53.1-31.7000111.7Q354 A355 I360 G361Q354-D358 PolarHBondContact NE2-OD1 3.03Å; Q354-D358 PolarHBondContact O-N 2.8Å; Q354-D358 VanDerWaalsContact O-OD2 3.08Å; A355-D358 PolarHBondContact O-N 3.12Å; D358-I360 VanDerWaalsContact C-N 3.32Å; D358-I360 PolarHBondContact O-N 2.88Å; D358-G361 PolarHBondContact O-N 2.93Å
359V94.4Very high96.1Very high53 Ų5343.3 Ų43.332%0.32123%0.231SC..Hα-helixtrans-64.9-31.3175.3163.90000112.9A344 Y349 A355 A357A344-V359 HydrophobicContact CB-CG1 3.81Å; Y349-V359 HydrophobicContact CE2-CG2 3.81Å; A355-V359 WeakPolarHBondContact O-CB 3.19Å; A355-V359 WeakPolarHBondContact O-CG2 3.38Å; A355-V359 PolarHBondContact O-N 2.83Å; A357-V359 PolarHBondContact O-N 2.9Å
360I95.1Very high96.2Very high10 Ų1044.9 Ų44.95%0.05124%0.244CC..Hα-helixtrans-84.5-23.5174.9-55.7156.7000110.9W333 E337 L340 A341 I356 A357 D358 N362 K363 V368W333-I360 HydrophobicContact CH2-CD1 3.91Å; W333-I360 HydrophobicContact CZ3-CD1 3.94Å; E337-I360 HydrophobicContact CB-CG2 4.23Å; E337-I360 HydrophobicContact CG-CG2 4.07Å; L340-I360 HydrophobicContact CB-CG1 4.49Å; A341-I360 HydrophobicContact CB-CD1 3.75Å; A341-I360 HydrophobicContact CB-CG1 4.47Å; I356-I360 HydrophobicContact CG2-CD1 3.95Å; I356-I360 VanDerWaalsContact O-CD1 3.23Å; I356-I360 WeakPolarHBondContact O-CD1 3.22Å; I356-I360 VanDerWaalsContact O-CG1 3.23Å; I356-I360 WeakPolarHBondContact O-CG1 3.48Å; I356-I360 PolarHBondContact O-N 3.08Å; A357-I360 PolarHBondContact O-N 3.29Å; D358-I360 VanDerWaalsContact C-N 3.32Å; D358-I360 PolarHBondContact O-N 2.88Å; I360-N362 PolarHBondContact O-N 3.3Å; I360-K363 HydrophobicContact CB-CB 4.46Å; I360-K363 HydrophobicContact CB-CG 4.25Å; I360-K363 HydrophobicContact CD1-CB 4.48Å; I360-K363 HydrophobicContact CD1-CG 4.37Å; I360-K363 HydrophobicContact CG2-CB 4.24Å; I360-K363 HydrophobicContact CG2-CG 3.53Å; I360-V368 HydrophobicContact CD1-CG2 4.18Å
361G94.1Very high96.3Very high23 Ų2345 Ų4524%0.23725%0.245CC..SBendtrans71.1-23.7174.200000116.2A357 D358A357-G361 PolarHBondContact O-N 2.88Å; D358-G361 PolarHBondContact O-N 2.93Å
362N95.8Very high96.3Very high17 Ų1741.4 Ų41.49%0.09123%0.229CC..SBendtrans-125.313.5-175.375.923.6000114.7Q327 V329 N330 E337 I360Q327-N362 HydrophobicContact CB-CB 4.03Å; V329-N362 CarbonylContact C-O 3.57Å; V329-N362 VanDerWaalsContact CA-O 3.31Å; V329-N362 WeakPolarHBondContact CA-O 3.44Å; N330-N362 PolarHBondContact N-O 3.2Å; E337-N362 PolarHBondContact OE1-ND2 3.03Å; E337-N362 PolarHBondContact OE1-OD1 3.44Å; I360-N362 PolarHBondContact O-N 3.3Å
363K96.7Very high96.3Very high10 Ų1042.8 Ų42.84%0.04324%0.24CC..  trans-118.1145.1178.1-63.1-68.5179.9-84.40110.4N330 R332 W333 E337 A357 I360 Q367 V368N330-K363 WeakPolarHBondContact O-CD 3.46Å; N330-K363 VanDerWaalsContact O-CE 3.29Å; N330-K363 WeakPolarHBondContact O-CE 3.38Å; N330-K363 PolarHBondContact O-NZ 3.27Å; R332-K363 WeakPolarHBondContact O-CE 3.38Å; R332-K363 PolarHBondContact O-NZ 2.92Å; W333-K363 HydrophobicContact CD2-CD 4.2Å; W333-K363 VanDerWaalsContact CD2-CE 3.49Å; W333-K363 HydrophobicContact CE3-CD 4.37Å; W333-K363 HydrophobicContact CH2-CB 4.29Å; W333-K363 HydrophobicContact CH2-CD 3.9Å; W333-K363 HydrophobicContact CH2-CG 3.67Å; W333-K363 HydrophobicContact CZ2-CD 3.68Å; W333-K363 HydrophobicContact CZ2-CG 3.95Å; W333-K363 HydrophobicContact CZ3-CD 4.22Å; W333-K363 HydrophobicContact CZ3-CG 3.99Å; E337-K363 IonicContact OE1-NZ 3.42Å; E337-K363 PolarHBondContact OE1-NZ 3.27Å; E337-K363 VanDerWaalsContact OE1-NZ 3.12Å; E337-K363 WeakPolarHBondContact OE2-CE 3.47Å; E337-K363 IonicContact OE2-NZ 3.58Å; E337-K363 PolarHBondContact OE2-NZ 3.4Å; A357-K363 WeakPolarHBondContact CB-O 3.38Å; I360-K363 HydrophobicContact CB-CB 4.46Å; I360-K363 HydrophobicContact CB-CG 4.25Å; I360-K363 HydrophobicContact CD1-CB 4.48Å; I360-K363 HydrophobicContact CD1-CG 4.37Å; I360-K363 HydrophobicContact CG2-CB 4.24Å; I360-K363 HydrophobicContact CG2-CG 3.53Å; K363-Q367 HydrophobicContact CB-CB 4.47Å; K363-Q367 HydrophobicContact CD-CB 4.42Å; K363-V368 HydrophobicContact CB-CG2 4.21Å
364T96.8Very high96.2Very high59 Ų5945 Ų4536%0.36225%0.254SS..  trans-85.3157.3171.771.60000111.5V329 G366 Q367 V368V329-T364 HydrophobicContact CG1-CG2 3.71Å; V329-T364 HydrophobicContact CG2-CG2 4.05Å; T364-G366 PolarHBondContact O-N 3.47Å; T364-G366 VanDerWaalsContact O-N 3.11Å; T364-G366 PolarHBondContact OG1-N 3Å; T364-Q367 WeakPolarHBondContact O-CA 3.17Å; T364-Q367 WeakPolarHBondContact O-CB 3.41Å; T364-Q367 PolarHBondContact O-N 2.81Å; T364-Q367 PolarHBondContact OG1-N 3.23Å; T364-V368 PolarHBondContact O-N 3.12Å
365V97.4Very high96.1Very high41 Ų4141.8 Ų41.825%0.24824%0.238CC..Hα-helixtrans-48.7-38170-179.60000112.2F353 Q354 A357 V368 K369F353-V365 HydrophobicContact CB-CG1 3.82Å; Q354-V365 HydrophobicContact CB-CG2 4.46Å; A357-V365 HydrophobicContact CB-CG2 4.33Å; V365-V368 PolarHBondContact O-N 3.35Å; V365-K369 HydrophobicContact CG1-CD 4.38Å; V365-K369 WeakPolarHBondContact O-CG 3.4Å; V365-K369 PolarHBondContact O-N 2.94Å
366G97.7Very high95.9Very high34 Ų3446.5 Ų46.535%0.35125%0.253SS..Hα-helixtrans-67.3-39.4175.700000113.2T364 N370T364-G366 PolarHBondContact O-N 3.47Å; T364-G366 VanDerWaalsContact O-N 3.11Å; T364-G366 PolarHBondContact OG1-N 3Å; G366-N370 PolarHBondContact O-N 3.16Å; G366-N370 PolarHBondContact O-ND2 3.38Å
367Q97.3Very high95.9Very high38 Ų3857.9 Ų57.918%0.17830%0.296CS..Hα-helixtrans-68.1-39174.4-71165-19.200111.6W333 K363 T364 N370 F371W333-Q367 HydrophobicContact CZ2-CB 4.39Å; K363-Q367 HydrophobicContact CB-CB 4.47Å; K363-Q367 HydrophobicContact CD-CB 4.42Å; T364-Q367 WeakPolarHBondContact O-CA 3.17Å; T364-Q367 WeakPolarHBondContact O-CB 3.41Å; T364-Q367 PolarHBondContact O-N 2.81Å; T364-Q367 PolarHBondContact OG1-N 3.23Å; Q367-N370 PolarHBondContact O-N 3.08Å; Q367-F371 PolarHBondContact O-N 3.45Å
