A0A060WE30_ONCMY Loading...

Homeobox protein

Sequence-specific transcription factor which is part of a developmental regulatory system that provides cells with specific positional identities on the anterior-posterior axis.

AlphaFold DB , UniProt , Accession A0A060WE30, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110538096, Length 249 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
1M41.9Very low45.5Very low250 Ų250148.6 Ų148.6100%1.23282%0.82SS**  0149.80-73.9172.3158.500108.4
2S38.1Very low45.7Very low116 Ų116146.8 Ų146.881%0.81182%0.816SS**  trans-104.6170.5-178.1-40.80000109.6
3I39.5Very low45.3Very low164 Ų164145 Ų14584%0.84180%0.804SS**  cis-137.8178.611.641.5166.3000110.4
4S49.9Very low45Very low117 Ų117140.6 Ų140.682%0.81879%0.788SS**  trans-53.2156.9163-490000113.8
5G41Very low45.1Very low79 Ų79140.7 Ų140.781%0.81478%0.784SS**  trans-149.391170.900000113.2
6T50.5Low44.9Very low138 Ų138141.2 Ų141.285%0.84778%0.783SS**  trans-89.5123.1161.649.20000108.9
7L53.4Low44.4Very low163 Ų163140.4 Ų140.485%0.85379%0.789SS**  trans-131.4120167.5-83.2171.1000110.5
8S41.4Very low44.2Very low73 Ų73141.3 Ų141.351%0.5179%0.786SS.*  trans-99.3144.3170.979.60000109.8Y10S8-Y10 WeakPolarHBondContact O-CE1 3.38Å; S8-Y10 PolarHBondContact O-OH 3.38Å
9N46.1Very low43.6Very low139 Ų139141.4 Ų141.474%0.74378%0.779SS**  trans70.2173.2155.4-61.9-56.2000118.5
10Y48.1Very low43.3Very low174 Ų174140.6 Ų140.668%0.68278%0.784SS**  trans6185.7164.744.8-100.8000119.3S8S8-Y10 WeakPolarHBondContact O-CE1 3.38Å; S8-Y10 PolarHBondContact O-OH 3.38Å
11Y50.8Low43Very low222 Ų222142 Ų14287%0.87179%0.785SS**  -149.1119.3108.8-133-95.4000111.3
12V47.8Very low42.8Very low126 Ų126137.6 Ų137.676%0.76477%0.766SS**  trans-104154.4161.3169.90000106.2
13D40.2Very low43.3Very low124 Ų124137.6 Ų137.666%0.66376%0.764SS**  trans99.1154.6159.5-136.9-76.4000118.8
14S41.4Very low43.2Very low83 Ų83136.6 Ų136.658%0.5877%0.765SS**  trans77.784.8164.2-66.70000116.4
15I45.8Very low42.5Very low142 Ų142137.2 Ų137.273%0.72877%0.769SS**  84.515176.272.3-165.5000114.4
16I42.7Very low42.4Very low149 Ų149138.2 Ų138.276%0.76477%0.77SS**  trans80.8103.4173.2-59.7161.3000116.1
17S36.8Very low42.1Very low127 Ų127141.9 Ų141.989%0.88877%0.768SS**  -138.7123.7129-72.70000107.1
18H39.5Very low41.2Very low158 Ų158143.4 Ų143.473%0.73177%0.768SS**  trans-93.5162.8-173.8-159.5-108.1000110
19E34.4Very low40.9Very low143 Ų143145 Ų14567%0.66878%0.78SS**  trans73.2102.7152-133.7162.7106.200119.7E21E19-E21 HydrophobicContact CG-CG 4.19Å
20S37.6Very low40.4Very low125 Ų125144.3 Ų144.387%0.87478%0.776SS**  -147.7123.9129.257.20000108.9
21E36.5Very low39.8Very low170 Ų170142.1 Ų142.179%0.79478%0.78SS**  trans-105.1130.7-169.3-44.4-170.3118.400110.8E19E19-E21 HydrophobicContact CG-CG 4.19Å
22D38.4Very low39.2Very low158 Ų158139 Ų13985%0.84577%0.774SS**  trans-160.5125.4156.6-135.4-37.9000111
23P47.6Very low38.5Very low116 Ų116144.2 Ų144.275%0.75378%0.781SS**  trans-101.6115.1-170.235.4-30.5000113.8
24T36.5Very low38.4Very low143 Ų143143.9 Ų143.988%0.87779%0.789SS**  trans-133.3135.7156.253.10000112.8
25S36.9Very low38.1Very low129 Ų129147.5 Ų147.590%0.90280%0.802SS**  trans-65.3133.4-172-60.40000114.9
26A37.7Very low37.7Very low100 Ų100146.6 Ų146.683%0.82681%0.808SS**  trans-155.4136.813600000112.2
27R44Very low37.4Very low216 Ų216150.2 Ų150.282%0.81581%0.812SS**  trans-66144.9172.6-59.4164.4-180135.4-1109.5
28F36.1Very low37.8Very low194 Ų194152.4 Ų152.485%0.85181%0.808SS**  -174.3163.995-92.3-66.4000111.8
29S34.3Very low38.3Very low107 Ų107150 Ų15075%0.74881%0.806SS**  trans-92.5140.2-153.244.70000115.7
30N34.9Very low38.4Very low125 Ų125147.2 Ų147.267%0.66882%0.816SS**  trans-51.7140163.9-179.122.1000113.2
31V36.5Very low38.4Very low127 Ų127145 Ų14577%0.7781%0.813SS**  trans-135.1114.9155177.90000108.4
32Q37.8Very low38.9Very low158 Ų158147 Ų14774%0.73882%0.821SS**  trans-82.7145.2173.4-66.3179.9-30.200110.7
33Y32.3Very low39Very low234 Ų234142.6 Ų142.692%0.91881%0.814SS**  trans-86112.2162.5-79.8-89.9000109.8
34S38.3Very low38.7Very low117 Ų117145.9 Ų145.982%0.81882%0.819SS**  trans-99.913516355.10000109.6
35N36.3Very low39Very low160 Ų160146.6 Ų146.686%0.85681%0.812SS**  trans-112.5115.3-175-17235.2000109.1
36S35.6Very low39.6Very low122 Ų122144.9 Ų144.985%0.85380%0.798SS**  trans-137.6134.7177-82.80000110.7
37R38.1Very low40Very low225 Ų225148.8 Ų148.885%0.84980%0.799SS**  trans-128.6108.5-170.2175-165-117.8-1220.7110.6
38Q43.4Very low40.3Very low173 Ų173146.5 Ų146.581%0.80880%0.795SS**  trans-162.3167.4156.3-96.9-31.3-90.400110.1
39P51Low41.2Very low108 Ų108142.9 Ų142.970%0.70179%0.791SS**  trans-125.4165.4-137.641.3-27.3000115.6
40G37Very low42.3Very low85 Ų85143.3 Ų143.388%0.87679%0.794SS**  trans89.9140.1158.200000115.4
41G36.8Very low43.3Very low77 Ų77143.2 Ų143.279%0.79480%0.802SS**  trans131.2118.1173.600000113
42H47.1Very low44.4Very low212 Ų212141.8 Ų141.898%0.98180%0.798SS**  trans-37.8136.2172.5-99.9-112.7000115.1
43G41.5Very low45.4Very low66 Ų66143.7 Ų143.768%0.6880%0.804SS**  trans-178.1113.1166.200000112.9
44E40.6Very low47Very low186 Ų186139.8 Ų139.887%0.86979%0.794SS**  trans12.8105.6148.4-53-7176.400115.9P46E44-P46 WeakPolarHBondContact O-CD 3.28Å
45H42.6Very low48.2Very low158 Ų158140.1 Ų140.173%0.73179%0.793SS**  trans-71.6112.5178.8174.6-78.8000111.3E47H45-E47 PolarHBondContact O-N 3.49Å
46P50.6Low49.9Very low92 Ų92141.5 Ų141.560%0.59779%0.791SS**  trans-71.1124.6172.330.2-32.6000109.5E44 F48E44-P46 WeakPolarHBondContact O-CD 3.28Å; P46-F48 PolarHBondContact O-N 3.12Å
47E45.9Very low51.3Low182 Ų182140.9 Ų140.985%0.8579%0.785SS**  trans-62.2102.4172.8-81.8174.390.700110.8H45H45-E47 PolarHBondContact O-N 3.49Å
48F49.4Very low52.9Low169 Ų169135.3 Ų135.374%0.74178%0.777SS**  trans-62.1131.4157.7-68.3-85.7000108.2P46 S50P46-F48 PolarHBondContact O-N 3.12Å; F48-S50 PolarHBondContact O-N 3.27Å
49P55.2Low54.2Low118 Ų118133.5 Ų133.577%0.76678%0.778SS**  trans-65107.9-177.325.5-33.6000109.9C51P49-C51 PolarHBondContact O-N 3.16Å
50S57.7Low55Low115 Ų115136.4 Ų136.480%0.80478%0.78SS**  trans-54.3123.9172.6-173.50000109F48 S52F48-S50 PolarHBondContact O-N 3.27Å; S50-S52 PolarHBondContact O-N 2.99Å
51C55.2Low56.1Low124 Ų124137.9 Ų137.984%0.83878%0.777SS**  trans-7078.2-176.7-720000111.6P49 F53P49-C51 PolarHBondContact O-N 3.16Å; C51-F53 VanDerWaalsContact C-N 3.27Å; C51-F53 PolarHBondContact O-N 3.38Å
52S59.5Low56.7Low97 Ų97138.9 Ų138.968%0.67877%0.772SS**  trans-66.285168179.30000109.6S50 Q54S50-S52 PolarHBondContact O-N 2.99Å; S52-Q54 VanDerWaalsContact C-N 3.27Å; S52-Q54 PolarHBondContact O-N 3.18Å
53F58.8Low57.2Low198 Ų198133.3 Ų133.387%0.86876%0.757SS**  trans-74.484.9171.5-146.7-85.3000108.4C51C51-F53 VanDerWaalsContact C-N 3.27Å; C51-F53 PolarHBondContact O-N 3.38Å
54Q65.6Low58.1Low152 Ų152141.8 Ų141.871%0.7177%0.768SS**  trans-59.4126.3177.5-74.3-158.9-28.700109.9S52 K56S52-Q54 VanDerWaalsContact C-N 3.27Å; S52-Q54 PolarHBondContact O-N 3.18Å; Q54-K56 PolarHBondContact O-N 2.95Å
55P64.3Low58.8Low123 Ų123137.2 Ų137.280%0.79976%0.757SS**  trans-67.6110.2177.326.8-32.5000109
56K71.6Confident59.4Low189 Ų189135.3 Ų135.382%0.82276%0.759SS**PPolyproline II helixtrans-62.3136.4171.6-66.5179.5180177.60108.8Q54Q54-K56 PolarHBondContact O-N 2.95Å
57P66.3Low59.4Low110 Ų110140.9 Ų140.971%0.71477%0.774SS**PPolyproline II helixtrans-60.3139.4176.625.8-33.8000109.9V59P57-V59 PolarHBondContact O-N 3.42Å
58P71.5Confident59.4Low107 Ų107137.7 Ų137.770%0.69577%0.772SS**PPolyproline II helixtrans-66.4123-179.927.3-33.8000109.9F60P58-F60 PolarHBondContact O-N 3.32Å
59V71.1Confident59.5Low136 Ų136135.6 Ų135.682%0.82478%0.775SS**SBendtrans-66.3-15.8179.4-176.70000112.2P57P57-V59 PolarHBondContact O-N 3.42Å
60F66.3Low59Low168 Ų168138.2 Ų138.274%0.73778%0.777SS**SBendtrans-120.6125.2172.9-68.2-81.7000110.4P58 S62P58-F60 PolarHBondContact O-N 3.32Å; F60-S62 PolarHBondContact O-N 3.16Å
61S60.5Low58.1Low116 Ų116137.9 Ų137.981%0.81178%0.78SS**  trans-65.291.2172.8-55.60000110.5S63S61-S63 PolarHBondContact O-N 3.38Å
62S49.9Very low58Low98 Ų98136 Ų13669%0.68577%0.769SS**  trans-7465.6174.1-66.80000111.3F60 W64F60-S62 PolarHBondContact O-N 3.16Å; S62-W64 PolarHBondContact O-N 3.4Å
