A0A087X888_POEFO Loading...

Mix paired-like homeobox

AlphaFold DB , UniProt , Accession A0A087X888, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 331 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M47.8Very low45.6Very low247 Ų247146 Ų146100%1.21787%0.872SS**  0116.70-60.7-178.1102.900107.4
2S40.3Very low45.1Very low125 Ų125146.6 Ų146.687%0.87487%0.867SS**  trans-163.2114.2158.1-138.10000108.5
3A42.4Very low45.5Very low96 Ų96148.4 Ų148.479%0.79387%0.869SS**  trans-88.5135.6174.600000108.5
4V46.9Very low45.5Very low140 Ų140144.9 Ų144.985%0.84886%0.856SS**  trans-126.5107166.8161.50000107.5
5S44.7Very low45.4Very low115 Ų115145.8 Ų145.880%0.80485%0.848SS**  trans-73.5128.8166.8-59.50000109.4
6G42.8Very low44.9Very low70 Ų70148.5 Ų148.572%0.72285%0.847SS**  trans-124.496.3171.600000110.3M8G6-M8 PolarHBondContact O-N 3.43Å
7N43.4Very low44.6Very low163 Ų163148.8 Ų148.887%0.87284%0.839SS**PPolyproline II helixtrans-68.9119.2170.4-75.1-13.4000109.7
8M48.9Very low44.7Very low191 Ų191149.9 Ų149.994%0.94184%0.839SS**PPolyproline II helixtrans-87.3120166.3-69.6-165.672.300109.8G6G6-M8 PolarHBondContact O-N 3.43Å
9R50Low44.6Very low243 Ų243153.3 Ų153.392%0.91784%0.839SS**PPolyproline II helixtrans-86133.1-174.6-158.3173.1-178.1161.7-1.2109.4
10V46.1Very low44.1Very low147 Ų147154.3 Ų154.389%0.89184%0.838SS**PPolyproline II helixtrans-60.5126.6166.2169.40000108.9
11G48.2Very low43.8Very low69 Ų69155.2 Ų155.271%0.71184%0.836SS**  trans145.674169.900000114.5
12D39.9Very low43.2Very low153 Ų153146.3 Ų146.382%0.81881%0.808SS**  trans-14772147.9-150.52.2000109.2S14D12-S14 PolarHBondContact O-N 3.08Å
13L49.5Very low43.3Very low170 Ų170146 Ų14689%0.8980%0.804SS**  trans-83.893.6162.2-103.281.5000106.7H15L13-H15 VanDerWaalsContact C-N 3.3Å; L13-H15 PolarHBondContact O-N 2.97Å
14S46.3Very low43.2Very low99 Ų99149.5 Ų149.569%0.69281%0.808SS**  trans-70.891.1165.560.20000109.2D12 F16D12-S14 PolarHBondContact O-N 3.08Å; S14-F16 PolarHBondContact O-N 3.34Å; S14-F16 VanDerWaalsContact O-N 3.08Å
15H43.9Very low43Very low159 Ų159151.3 Ų151.374%0.73681%0.807SS**  trans-63.694163.5177.879.2000109L13L13-H15 VanDerWaalsContact C-N 3.3Å; L13-H15 PolarHBondContact O-N 2.97Å
16F36.7Very low43Very low189 Ų189152.5 Ų152.583%0.82980%0.804SS**  trans-99.7108.6165.1-117.2-88.7000109.5S14 M18S14-F16 PolarHBondContact O-N 3.34Å; S14-F16 VanDerWaalsContact O-N 3.08Å; F16-M18 PolarHBondContact O-N 3.29Å
17Q39.6Very low42.6Very low153 Ų153156.4 Ų156.472%0.71581%0.808SS**  trans-67.4106.3179-164.8169.2-0.100109.4
18M47.2Very low42.1Very low169 Ų169152.9 Ų152.983%0.83380%0.796SS**  trans-95.2109167.3-83.4-73.5-76.700108.5F16F16-M18 PolarHBondContact O-N 3.29Å
19Y42Very low41.6Very low215 Ų215148.5 Ų148.584%0.84379%0.79SS**  trans4.4128.4164.3-69.5-88.7000119.5