368V97.6Very high95.8Very high0 Ų064.8 Ų64.80%032%0.321CS..Hα-helixtrans-64.5-45.7174.7179.70000111.1W333 F353 I356 A357 I360 K363 T364 V365 N370 F371 F372W333-V368 HydrophobicContact CH2-CG2 4.49Å; F353-V368 HydrophobicContact CB-CG1 4.38Å; F353-V368 HydrophobicContact CD1-CG1 4.02Å; I356-V368 HydrophobicContact CB-CG1 4.01Å; I356-V368 HydrophobicContact CG2-CG1 3.55Å; I356-V368 HydrophobicContact CG2-CG2 4.29Å; A357-V368 HydrophobicContact CB-CG2 3.97Å; I360-V368 HydrophobicContact CD1-CG2 4.18Å; K363-V368 HydrophobicContact CB-CG2 4.21Å; T364-V368 PolarHBondContact O-N 3.12Å; V365-V368 PolarHBondContact O-N 3.35Å; V368-N370 VanDerWaalsContact C-N 3.28Å; V368-N370 PolarHBondContact O-N 2.86Å; V368-F371 WeakPolarHBondContact O-CA 3.29Å; V368-F371 WeakPolarHBondContact O-CB 3.37Å; V368-F371 PolarHBondContact O-N 2.98Å; V368-F372 HydrophobicContact CG1-CD2 4.12Å; V368-F372 HydrophobicContact CG1-CE2 3.98Å; V368-F372 WeakPolarHBondContact O-CD2 3.49Å; V368-F372 PolarHBondContact O-N 2.96Å
369K97.1Very high95.8Very high107 Ų10763.3 Ų63.347%0.46531%0.31SS..Hα-helixtrans-56.9-42173.6-75.2175.2178.3-178.30112.2F353 V365 F372 V373F353-K369 HydrophobicContact CB-CG 4.27Å; F353-K369 HydrophobicContact CD1-CG 4.01Å; F353-K369 HydrophobicContact CD2-CD 4.21Å; F353-K369 HydrophobicContact CD2-CG 3.77Å; F353-K369 HydrophobicContact CE1-CG 4.26Å; F353-K369 HydrophobicContact CE2-CG 4.03Å; F353-K369 HydrophobicContact CG-CG 3.74Å; F353-K369 HydrophobicContact CZ-CG 4.27Å; V365-K369 HydrophobicContact CG1-CD 4.38Å; V365-K369 WeakPolarHBondContact O-CG 3.4Å; V365-K369 PolarHBondContact O-N 2.94Å; K369-F372 PolarHBondContact O-N 3.44Å; K369-V373 PolarHBondContact O-N 2.92Å
370N97.1Very high95.8Very high100 Ų10065 Ų6554%0.53532%0.317SS..Hα-helixtrans-66.5-34.5174.3-82.5-73.9000112.9G366 Q367 V368 V373 N374G366-N370 PolarHBondContact O-N 3.16Å; G366-N370 PolarHBondContact O-ND2 3.38Å; Q367-N370 PolarHBondContact O-N 3.08Å; V368-N370 VanDerWaalsContact C-N 3.28Å; V368-N370 PolarHBondContact O-N 2.86Å; N370-V373 PolarHBondContact O-N 3.42Å; N370-N374 WeakPolarHBondContact O-CB 3.29Å; N370-N374 PolarHBondContact O-N 3.05Å; N370-N374 PolarHBondContact O-ND2 2.82Å
371F96.9Very high95.8Very high3 Ų364.5 Ų64.51%0.01332%0.315CS..Hα-helixtrans-61.1-47.4174173.4-97.8000111.4W333 Q338 A341 V342 Q367 V368 V373 N374 Y375 F379 L381W333-F371 HydrophobicContact CD2-CD2 4.15Å; W333-F371 HydrophobicContact CE3-CD2 4.18Å; W333-F371 HydrophobicContact CH2-CB 3.94Å; W333-F371 HydrophobicContact CH2-CD2 4.25Å; W333-F371 HydrophobicContact CH2-CG 4.04Å; W333-F371 HydrophobicContact CZ2-CB 3.59Å; W333-F371 HydrophobicContact CZ2-CD2 4.24Å; W333-F371 HydrophobicContact CZ2-CG 4.09Å; W333-F371 HydrophobicContact CZ3-CD2 4.23Å; W333-F371 HydrophobicContact CZ3-CG 4.4Å; Q338-F371 HydrophobicContact CB-CE2 4.18Å; Q338-F371 HydrophobicContact CB-CZ 4.44Å; Q338-F371 HydrophobicContact CG-CE2 3.89Å; A341-F371 HydrophobicContact CB-CD1 4.05Å; A341-F371 HydrophobicContact CB-CE1 3.62Å; A341-F371 HydrophobicContact CB-CZ 3.96Å; V342-F371 HydrophobicContact CG2-CE1 4.13Å; V342-F371 HydrophobicContact CG2-CZ 3.93Å; Q367-F371 PolarHBondContact O-N 3.45Å; V368-F371 WeakPolarHBondContact O-CA 3.29Å; V368-F371 WeakPolarHBondContact O-CB 3.37Å; V368-F371 PolarHBondContact O-N 2.98Å; F371-V373 VanDerWaalsContact C-N 3.28Å; F371-V373 PolarHBondContact O-N 3.45Å; F371-N374 PolarHBondContact O-N 3.37Å; F371-Y375 HydrophobicContact CD2-CD1 4.35Å; F371-Y375 AromaticContact CD2-CD2 3.26Å; F371-Y375 HydrophobicContact CD2-CD2 3.26Å; F371-Y375 AromaticContact CD2-CE2 3.58Å; F371-Y375 HydrophobicContact CD2-CE2 3.58Å; F371-Y375 AromaticContact CD2-CG 3.68Å; F371-Y375 HydrophobicContact CD2-CG 3.68Å; F371-Y375 AromaticContact CE2-CD1 3.76Å; F371-Y375 HydrophobicContact CE2-CD1 3.76Å; F371-Y375 AromaticContact CE2-CD2 3.53Å; F371-Y375 HydrophobicContact CE2-CD2 3.53Å; F371-Y375 HydrophobicContact CE2-CE1 4.1Å; F371-Y375 AromaticContact CE2-CE2 3.92Å; F371-Y375 HydrophobicContact CE2-CE2 3.92Å; F371-Y375 AromaticContact CE2-CG 3.43Å; F371-Y375 HydrophobicContact CE2-CG 3.43Å; F371-Y375 VanDerWaalsContact CE2-CG 3.43Å; F371-Y375 HydrophobicContact CG-CD2 4.08Å; F371-Y375 HydrophobicContact CZ-CD1 4.49Å; F371-Y375 HydrophobicContact CZ-CG 4.14Å; F371-Y375 WeakPolarHBondContact O-CB 3.45Å; F371-Y375 WeakPolarHBondContact O-CD2 3.45Å; F371-Y375 PolarHBondContact O-N 3.15Å; F371-F379 HydrophobicContact CE2-CD2 4.2Å; F371-F379 AromaticContact CE2-CE2 3.89Å; F371-F379 HydrophobicContact CE2-CE2 3.89Å; F371-F379 AromaticContact CZ-CD2 3.68Å; F371-F379 HydrophobicContact CZ-CD2 3.68Å; F371-F379 AromaticContact CZ-CE2 3.74Å; F371-F379 HydrophobicContact CZ-CE2 3.74Å; F371-L381 HydrophobicContact CE1-CD1 4.41Å