63S57.5Low57.2Low96 Ų96139.4 Ų139.467%0.67178%0.78SS**  trans-77.270.6177.4640000111.5S61 S65S61-S63 PolarHBondContact O-N 3.38Å; S63-S65 PolarHBondContact O-N 3.27Å; S63-S65 VanDerWaalsContact O-N 3.17Å
64W59.6Low56.6Low243 Ų243133.3 Ų133.392%0.9277%0.772SS**  trans-83.856.2160-67.291.5000109.7S62 P66S62-W64 PolarHBondContact O-N 3.4Å; W64-P66 WeakPolarHBondContact O-CD 3.38Å
65S56.3Low55.9Low91 Ų91134.3 Ų134.364%0.63678%0.781SS**  trans-80.4117.3170.8-62.50000108.4S63 F67S63-S65 PolarHBondContact O-N 3.27Å; S63-S65 VanDerWaalsContact O-N 3.17Å; S65-F67 PolarHBondContact O-N 2.97Å
66P54.5Low55.1Low117 Ų117134 Ų13476%0.7678%0.78SS**  trans-63.2134.7166.328.1-32.3000108.3W64 S68W64-P66 WeakPolarHBondContact O-CD 3.38Å; P66-S68 PolarHBondContact O-N 3.33Å
67F49.8Very low54.3Low210 Ų210129.8 Ų129.892%0.92178%0.78SS**  trans-61.8110.7179.6-67.3-87.4000110.3S65 P69S65-F67 PolarHBondContact O-N 2.97Å; F67-P69 WeakPolarHBondContact O-CD 3.24Å
68S47.7Very low53.4Low115 Ų115130.9 Ų130.980%0.80479%0.785SS**  trans-64.3125.5168.7-71.70000109.9P66 H70P66-S68 PolarHBondContact O-N 3.33Å; S68-H70 PolarHBondContact O-N 3.38Å
69P50.9Low52.2Low124 Ų124134.6 Ų134.681%0.80579%0.786SS**  trans-75.3116.8173.830-31.7000110F67F67-P69 WeakPolarHBondContact O-CD 3.24Å
70H43.9Very low51.2Low174 Ų174137 Ų13781%0.80679%0.788SS**  trans5489.5151.2-125.9-82000118.1S68S68-H70 PolarHBondContact O-N 3.38Å
71A40.3Very low50.2Low107 Ų107133.1 Ų133.188%0.88478%0.779SS**  trans-99.2107.5150.500000108.6
72S51.5Low49.3Very low85 Ų85137.7 Ų137.759%0.59478%0.78SS**  trans-76.5126.9173500000110.8
73N43.2Very low49.1Very low169 Ų169141 Ų14190%0.90479%0.788SS**  trans172.5135.6136-86.4-15.4000111.5
74G45.9Very low48.5Very low69 Ų69141 Ų14171%0.71179%0.786SS**  trans11745.2143.600000122.8
75L51.3Low47.9Very low173 Ų173135.8 Ų135.891%0.90678%0.782SS**  trans66.1168.7149.8-54177.5000119.6
76P47.7Very low47.5Very low117 Ų117139.8 Ų139.876%0.7679%0.79SS**  cis-118172.8-32.332.2-15.8000112.9
77A54Low47.1Very low101 Ų101139.5 Ų139.584%0.83579%0.788SS**  trans-71.2138.2-17500000114.7
78V47.5Very low47.4Very low133 Ų133135.6 Ų135.681%0.80678%0.782SS**  trans-125.1101.1159.9-178.80000109.4
79Y46.6Very low47.4Very low185 Ų185135.2 Ų135.273%0.72578%0.776SS**  trans34.8105.3148.9-158-93.6000119.9P81Y79-P81 HydrophobicContact CE1-CG 4.06Å
80H50.3Low47.3Very low186 Ų186133.8 Ų133.886%0.86177%0.769SS**  trans-136.7128145.4-81.8-68.9000110.5
81P46Very low47.8Very low86 Ų86130.6 Ų130.656%0.55876%0.762SS**  trans-88.2143.9-177.134.3-33.4000112.5Y79Y79-P81 HydrophobicContact CE1-CG 4.06Å
82Y40.1Very low48.3Very low213 Ų213131.7 Ų131.784%0.83575%0.753SS**  trans53.3100.7158.1-143.4-94.8000117.8P84Y82-P84 HydrophobicContact CD1-CG 4.33Å; Y82-P84 WeakPolarHBondContact O-CD 3.35Å
83I45.8Very low48.2Very low166 Ų166131.9 Ų131.985%0.85175%0.751SS**PPolyproline II helixtrans-91.5116.7163.5-63.8178.8000108.8
84P45.3Very low48.9Very low96 Ų96132.6 Ų132.662%0.62374%0.741SS**PPolyproline II helixtrans-71.4157.9168.7-16.331.9000112.3Y82Y82-P84 HydrophobicContact CD1-CG 4.33Å; Y82-P84 WeakPolarHBondContact O-CD 3.35Å
85T47.6Very low49.5Very low135 Ų135138.1 Ų138.183%0.82874%0.741SS**PPolyproline II helixtrans-53.9142.5-17647.90000115.7
86Q47.3Very low50Low175 Ų175135.6 Ų135.682%0.81873%0.728SS**  trans-42.3137.3165.9-71.1-85.14.200114.4
87P46.8Very low50.4Low110 Ų110139.1 Ų139.171%0.71473%0.726SS**  trans-106.5136.3147.933.6-25.1000111.4
88V56.5Low50.4Low129 Ų129138.8 Ų138.878%0.78271%0.713SS**  trans-47132177.7-179.30000112.4S90V88-S90 PolarHBondContact O-N 3.2Å
89P46.5Very low51.1Low106 Ų106142.2 Ų142.269%0.68871%0.712SS**  trans-71.4115.6172.428.4-32.7000110.8
90S49.9Very low51.8Low95 Ų95140.2 Ų140.266%0.66471%0.713SS**  trans-57152.1174.4-60.30000112.8V88 D92 T93V88-S90 PolarHBondContact O-N 3.2Å; S90-D92 PolarHBondContact O-N 3.15Å; S90-T93 PolarHBondContact O-OG1 2.85Å
91T52.9Low52Low107 Ų107137.2 Ų137.266%0.65670%0.704SS**G310 helixtrans-57.8-9.2-169.4-25.70000116.5
92D50.9Low51.8Low129 Ų129139.7 Ų139.769%0.6972%0.721SS**G310 helixtrans-84.6-22-167.7-149.618.1000113.6S90 R94S90-D92 PolarHBondContact O-N 3.15Å; D92-R94 PolarHBondContact O-N 3.44Å
93T51Low52.1Low89 Ų89133 Ų13355%0.54671%0.71SS.*G310 helixtrans-69.8-3.6179.8420000115S90 Y95S90-T93 PolarHBondContact O-OG1 2.85Å; T93-Y95 VanDerWaalsContact C-N 3.31Å; T93-Y95 PolarHBondContact O-N 3.34Å
94R57.3Low52.1Low185 Ų185131.2 Ų131.270%0.69871%0.709SS**G310 helixtrans-68.4-24.8178.8-73.9-163.4-73.4-151.83.1113.9D92 T98D92-R94 PolarHBondContact O-N 3.44Å; R94-T98 PolarHBondContact O-OG1 3.14Å
95Y58Low52.2Low184 Ų184138.6 Ų138.672%0.72272%0.724SS**THydrogen-bonded Turntrans-78.9-24.1-179.3-75.6-76.6000114.7T93 R97T93-Y95 VanDerWaalsContact C-N 3.31Å; T93-Y95 PolarHBondContact O-N 3.34Å; Y95-R97 PolarHBondContact O-N 3.26Å
96I61Low52Low120 Ų120137 Ų13762%0.61572%0.719SS**THydrogen-bonded Turntrans-78.7-5.6-176.2-51.5-64000112.6W99I96-W99 PolarHBondContact O-NE1 2.61Å
97R56.8Low51.4Low192 Ų192136.8 Ų136.873%0.72572%0.718SS**SBendtrans-118.5-6.6-176.3-66.7-175.9177.6-119.90.7114.9Y95 W99 L100Y95-R97 PolarHBondContact O-N 3.26Å; R97-W99 PolarHBondContact O-N 3.37Å; R97-W99 VanDerWaalsContact O-N 3.16Å; R97-L100 PolarHBondContact O-N 3.01Å
98T55.1Low50.9Low93 Ų93136 Ų13657%0.57172%0.716SS**G310 helixtrans-63.6-22-173.3-49.90000114.5R94 L100R94-T98 PolarHBondContact O-OG1 3.14Å; T98-L100 VanDerWaalsContact C-N 3.28Å; T98-L100 PolarHBondContact O-N 3.05Å
99W60.5Low50.2Low205 Ų205137.8 Ų137.878%0.77772%0.719SS**G310 helixtrans-77.7-4.2178.352.331.2000115.3I96 R97I96-W99 PolarHBondContact O-NE1 2.61Å; R97-W99 PolarHBondContact O-N 3.37Å; R97-W99 VanDerWaalsContact O-N 3.16Å
100L62.1Low50.1Low143 Ų143138.8 Ų138.875%0.74973%0.726SS**G310 helixtrans-97.8-10.9-178.4-86.7160.5000113.1R97 T98R97-L100 PolarHBondContact O-N 3.01Å; T98-L100 VanDerWaalsContact C-N 3.28Å; T98-L100 PolarHBondContact O-N 3.05Å
101D54.8Low49.3Very low124 Ų124137.6 Ų137.666%0.66373%0.728SS**  trans-112.1104.1-179.2-158.1-89.5000110.9
102C40.9Very low48.9Very low137 Ų137142.3 Ų142.393%0.92674%0.743SS**  trans-120.381.2168.1-86.70000108
103A47.8Very low48.2Very low72 Ų72139.7 Ų139.760%0.59575%0.747SS**  trans-124.3152.5172.200000111.4
104P45.8Very low47.8Very low130 Ų130145.3 Ų145.384%0.84477%0.767SS**  trans-89.1174.3-161.635.7-37.1000115.5
105R47.5Very low47Very low250 Ų250142.9 Ų142.994%0.94377%0.772SS**  trans-77.1114-166.9-177.5-172.5-165.1-119.16.7115.6
106S42.9Very low46Very low102 Ų102142.2 Ų142.271%0.71377%0.773SS**  trans-165.9139.9154.236.90000106.2
107E33.6Very low45Very low170 Ų170145.1 Ų145.179%0.79479%0.786SS**  cis-164.3169.930.8-128.1175.2100.100112
108S37.3Very low44.2Very low95 Ų95141.4 Ų141.466%0.66478%0.777SS**  trans49.1116.9142.6-55.90000123.1
109L42.1Very low43.5Very low165 Ų165142.8 Ų142.886%0.86479%0.788SS**  trans-60.7155157.9-116.883.8000111.8
110P44.8Very low42.6Very low128 Ų128139.8 Ų139.883%0.83179%0.786SS**  -146168.294.439.3-25000115
111G33.1Very low41.4Very low69 Ų69140.3 Ų140.371%0.71179%0.789SS**  trans117.387.2157.300000117.1
112Q42.9Very low40.5Very low207 Ų207138 Ų13897%0.96779%0.794SS**  trans11.5122.5153.2-59.6-170.9-54.200120.8
113G36.9Very low40.4Very low74 Ų74139.2 Ų139.276%0.76379%0.786SS**  trans-162.7104.5155.400000110.2V115G113-V115 PolarHBondContact O-N 3.29Å
114Q42.2Very low39.8Very low206 Ų206143.1 Ų143.196%0.96380%0.796SS**  trans-71.6117.6174.8-75.5-173.4-63.400110.2
115V40.3Very low39.2Very low135 Ų135140.7 Ų140.782%0.81879%0.794SS**  trans-130.298.6157.5-164.50000108.2G113 M117G113-V115 PolarHBondContact O-N 3.29Å; V115-M117 PolarHBondContact O-N 2.72Å; V115-M117 VanDerWaalsContact O-N 3.14Å
116K37.5Very low38.7Very low169 Ų169137.5 Ų137.574%0.73579%0.79SS**  trans-72.597.5174.7-179.7-165.8176.9-159.10108.6E118K116-E118 WeakPolarHBondContact CE-OE2 3.18Å; K116-E118 IonicContact NZ-OE2 3.35Å; K116-E118 PolarHBondContact NZ-OE2 2.75Å
117M40.7Very low38.9Very low182 Ų182137.2 Ų137.290%0.89779%0.786SS**  trans-93.295.3164.263.7-175.4-134.900109.7V115V115-M117 PolarHBondContact O-N 2.72Å; V115-M117 VanDerWaalsContact O-N 3.14Å
118E39.3Very low39.3Very low114 Ų114135.4 Ų135.453%0.53379%0.789SS.*  trans-80124.1176.7-178.2178.5107.900109.9K116 L120K116-E118 WeakPolarHBondContact CE-OE2 3.18Å; K116-E118 IonicContact NZ-OE2 3.35Å; K116-E118 PolarHBondContact NZ-OE2 2.75Å; E118-L120 PolarHBondContact O-N 2.7Å