372F96Very high95.8Very high24 Ų2467.9 Ų67.911%0.10532%0.324CS..Hα-helixtrans-53.4-43.1176.7-90.8-106.6000112.8V346 G350 F353 I356 V368 K369 R376 L381 L385V346-F372 HydrophobicContact CB-CZ 4.03Å; V346-F372 HydrophobicContact CG1-CE1 3.84Å; V346-F372 HydrophobicContact CG1-CZ 3.8Å; V346-F372 HydrophobicContact CG2-CE1 3.89Å; V346-F372 HydrophobicContact CG2-CE2 3.64Å; V346-F372 HydrophobicContact CG2-CZ 3.25Å; G350-F372 WeakPolarHBondContact O-CZ 3.27Å; F353-F372 AromaticContact CD1-CD2 4Å; F353-F372 HydrophobicContact CD1-CD2 4Å; F353-F372 AromaticContact CD1-CE2 3.79Å; F353-F372 HydrophobicContact CD1-CE2 3.79Å; F353-F372 HydrophobicContact CD1-CZ 4.3Å; F353-F372 HydrophobicContact CE1-CD1 4.14Å; F353-F372 AromaticContact CE1-CD2 3.66Å; F353-F372 HydrophobicContact CE1-CD2 3.66Å; F353-F372 HydrophobicContact CE1-CE1 4.15Å; F353-F372 AromaticContact CE1-CE2 3.66Å; F353-F372 HydrophobicContact CE1-CE2 3.66Å; F353-F372 AromaticContact CE1-CG 3.89Å; F353-F372 HydrophobicContact CE1-CG 3.89Å; F353-F372 AromaticContact CE1-CZ 3.89Å; F353-F372 HydrophobicContact CE1-CZ 3.89Å; I356-F372 HydrophobicContact CD1-CE2 3.87Å; I356-F372 HydrophobicContact CD1-CZ 3.88Å; V368-F372 HydrophobicContact CG1-CD2 4.12Å; V368-F372 HydrophobicContact CG1-CE2 3.98Å; V368-F372 WeakPolarHBondContact O-CD2 3.49Å; V368-F372 PolarHBondContact O-N 2.96Å; K369-F372 PolarHBondContact O-N 3.44Å; F372-R376 WeakPolarHBondContact O-CA 3.4Å; F372-R376 WeakPolarHBondContact O-CB 3.45Å; F372-R376 PolarHBondContact O-N 3.41Å; F372-R376 VanDerWaalsContact O-N 3.15Å; F372-L381 HydrophobicContact CD1-CD1 4.35Å; F372-L381 HydrophobicContact CG-CD1 4.38Å; F372-L385 HydrophobicContact CE1-CD1 4.12Å; F372-L385 HydrophobicContact CE1-CD2 4.32Å; F372-L385 HydrophobicContact CE1-CG 4.44Å
373V95.6Very high95.8Very high112 Ų11272 Ų7268%0.67934%0.343SS*.Hα-helixtrans-69.8-52.6177.3-179.20000111.3K369 N370 F371 Y375K369-V373 PolarHBondContact O-N 2.92Å; N370-V373 PolarHBondContact O-N 3.42Å; F371-V373 VanDerWaalsContact C-N 3.28Å; F371-V373 PolarHBondContact O-N 3.45Å; V373-Y375 VanDerWaalsContact C-N 3.26Å; V373-Y375 PolarHBondContact O-N 2.89Å
374N95.4Very high95.7Very high98 Ų9872.5 Ų72.552%0.52435%0.347SS..Hα-helixtrans-71.8-15.5-172.8-73.4-70000114.4N370 F371 R378N370-N374 WeakPolarHBondContact O-CB 3.29Å; N370-N374 PolarHBondContact O-N 3.05Å; N370-N374 PolarHBondContact O-ND2 2.82Å; F371-N374 PolarHBondContact O-N 3.37Å; N374-R378 PolarHBondContact O-NE 3.18Å; N374-R378 PolarHBondContact O-NH2 3.05Å
375Y94.4Very high95.5Very high33 Ų3370 Ų7013%0.12933%0.331CS..Hα-helixtrans-120.80.7-177.5-68.4-101.3000114.1Q338 F371 V373 R377 R378 F379Q338-Y375 HydrophobicContact CG-CE1 4.46Å; F371-Y375 HydrophobicContact CD2-CD1 4.35Å; F371-Y375 AromaticContact CD2-CD2 3.26Å; F371-Y375 HydrophobicContact CD2-CD2 3.26Å; F371-Y375 AromaticContact CD2-CE2 3.58Å; F371-Y375 HydrophobicContact CD2-CE2 3.58Å; F371-Y375 AromaticContact CD2-CG 3.68Å; F371-Y375 HydrophobicContact CD2-CG 3.68Å; F371-Y375 AromaticContact CE2-CD1 3.76Å; F371-Y375 HydrophobicContact CE2-CD1 3.76Å; F371-Y375 AromaticContact CE2-CD2 3.53Å; F371-Y375 HydrophobicContact CE2-CD2 3.53Å; F371-Y375 HydrophobicContact CE2-CE1 4.1Å; F371-Y375 AromaticContact CE2-CE2 3.92Å; F371-Y375 HydrophobicContact CE2-CE2 3.92Å; F371-Y375 AromaticContact CE2-CG 3.43Å; F371-Y375 HydrophobicContact CE2-CG 3.43Å; F371-Y375 VanDerWaalsContact CE2-CG 3.43Å; F371-Y375 HydrophobicContact CG-CD2 4.08Å; F371-Y375 HydrophobicContact CZ-CD1 4.49Å; F371-Y375 HydrophobicContact CZ-CG 4.14Å; F371-Y375 WeakPolarHBondContact O-CB 3.45Å; F371-Y375 WeakPolarHBondContact O-CD2 3.45Å; F371-Y375 PolarHBondContact O-N 3.15Å; V373-Y375 VanDerWaalsContact C-N 3.26Å; V373-Y375 PolarHBondContact O-N 2.89Å; Y375-R377 VanDerWaalsContact C-N 3.31Å; Y375-R377 PolarHBondContact O-N 3.4Å; Y375-R377 VanDerWaalsContact O-N 3.09Å; Y375-R378 HydrophobicContact CD1-CB 4.49Å; Y375-R378 VanDerWaalsContact CZ-NH2 3.32Å; Y375-R378 PolarHBondContact O-N 3.36Å; Y375-F379 AromaticContact CD1-CD2 3.81Å; Y375-F379 HydrophobicContact CD1-CD2 3.81Å; Y375-F379 AromaticContact CD1-CE2 3.32Å; Y375-F379 HydrophobicContact CD1-CE2 3.32Å; Y375-F379 HydrophobicContact CD1-CZ 4.15Å; Y375-F379 AromaticContact CE1-CE2 3.93Å; Y375-F379 HydrophobicContact CE1-CE2 3.93Å; Y375-F379 HydrophobicContact CE1-CZ 4.47Å; Y375-F379 HydrophobicContact CG-CD2 4.24Å; Y375-F379 HydrophobicContact CG-CE2 4.11Å; Y375-F379 PolarHBondContact O-N 3.21Å
376R93.2Very high95.4Very high116 Ų11674.5 Ų74.544%0.43835%0.35SS..THydrogen-bonded Turntrans-39.7-52.5-179.4-174.9170173.776-4.1114.5F372 L381 E382F372-R376 WeakPolarHBondContact O-CA 3.4Å; F372-R376 WeakPolarHBondContact O-CB 3.45Å; F372-R376 PolarHBondContact O-N 3.41Å; F372-R376 VanDerWaalsContact O-N 3.15Å; R376-L381 PolarHBondContact O-N 2.94Å; R376-E382 IonicContact CZ-OE1 3.55Å; R376-E382 IonicContact CZ-OE2 2.65Å; R376-E382 VanDerWaalsContact NH1-CD 3.32Å; R376-E382 IonicContact NH1-OE1 3.72Å; R376-E382 IonicContact NH1-OE2 3.11Å; R376-E382 PolarHBondContact NH1-OE2 2.94Å; R376-E382 IonicContact NH2-OE1 3.28Å; R376-E382 PolarHBondContact NH2-OE1 2.89Å; R376-E382 IonicContact NH2-OE2 2.65Å; R376-E382 PolarHBondContact NH2-OE2 2.89Å
377R95.4Very high95.1Very high238 Ų23877.3 Ų77.390%0.89835%0.354SS*.THydrogen-bonded Turntrans-86.1-12.2-179.4-63.1-173.7-175.5132.6-2115Y375Y375-R377 VanDerWaalsContact C-N 3.31Å; Y375-R377 PolarHBondContact O-N 3.4Å; Y375-R377 VanDerWaalsContact O-N 3.09Å
378R93Very high95Very high149 Ų14978.1 Ų78.156%0.56236%0.355SS*.THydrogen-bonded Turntrans-91.5-24.4-176-75.9-171.1-75.2160.4-4.3113.4N374 Y375N374-R378 PolarHBondContact O-NE 3.18Å; N374-R378 PolarHBondContact O-NH2 3.05Å; Y375-R378 HydrophobicContact CD1-CB 4.49Å; Y375-R378 VanDerWaalsContact CZ-NH2 3.32Å; Y375-R378 PolarHBondContact O-N 3.36Å