119P39.7Very low39.5Very low122 Ų122139.4 Ų139.479%0.79279%0.794SS**  trans-79.9100.5167.231.2-28.8000108.2L121P119-L121 PolarHBondContact O-N 3.13Å
120L41.5Very low39.1Very low141 Ų141139.7 Ų139.774%0.73880%0.795SS**  trans-70.4104.1-177.5-144.1-174.6000110.4E118 G122E118-L120 PolarHBondContact O-N 2.7Å; L120-G122 PolarHBondContact O-N 2.69Å; L120-G122 VanDerWaalsContact O-N 3.16Å
121L37.3Very low38.5Very low155 Ų155137.1 Ų137.181%0.81279%0.792SS**  trans-71.397.6173.6-175.373.2000109.8P119P119-L121 PolarHBondContact O-N 3.13Å
122G35.7Very low38.5Very low75 Ų75137.3 Ų137.377%0.77379%0.793SS**  trans-74.4123.917200000111.5L120L120-G122 PolarHBondContact O-N 2.69Å; L120-G122 VanDerWaalsContact O-N 3.16Å
123H40.3Very low38.4Very low163 Ų163136.5 Ų136.576%0.75579%0.789SS**  trans-119139.2-178.3-171.549000112.3
124L35.1Very low38.4Very low154 Ų154140.5 Ų140.581%0.80679%0.788SS**  trans67.4121.7158.1-138.276.4000120
125G32.7Very low38.1Very low78 Ų78141.3 Ų141.380%0.80478%0.784SS**  trans-163.7121.516300000109.5
126E37.1Very low38.2Very low184 Ų184141.5 Ų141.586%0.8678%0.779SS**PPolyproline II helixtrans-76.7166.6-172-109.8-155.5102.700114.8
127P47.8Very low38Very low96 Ų96141 Ų14162%0.62378%0.783SS**PPolyproline II helixtrans-95.3148.3-177.137.2-32.6000114
128P40.2Very low37.8Very low131 Ų131139.8 Ų139.885%0.85178%0.776SS**PPolyproline II helixtrans-85.6141.7159.1-7.226000111.5
129K42.4Very low37.6Very low180 Ų180140.6 Ų140.678%0.78379%0.794SS**  trans-105.3162.7174.2-68.1-178.7176.2175.40111.8
130I33.3Very low37.4Very low170 Ų170140.1 Ų140.187%0.87279%0.793SS**  trans80.6137.2154-64.2140.9000117.7
131G31.7Very low36.9Very low75 Ų75137.4 Ų137.477%0.77379%0.786SS**  trans113.184.4-178.600000110.7
132G34.4Very low36.8Very low72 Ų72134.6 Ų134.674%0.74279%0.785SS**  cis98.377.331.900000109.2
133H39.5Very low37.2Very low191 Ų191141.6 Ų141.688%0.88479%0.788SS**  trans-147.6129.5158.1-130.2-77.2000111.6
134E37.2Very low37Very low158 Ų158142.9 Ų142.974%0.73880%0.795SS**  trans-89.2135.7-178.4-172.9-177.1153.400109.4
135Y36.5Very low37.1Very low223 Ų223144.5 Ų144.588%0.87580%0.8SS**  trans-149.8120.9144.866.3-88.1000110.2
136I42.2Very low37.2Very low138 Ų138147.8 Ų147.871%0.70880%0.8SS**  trans-99.3127.3170.8-68.5164.6000106.9
137L34Very low36.9Very low159 Ų159143.7 Ų143.783%0.83279%0.791SS**  trans-155.3140.9142.3-159.760.1000111.6
138E35.2Very low36.4Very low157 Ų157143.2 Ų143.273%0.73479%0.79SS**  trans-75.5153.1-172.8-56162.691.400113.9
139S35.4Very low36.4Very low130 Ų130146.5 Ų146.591%0.90979%0.794SS**  -163.6147.5120.8-110.60000114.2
140S36.8Very low36Very low112 Ų112141.5 Ų141.578%0.78379%0.793SS**  trans-101148.4-167.1-55.80000113.2
141S31Very low36.2Very low84 Ų84139.2 Ų139.259%0.58779%0.793SS**  trans-167.895.4132.2-171.20000110.5R143S141-R143 PolarHBondContact OG-NE 2.86Å
142A35.4Very low36.7Very low96 Ų96139 Ų13979%0.79379%0.791SS**  trans-66.9139156.300000109.2
143R42.7Very low37Very low223 Ų223143.8 Ų143.884%0.84279%0.791SS**  trans-144.187.2164.3-63.2-170.8-171.1-143.9-1.4108.5S141S141-R143 PolarHBondContact OG-NE 2.86Å
144E36.4Very low37.3Very low190 Ų190143 Ų14389%0.88879%0.788SS**  trans-68.4136.3164.1-61.7-170.6107.200109
145M38.2Very low37.7Very low187 Ų187141.8 Ų141.892%0.92179%0.786SS**  trans-135.284.2161.8-166.18589.500108.5
146N33.7Very low38.2Very low148 Ų148137.6 Ų137.679%0.79178%0.779SS**  trans-70.6124.8160.2169.535.4000109
147S31.7Very low38.6Very low97 Ų97139.1 Ų139.168%0.67878%0.781SS**  trans-174.6112.2135.9-160.90000113.1
148S35.9Very low39.4Very low87 Ų87138.5 Ų138.561%0.60878%0.778SS**  61.1126.8127.5-43.90000123.5
149Q41.7Very low40.3Very low199 Ų199138.2 Ų138.293%0.9378%0.78SS**  trans67.6106.3138.5-74.7178.5-37.500121.2
150G32.8Very low41Very low75 Ų75135.5 Ų135.577%0.77376%0.761SS**  trans-155.780.5147.900000108
151S38.4Very low41.3Very low122 Ų122139.5 Ų139.585%0.85377%0.767SS**  67.690.191.2-1760000113.7
152G42.7Very low42Very low71 Ų71141.6 Ų141.673%0.73278%0.776SS**  trans47.6103143.500000119.4
153F39.1Very low42.4Very low172 Ų172141.7 Ų141.775%0.75477%0.771SS**  trans-143.181.3142.6-166.9-101.6000109.2N156F153-N156 HydrophobicContact CE1-CB 4.24Å; F153-N156 HydrophobicContact CZ-CB 4.21Å; F153-N156 VanDerWaalsContact CZ-ND2 3.28Å; F153-N156 WeakPolarHBondContact CZ-ND2 3Å
154E47.1Very low42.8Very low175 Ų175140.5 Ų140.582%0.81878%0.775SS**  trans-69.4154.7170.9-66.9178.6109.200110.7
155D44Very low43.1Very low132 Ų132138.6 Ų138.671%0.70677%0.771SS**  trans-8.5114.7179.2-76.6-113000118.6K157D155-K157 HydrophobicContact CB-CB 4.21Å; D155-K157 WeakPolarHBondContact OD1-CB 3.37Å
156N47.6Very low44Very low135 Ų135139 Ų13972%0.72277%0.767SS**  trans-105.964.7147-89.6-118.3000108.9F153 D158F153-N156 HydrophobicContact CE1-CB 4.24Å; F153-N156 HydrophobicContact CZ-CB 4.21Å; F153-N156 VanDerWaalsContact CZ-ND2 3.28Å; F153-N156 WeakPolarHBondContact CZ-ND2 3Å; N156-D158 VanDerWaalsContact C-N 3.27Å; N156-D158 PolarHBondContact O-N 3.46Å
157K51.7Low44.7Very low171 Ų171139.7 Ų139.774%0.74377%0.771SS**  trans-92.939.8179.4-167.8-138.8170.4-173.90112D155D155-K157 HydrophobicContact CB-CB 4.21Å; D155-K157 WeakPolarHBondContact OD1-CB 3.37Å
158D49.6Very low45.8Very low146 Ų146138.8 Ų138.878%0.78178%0.777SS**  trans-142.791.8177.1-97-62.5000111.2N156N156-D158 VanDerWaalsContact C-N 3.27Å; N156-D158 PolarHBondContact O-N 3.46Å
159I54.3Low46.8Very low150 Ų150139.7 Ų139.777%0.76978%0.78SS**SBendtrans-154.8115.8153.6-109.7157.2000108.7
160C51.1Low47.4Very low74 Ų74136.8 Ų136.850%0.577%0.772SS.*  trans78.848.7173.6-52.10000119
161E43.1Very low48.8Very low196 Ų196142.2 Ų142.292%0.91678%0.777SS**  -81.2131.3127.2-70.6-139.111800108.2
162V44.5Very low49.8Very low127 Ų127143.1 Ų143.177%0.7777%0.772SS**  trans-127.4124.7171.9158.60000105.1E164V162-E164 PolarHBondContact O-N 2.65Å
163S44.7Very low50.8Low99 Ų99143.7 Ų143.769%0.69276%0.758SS**  trans-52.1135179.5-48.70000111.8D165S163-D165 PolarHBondContact O-N 3.35Å; S163-D165 VanDerWaalsContact O-N 3.12Å
164E50.3Low51.9Low197 Ų197140.5 Ų140.592%0.92176%0.755SS**  trans-80.482171.9-66.3-178.1106.600110.1V162V162-E164 PolarHBondContact O-N 2.65Å
165D42.5Very low52.6Low151 Ų151135.9 Ų135.981%0.80774%0.742SS**  trans-87.7125165.1-82.7-65.4000110.5S163S163-D165 PolarHBondContact O-N 3.35Å; S163-D165 VanDerWaalsContact O-N 3.12Å
166K58.3Low53.2Low195 Ų195130.7 Ų130.785%0.84872%0.717SS**  trans-67.8135.6179.6-66.5172.6174.6175.60110.5
167D48.4Very low53.7Low163 Ų163129.4 Ų129.487%0.87271%0.71SS**  -162.5137.1124.3-101.8-38.6000110.6
168G54.6Low54.2Low77 Ų77131 Ų13179%0.79471%0.712SS**PPolyproline II helixtrans-102120.8-174.200000112.5
169P56.1Low54.8Low106 Ų106130.4 Ų130.469%0.68871%0.708SS**PPolyproline II helixtrans-90148.3171.733.5-30.8000112.5
170D55.3Low55.2Low139 Ų139128.6 Ų128.674%0.74370%0.696SS**PPolyproline II helixtrans-56.6138.6-175.4-166.6-16.8000113.9N172D170-N172 PolarHBondContact O-N 2.43Å; D170-N172 PolarHBondContact OD1-ND2 3.25Å; D170-N172 VanDerWaalsContact OD1-ND2 3.07Å
171Q61.8Low55.6Low188 Ų188126.8 Ų126.888%0.87969%0.687SS**SBendtrans-9346.6-173.2-64.8-172.3-200113.6
172N59.3Low56.4Low141 Ų141127.4 Ų127.475%0.75468%0.68SS**  trans-135.122.6-175.4-75.1-74.1000117D170D170-N172 PolarHBondContact O-N 2.43Å; D170-N172 PolarHBondContact OD1-ND2 3.25Å; D170-N172 VanDerWaalsContact OD1-ND2 3.07Å
173D64.4Low57.3Low84 Ų84126.1 Ų126.145%0.44968%0.677SS.*  trans-124.7113.5166.5179.915.8000112.6S175 A176D173-S175 PolarHBondContact O-N 3.28Å; D173-S175 WeakPolarHBondContact OD1-CA 3.14Å; D173-S175 WeakPolarHBondContact OD1-CB 3.34Å; D173-S175 PolarHBondContact OD1-N 3.4Å; D173-S175 PolarHBondContact OD1-OG 3.11Å; D173-A176 HydrophobicContact CB-CB 3.96Å; D173-A176 WeakPolarHBondContact OD2-CB 3.38Å; D173-A176 PolarHBondContact OD2-N 2.93Å; D173-A176 VanDerWaalsContact OD2-N 3.13Å
174P62.3Low58.5Low105 Ų105126.3 Ų126.368%0.68268%0.678SS**THydrogen-bonded Turntrans-67.6-17.8175.829.1-35.5000113.7
175S59.9Low59.8Low77 Ų77125.5 Ų125.554%0.53867%0.667SS.*THydrogen-bonded Turntrans-78.4-44.3179.9-34.70000111.1D173 N177 W178D173-S175 PolarHBondContact O-N 3.28Å; D173-S175 WeakPolarHBondContact OD1-CA 3.14Å; D173-S175 WeakPolarHBondContact OD1-CB 3.34Å; D173-S175 PolarHBondContact OD1-N 3.4Å; D173-S175 PolarHBondContact OD1-OG 3.11Å; S175-N177 PolarHBondContact O-N 3.03Å; S175-N177 VanDerWaalsContact O-N 3.16Å; S175-W178 PolarHBondContact O-N 3.5Å; S175-W178 VanDerWaalsContact O-N 3.09Å
176A57.4Low61.6Low23 Ų23127 Ų12719%0.1967%0.666CS.*Hα-helixtrans-53.5-33.4174.700000112.5D173 W178 L179 H180D173-A176 HydrophobicContact CB-CB 3.96Å; D173-A176 WeakPolarHBondContact OD2-CB 3.38Å; D173-A176 PolarHBondContact OD2-N 2.93Å; D173-A176 VanDerWaalsContact OD2-N 3.13Å; A176-W178 VanDerWaalsContact C-N 3.26Å; A176-W178 PolarHBondContact O-N 3.42Å; A176-L179 PolarHBondContact O-N 3.17Å; A176-L179 VanDerWaalsContact O-N 3.13Å; A176-H180 WeakPolarHBondContact O-CB 3.22Å; A176-H180 PolarHBondContact O-CD2 3.04Å; A176-H180 PolarHBondContact O-N 3.3Å
177N58.8Low63Low108 Ų108126.5 Ų126.558%0.57866%0.664SS**Hα-helixtrans-56.1-34.5177.4-16926.4000113.3S175 A181S175-N177 PolarHBondContact O-N 3.03Å; S175-N177 VanDerWaalsContact O-N 3.16Å; N177-A181 WeakPolarHBondContact O-CA 3.11Å; N177-A181 WeakPolarHBondContact O-CB 3.36Å; N177-A181 PolarHBondContact O-N 3.22Å
178W61.7Low65Low206 Ų206129.7 Ų129.778%0.7866%0.664SS**Hα-helixtrans-73.7-32.7178.9-72.486.8000113.4S175 A176S175-W178 PolarHBondContact O-N 3.5Å; S175-W178 VanDerWaalsContact O-N 3.09Å; A176-W178 VanDerWaalsContact C-N 3.26Å; A176-W178 PolarHBondContact O-N 3.42Å
179L62.9Low66.8Low133 Ų133129.2 Ų129.270%0.69665%0.648SS**Hα-helixtrans-77-43.5175.8-61.8175.2000110.3A176 R182A176-L179 PolarHBondContact O-N 3.17Å; A176-L179 VanDerWaalsContact O-N 3.13Å; L179-R182 PolarHBondContact O-N 3.29Å
180H61Low68.7Low111 Ų111130 Ų13051%0.51465%0.652SS.*Hα-helixtrans-75.3-26178.5-61.5-53.2000114.1A176 R182 S183 S184A176-H180 WeakPolarHBondContact O-CB 3.22Å; A176-H180 PolarHBondContact O-CD2 3.04Å; A176-H180 PolarHBondContact O-N 3.3Å; H180-R182 PolarHBondContact O-N 3.11Å; H180-R182 VanDerWaalsContact O-N 3.16Å; H180-S183 CarbonylContact O-C 3.58Å; H180-S183 WeakPolarHBondContact O-CA 3.35Å; H180-S183 WeakPolarHBondContact O-CB 3.32Å; H180-S183 PolarHBondContact O-N 3.11Å; H180-S184 PolarHBondContact O-N 3.39Å
181A59.3Low70.8Confident37 Ų37126.4 Ų126.431%0.30663%0.629SS.*Hα-helixtrans-66-13.8173.400000114N177N177-A181 WeakPolarHBondContact O-CA 3.11Å; N177-A181 WeakPolarHBondContact O-CB 3.36Å; N177-A181 PolarHBondContact O-N 3.22Å
182R60.3Low72.5Confident209 Ų209121.1 Ų121.179%0.78961%0.61SS**Hα-helixtrans-83.2-28.2167-56-174.594.4-179.67.4111.8L179 H180L179-R182 PolarHBondContact O-N 3.29Å; H180-R182 PolarHBondContact O-N 3.11Å; H180-R182 VanDerWaalsContact O-N 3.16Å
183S64.5Low74.4Confident99 Ų99123.2 Ų123.269%0.69261%0.612SS**Hα-helixtrans-83.2-43.2-179.2-160.80000113H180 R185H180-S183 CarbonylContact O-C 3.58Å; H180-S183 WeakPolarHBondContact O-CA 3.35Å; H180-S183 WeakPolarHBondContact O-CB 3.32Å; H180-S183 PolarHBondContact O-N 3.11Å; S183-R185 PolarHBondContact O-N 3.05Å; S183-R185 VanDerWaalsContact O-N 3.09Å
184S69.5Low76Confident104 Ų104125.6 Ų125.673%0.72762%0.616SS**SBendtrans-69.1-7.4178.870.40000114.2H180 K186H180-S184 PolarHBondContact O-N 3.39Å; S184-K186 PolarHBondContact O-N 2.93Å
185R76.7Confident77.7Confident180 Ų180121.9 Ų121.968%0.67959%0.589SS**SBendtrans-78.5112.5176.9-171.2176.8-59.7177.42.7110S183 K187S183-R185 PolarHBondContact O-N 3.05Å; S183-R185 VanDerWaalsContact O-N 3.09Å; R185-K187 PolarHBondContact O-N 2.89Å; R185-K187 VanDerWaalsContact O-N 3.16Å
186K81.6Confident79.6Confident183 Ų183120.5 Ų120.580%0.79658%0.577SS**  trans-28.5116.4171.3-168.581.9164-179.80111.5S184 R188S184-K186 PolarHBondContact O-N 2.93Å; K186-R188 PolarHBondContact O-N 2.95Å
187K86.6Confident81.5Confident183 Ų183124.6 Ų124.680%0.79660%0.596SS**PPolyproline II helixtrans-48.5132.5-179.9-176.1179.6178.8-178.20109.9R185 C189R185-K187 PolarHBondContact O-N 2.89Å; R185-K187 VanDerWaalsContact O-N 3.16Å; K187-C189 PolarHBondContact O-N 2.99Å
188R91.1Very high83.4Confident230 Ų230121.6 Ų121.687%0.86858%0.578SS**PPolyproline II helixtrans-68.3120.7178.1-74.9-176171179-2.7109.8K186K186-R188 PolarHBondContact O-N 2.95Å
189C92.8Very high85.2Confident68 Ų68111.8 Ų111.846%0.45954%0.541SS..PPolyproline II helixtrans-91.6123.4166.4-57.40000107.9K187K187-C189 PolarHBondContact O-N 2.99Å
190P96.4Very high86.9Confident121 Ų121108.7 Ų108.779%0.78652%0.523SS*.PPolyproline II helixtrans-67.5150.2171.330.1-33.7000109.9
191Y98.3Very high88.7Confident65 Ų65108.7 Ų108.726%0.25552%0.522SS..PPolyproline II helixtrans-76.6150.2173.1-59.5-17.7000110.2L199 L223 Q227 W231Y191-L199 HydrophobicContact CD2-CD1 3.93Å; Y191-L199 HydrophobicContact CE2-CD1 4.11Å; Y191-L223 HydrophobicContact CD1-CD2 4.21Å; Y191-L223 HydrophobicContact CE1-CD2 4.06Å; Y191-L223 HydrophobicContact CE2-CD1 4.42Å; Y191-Q227 WeakPolarHBondContact OH-CB 3.39Å; Y191-W231 AromaticContact CD2-CD1 3.83Å; Y191-W231 HydrophobicContact CE2-CB 4.14Å; Y191-W231 AromaticContact CE2-CD1 3.56Å; Y191-W231 HydrophobicContact CE2-CG 4.13Å
192T98.6Very high90.6Very high76 Ų76107.6 Ų107.647%0.46651%0.51SS..PPolyproline II helixtrans-68165.317773.20000111.1Y194 Q195 T196T192-Y194 VanDerWaalsContact C-N 3.31Å; T192-Y194 PolarHBondContact O-N 3.39Å; T192-Q195 PolarHBondContact O-N 3.26Å; T192-Q195 WeakPolarHBondContact OG1-CG 3.37Å; T192-Q195 PolarHBondContact OG1-N 3.24Å; T192-Q195 VanDerWaalsContact OG1-N 3.15Å; T192-T196 PolarHBondContact O-N 3.16Å; T192-T196 PolarHBondContact O-OG1 3.34Å
193K98.3Very high92.4Very high185 Ų18597.9 Ų97.980%0.80447%0.474SS*.Hα-helixtrans-57.7-45.6173.9-65.9-175.5-179.5178.90111T196 L197K193-T196 PolarHBondContact O-N 3.38Å; K193-L197 WeakPolarHBondContact O-CG 3.36Å; K193-L197 PolarHBondContact O-N 3.09Å
194Y98.4Very high94Very high134 Ų134100 Ų10053%0.52548%0.476SS..Hα-helixtrans-59.1-50.5176.9174.7-106.6000112.5T192 T196 L197 E198 L221T192-Y194 VanDerWaalsContact C-N 3.31Å; T192-Y194 PolarHBondContact O-N 3.39Å; Y194-T196 VanDerWaalsContact C-N 3.26Å; Y194-T196 PolarHBondContact O-N 2.71Å; Y194-L197 PolarHBondContact O-N 3.17Å; Y194-E198 HydrophobicContact CD2-CG 4.25Å; Y194-E198 HydrophobicContact CE1-CG 4.44Å; Y194-E198 HydrophobicContact CE2-CG 3.7Å; Y194-E198 PolarHBondContact O-N 2.89Å; Y194-L221 HydrophobicContact CD1-CD2 4.29Å; Y194-L221 HydrophobicContact CE1-CD2 3.7Å
195Q98.6Very high95.4Very high28 Ų28102.8 Ų102.813%0.13148%0.476CS..Hα-helixtrans-57-41176.3-73.4173.6-2900111.8T192 L199 L221T192-Q195 PolarHBondContact O-N 3.26Å; T192-Q195 WeakPolarHBondContact OG1-CG 3.37Å; T192-Q195 PolarHBondContact OG1-N 3.24Å; T192-Q195 VanDerWaalsContact OG1-N 3.15Å; Q195-L199 WeakPolarHBondContact O-CB 3.39Å; Q195-L199 WeakPolarHBondContact O-CD1 3.38Å; Q195-L199 WeakPolarHBondContact O-CG 3.33Å; Q195-L199 PolarHBondContact O-N 3.08Å; Q195-L199 VanDerWaalsContact O-N 3.11Å; Q195-L221 HydrophobicContact CG-CB 4.29Å; Q195-L221 PolarHBondContact NE2-O 3.41Å
196T98.6Very high96.4Very high47 Ų4797.5 Ų97.529%0.28846%0.461SS..Hα-helixtrans-66.9-44.4179.2-55.20000111.8T192 K193 Y194 L199 E200T192-T196 PolarHBondContact O-N 3.16Å; T192-T196 PolarHBondContact O-OG1 3.34Å; K193-T196 PolarHBondContact O-N 3.38Å; Y194-T196 VanDerWaalsContact C-N 3.26Å; Y194-T196 PolarHBondContact O-N 2.71Å; T196-L199 PolarHBondContact O-N 3.31Å; T196-E200 WeakPolarHBondContact O-CG 3.38Å; T196-E200 PolarHBondContact O-N 2.88Å
197L98.6Very high97.1Very high110 Ų11091.7 Ų91.758%0.57644%0.437SS*.Hα-helixtrans-63.8-46.4179.8-72.6171.3000112.4K193 Y194 L199 E200 K201K193-L197 WeakPolarHBondContact O-CG 3.36Å; K193-L197 PolarHBondContact O-N 3.09Å; Y194-L197 PolarHBondContact O-N 3.17Å; L197-L199 PolarHBondContact O-N 3.07Å; L197-E200 PolarHBondContact O-N 3.36Å; L197-K201 WeakPolarHBondContact O-CB 3.39Å; L197-K201 PolarHBondContact O-N 2.93Å
198E98.6Very high97.7Very high44 Ų4489.9 Ų89.921%0.20643%0.427CS..Hα-helixtrans-67-37178.2-72.5-65.3120.600111.8Y194 E200 K201 E202 L221Y194-E198 HydrophobicContact CD2-CG 4.25Å; Y194-E198 HydrophobicContact CE1-CG 4.44Å; Y194-E198 HydrophobicContact CE2-CG 3.7Å; Y194-E198 PolarHBondContact O-N 2.89Å; E198-E200 VanDerWaalsContact C-N 3.33Å; E198-E200 PolarHBondContact O-N 2.85Å; E198-K201 PolarHBondContact O-N 3.16Å; E198-K201 WeakPolarHBondContact OE1-CD 3.46Å; E198-K201 IonicContact OE1-NZ 3.85Å; E198-K201 PolarHBondContact OE1-NZ 3.33Å; E198-K201 IonicContact OE2-NZ 2.75Å; E198-K201 PolarHBondContact OE2-NZ 3.03Å; E198-E202 WeakPolarHBondContact O-CB 3.44Å; E198-E202 VanDerWaalsContact O-CG 3.3Å; E198-E202 WeakPolarHBondContact O-CG 3.3Å; E198-E202 PolarHBondContact O-N 3.21Å; E198-L221 HydrophobicContact CB-CD1 4.06Å; E198-L221 HydrophobicContact CB-CD2 3.64Å; E198-L221 HydrophobicContact CB-CG 4.44Å; E198-L221 HydrophobicContact CG-CD2 4.02Å