379F94.9Very high94.7Very high64 Ų6482.4 Ų82.428%0.28138%0.375SS..THydrogen-bonded Turntrans-12726.7177-60-50000112.1Q338 V342 F371 Y375 L381Q338-F379 HydrophobicContact CB-CE2 3.95Å; Q338-F379 HydrophobicContact CB-CZ 4.03Å; Q338-F379 HydrophobicContact CG-CE2 4.44Å; V342-F379 HydrophobicContact CG1-CB 4.47Å; V342-F379 HydrophobicContact CG2-CB 3.79Å; V342-F379 HydrophobicContact CG2-CD2 3.63Å; V342-F379 HydrophobicContact CG2-CE2 4.32Å; V342-F379 HydrophobicContact CG2-CG 3.78Å; F371-F379 HydrophobicContact CE2-CD2 4.2Å; F371-F379 AromaticContact CE2-CE2 3.89Å; F371-F379 HydrophobicContact CE2-CE2 3.89Å; F371-F379 AromaticContact CZ-CD2 3.68Å; F371-F379 HydrophobicContact CZ-CD2 3.68Å; F371-F379 AromaticContact CZ-CE2 3.74Å; F371-F379 HydrophobicContact CZ-CE2 3.74Å; Y375-F379 AromaticContact CD1-CD2 3.81Å; Y375-F379 HydrophobicContact CD1-CD2 3.81Å; Y375-F379 AromaticContact CD1-CE2 3.32Å; Y375-F379 HydrophobicContact CD1-CE2 3.32Å; Y375-F379 HydrophobicContact CD1-CZ 4.15Å; Y375-F379 AromaticContact CE1-CE2 3.93Å; Y375-F379 HydrophobicContact CE1-CE2 3.93Å; Y375-F379 HydrophobicContact CE1-CZ 4.47Å; Y375-F379 HydrophobicContact CG-CD2 4.24Å; Y375-F379 HydrophobicContact CG-CE2 4.11Å; Y375-F379 PolarHBondContact O-N 3.21Å; F379-L381 HydrophobicContact CB-CD2 3.8Å; F379-L381 HydrophobicContact CB-CG 4.29Å; F379-L381 PolarHBondContact O-N 3.27Å
380N94.8Very high94.5Very high88 Ų8880.2 Ų80.247%0.47138%0.377SS..THydrogen-bonded Turntrans40.347-178.7-68.327.8000113.9E382 E383 V384N380-E382 PolarHBondContact O-N 2.91Å; N380-E383 HydrophobicContact CB-CB 4.09Å; N380-E383 WeakPolarHBondContact CB-OE2 3.49Å; N380-E383 PolarHBondContact ND2-OE2 3.05Å; N380-E383 WeakPolarHBondContact O-CB 3.47Å; N380-E383 PolarHBondContact O-N 3.27Å; N380-V384 PolarHBondContact O-N 3.42Å; N380-V384 VanDerWaalsContact O-N 3.17Å
381L94.9Very high94Very high1 Ų180.2 Ų80.21%0.00537%0.374CS..Hα-helixtrans-62.5-18.6-165.9-62.9-177000114V342 V346 F371 F372 R376 F379 L385V342-L381 HydrophobicContact CG1-CD2 4.48Å; V342-L381 HydrophobicContact CG2-CD2 3.98Å; V346-L381 HydrophobicContact CG2-CD2 4.29Å; F371-L381 HydrophobicContact CE1-CD1 4.41Å; F372-L381 HydrophobicContact CD1-CD1 4.35Å; F372-L381 HydrophobicContact CG-CD1 4.38Å; R376-L381 PolarHBondContact O-N 2.94Å; F379-L381 HydrophobicContact CB-CD2 3.8Å; F379-L381 HydrophobicContact CB-CG 4.29Å; F379-L381 PolarHBondContact O-N 3.27Å; L381-L385 VanDerWaalsContact O-CB 3.31Å; L381-L385 WeakPolarHBondContact O-CB 3.41Å; L381-L385 WeakPolarHBondContact O-CD1 3.29Å; L381-L385 WeakPolarHBondContact O-CG 3.35Å; L381-L385 PolarHBondContact O-N 3.14Å; L381-L385 VanDerWaalsContact O-N 3.11Å
382E94.3Very high93.3Very high93 Ų9384.6 Ų84.644%0.43539%0.394SS..Hα-helixtrans-73.1-40.1172.6-160.180131.700112.7R376 N380 L385 Q386R376-E382 IonicContact CZ-OE1 3.55Å; R376-E382 IonicContact CZ-OE2 2.65Å; R376-E382 VanDerWaalsContact NH1-CD 3.32Å; R376-E382 IonicContact NH1-OE1 3.72Å; R376-E382 IonicContact NH1-OE2 3.11Å; R376-E382 PolarHBondContact NH1-OE2 2.94Å; R376-E382 IonicContact NH2-OE1 3.28Å; R376-E382 PolarHBondContact NH2-OE1 2.89Å; R376-E382 IonicContact NH2-OE2 2.65Å; R376-E382 PolarHBondContact NH2-OE2 2.89Å; N380-E382 PolarHBondContact O-N 2.91Å; E382-L385 WeakPolarHBondContact O-CB 3.17Å; E382-L385 PolarHBondContact O-N 2.99Å; E382-Q386 WeakPolarHBondContact O-CB 3.36Å; E382-Q386 PolarHBondContact O-N 3.04Å
383E94.9Very high91.7Very high104 Ų10486.8 Ų86.849%0.48642%0.424SS..Hα-helixtrans-66.6-45.5177.2-168.5172.1-165.100109.7N380 L385 Q386 E387N380-E383 HydrophobicContact CB-CB 4.09Å; N380-E383 WeakPolarHBondContact CB-OE2 3.49Å; N380-E383 PolarHBondContact ND2-OE2 3.05Å; N380-E383 WeakPolarHBondContact O-CB 3.47Å; N380-E383 PolarHBondContact O-N 3.27Å; E383-L385 VanDerWaalsContact C-N 3.26Å; E383-L385 PolarHBondContact O-N 3.15Å; E383-Q386 PolarHBondContact O-N 2.92Å; E383-Q386 VanDerWaalsContact O-N 3.12Å; E383-E387 PolarHBondContact O-N 2.89Å
384V94.7Very high90Very high21 Ų2187 Ų8713%0.12743%0.425CS..Hα-helixtrans-60.6-33.6173.9-178.30000112.3V342 V346 R347 N380 W388V342-V384 HydrophobicContact CG1-CG1 4.42Å; V342-V384 HydrophobicContact CG1-CG2 4.41Å; V346-V384 HydrophobicContact CB-CG1 4.03Å; V346-V384 HydrophobicContact CG1-CB 4.5Å; V346-V384 HydrophobicContact CG1-CG1 3.9Å; R347-V384 HydrophobicContact CB-CG1 3.74Å; R347-V384 HydrophobicContact CG-CG1 4.33Å; N380-V384 PolarHBondContact O-N 3.42Å; N380-V384 VanDerWaalsContact O-N 3.17Å; V384-W388 PolarHBondContact O-N 2.96Å
385L94Very high87.9Confident6 Ų689.4 Ų89.43%0.03143%0.433CS..Hα-helixtrans-74.9-41.8173.1-80.6169.4000112.1V346 K351 F372 L381 E382 E383 E387 W388 E389V346-L385 HydrophobicContact CG1-CD2 3.68Å; V346-L385 HydrophobicContact CG1-CG 3.78Å; K351-L385 HydrophobicContact CD-CD2 4.33Å; K351-L385 HydrophobicContact CG-CD1 4.39Å; K351-L385 HydrophobicContact CG-CD2 3.79Å; F372-L385 HydrophobicContact CE1-CD1 4.12Å; F372-L385 HydrophobicContact CE1-CD2 4.32Å; F372-L385 HydrophobicContact CE1-CG 4.44Å; L381-L385 VanDerWaalsContact O-CB 3.31Å; L381-L385 WeakPolarHBondContact O-CB 3.41Å; L381-L385 WeakPolarHBondContact O-CD1 3.29Å; L381-L385 WeakPolarHBondContact O-CG 3.35Å; L381-L385 PolarHBondContact O-N 3.14Å; L381-L385 VanDerWaalsContact O-N 3.11Å; E382-L385 WeakPolarHBondContact O-CB 3.17Å; E382-L385 PolarHBondContact O-N 2.99Å; E383-L385 VanDerWaalsContact C-N 3.26Å; E383-L385 PolarHBondContact O-N 3.15Å; L385-E387 VanDerWaalsContact C-N 3.35Å; L385-W388 WeakPolarHBondContact O-CB 3.11Å; L385-W388 PolarHBondContact O-N 3.25Å; L385-W388 VanDerWaalsContact O-N 3.16Å; L385-E389 WeakPolarHBondContact O-CG 3.46Å; L385-E389 PolarHBondContact O-N 2.89Å
386Q94.2Very high85.2Confident136 Ų13691.5 Ų91.564%0.63646%0.457SS*.Hα-helixtrans-64.9-38.3179.3-171.517512.600111.7E382 E383 E389 A390E382-Q386 WeakPolarHBondContact O-CB 3.36Å; E382-Q386 PolarHBondContact O-N 3.04Å; E383-Q386 PolarHBondContact O-N 2.92Å; E383-Q386 VanDerWaalsContact O-N 3.12Å; Q386-E389 PolarHBondContact O-N 2.93Å; Q386-A390 WeakPolarHBondContact O-CB 3.39Å; Q386-A390 PolarHBondContact O-N 2.88Å
387E92.2Very high82.9Confident92 Ų9292.1 Ų92.143%0.4348%0.476SS..Hα-helixtrans-58.8-45.7169.8-76-175.4-139.200111.9R347 E383 L385 A390 E391R347-E387 IonicContact CZ-OE2 2.68Å; R347-E387 IonicContact NE-OE2 3.21Å; R347-E387 PolarHBondContact NE-OE2 3.03Å; R347-E387 IonicContact NH2-OE2 3.87Å; R347-E387 PolarHBondContact NH2-OE2 3.26Å; E383-E387 PolarHBondContact O-N 2.89Å; L385-E387 VanDerWaalsContact C-N 3.35Å; E387-A390 PolarHBondContact O-N 3.42Å; E387-E391 PolarHBondContact O-N 3.43Å
388W93.6Very high80.2Confident56 Ų5688.9 Ų88.921%0.21248%0.477CS..Hα-helixtrans-65.3-42.3177.3179.786.9000111.9K348 G350 V384 L385 A390 E391 Q392K348-W388 VanDerWaalsContact C-CD1 3.48Å; K348-W388 PolarHBondContact O-NE1 3.12Å; G350-W388 VanDerWaalsContact CA-CD2 3.44Å; V384-W388 PolarHBondContact O-N 2.96Å; L385-W388 WeakPolarHBondContact O-CB 3.11Å; L385-W388 PolarHBondContact O-N 3.25Å; L385-W388 VanDerWaalsContact O-N 3.16Å; W388-A390 VanDerWaalsContact C-N 3.32Å; W388-A390 PolarHBondContact O-N 3.33Å; W388-E391 PolarHBondContact O-N 3.39Å; W388-Q392 HydrophobicContact CD2-CG 3.91Å; W388-Q392 HydrophobicContact CE3-CG 4.31Å; W388-Q392 HydrophobicContact CG-CG 4.41Å; W388-Q392 HydrophobicContact CH2-CG 4.19Å; W388-Q392 HydrophobicContact CZ2-CG 3.79Å; W388-Q392 HydrophobicContact CZ3-CG 4.44Å; W388-Q392 VanDerWaalsContact NE1-NE2 3.18Å; W388-Q392 VanDerWaalsContact O-CG 3.23Å; W388-Q392 WeakPolarHBondContact O-CG 3.47Å; W388-Q392 PolarHBondContact O-N 2.85Å
389E92.9Very high77.4Confident90 Ų9085.1 Ų85.142%0.42148%0.484SS..Hα-helixtrans-64.3-36.6177.5-70175.8-175.800111.5K351 L385 Q386 G393K351-E389 IonicContact NZ-OE1 3.57Å; K351-E389 PolarHBondContact NZ-OE1 3.43Å; L385-E389 WeakPolarHBondContact O-CG 3.46Å; L385-E389 PolarHBondContact O-N 2.89Å; Q386-E389 PolarHBondContact O-N 2.93Å; E389-G393 PolarHBondContact O-N 3Å
390A91.4Very high74.4Confident60 Ų6089.5 Ų89.550%0.49651%0.511SS..Hα-helixtrans-68.7-42.2174.200000113.3Q386 E387 W388 G393 T394Q386-A390 WeakPolarHBondContact O-CB 3.39Å; Q386-A390 PolarHBondContact O-N 2.88Å; E387-A390 PolarHBondContact O-N 3.42Å; W388-A390 VanDerWaalsContact C-N 3.32Å; W388-A390 PolarHBondContact O-N 3.33Å; A390-G393 PolarHBondContact O-N 3.03Å; A390-T394 PolarHBondContact O-N 3.17Å; A390-T394 PolarHBondContact O-OG1 3.33Å
391E87.6Confident71.4Confident100 Ų10091.5 Ų91.547%0.46753%0.531SS..Hα-helixtrans-66.4-43.4176.8-77.9-179.8-177.800112.2R347 E387 W388 G393 T394 Q395R347-E391 IonicContact CZ-OE1 2.68Å; R347-E391 IonicContact CZ-OE2 3.32Å; R347-E391 IonicContact NH1-OE1 2.71Å; R347-E391 PolarHBondContact NH1-OE1 2.95Å; R347-E391 IonicContact NH1-OE2 2.81Å; R347-E391 PolarHBondContact NH1-OE2 3.44Å; R347-E391 IonicContact NH2-OE1 3.19Å; R347-E391 PolarHBondContact NH2-OE1 3.24Å; R347-E391 IonicContact NH2-OE2 2.63Å; E387-E391 PolarHBondContact O-N 3.43Å; W388-E391 PolarHBondContact O-N 3.39Å; E391-G393 VanDerWaalsContact C-N 3.32Å; E391-G393 PolarHBondContact O-N 3.15Å; E391-T394 PolarHBondContact O-N 2.95Å; E391-Q395 PolarHBondContact O-N 3.38Å
392Q82.1Confident68.6Low96 Ų9695.4 Ų95.445%0.44956%0.564SS.*Hα-helixtrans-66.5-34.8176.6-62.7-67.12.400112W388 T394 Q395W388-Q392 HydrophobicContact CD2-CG 3.91Å; W388-Q392 HydrophobicContact CE3-CG 4.31Å; W388-Q392 HydrophobicContact CG-CG 4.41Å; W388-Q392 HydrophobicContact CH2-CG 4.19Å; W388-Q392 HydrophobicContact CZ2-CG 3.79Å; W388-Q392 HydrophobicContact CZ3-CG 4.44Å; W388-Q392 VanDerWaalsContact NE1-NE2 3.18Å; W388-Q392 VanDerWaalsContact O-CG 3.23Å; W388-Q392 WeakPolarHBondContact O-CG 3.47Å; W388-Q392 PolarHBondContact O-N 2.85Å; Q392-T394 PolarHBondContact O-N 2.82Å; Q392-Q395 PolarHBondContact O-N 3.14Å
393G63.3Low65.7Low70 Ų7097.5 Ų97.572%0.72258%0.583SS**Hα-helixtrans-65.6-16.6171.300000114.4E389 A390 E391E389-G393 PolarHBondContact O-N 3Å; A390-G393 PolarHBondContact O-N 3.03Å; E391-G393 VanDerWaalsContact C-N 3.32Å; E391-G393 PolarHBondContact O-N 3.15Å
394T58.4Low62.7Low115 Ų11598.4 Ų98.471%0.70660%0.601SS**Hα-helixtrans-98.7-9.4-179.1-51.70000112.8A390 E391 Q392 A396A390-T394 PolarHBondContact O-N 3.17Å; A390-T394 PolarHBondContact O-OG1 3.33Å; E391-T394 PolarHBondContact O-N 2.95Å; Q392-T394 PolarHBondContact O-N 2.82Å; T394-A396 PolarHBondContact O-N 3.34Å
395Q50.9Low59.7Low150 Ų150100.8 Ų100.870%0.70163%0.63SS**  trans-74.867.2173.6-78.2-84.2-3.300112E391 Q392E391-Q395 PolarHBondContact O-N 3.38Å; Q392-Q395 PolarHBondContact O-N 3.14Å
396A37.7Very low56.9Low76 Ų76109.6 Ų109.663%0.62867%0.671SS**  trans-70.7125.1171.300000110.9T394 N398T394-A396 PolarHBondContact O-N 3.34Å; A396-N398 PolarHBondContact O-N 3.15Å
397P45.6Very low54.1Low130 Ų130109.7 Ų109.784%0.84467%0.671SS**  trans-81.180.1-17332.7-36.4000112.8G399P397-G399 PolarHBondContact O-N 3.28Å
398N38.7Very low51.1Low170 Ų170108.4 Ų108.491%0.90968%0.683SS**  trans-80.896.9166.3-86.9-13.7000110.3A396A396-N398 PolarHBondContact O-N 3.15Å
399G33.7Very low48.2Very low69 Ų69113.2 Ų113.271%0.71171%0.706SS**SBendtrans178.656.8-178.300000115.1P397P397-G399 PolarHBondContact O-N 3.28Å
400D33.3Very low45.1Very low157 Ų157116.9 Ų116.984%0.8473%0.728SS**  trans30.4105.7167-79.1-39.9000120
401S31.4Very low42.2Very low129 Ų129118.7 Ų118.790%0.90274%0.737SS**  -158134.6120.2-81.50000110.6
402A36Very low39.3Very low84 Ų84118.4 Ų118.469%0.69475%0.746SS**  trans-102.2163.1-172.600000113.4