199L98.8Very high98Very high0 Ų080.2 Ų80.20%039%0.392CS..Hα-helixtrans-62.8-37.4171.8-73.8168000112.5Y191 Q195 T196 L197 F203 V217 L221 L223 V228 W231 F232Y191-L199 HydrophobicContact CD2-CD1 3.93Å; Y191-L199 HydrophobicContact CE2-CD1 4.11Å; Q195-L199 WeakPolarHBondContact O-CB 3.39Å; Q195-L199 WeakPolarHBondContact O-CD1 3.38Å; Q195-L199 WeakPolarHBondContact O-CG 3.33Å; Q195-L199 PolarHBondContact O-N 3.08Å; Q195-L199 VanDerWaalsContact O-N 3.11Å; T196-L199 PolarHBondContact O-N 3.31Å; L197-L199 PolarHBondContact O-N 3.07Å; L199-F203 WeakPolarHBondContact O-CB 3.38Å; L199-F203 PolarHBondContact O-N 2.89Å; L199-V217 HydrophobicContact CD2-CG1 4.02Å; L199-L221 HydrophobicContact CD1-CD1 4.47Å; L199-L221 HydrophobicContact CD2-CD1 3.96Å; L199-L221 HydrophobicContact CG-CD1 3.7Å; L199-L223 HydrophobicContact CD1-CD1 4.11Å; L199-V228 HydrophobicContact CD2-CG1 4.13Å; L199-W231 VanDerWaalsContact C-CH2 3.41Å; L199-W231 HydrophobicContact CB-CD2 3.88Å; L199-W231 HydrophobicContact CB-CE3 3.85Å; L199-W231 HydrophobicContact CB-CH2 3.72Å; L199-W231 HydrophobicContact CB-CZ2 3.71Å; L199-W231 HydrophobicContact CB-CZ3 3.79Å; L199-W231 HydrophobicContact CD1-CB 4.43Å; L199-W231 HydrophobicContact CD1-CD2 3.89Å; L199-W231 HydrophobicContact CD1-CE3 4.48Å; L199-W231 HydrophobicContact CD1-CG 3.83Å; L199-W231 HydrophobicContact CD2-CD2 4.38Å; L199-W231 HydrophobicContact CD2-CE3 4.19Å; L199-W231 HydrophobicContact CG-CD2 4.27Å; L199-W231 HydrophobicContact CG-CE3 4.4Å; L199-W231 VanDerWaalsContact O-CH2 3.27Å; L199-W231 WeakPolarHBondContact O-CH2 3.32Å; L199-W231 VanDerWaalsContact O-CZ3 3.25Å; L199-W231 WeakPolarHBondContact O-CZ3 3.14Å; L199-F232 HydrophobicContact CD2-CD2 4.5Å; L199-F232 HydrophobicContact CD2-CE2 3.98Å
200E98.7Very high98.3Very high69 Ų6980.9 Ų80.932%0.32239%0.394SS..Hα-helixtrans-70.8-41.3175.7-73.3-169159.200112.8T196 L197 E198 F203 L204 W231T196-E200 WeakPolarHBondContact O-CG 3.38Å; T196-E200 PolarHBondContact O-N 2.88Å; L197-E200 PolarHBondContact O-N 3.36Å; E198-E200 VanDerWaalsContact C-N 3.33Å; E198-E200 PolarHBondContact O-N 2.85Å; E200-F203 WeakPolarHBondContact O-CB 3.33Å; E200-F203 PolarHBondContact O-N 3.2Å; E200-L204 WeakPolarHBondContact O-CG 3.4Å; E200-L204 PolarHBondContact O-N 2.98Å; E200-W231 HydrophobicContact CB-CH2 4.47Å; E200-W231 HydrophobicContact CG-CH2 3.77Å; E200-W231 HydrophobicContact CG-CZ2 3.71Å
201K98.6Very high98.4Very high111 Ų11183.2 Ų83.248%0.48339%0.387SS..Hα-helixtrans-57.8-48.7172169.5-175.7163.2-158.60111.9L197 E198 F203 L204 F205L197-K201 WeakPolarHBondContact O-CB 3.39Å; L197-K201 PolarHBondContact O-N 2.93Å; E198-K201 PolarHBondContact O-N 3.16Å; E198-K201 WeakPolarHBondContact OE1-CD 3.46Å; E198-K201 IonicContact OE1-NZ 3.85Å; E198-K201 PolarHBondContact OE1-NZ 3.33Å; E198-K201 IonicContact OE2-NZ 2.75Å; E198-K201 PolarHBondContact OE2-NZ 3.03Å; K201-F203 VanDerWaalsContact C-N 3.3Å; K201-F203 PolarHBondContact O-N 3.02Å; K201-L204 PolarHBondContact O-N 3.25Å; K201-F205 PolarHBondContact O-N 3.41Å
202E98.5Very high98.4Very high13 Ų1384.9 Ų84.96%0.06140%0.4CS..Hα-helixtrans-62.6-36.4175.3-71.7-64.7128.700112.3E198 F205 N206 R213 V217 F232E198-E202 WeakPolarHBondContact O-CB 3.44Å; E198-E202 VanDerWaalsContact O-CG 3.3Å; E198-E202 WeakPolarHBondContact O-CG 3.3Å; E198-E202 PolarHBondContact O-N 3.21Å; E202-F205 PolarHBondContact O-N 3.42Å; E202-N206 PolarHBondContact O-N 3.45Å; E202-R213 VanDerWaalsContact CD-NH2 3.26Å; E202-R213 IonicContact OE1-CZ 3.64Å; E202-R213 IonicContact OE1-NE 3.8Å; E202-R213 IonicContact OE1-NH2 3.35Å; E202-R213 PolarHBondContact OE1-NH2 3.09Å; E202-R213 IonicContact OE2-CZ 2.61Å; E202-R213 IonicContact OE2-NE 2.72Å; E202-R213 PolarHBondContact OE2-NE 3.2Å; E202-R213 IonicContact OE2-NH2 3.66Å; E202-R213 PolarHBondContact OE2-NH2 3.16Å; E202-R213 VanDerWaalsContact OE2-NH2 3.13Å; E202-V217 HydrophobicContact CG-CG1 4.43Å; E202-V217 HydrophobicContact CG-CG2 3.76Å; E202-F232 HydrophobicContact CB-CZ 3.93Å
203F98.7Very high98.4Very high6 Ų685.3 Ų85.33%0.02639%0.394CS..Hα-helixtrans-66.8-35.5176.3-174.7-100000113.5L199 E200 K201 N206 M207 W231 F232 R235 R236L199-F203 WeakPolarHBondContact O-CB 3.38Å; L199-F203 PolarHBondContact O-N 2.89Å; E200-F203 WeakPolarHBondContact O-CB 3.33Å; E200-F203 PolarHBondContact O-N 3.2Å; K201-F203 VanDerWaalsContact C-N 3.3Å; K201-F203 PolarHBondContact O-N 3.02Å; F203-N206 CarbonylContact O-C 3.37Å; F203-M207 HydrophobicContact CD2-CB 4.38Å; F203-M207 HydrophobicContact CE1-CE 4.35Å; F203-M207 HydrophobicContact CE1-CG 4.11Å; F203-M207 HydrophobicContact CE2-CB 3.83Å; F203-M207 HydrophobicContact CE2-CE 4.41Å; F203-M207 HydrophobicContact CE2-CG 4Å; F203-M207 HydrophobicContact CZ-CB 4.09Å; F203-M207 HydrophobicContact CZ-CE 3.69Å; F203-M207 HydrophobicContact CZ-CG 3.8Å; F203-M207 PolarHBondContact O-N 2.94Å; F203-W231 HydrophobicContact CB-CH2 4.18Å; F203-W231 HydrophobicContact CB-CZ3 4Å; F203-W231 HydrophobicContact CD2-CZ3 4.47Å; F203-W231 HydrophobicContact CG-CZ3 4.42Å; F203-F232 HydrophobicContact CB-CE1 4.15Å; F203-F232 HydrophobicContact CB-CZ 4.26Å; F203-F232 AromaticContact CD2-CD1 3.86Å; F203-F232 HydrophobicContact CD2-CD1 3.86Å; F203-F232 AromaticContact CD2-CE1 3.83Å; F203-F232 HydrophobicContact CD2-CE1 3.83Å; F203-R235 HydrophobicContact CB-CG 4.39Å; F203-R235 HydrophobicContact CD1-CG 3.66Å; F203-R235 HydrophobicContact CD2-CB 4.22Å; F203-R235 HydrophobicContact CD2-CG 3.65Å; F203-R235 HydrophobicContact CE1-CG 3.75Å; F203-R235 HydrophobicContact CE2-CB 4.21Å; F203-R235 HydrophobicContact CE2-CG 3.76Å; F203-R235 HydrophobicContact CG-CG 3.6Å; F203-R235 HydrophobicContact CZ-CG 3.79Å; F203-R236 HydrophobicContact CE2-CG 3.61Å; F203-R236 HydrophobicContact CZ-CG 3.94Å
204L98.3Very high98.4Very high142 Ų14279.2 Ų79.274%0.74337%0.366SS*.Hα-helixtrans-71.7-35.6174.7-69.1171.3000111.7E200 K201E200-L204 WeakPolarHBondContact O-CG 3.4Å; E200-L204 PolarHBondContact O-N 2.98Å; K201-L204 PolarHBondContact O-N 3.25Å
205F98.3Very high98.4Very high164 Ų16476.2 Ų76.272%0.71936%0.356SS*.Hα-helixtrans-67.2-48.9172.8178-103.9000111.9K201 E202K201-F205 PolarHBondContact O-N 3.41Å; E202-F205 PolarHBondContact O-N 3.42Å
206N97.5Very high98.4Very high68 Ų6878.6 Ų78.636%0.36437%0.367SS..  trans-151.6118.5173.6-175.8-8.1000111.6E202 F203 Y208 F232E202-N206 PolarHBondContact O-N 3.45Å; F203-N206 CarbonylContact O-C 3.37Å; N206-Y208 VanDerWaalsContact CG-O 3.27Å; N206-Y208 PolarHBondContact ND2-O 3.2Å; N206-Y208 VanDerWaalsContact ND2-O 3.09Å; N206-Y208 PolarHBondContact O-N 2.83Å; N206-Y208 PolarHBondContact OD1-N 3.5Å; N206-Y208 PolarHBondContact OD1-O 3.37Å; N206-Y208 VanDerWaalsContact OD1-O 3.14Å; N206-F232 WeakPolarHBondContact O-CE1 3.4Å
207M97.9Very high98.4Very high62 Ų6276.6 Ų76.631%0.30536%0.355SS..SBendtrans-64.1-12.3179.4-62.7175.36700114.8F203 M239F203-M207 HydrophobicContact CD2-CB 4.38Å; F203-M207 HydrophobicContact CE1-CE 4.35Å; F203-M207 HydrophobicContact CE1-CG 4.11Å; F203-M207 HydrophobicContact CE2-CB 3.83Å; F203-M207 HydrophobicContact CE2-CE 4.41Å; F203-M207 HydrophobicContact CE2-CG 4Å; F203-M207 HydrophobicContact CZ-CB 4.09Å; F203-M207 HydrophobicContact CZ-CE 3.69Å; F203-M207 HydrophobicContact CZ-CG 3.8Å; F203-M207 PolarHBondContact O-N 2.94Å; M207-M239 HydrophobicContact CE-CE 3.48Å; M207-M239 VanDerWaalsContact CE-CE 3.48Å; M207-M239 HydrophobicContact CE-SD 3.48Å; M207-M239 WeakPolarHBondContact CE-SD 3.39Å; M207-M239 HydrophobicContact SD-SD 4.49Å
208Y98.4Very high98.4Very high145 Ų14571.8 Ų71.857%0.56933%0.331SS*.SBendtrans-134.5106.1-176.4-65.9-104.3000111.1N206N206-Y208 VanDerWaalsContact CG-O 3.27Å; N206-Y208 PolarHBondContact ND2-O 3.2Å; N206-Y208 VanDerWaalsContact ND2-O 3.09Å; N206-Y208 PolarHBondContact O-N 2.83Å; N206-Y208 PolarHBondContact OD1-N 3.5Å; N206-Y208 PolarHBondContact OD1-O 3.37Å; N206-Y208 VanDerWaalsContact OD1-O 3.14Å
209L98.3Very high98.4Very high26 Ų2678 Ų7814%0.13635%0.353CS..  trans-73.8134177.9-57.9-173.9000113.1R213 R214 V228 F232L209-R213 HydrophobicContact CD2-CG 3.99Å; L209-R214 HydrophobicContact CB-CB 4.32Å; L209-R214 HydrophobicContact CD1-CB 4.19Å; L209-R214 HydrophobicContact CD1-CG 4.37Å; L209-V228 HydrophobicContact CD1-CG1 3.57Å; L209-F232 HydrophobicContact CD1-CD1 4.46Å; L209-F232 HydrophobicContact CD1-CD2 3.89Å; L209-F232 HydrophobicContact CD1-CE1 4.2Å; L209-F232 HydrophobicContact CD1-CE2 3.62Å; L209-F232 HydrophobicContact CD1-CG 4.32Å; L209-F232 HydrophobicContact CD1-CZ 3.79Å; L209-F232 HydrophobicContact CD2-CD1 4.46Å; L209-F232 HydrophobicContact CD2-CE1 3.71Å; L209-F232 HydrophobicContact CD2-CE2 4.38Å; L209-F232 HydrophobicContact CD2-CZ 3.67Å; L209-F232 HydrophobicContact CG-CD1 3.91Å; L209-F232 HydrophobicContact CG-CD2 4.24Å; L209-F232 HydrophobicContact CG-CE1 3.62Å; L209-F232 HydrophobicContact CG-CE2 4Å; L209-F232 HydrophobicContact CG-CG 4.22Å; L209-F232 HydrophobicContact CG-CZ 3.69Å
210T98.5Very high98.4Very high83 Ų8381.3 Ų81.351%0.50938%0.375SS..  trans-63.7175160.461.30000111R213 R214T210-R213 WeakPolarHBondContact OG1-CB 3.35Å; T210-R213 PolarHBondContact OG1-N 3.44Å; T210-R214 WeakPolarHBondContact O-CB 3.25Å; T210-R214 PolarHBondContact O-N 2.85Å
211R98.4Very high98.4Very high169 Ų16978.2 Ų78.264%0.63836%0.361SS*.Hα-helixtrans-62.8-51.8175.8-177178-175-166.9-4.9110.8R214 H215R211-R214 WeakPolarHBondContact O-CB 3.42Å; R211-R214 PolarHBondContact O-N 3.13Å; R211-H215 WeakPolarHBondContact CD-NE2 3.43Å; R211-H215 WeakPolarHBondContact CG-NE2 3.43Å; R211-H215 VanDerWaalsContact CZ-NE2 3.34Å; R211-H215 PolarHBondContact NE-NE2 2.92Å; R211-H215 PolarHBondContact NH2-NE2 2.96Å; R211-H215 PolarHBondContact O-CD2 2.81Å; R211-H215 VanDerWaalsContact O-CD2 3.28Å; R211-H215 PolarHBondContact O-N 3.13Å; R211-H215 VanDerWaalsContact O-N 3.11Å
212D98.4Very high98.4Very high100 Ų10080 Ų8054%0.53538%0.376SS..Hα-helixtrans-70.8-40.6-170.4-46.3-52.7000111.6R214 H215 E216D212-R214 VanDerWaalsContact C-N 3.26Å; D212-R214 PolarHBondContact O-N 2.91Å; D212-H215 WeakPolarHBondContact O-CB 3.45Å; D212-H215 PolarHBondContact O-N 3.4Å; D212-E216 PolarHBondContact O-N 2.81Å
213R98.5Very high98.3Very high86 Ų8680.2 Ų80.233%0.32538%0.377SS..Hα-helixtrans-62.9-33.4173.5-169.454.8172.8-170.5-1.9112.7E202 L209 T210 E216 V217E202-R213 VanDerWaalsContact CD-NH2 3.26Å; E202-R213 IonicContact OE1-CZ 3.64Å; E202-R213 IonicContact OE1-NE 3.8Å; E202-R213 IonicContact OE1-NH2 3.35Å; E202-R213 PolarHBondContact OE1-NH2 3.09Å; E202-R213 IonicContact OE2-CZ 2.61Å; E202-R213 IonicContact OE2-NE 2.72Å; E202-R213 PolarHBondContact OE2-NE 3.2Å; E202-R213 IonicContact OE2-NH2 3.66Å; E202-R213 PolarHBondContact OE2-NH2 3.16Å; E202-R213 VanDerWaalsContact OE2-NH2 3.13Å; L209-R213 HydrophobicContact CD2-CG 3.99Å; T210-R213 WeakPolarHBondContact OG1-CB 3.35Å; T210-R213 PolarHBondContact OG1-N 3.44Å; R213-E216 WeakPolarHBondContact CD-OE2 3.3Å; R213-E216 IonicContact CZ-OE2 2.43Å; R213-E216 IonicContact NE-OE2 3.25Å; R213-E216 IonicContact NH1-OE2 3.66Å; R213-E216 PolarHBondContact NH1-OE2 3.23Å; R213-E216 PolarHBondContact O-N 3.05Å; R213-V217 HydrophobicContact CG-CG2 4.4Å; R213-V217 WeakPolarHBondContact O-CG2 3.5Å; R213-V217 PolarHBondContact O-N 3.33Å
214R98.8Very high98.3Very high57 Ų5783.7 Ų83.722%0.21540%0.399CS..Hα-helixtrans-65.8-39.9173.2-169.6-167-54.614410.6111.8L209 T210 R211 D212 E216 A218 E225 V228L209-R214 HydrophobicContact CB-CB 4.32Å; L209-R214 HydrophobicContact CD1-CB 4.19Å; L209-R214 HydrophobicContact CD1-CG 4.37Å; T210-R214 WeakPolarHBondContact O-CB 3.25Å; T210-R214 PolarHBondContact O-N 2.85Å; R211-R214 WeakPolarHBondContact O-CB 3.42Å; R211-R214 PolarHBondContact O-N 3.13Å; D212-R214 VanDerWaalsContact C-N 3.26Å; D212-R214 PolarHBondContact O-N 2.91Å; R214-E216 VanDerWaalsContact C-N 3.34Å; R214-A218 WeakPolarHBondContact O-CB 3.27Å; R214-A218 PolarHBondContact O-N 3.29Å; R214-E225 WeakPolarHBondContact CD-O 3.14Å; R214-E225 HydrophobicContact CG-CB 4.22Å; R214-E225 HydrophobicContact CG-CG 4.24Å; R214-E225 IonicContact NH1-OE2 3.83Å; R214-V228 HydrophobicContact CG-CB 4.21Å; R214-V228 HydrophobicContact CG-CG1 4.11Å
215H98.7Very high98.4Very high71 Ų7179.9 Ų79.933%0.32938%0.378SS..Hα-helixtrans-62.8-39.7174.6-70.4-60.6000112.1R211 D212 R219 E225R211-H215 WeakPolarHBondContact CD-NE2 3.43Å; R211-H215 WeakPolarHBondContact CG-NE2 3.43Å; R211-H215 VanDerWaalsContact CZ-NE2 3.34Å; R211-H215 PolarHBondContact NE-NE2 2.92Å; R211-H215 PolarHBondContact NH2-NE2 2.96Å; R211-H215 PolarHBondContact O-CD2 2.81Å; R211-H215 VanDerWaalsContact O-CD2 3.28Å; R211-H215 PolarHBondContact O-N 3.13Å; R211-H215 VanDerWaalsContact O-N 3.11Å; D212-H215 WeakPolarHBondContact O-CB 3.45Å; D212-H215 PolarHBondContact O-N 3.4Å; H215-R219 WeakPolarHBondContact O-CG 3.39Å; H215-R219 PolarHBondContact O-N 2.77Å; H215-R219 PolarHBondContact O-NE 3.17Å; H215-E225 IonicContact CE1-OE1 3.13Å; H215-E225 PolarHBondContact CE1-OE1 3.09Å; H215-E225 IonicContact CE1-OE2 2.7Å; H215-E225 PolarHBondContact CE1-OE2 3.3Å; H215-E225 IonicContact ND1-OE1 2.86Å; H215-E225 PolarHBondContact ND1-OE1 3.14Å; H215-E225 IonicContact ND1-OE2 2.69Å
216E98.6Very high98.3Very high78 Ų7880.8 Ų80.836%0.36438%0.376SS..Hα-helixtrans-63.9-54175.6-70165.7-164.800112.3D212 R213 R214 A218 R219 S220D212-E216 PolarHBondContact O-N 2.81Å; R213-E216 WeakPolarHBondContact CD-OE2 3.3Å; R213-E216 IonicContact CZ-OE2 2.43Å; R213-E216 IonicContact NE-OE2 3.25Å; R213-E216 IonicContact NH1-OE2 3.66Å; R213-E216 PolarHBondContact NH1-OE2 3.23Å; R213-E216 PolarHBondContact O-N 3.05Å; R214-E216 VanDerWaalsContact C-N 3.34Å; E216-A218 VanDerWaalsContact C-N 3.29Å; E216-A218 PolarHBondContact O-N 2.98Å; E216-R219 PolarHBondContact O-N 3.33Å; E216-R219 VanDerWaalsContact O-N 3.16Å; E216-S220 PolarHBondContact O-N 2.91Å; E216-S220 PolarHBondContact O-OG 3.07Å
217V98.5Very high98.4Very high4 Ų480.8 Ų80.82%0.02437%0.374CS..Hα-helixtrans-64.9-33.6-179.1177.10000111.8L199 E202 R213 S220 L221 V228L199-V217 HydrophobicContact CD2-CG1 4.02Å; E202-V217 HydrophobicContact CG-CG1 4.43Å; E202-V217 HydrophobicContact CG-CG2 3.76Å; R213-V217 HydrophobicContact CG-CG2 4.4Å; R213-V217 WeakPolarHBondContact O-CG2 3.5Å; R213-V217 PolarHBondContact O-N 3.33Å; V217-S220 PolarHBondContact O-OG 3.43Å; V217-L221 HydrophobicContact CG1-CD1 3.82Å; V217-L221 HydrophobicContact CG1-CG 4.38Å; V217-L221 WeakPolarHBondContact O-CB 3.48Å; V217-L221 WeakPolarHBondContact O-CG 3.42Å; V217-L221 PolarHBondContact O-N 3.1Å; V217-V228 HydrophobicContact CG1-CG1 4.13Å; V217-V228 HydrophobicContact CG1-CG2 4.45Å
218A98.6Very high98.4Very high9 Ų977.8 Ų77.87%0.07436%0.359CS..Hα-helixtrans-60.4-48.5172.500000111.4R214 E216 N222 L223 E225 V228R214-A218 WeakPolarHBondContact O-CB 3.27Å; R214-A218 PolarHBondContact O-N 3.29Å; E216-A218 VanDerWaalsContact C-N 3.29Å; E216-A218 PolarHBondContact O-N 2.98Å; A218-N222 PolarHBondContact O-N 3.04Å; A218-L223 CarbonylContact C-O 3.39Å; A218-L223 WeakPolarHBondContact CA-O 3.23Å; A218-L223 VanDerWaalsContact CB-O 3.24Å; A218-L223 WeakPolarHBondContact CB-O 3Å; A218-L223 PolarHBondContact O-N 3.21Å; A218-E225 HydrophobicContact CB-CG 4.23Å; A218-V228 HydrophobicContact CB-CG2 4.21Å
219R98.4Very high98.4Very high176 Ų17676.6 Ų76.666%0.66436%0.357SS*.Hα-helixtrans-67-45.4179.3-73.4-176.8-64.1113.7-4.2112.9H215 E216 L221 N222H215-R219 WeakPolarHBondContact O-CG 3.39Å; H215-R219 PolarHBondContact O-N 2.77Å; H215-R219 PolarHBondContact O-NE 3.17Å; E216-R219 PolarHBondContact O-N 3.33Å; E216-R219 VanDerWaalsContact O-N 3.16Å; R219-L221 VanDerWaalsContact C-N 3.26Å; R219-L221 PolarHBondContact O-N 2.78Å; R219-N222 PolarHBondContact O-N 3.45Å
220S98.2Very high98.4Very high68 Ų6877.9 Ų77.948%0.47636%0.364SS..Hα-helixtrans-66-28.2-177.861.30000113.4E216 V217E216-S220 PolarHBondContact O-N 2.91Å; E216-S220 PolarHBondContact O-OG 3.07Å; V217-S220 PolarHBondContact O-OG 3.43Å