403T32.3Very low36.6Very low137 Ų137120.5 Ų120.584%0.8477%0.765SS**  trans68121.1176.6690000114.3
404S32.9Very low35Very low123 Ų123123.4 Ų123.486%0.8677%0.769SS**  cis67.8121.425.2-159.90000114.2
405G30.9Very low33.8Very low71 Ų71124 Ų12473%0.73278%0.775SS**  cis-157.4-161.2-3.300000108.8
406E35.2Very low32.6Very low190 Ų190122.8 Ų122.889%0.88878%0.783SS**  cis-155.7175.9-2.6-63.2-172.775.800106.7
407E35.3Very low32.1Very low138 Ų138122.8 Ų122.865%0.64579%0.791SS**  cis-132.7-112.7-0.9-174.7-128.558.700108.1K409E407-K409 WeakPolarHBondContact OE1-CG 3.27Å; E407-K409 PolarHBondContact OE1-N 3Å; E407-K409 IonicContact OE1-NZ 2.74Å; E407-K409 PolarHBondContact OE1-NZ 2.94Å; E407-K409 IonicContact OE2-NZ 3.84Å; E407-K409 PolarHBondContact OE2-NZ 3.26Å
408G30.4Very low31.5Very low66 Ų66125.3 Ų125.368%0.6879%0.788SS**  trans132.232.9157.300000119.8
409K32.7Very low31Very low157 Ų157122.5 Ų122.568%0.68378%0.782SS**  trans-27.2129.1179-69.6171-170.772.80117.5E407E407-K409 WeakPolarHBondContact OE1-CG 3.27Å; E407-K409 PolarHBondContact OE1-N 3Å; E407-K409 IonicContact OE1-NZ 2.74Å; E407-K409 PolarHBondContact OE1-NZ 2.94Å; E407-K409 IonicContact OE2-NZ 3.84Å; E407-K409 PolarHBondContact OE2-NZ 3.26Å
410N26.8Very low31Very low166 Ų166122.9 Ų122.989%0.88877%0.771SS**  -168.8168.2106.250.881.2000112.1
411S30.1Very low30.9Very low99 Ų99121.6 Ų121.669%0.69276%0.764SS**  trans-126.1142.9-159.1-171.10000114.3
412S27.4Very low31.4Very low94 Ų94123.5 Ų123.566%0.65776%0.759SS**  trans41.5129.9144.262.70000120.9
413T25.6Very low31.7Very low139 Ų139128.5 Ų128.585%0.85377%0.768SS**  trans-141.4110.6144.3-65.70000110.6
414T29.8Very low32Very low131 Ų131129.2 Ų129.280%0.80477%0.766SS**  trans-140.9135.9163.846.50000108.6
415P33.8Very low32.2Very low127 Ų127132 Ų13283%0.82577%0.766SS**  trans-113.8114.6165.933.6-22.7000110.9
416S25.2Very low32.3Very low125 Ų125137.8 Ų137.887%0.87477%0.774SS**  trans-119.7136.4164.5-74.10000109
417G27.6Very low32.1Very low76 Ų76132 Ų13278%0.78476%0.764SS**  trans-106.7132.7-173.700000114.6
418K32.5Very low31.9Very low183 Ų183134.5 Ų134.580%0.79678%0.776SS**  trans45.5111.3137-169.9178178.5179.50120.4T420K418-T420 HydrophobicContact CG-CG2 4.15Å
419S27.8Very low31.9Very low112 Ų112137 Ų13778%0.78378%0.778SS**  trans-154.1139.7141.7-126.50000107.5
420T34.4Very low31.6Very low76 Ų76135.4 Ų135.447%0.46678%0.782SS.*  cis71.5114.63.277.40000114.3K418K418-T420 HydrophobicContact CG-CG2 4.15Å
421D30.5Very low31.7Very low130 Ų130132 Ų13270%0.69577%0.771SS**  cis-159.6172.76.4-54-63.8000109.2
422E42.7Very low31.7Very low169 Ų169133 Ų13379%0.7978%0.778SS**  cis-168.2159.9-26.8-97.4171.7155.900110.2
423E42Very low31.7Very low190 Ų190132 Ų13289%0.88878%0.782SS**  trans57146163-69.2-178.9167.500123.6
424D37.2Very low31.9Very low152 Ų152130.5 Ų130.581%0.81378%0.784SS**  cis-135.2-111.8-13.9-17141.2000114.4
425E38.9Very low31.9Very low181 Ų181129.7 Ų129.785%0.84678%0.784SS**  cis-155.1-175.713.6-160.3176.8-133.600111.5
426E32.6Very low32.4Very low193 Ų193129.6 Ų129.690%0.90278%0.783SS**  trans-59.3159.3-174.7-64-164.7122.800117.3
427G30.4Very low32.6Very low67 Ų67128 Ų12869%0.69178%0.777SS**  cis164.6163.6-4.100000114.3
428Q30.6Very low32.7Very low192 Ų192129.2 Ų129.290%0.89778%0.78SS**  trans64.8151.5176-76.2-17216.800118.3
429V30.2Very low32.7Very low119 Ų119125.3 Ų125.372%0.72178%0.776SS**  cis-138.2158.17.5-103.90000113.8
430T27.8Very low32.8Very low123 Ų123124.6 Ų124.676%0.75577%0.771SS**  trans-24.3162.3157.555.80000120
431S29.3Very low32.6Very low95 Ų95126.4 Ų126.466%0.66479%0.786SS**  cis179.5164.7-19.366.10000110
432S30.1Very low32.6Very low120 Ų120125.5 Ų125.584%0.83979%0.79SS**  trans70.3138.9160.9-46.10000118.1
433G26.8Very low32Very low72 Ų72123 Ų12374%0.74279%0.792SS**  cis171.8-173.9-6.100000114
434A29.5Very low31.4Very low107 Ų107118.4 Ų118.488%0.88479%0.786SS**  trans71.9109.916800000120.7
435S29.1Very low31.2Very low115 Ų115120.3 Ų120.380%0.80479%0.79SS**  trans-82.8171.1144.6-370000109.5
436P44.7Very low30.9Very low125 Ų125119.3 Ų119.381%0.81279%0.79SS**  -128.6170.958.310.215.9000112.8
437A30.1Very low31.4Very low90 Ų90115.7 Ų115.774%0.74478%0.783SS**  cis117.3141.21800000111.9
438A30.2Very low31.4Very low102 Ų102118.7 Ų118.784%0.84379%0.788SS**  trans65.615517500000117.6
439S31.2Very low31.4Very low102 Ų102114 Ų11471%0.71378%0.776SS**  cis-168.2174.1-24.756.30000109.9
440S30Very low31.6Very low96 Ų96113 Ų11367%0.67178%0.775SS**  trans52.4110.6156.251.30000119.1
441S30.4Very low31.7Very low114 Ų114114.6 Ų114.680%0.79778%0.779SS**  71.496.162.3790000116.8
442S30.2Very low31.8Very low112 Ų112114 Ų11478%0.78378%0.78SS**  trans-173.4126.7139.659.30000114.9
443S30.3Very low31.9Very low117 Ų117113.5 Ų113.582%0.81878%0.776SS**  trans52.2110.3134.1-52.10000123.1
444A30Very low32.1Very low92 Ų92115.6 Ų115.676%0.7678%0.779SS**  56.8125.7127.100000122.2
445Q32.1Very low32.2Very low192 Ų192116 Ų11690%0.89778%0.776SS**  -170.2148.4109.9-100.2165.541.100112.2
446N33Very low32.4Very low161 Ų161116.8 Ų116.886%0.86177%0.77SS**  trans-114.7148.9168.4-94-12.3000109
447P42.9Very low31.8Very low116 Ų116118.3 Ų118.375%0.75377%0.766SS**  -142.7137.1127.135.3-20.9000115.4
448V31.1Very low31.9Very low130 Ų130122.5 Ų122.579%0.78877%0.771SS**  29.1131.5107.6162.60000116.7
449S31.3Very low32.7Very low93 Ų93123.2 Ų123.265%0.6577%0.767SS**  cis-173.5163.21.3-104.90000114.5
450S33.6Very low33.4Very low99 Ų99124.2 Ų124.269%0.69277%0.77SS**  trans74.1155.2140.167.50000123.3
451N30.8Very low34.3Very low156 Ų156125.4 Ų125.483%0.83478%0.776SS**  trans76.9138165.1-66.9-5.6000118.3