221L98.2Very high98.4Very high4 Ų475.5 Ų75.52%0.02135%0.345CS..THydrogen-bonded Turntrans-101.61.9-177.3-58-173.6000114.3Y194 Q195 E198 L199 V217 R219 L223Y194-L221 HydrophobicContact CD1-CD2 4.29Å; Y194-L221 HydrophobicContact CE1-CD2 3.7Å; Q195-L221 HydrophobicContact CG-CB 4.29Å; Q195-L221 PolarHBondContact NE2-O 3.41Å; E198-L221 HydrophobicContact CB-CD1 4.06Å; E198-L221 HydrophobicContact CB-CD2 3.64Å; E198-L221 HydrophobicContact CB-CG 4.44Å; E198-L221 HydrophobicContact CG-CD2 4.02Å; L199-L221 HydrophobicContact CD1-CD1 4.47Å; L199-L221 HydrophobicContact CD2-CD1 3.96Å; L199-L221 HydrophobicContact CG-CD1 3.7Å; V217-L221 HydrophobicContact CG1-CD1 3.82Å; V217-L221 HydrophobicContact CG1-CG 4.38Å; V217-L221 WeakPolarHBondContact O-CB 3.48Å; V217-L221 WeakPolarHBondContact O-CG 3.42Å; V217-L221 PolarHBondContact O-N 3.1Å; R219-L221 VanDerWaalsContact C-N 3.26Å; R219-L221 PolarHBondContact O-N 2.78Å; L221-L223 VanDerWaalsContact C-N 3.27Å; L221-L223 HydrophobicContact CB-CD1 4.16Å; L221-L223 HydrophobicContact CB-CG 4.17Å; L221-L223 PolarHBondContact O-N 2.91Å
222N98.3Very high98.5Very high150 Ų15067.8 Ų67.880%0.80232%0.316SS*.THydrogen-bonded Turntrans51.245.5-172.2-64.4-49.9000112.5A218 R219A218-N222 PolarHBondContact O-N 3.04Å; R219-N222 PolarHBondContact O-N 3.45Å
223L98Very high98.5Very high16 Ų1668 Ų688%0.08431%0.314CS..  trans-119.2151.9177-67.5178000110.1Y191 L199 A218 L221 Q227 V228Y191-L223 HydrophobicContact CD1-CD2 4.21Å; Y191-L223 HydrophobicContact CE1-CD2 4.06Å; Y191-L223 HydrophobicContact CE2-CD1 4.42Å; L199-L223 HydrophobicContact CD1-CD1 4.11Å; A218-L223 CarbonylContact C-O 3.39Å; A218-L223 WeakPolarHBondContact CA-O 3.23Å; A218-L223 VanDerWaalsContact CB-O 3.24Å; A218-L223 WeakPolarHBondContact CB-O 3Å; A218-L223 PolarHBondContact O-N 3.21Å; L221-L223 VanDerWaalsContact C-N 3.27Å; L221-L223 HydrophobicContact CB-CD1 4.16Å; L221-L223 HydrophobicContact CB-CG 4.17Å; L221-L223 PolarHBondContact O-N 2.91Å; L223-Q227 HydrophobicContact CB-CB 4.33Å; L223-V228 HydrophobicContact CB-CG2 4.14Å
224T98.5Very high98.5Very high79 Ų7968.6 Ų68.649%0.48532%0.324SS..  trans-69147.916962.80000110.8R226 Q227 V228T224-R226 PolarHBondContact O-N 3.34Å; T224-Q227 WeakPolarHBondContact O-CB 3.48Å; T224-Q227 PolarHBondContact O-N 3.5Å; T224-Q227 WeakPolarHBondContact OG1-CG 3.47Å; T224-Q227 PolarHBondContact OG1-N 3.07Å; T224-Q227 VanDerWaalsContact OG1-N 3.17Å; T224-Q227 PolarHBondContact OG1-OE1 3.02Å; T224-V228 PolarHBondContact O-N 3.17Å; T224-V228 VanDerWaalsContact O-N 3.11Å
225E98.5Very high98.5Very high63 Ų6368 Ų6829%0.29432%0.322SS..Hα-helixtrans-48.7-36.3169.6-76.5-175.8-98.400112.7R214 H215 A218 V228 K229R214-E225 WeakPolarHBondContact CD-O 3.14Å; R214-E225 HydrophobicContact CG-CB 4.22Å; R214-E225 HydrophobicContact CG-CG 4.24Å; R214-E225 IonicContact NH1-OE2 3.83Å; H215-E225 IonicContact CE1-OE1 3.13Å; H215-E225 PolarHBondContact CE1-OE1 3.09Å; H215-E225 IonicContact CE1-OE2 2.7Å; H215-E225 PolarHBondContact CE1-OE2 3.3Å; H215-E225 IonicContact ND1-OE1 2.86Å; H215-E225 PolarHBondContact ND1-OE1 3.14Å; H215-E225 IonicContact ND1-OE2 2.69Å; A218-E225 HydrophobicContact CB-CG 4.23Å; E225-V228 PolarHBondContact O-N 3.38Å; E225-K229 VanDerWaalsContact O-CB 3.3Å; E225-K229 WeakPolarHBondContact O-CB 3.34Å; E225-K229 PolarHBondContact O-N 3.39Å
226R98.1Very high98.4Very high182 Ų18268.3 Ų68.369%0.68732%0.32SS*.Hα-helixtrans-64.9-41.8178.6-172.8176.8-178-82.70.3111.6T224 K229 I230T224-R226 PolarHBondContact O-N 3.34Å; R226-K229 PolarHBondContact O-N 3.35Å; R226-I230 HydrophobicContact CG-CD1 3.94Å; R226-I230 WeakPolarHBondContact O-CB 3.47Å; R226-I230 WeakPolarHBondContact O-CD1 3.35Å; R226-I230 VanDerWaalsContact O-CG1 3.23Å; R226-I230 WeakPolarHBondContact O-CG1 3.46Å; R226-I230 PolarHBondContact O-N 2.85Å
227Q98.3Very high98.4Very high68 Ų6869.7 Ų69.732%0.31833%0.327SS..Hα-helixtrans-62.9-44.7173.9-81.7161.3-60.600111.6Y191 L223 T224 I230 W231Y191-Q227 WeakPolarHBondContact OH-CB 3.39Å; L223-Q227 HydrophobicContact CB-CB 4.33Å; T224-Q227 WeakPolarHBondContact O-CB 3.48Å; T224-Q227 PolarHBondContact O-N 3.5Å; T224-Q227 WeakPolarHBondContact OG1-CG 3.47Å; T224-Q227 PolarHBondContact OG1-N 3.07Å; T224-Q227 VanDerWaalsContact OG1-N 3.17Å; T224-Q227 PolarHBondContact OG1-OE1 3.02Å; Q227-I230 PolarHBondContact O-N 2.95Å; Q227-W231 WeakPolarHBondContact O-CB 3.5Å; Q227-W231 PolarHBondContact O-N 3.41Å
228V98.6Very high98.4Very high0 Ų076 Ų760%036%0.355CS..Hα-helixtrans-61.7-48.9175.8-178.10000110.6L199 L209 R214 V217 A218 L223 T224 E225 I230 W231 F232L199-V228 HydrophobicContact CD2-CG1 4.13Å; L209-V228 HydrophobicContact CD1-CG1 3.57Å; R214-V228 HydrophobicContact CG-CB 4.21Å; R214-V228 HydrophobicContact CG-CG1 4.11Å; V217-V228 HydrophobicContact CG1-CG1 4.13Å; V217-V228 HydrophobicContact CG1-CG2 4.45Å; A218-V228 HydrophobicContact CB-CG2 4.21Å; L223-V228 HydrophobicContact CB-CG2 4.14Å; T224-V228 PolarHBondContact O-N 3.17Å; T224-V228 VanDerWaalsContact O-N 3.11Å; E225-V228 PolarHBondContact O-N 3.38Å; V228-I230 PolarHBondContact O-N 3.21Å; V228-W231 PolarHBondContact O-N 3.16Å; V228-F232 HydrophobicContact CG1-CD2 3.95Å; V228-F232 HydrophobicContact CG1-CE2 4.09Å; V228-F232 WeakPolarHBondContact O-CD2 3.36Å; V228-F232 PolarHBondContact O-N 2.95Å
229K98.4Very high98.2Very high120 Ų12078.1 Ų78.152%0.52236%0.364SS..Hα-helixtrans-56-45.8176.5-179.8-178176-178.30112.4E225 R226 Q233E225-K229 VanDerWaalsContact O-CB 3.3Å; E225-K229 WeakPolarHBondContact O-CB 3.34Å; E225-K229 PolarHBondContact O-N 3.39Å; R226-K229 PolarHBondContact O-N 3.35Å; K229-Q233 PolarHBondContact O-N 3.2Å
230I98.5Very high98.2Very high53 Ų5376.2 Ų76.227%0.27236%0.36SS..Hα-helixtrans-66.4-42.3178.6-72.4168000110.8R226 Q227 V228 Q233 N234R226-I230 HydrophobicContact CG-CD1 3.94Å; R226-I230 WeakPolarHBondContact O-CB 3.47Å; R226-I230 WeakPolarHBondContact O-CD1 3.35Å; R226-I230 VanDerWaalsContact O-CG1 3.23Å; R226-I230 WeakPolarHBondContact O-CG1 3.46Å; R226-I230 PolarHBondContact O-N 2.85Å; Q227-I230 PolarHBondContact O-N 2.95Å; V228-I230 PolarHBondContact O-N 3.21Å; I230-Q233 WeakPolarHBondContact O-CB 3.49Å; I230-Q233 PolarHBondContact O-N 3.49Å; I230-N234 VanDerWaalsContact O-CG 3.26Å; I230-N234 PolarHBondContact O-N 3.12Å; I230-N234 PolarHBondContact O-ND2 3.48Å
231W98.6Very high98Very high33 Ų3379.7 Ų79.713%0.12537%0.367CS..Hα-helixtrans-62.4-45.2177.6-172.899000111.4Y191 L199 E200 F203 Q227 V228 Q233 N234 R235Y191-W231 AromaticContact CD2-CD1 3.83Å; Y191-W231 HydrophobicContact CE2-CB 4.14Å; Y191-W231 AromaticContact CE2-CD1 3.56Å; Y191-W231 HydrophobicContact CE2-CG 4.13Å; L199-W231 VanDerWaalsContact C-CH2 3.41Å; L199-W231 HydrophobicContact CB-CD2 3.88Å; L199-W231 HydrophobicContact CB-CE3 3.85Å; L199-W231 HydrophobicContact CB-CH2 3.72Å; L199-W231 HydrophobicContact CB-CZ2 3.71Å; L199-W231 HydrophobicContact CB-CZ3 3.79Å; L199-W231 HydrophobicContact CD1-CB 4.43Å; L199-W231 HydrophobicContact CD1-CD2 3.89Å; L199-W231 HydrophobicContact CD1-CE3 4.48Å; L199-W231 HydrophobicContact CD1-CG 3.83Å; L199-W231 HydrophobicContact CD2-CD2 4.38Å; L199-W231 HydrophobicContact CD2-CE3 4.19Å; L199-W231 HydrophobicContact CG-CD2 4.27Å; L199-W231 HydrophobicContact CG-CE3 4.4Å; L199-W231 VanDerWaalsContact O-CH2 3.27Å; L199-W231 WeakPolarHBondContact O-CH2 3.32Å; L199-W231 VanDerWaalsContact O-CZ3 3.25Å; L199-W231 WeakPolarHBondContact O-CZ3 3.14Å; E200-W231 HydrophobicContact CB-CH2 4.47Å; E200-W231 HydrophobicContact CG-CH2 3.77Å; E200-W231 HydrophobicContact CG-CZ2 3.71Å; F203-W231 HydrophobicContact CB-CH2 4.18Å; F203-W231 HydrophobicContact CB-CZ3 4Å; F203-W231 HydrophobicContact CD2-CZ3 4.47Å; F203-W231 HydrophobicContact CG-CZ3 4.42Å; Q227-W231 WeakPolarHBondContact O-CB 3.5Å; Q227-W231 PolarHBondContact O-N 3.41Å; V228-W231 PolarHBondContact O-N 3.16Å; W231-Q233 VanDerWaalsContact C-N 3.29Å; W231-Q233 PolarHBondContact O-N 3.32Å; W231-N234 PolarHBondContact O-N 2.91Å; W231-N234 VanDerWaalsContact O-N 3.17Å; W231-R235 HydrophobicContact CD2-CB 4.43Å; W231-R235 HydrophobicContact CE3-CB 3.99Å; W231-R235 HydrophobicContact CH2-CB 3.9Å; W231-R235 HydrophobicContact CH2-CG 3.58Å; W231-R235 HydrophobicContact CZ2-CB 4.36Å; W231-R235 HydrophobicContact CZ2-CG 4.25Å; W231-R235 HydrophobicContact CZ3-CB 3.7Å; W231-R235 HydrophobicContact CZ3-CG 3.74Å; W231-R235 WeakPolarHBondContact O-CB 3.26Å; W231-R235 PolarHBondContact O-N 3.42Å
232F98.8Very high97.8Very high6 Ų684.3 Ų84.33%0.02639%0.389CS..Hα-helixtrans-63.3-31.1175.4-91.4-102.4000113.3L199 E202 F203 N206 L209 V228 R236L199-F232 HydrophobicContact CD2-CD2 4.5Å; L199-F232 HydrophobicContact CD2-CE2 3.98Å; E202-F232 HydrophobicContact CB-CZ 3.93Å; F203-F232 HydrophobicContact CB-CE1 4.15Å; F203-F232 HydrophobicContact CB-CZ 4.26Å; F203-F232 AromaticContact CD2-CD1 3.86Å; F203-F232 HydrophobicContact CD2-CD1 3.86Å; F203-F232 AromaticContact CD2-CE1 3.83Å; F203-F232 HydrophobicContact CD2-CE1 3.83Å; N206-F232 WeakPolarHBondContact O-CE1 3.4Å; L209-F232 HydrophobicContact CD1-CD1 4.46Å; L209-F232 HydrophobicContact CD1-CD2 3.89Å; L209-F232 HydrophobicContact CD1-CE1 4.2Å; L209-F232 HydrophobicContact CD1-CE2 3.62Å; L209-F232 HydrophobicContact CD1-CG 4.32Å; L209-F232 HydrophobicContact CD1-CZ 3.79Å; L209-F232 HydrophobicContact CD2-CD1 4.46Å; L209-F232 HydrophobicContact CD2-CE1 3.71Å; L209-F232 HydrophobicContact CD2-CE2 4.38Å; L209-F232 HydrophobicContact CD2-CZ 3.67Å; L209-F232 HydrophobicContact CG-CD1 3.91Å; L209-F232 HydrophobicContact CG-CD2 4.24Å; L209-F232 HydrophobicContact CG-CE1 3.62Å; L209-F232 HydrophobicContact CG-CE2 4Å; L209-F232 HydrophobicContact CG-CG 4.22Å; L209-F232 HydrophobicContact CG-CZ 3.69Å; V228-F232 HydrophobicContact CG1-CD2 3.95Å; V228-F232 HydrophobicContact CG1-CE2 4.09Å; V228-F232 WeakPolarHBondContact O-CD2 3.36Å; V228-F232 PolarHBondContact O-N 2.95Å; F232-R236 WeakPolarHBondContact O-CG 3.48Å; F232-R236 PolarHBondContact O-N 3.23Å; F232-R236 PolarHBondContact O-NE 3.11Å
233Q98.7Very high97.4Very high105 Ų10581.9 Ų81.949%0.49138%0.377SS..Hα-helixtrans-69-48.3171.7-170.6172.911.600111.2K229 I230 W231 R235 R236 M237K229-Q233 PolarHBondContact O-N 3.2Å; I230-Q233 WeakPolarHBondContact O-CB 3.49Å; I230-Q233 PolarHBondContact O-N 3.49Å; W231-Q233 VanDerWaalsContact C-N 3.29Å; W231-Q233 PolarHBondContact O-N 3.32Å; Q233-R235 PolarHBondContact O-N 3.3Å; Q233-R236 PolarHBondContact O-N 3.42Å; Q233-M237 WeakPolarHBondContact O-CG 3.21Å; Q233-M237 PolarHBondContact O-N 3.02Å; Q233-M237 VanDerWaalsContact O-N 3.1Å
234N98.4Very high96.8Very high99 Ų9989.7 Ų89.753%0.52941%0.41SS..Hα-helixtrans-61.9-40.5177.4-67.8-19.1000112.1I230 W231 R236 M237 K238I230-N234 VanDerWaalsContact O-CG 3.26Å; I230-N234 PolarHBondContact O-N 3.12Å; I230-N234 PolarHBondContact O-ND2 3.48Å; W231-N234 PolarHBondContact O-N 2.91Å; W231-N234 VanDerWaalsContact O-N 3.17Å; N234-R236 PolarHBondContact O-N 3.05Å; N234-M237 PolarHBondContact O-N 3.22Å; N234-K238 PolarHBondContact O-N 2.93Å
235R98.6Very high95.9Very high45 Ų4590.8 Ų90.817%0.1741%0.413CS..Hα-helixtrans-65.3-38.3-179.5-176.462.8-17477.5-0.8112.7F203 W231 Q233 M239F203-R235 HydrophobicContact CB-CG 4.39Å; F203-R235 HydrophobicContact CD1-CG 3.66Å; F203-R235 HydrophobicContact CD2-CB 4.22Å; F203-R235 HydrophobicContact CD2-CG 3.65Å; F203-R235 HydrophobicContact CE1-CG 3.75Å; F203-R235 HydrophobicContact CE2-CB 4.21Å; F203-R235 HydrophobicContact CE2-CG 3.76Å; F203-R235 HydrophobicContact CG-CG 3.6Å; F203-R235 HydrophobicContact CZ-CG 3.79Å; W231-R235 HydrophobicContact CD2-CB 4.43Å; W231-R235 HydrophobicContact CE3-CB 3.99Å; W231-R235 HydrophobicContact CH2-CB 3.9Å; W231-R235 HydrophobicContact CH2-CG 3.58Å; W231-R235 HydrophobicContact CZ2-CB 4.36Å; W231-R235 HydrophobicContact CZ2-CG 4.25Å; W231-R235 HydrophobicContact CZ3-CB 3.7Å; W231-R235 HydrophobicContact CZ3-CG 3.74Å; W231-R235 WeakPolarHBondContact O-CB 3.26Å; W231-R235 PolarHBondContact O-N 3.42Å; Q233-R235 PolarHBondContact O-N 3.3Å; R235-M239 PolarHBondContact O-N 3.37Å
236R98.4Very high94.8Very high76 Ų7694 Ų9429%0.28743%0.428SS..Hα-helixtrans-66.6-41171.3-72.2179.7-72153.7-3.7112F203 F232 Q233 N234 M239 K240F203-R236 HydrophobicContact CE2-CG 3.61Å; F203-R236 HydrophobicContact CZ-CG 3.94Å; F232-R236 WeakPolarHBondContact O-CG 3.48Å; F232-R236 PolarHBondContact O-N 3.23Å; F232-R236 PolarHBondContact O-NE 3.11Å; Q233-R236 PolarHBondContact O-N 3.42Å; N234-R236 PolarHBondContact O-N 3.05Å; R236-M239 PolarHBondContact O-N 2.87Å; R236-K240 WeakPolarHBondContact O-CB 3.12Å; R236-K240 PolarHBondContact O-N 2.73Å
237M98.2Very high93.6Very high107 Ų10789.8 Ų89.853%0.52742%0.424SS..Hα-helixtrans-65.1-40.5176-66.8-66.6-83.700112.1Q233 N234 K240 K241Q233-M237 WeakPolarHBondContact O-CG 3.21Å; Q233-M237 PolarHBondContact O-N 3.02Å; Q233-M237 VanDerWaalsContact O-N 3.1Å; N234-M237 PolarHBondContact O-N 3.22Å; M237-K240 PolarHBondContact O-N 3.45Å; M237-K241 PolarHBondContact O-N 2.94Å
238K97.2Very high92.3Very high137 Ų13796.6 Ų96.660%0.59645%0.452SS*.Hα-helixtrans-59.6-45.7172.9-174.7-177.5177.7-172.60111.5N234 K241 M242N234-K238 PolarHBondContact O-N 2.93Å; K238-K241 PolarHBondContact O-N 2.84Å; K238-M242 PolarHBondContact O-N 3.43Å
239M96.3Very high90.5Very high54 Ų54107.1 Ų107.127%0.26651%0.509SS..Hα-helixtrans-61.8-50.6176.4-165.4-165.780.200111.6M207 R235 R236 K241 M242 N243M207-M239 HydrophobicContact CE-CE 3.48Å; M207-M239 VanDerWaalsContact CE-CE 3.48Å; M207-M239 HydrophobicContact CE-SD 3.48Å; M207-M239 WeakPolarHBondContact CE-SD 3.39Å; M207-M239 HydrophobicContact SD-SD 4.49Å; R235-M239 PolarHBondContact O-N 3.37Å; R236-M239 PolarHBondContact O-N 2.87Å; M239-K241 PolarHBondContact O-N 3.05Å; M239-M242 PolarHBondContact O-N 3.3Å; M239-M242 VanDerWaalsContact O-N 3.11Å; M239-N243 PolarHBondContact O-N 2.85Å; M239-N243 PolarHBondContact O-OD1 3.18Å
240K96.6Very high90.1Very high136 Ų136106.5 Ų106.559%0.59151%0.508SS*.Hα-helixtrans-57.4-35.7179.2-172.2179.7691740112.5R236 M237 K244R236-K240 WeakPolarHBondContact O-CB 3.12Å; R236-K240 PolarHBondContact O-N 2.73Å; M237-K240 PolarHBondContact O-N 3.45Å; K240-K244 PolarHBondContact O-N 3.17Å
241K95.6Very high89.7Confident140 Ų140109.3 Ų109.361%0.60952%0.521SS*.Hα-helixtrans-66-55.4173.4-177.9174.7179.5-175.70110.9M237 K238 M239 N243 K244 D245M237-K241 PolarHBondContact O-N 2.94Å; K238-K241 PolarHBondContact O-N 2.84Å; M239-K241 PolarHBondContact O-N 3.05Å; K241-N243 VanDerWaalsContact C-N 3.27Å; K241-N243 PolarHBondContact O-N 2.91Å; K241-K244 PolarHBondContact O-N 3.26Å; K241-D245 WeakPolarHBondContact CE-OD2 3.42Å; K241-D245 VanDerWaalsContact CG-OD2 3.26Å; K241-D245 WeakPolarHBondContact CG-OD2 3.48Å; K241-D245 PolarHBondContact O-N 2.92Å; K241-D245 VanDerWaalsContact O-N 3.12Å
242M92.8Very high89.2Confident101 Ų101113.6 Ų113.650%0.49854%0.543SS..Hα-helixtrans-54.3-41.4-179.8-174170.671.100112.8K238 M239 K244 D245 Q246K238-M242 PolarHBondContact O-N 3.43Å; M239-M242 PolarHBondContact O-N 3.3Å; M239-M242 VanDerWaalsContact O-N 3.11Å; M242-K244 VanDerWaalsContact C-N 3.25Å; M242-K244 PolarHBondContact O-N 3.06Å; M242-D245 PolarHBondContact O-N 2.95Å; M242-Q246 PolarHBondContact O-N 3.24Å
243N90.1Very high88.6Confident100 Ų100119.9 Ų119.954%0.53557%0.573SS.*THydrogen-bonded Turntrans-71.3-14.9178.7-67.236000114.1M239 K241M239-N243 PolarHBondContact O-N 2.85Å; M239-N243 PolarHBondContact O-OD1 3.18Å; K241-N243 VanDerWaalsContact C-N 3.27Å; K241-N243 PolarHBondContact O-N 2.91Å
244K85.5Confident88Confident179 Ų179120.8 Ų120.878%0.77858%0.578SS**THydrogen-bonded Turntrans-94.9-27.3176.9-172.3-179.4175.1-169.50112.2K240 K241 M242 Q246K240-K244 PolarHBondContact O-N 3.17Å; K241-K244 PolarHBondContact O-N 3.26Å; M242-K244 VanDerWaalsContact C-N 3.25Å; M242-K244 PolarHBondContact O-N 3.06Å; K244-Q246 VanDerWaalsContact C-N 3.31Å
245D79.4Confident87.3Confident102 Ų102122.3 Ų122.355%0.54558%0.582SS.*SBendtrans-85.7-2.8-179.3-59-20000112.3K241 M242K241-D245 WeakPolarHBondContact CE-OD2 3.42Å; K241-D245 VanDerWaalsContact CG-OD2 3.26Å; K241-D245 WeakPolarHBondContact CG-OD2 3.48Å; K241-D245 PolarHBondContact O-N 2.92Å; K241-D245 VanDerWaalsContact O-N 3.12Å; M242-D245 PolarHBondContact O-N 2.95Å
246Q76.6Confident86.5Confident130 Ų130127.8 Ų127.861%0.60761%0.611SS**SBendtrans-77.2126.5169.3-67.9-64.7-9.400110.2M242 K244M242-Q246 PolarHBondContact O-N 3.24Å; K244-Q246 VanDerWaalsContact C-N 3.31Å
247P72.1Confident85.6Confident94 Ų94131.8 Ų131.861%0.6164%0.636SS**  trans-62.1143170.127.8-32.8000109.8
248K70.6Confident84.5Confident211 Ų211133.8 Ų133.892%0.91765%0.645SS**  trans-86.2105160.1-78-175.2172.1-172.60106.7
249D61.3Low83.3Confident222 Ų222133.5 Ų133.5100%1.18765%0.649SS**  trans-670160.9-56.5-47.5000110.6

Retrieved 249 of 249 residues in 846 ms (Link to these results)