452A30.9Very low34.6Very low83 Ų83127.6 Ų127.669%0.68678%0.778SS**  cis-160.4155.1-8.100000114.6
453S31.8Very low35Very low109 Ų109131 Ų13176%0.76279%0.787SS**  trans47.5111.6141.7-54.70000123.9
454S31.9Very low35.7Very low116 Ų116136.6 Ų136.681%0.81179%0.79SS**  47.8128.712866.20000123.1
455S31.5Very low36.3Very low116 Ų116138.3 Ų138.381%0.81179%0.793SS**  -173.9177.7105.4-156.40000113.3
456L32.8Very low36.3Very low131 Ų131134.9 Ų134.969%0.68679%0.79SS**  trans-89.7169.1-163.6-69.267.1000116.2
457H32Very low36.5Very low158 Ų158134.8 Ų134.873%0.73179%0.789SS**  trans94.5120.2147.9-66121.7000122.3
458Q32.4Very low37Very low178 Ų178135.2 Ų135.283%0.83279%0.792SS**  trans59.6139.2139.5-67.2-177.1-14.800122.7
459P46.4Very low37.4Very low117 Ų117133.9 Ų133.976%0.7679%0.794SS**  trans-85.2152.5165.637.3-34.9000111.9
460P46.3Very low37.9Very low122 Ų122135.1 Ų135.179%0.79280%0.798SS**  -144-159.59141.3-23.5000111
461P48.3Very low38.5Very low122 Ų122136.6 Ų136.679%0.79281%0.805SS**  cis-132.2-121.2-0.942.2-21.2000114.3
462L37.2Very low38.8Very low160 Ų160134.2 Ų134.284%0.83880%0.801SS**  trans-140.2150.5-173.2-69.4160000110.9
463L38.8Very low38.9Very low184 Ų184138.9 Ų138.996%0.96381%0.813SS**  trans-149.3154.6152.3-84.5-170.7000111.8
464R44.5Very low39.3Very low233 Ų233141.5 Ų141.588%0.87981%0.813SS**  trans-153.6128.6-172.2-174-166.3-169.8-179.57.3111.7
465P42.4Very low39.6Very low128 Ų128147.5 Ų147.583%0.83182%0.818SS**  trans-85.1169.7167-14.732.4000114
466S33.1Very low39.9Very low120 Ų120149.2 Ų149.284%0.83981%0.813SS**  trans-117.5169.7-162.862.40000116.8
467L36.8Very low40.4Very low160 Ų160148.6 Ų148.684%0.83882%0.817SS**  trans-75.6161.1174.5-60165.5000113.7
468P52.3Low41Very low125 Ų125146.9 Ų146.981%0.81282%0.82SS**  trans-90.4167.3146.41.519.2000112.2
469A41.2Very low41.8Very low102 Ų102144.3 Ų144.384%0.84382%0.818SS**  trans-98.7176.5-170.200000115.6
470T40.2Very low41.7Very low119 Ų119147.2 Ų147.273%0.7383%0.827SS**  trans-82.7178-175.460.50000113.9
471P46.5Very low41.3Very low129 Ų129149.5 Ų149.584%0.83883%0.827SS**  -127157.5107.837.3-33.6000113.9
472S36.6Very low41.1Very low106 Ų106152.5 Ų152.574%0.74183%0.83SS**  trans-90.8144.9-176-54.10000113.4
473L33.9Very low41Very low182 Ų182153.5 Ų153.595%0.95383%0.831SS**  trans-131.2144.2151.1-88-179.6000111.3
474H39.9Very low40.8Very low163 Ų163149.1 Ų149.176%0.75582%0.821SS**  trans-103.4124.8-168.3-172.892.9000110.3
475R38.5Very low40.4Very low243 Ų243148.3 Ų148.392%0.91782%0.818SS**  trans-142.2129.9167.4-106.8-175.5-178.8-89-0.6111.4
476Q37.9Very low40Very low152 Ų152151.6 Ų151.671%0.7182%0.819SS**PPolyproline II helixtrans-83.4158.4172.9-68.5-171.1-4.900111.5
477P43Very low40Very low118 Ų118151.7 Ų151.777%0.76681%0.81SS**PPolyproline II helixtrans-67.3138.4168.229.2-35000111.2
478P44.6Very low40.1Very low121 Ų121152 Ų15279%0.78681%0.807SS**PPolyproline II helixtrans-75.2152.117331.5-34.1000111.8
479P48.3Very low39.8Very low124 Ų124151.8 Ų151.881%0.80581%0.806SS**PPolyproline II helixtrans-89.8168.9-169.636.2-37.8000114.9
480L44.5Very low39.3Very low179 Ų179157.1 Ų157.194%0.93780%0.804SS**PPolyproline II helixtrans-52.7138.4162.1-82.2153.8000111.8
481Q38.9Very low38.9Very low169 Ų169158 Ų15879%0.7981%0.809SS**  trans-139.7120.9164.7-163.6163.850.600111.4
482Q44.9Very low38.2Very low186 Ų186156.1 Ų156.187%0.86980%0.795SS**  trans-86.7145.2165.6-59.5173.75.300109
483Q35Very low38Very low180 Ų180158.9 Ų158.984%0.84180%0.801SS**  trans-160.2159.8156.8-116.8163.56300111.4
484A34.3Very low38Very low92 Ų92158.6 Ų158.676%0.7680%0.795SS**  trans-151.2154.5-169.500000113.6
485R35.7Very low37.8Very low217 Ų217159.5 Ų159.582%0.81980%0.8SS**  trans66.7125.5168.5-63.6-179.3171.6172.2-1.8118.8
486F33.8Very low38Very low196 Ų196153 Ų15386%0.8679%0.789SS**  -145.6133.5101.8-85.6-87.3000105.4
487L33.3Very low38.6Very low122 Ų122151 Ų15164%0.63979%0.789SS**  62.9131.561.3-59.8-179.8000111.7
488Q38.8Very low38.9Very low167 Ų167150.7 Ų150.778%0.7879%0.787SS**  cis-162.4-169.818.7-121.9-177.78000108.8
489P45.5Very low38.3Very low120 Ų120152.1 Ų152.178%0.77979%0.787SS**  cis-125.1-138.5-9.438.7-18000113.7
490R32.1Very low37.9Very low215 Ų215153.8 Ų153.881%0.81179%0.788SS**  trans-151.8150.7-147.1173-169.6179.7-161.71.7115.4T492R490-T492 HydrophobicContact CG-CG2 4.18Å
491T31.1Very low37.6Very low136 Ų136156 Ų15683%0.83478%0.784SS**  trans-125.8174.8158.749.10000112.1
492T32.3Very low37.6Very low90 Ų90153.6 Ų153.655%0.55278%0.782SS**  trans-151.998.4-149.446.40000117.2R490R490-T492 HydrophobicContact CG-CG2 4.18Å
493L32.7Very low37.1Very low165 Ų165150.2 Ų150.286%0.86478%0.78SS**  trans-147.1108.7154.2-108.6110.4000109.6
494Q33.8Very low37.1Very low175 Ų175149.3 Ų149.382%0.81878%0.781SS**  91.394.174.4-79-168.943.900114.2
495Q34Very low37.9Very low183 Ų183150.1 Ų150.186%0.85578%0.778SS**  trans-0.8169.5147.5-75-168.916.800122.5
496P44.3Very low38.4Very low107 Ų107148.1 Ų148.170%0.69578%0.78SS**  cis-133165.87.539.5-23.4000117.5
497P49.9Very low39.3Very low110 Ų110143.9 Ų143.971%0.71477%0.772SS**  trans-85.4153.3152.337.6-33000110.4
498P48.6Very low40Very low111 Ų111143.3 Ų143.372%0.72178%0.776SS**  -157.9171.280.540.9-21.3000117
499L33.2Very low40Very low151 Ų151147.1 Ų147.179%0.79178%0.783SS**  -167.2140.6116.5-132.466.4000112.7
500I38.5Very low39.7Very low158 Ų158149.1 Ų149.181%0.8179%0.786SS**  trans-112.2145.4170-66.4169000107.8
501R38.9Very low40.2Very low226 Ų226146.1 Ų146.185%0.85379%0.786SS**  trans-128.9152.3157.7-85.2-170.5172.4167.5-0.7110.8
502P38.8Very low41Very low118 Ų118145.2 Ų145.277%0.76678%0.783SS**  trans-91.4148.8-155.1-7.127.1000113.5
503S35.6Very low41.5Very low116 Ų116150.2 Ų150.281%0.81179%0.791SS**  trans-65.9146.4150.247.80000110
504N33.7Very low41.8Very low161 Ų161148 Ų14886%0.86179%0.787SS**  trans-133148.3166.8-143.137.9000109.3
505P50.9Low42Very low109 Ų109144 Ų14471%0.70878%0.775SS**PPolyproline II helixtrans-97.3166.1-151.837.2-37.7000115.5
506M47.8Very low42.9Very low174 Ų174140.9 Ų140.986%0.85777%0.77SS**PPolyproline II helixtrans-64.5139.3165.7-169.6172.270.700110.9
507P50.9Low42.4Very low107 Ų107143 Ų14370%0.69578%0.781SS**PPolyproline II helixtrans-70.7156.7-179.428.7-35.2000113
508P49.3Very low41.9Very low110 Ų110143.2 Ų143.271%0.71479%0.785SS**PPolyproline II helixtrans-82.4150.9-167.732.6-36.5000114.2
509R38.2Very low41.1Very low247 Ų247146.5 Ų146.593%0.93280%0.796SS**PPolyproline II helixtrans-71134.2154.7-87.5-174.1164.2-158.7-4.1109.6
510L39.8Very low41Very low163 Ų163142.2 Ų142.285%0.85379%0.788SS**  trans-122.8132.3158.4-71.6176.6000110.1
511N42.3Very low40.7Very low151 Ų151139.9 Ų139.981%0.80779%0.786SS**  trans-78.9169.3167.2-116.617.5000108.7
512P47.8Very low40.4Very low117 Ų117136.8 Ų136.876%0.7679%0.786SS**  cis-148.1170.54640.8-20.2000118.9
513R42.4Very low40.1Very low195 Ų195136 Ų13674%0.73679%0.79SS**  trans-70.8138.7162.2158.8-172.9168.2-177.8-0.6111.4T515R513-T515 VanDerWaalsContact CZ-OG1 3.31Å; R513-T515 PolarHBondContact NE-OG1 3.32Å; R513-T515 PolarHBondContact NH2-OG1 3.2Å
514P39.3Very low40.1Very low120 Ų120135.4 Ų135.478%0.77979%0.791SS**  trans-104.2118.416134.3-26.9000112.9
515T38.2Very low40Very low89 Ų89131.1 Ų131.155%0.54679%0.785SS.*  trans-156.7143.3157.153.50000105.6R513R513-T515 VanDerWaalsContact CZ-OG1 3.31Å; R513-T515 PolarHBondContact NE-OG1 3.32Å; R513-T515 PolarHBondContact NH2-OG1 3.2Å
516P53.4Low40.2Very low118 Ų118132.6 Ų132.677%0.76680%0.795SS**  cis-138.6-179.228.143.3-27.4000115.2
517V33.2Very low39.4Very low153 Ų153127.4 Ų127.493%0.92779%0.787SS**  -161.1161127-99.20000109.7
518S38.5Very low38.8Very low114 Ų114131.8 Ų131.880%0.79780%0.797SS**  trans-133.9126.31761780000110
519L33.2Very low38.1Very low180 Ų180131.5 Ų131.594%0.94280%0.798SS**  trans171.9140.4171.9-95.9149.4000106.1
520G29.8Very low37.9Very low61 Ų61125.1 Ų125.163%0.62979%0.791SS**  cis172.9152.2-8.900000111.6
521S32.1Very low37.7Very low108 Ų108121.7 Ų121.776%0.75579%0.787SS**  trans55.6112.7158.758.70000122.8
522N33.1Very low37.3Very low161 Ų161123.4 Ų123.486%0.86179%0.79SS**  82.4152.2123.7-72.91.6000125
523A33.3Very low36.8Very low103 Ų103126 Ų12685%0.85179%0.792SS**  trans73.9133.3164.300000117.5
524A35Very low37.3Very low102 Ų102122.7 Ų122.784%0.84380%0.795SS**  cis-152.4167.3-700000111.8
525G31.3Very low37.3Very low71 Ų71121.9 Ų121.973%0.73280%0.799SS**  trans-92.7-150.1170.100000112.8
526P55.5Low37.1Very low140 Ų140120.9 Ų120.991%0.90981%0.807SS**  cis-139.8-174.48.743.6-25.4000116.5
527G31.5Very low36.2Very low66 Ų66125 Ų12568%0.6882%0.818SS**  trans136.893.1167.700000112.3
528Q36.8Very low36.4Very low198 Ų198122.3 Ų122.393%0.92581%0.812SS**  58.1133.884-62.5-165.19.200114
529S35.1Very low36.5Very low105 Ų105125.3 Ų125.373%0.73482%0.817SS**  cis-153.9168.326.850.50000115.5
530S34.4Very low36.5Very low112 Ų112124.5 Ų124.578%0.78381%0.808SS**  trans34.2121.5154.8-590000121.5
531A36.3Very low36.8Very low91 Ų91128.5 Ų128.575%0.75282%0.815SS**  74.1148.87400000113.9
532Q33.9Very low36.9Very low188 Ų188127.6 Ų127.688%0.87981%0.808SS**  cis-156.7160.519.8-166.9157.8-20.800112.6
533Q36.2Very low36.9Very low172 Ų172126.9 Ų126.980%0.80480%0.804SS**  trans-102.6155.4169.8-126.5-175.630.400110
534P52.5Low37.2Very low124 Ų124129.1 Ų129.181%0.80581%0.808SS**  -152.3-170.98140.9-21000115.3
535A39.7Very low37.4Very low103 Ų103128.8 Ų128.885%0.85181%0.805SS**  trans-99.8166.2176.400000113.1
536G34.4Very low37.9Very low69 Ų69131.1 Ų131.171%0.71181%0.81SS**  trans178.8121.216900000117.9
537M34.5Very low37.1Very low204 Ų204129.7 Ų129.7100%1.00580%0.803SS**  trans70.7148.2150.2-58.8-170.7175.800121.1
538A37.8Very low37.7Very low97 Ų97132 Ų13280%0.80281%0.809SS**  trans-119.1156.2170.900000109.6
539I39.7Very low38.1Very low177 Ų177127.7 Ų127.791%0.90880%0.801SS**  trans-128.8156.6168.3-68-175.3000108.8
540H34.5Very low38.8Very low162 Ų162129 Ų12975%0.7580%0.804SS**  trans-116.5173.3-160.6-158.8-94.4000110.7
541L34.4Very low39.4Very low146 Ų146135.4 Ų135.476%0.76482%0.821SS**  trans72.8152.8168.8-52.9173.7000116.7
542S34.5Very low39.6Very low89 Ų89137.7 Ų137.762%0.62283%0.825SS**  cis-169.3156.5-24.551.20000110.7
543D33.4Very low39.9Very low145 Ų145135 Ų13578%0.77582%0.822SS**  trans20.3132.7152.5-62.4-73.2000122.1
544T39.1Very low40.1Very low151 Ų151132.9 Ų132.993%0.92682%0.823SS**  -161.1149.8108.89.30000111.6
545A41Very low39.4Very low94 Ų94133.5 Ų133.578%0.77782%0.824SS**  trans-126.2141.1-178.500000112.2
546S40.9Very low39.3Very low121 Ų121135.4 Ų135.485%0.84682%0.822SS**  trans-166.8130.6155.8-79.50000107.4
547S39.5Very low39.7Very low110 Ų110139.8 Ų139.877%0.76983%0.829SS**  cis102.8143.628.8-170.50000112.5
548S43.8Very low40Very low114 Ų114135.2 Ų135.280%0.79782%0.817SS**  trans73.7125.1-167.5-44.20000113.9
549S44.7Very low40.2Very low108 Ų108138.2 Ų138.276%0.75582%0.818SS**  cis91.414726.4-162.60000114.4
550V49.3Very low40.3Very low133 Ų133134.9 Ų134.981%0.80681%0.811SS**  trans56.5133.5-169.5-68.50000114.9
551H48Very low40.8Very low246 Ų246132.5 Ų132.5100%1.13982%0.816SS**  cis-136.1044.9-141.9-41.4000116.8

Retrieved 551 of 551 residues in 322 ms (Link to these results)