20Q35.7Very low41.2Very low172 Ų172142.7 Ų142.780%0.80478%0.781SS**  trans-92152.3165.1-143.4168.625.900109.5
21E36.7Very low40.5Very low174 Ų174141.2 Ų141.281%0.81378%0.778SS**  trans90.4114.7162.9-57.5-58.714400119.9
22G35.8Very low40.4Very low61 Ų61142.4 Ų142.463%0.62978%0.775SS**  trans163.793.1168.900000111.4L24G22-L24 PolarHBondContact O-N 2.96Å
23P41.8Very low40.2Very low119 Ų119142.5 Ų142.577%0.77378%0.776SS**  trans-68.1122.5-178.727.3-31.7000109.8Q25P23-Q25 PolarHBondContact O-N 2.81Å
24L41.2Very low39.9Very low169 Ų169145.8 Ų145.889%0.88578%0.778SS**  trans-63.3102.7168.1-66.7175.4000107.9G22 L26G22-L24 PolarHBondContact O-N 2.96Å; L24-L26 VanDerWaalsContact C-N 3.29Å; L24-L26 PolarHBondContact O-N 2.9Å
25Q41.6Very low39.6Very low177 Ų177144.2 Ų144.283%0.82778%0.778SS**  trans-61.798.7163.6-82.8-173.366.700107.9P23 N27P23-Q25 PolarHBondContact O-N 2.81Å; Q25-N27 PolarHBondContact O-N 3.21Å
26L46.2Very low39.9Very low141 Ų141141.4 Ų141.474%0.73878%0.782SS**  trans-69.9103.2166.7-153.6153.7000105.8L24 S28L24-L26 VanDerWaalsContact C-N 3.29Å; L24-L26 PolarHBondContact O-N 2.9Å; L26-S28 WeakPolarHBondContact CD2-OG 3.08Å; L26-S28 PolarHBondContact O-N 3.37Å
27N33.2Very low40.5Very low152 Ų152137.3 Ų137.381%0.81378%0.776SS**  trans-71.274.7167.6-85.3-6.9000108.9Q25 A29Q25-N27 PolarHBondContact O-N 3.21Å; N27-A29 VanDerWaalsContact C-N 3.35Å; N27-A29 PolarHBondContact O-N 3.26Å
28S34Very low40.8Very low88 Ų88135.6 Ų135.662%0.61577%0.772SS**  trans-81.685.7154.5-88.20000107.6L26 V30L26-S28 WeakPolarHBondContact CD2-OG 3.08Å; L26-S28 PolarHBondContact O-N 3.37Å; S28-V30 VanDerWaalsContact C-N 3.3Å; S28-V30 PolarHBondContact O-N 3.26Å
29A37.9Very low41Very low100 Ų100134.4 Ų134.483%0.82677%0.774SS**  trans-7895.7148.700000106.7N27 S31N27-A29 VanDerWaalsContact C-N 3.35Å; N27-A29 PolarHBondContact O-N 3.26Å; A29-S31 PolarHBondContact O-N 3.49Å
30V40.9Very low41.4Very low120 Ų120129.9 Ų129.973%0.72777%0.769SS**  trans-52.1114.6157.3157.30000108.2S28S28-V30 VanDerWaalsContact C-N 3.3Å; S28-V30 PolarHBondContact O-N 3.26Å
31S33Very low42Very low117 Ų117127.5 Ų127.582%0.81876%0.762SS**  trans-119.691138.5-90.70000106.3A29 D33A29-S31 PolarHBondContact O-N 3.49Å; S31-D33 PolarHBondContact O-N 3.41Å
32S45.7Very low42.4Very low93 Ų93129.9 Ų129.965%0.6577%0.765SS**  trans-71.1106.6161.4160.10000107.4
33D35Very low42.9Very low155 Ų155136.4 Ų136.483%0.82978%0.776SS**  trans-133.681.7153.1-80-44.1000107.6S31 G35S31-D33 PolarHBondContact O-N 3.41Å; D33-G35 VanDerWaalsContact C-N 3.28Å; D33-G35 PolarHBondContact O-N 3.07Å
34Y43.6Very low43.3Very low239 Ų239137 Ų13794%0.93778%0.778SS**  trans-7388.2164.9-163.1-95000107.3
35G39.3Very low43.3Very low67 Ų67134 Ų13469%0.69177%0.771SS**  trans-137.5108.1176.300000109.4D33D33-G35 VanDerWaalsContact C-N 3.28Å; D33-G35 PolarHBondContact O-N 3.07Å
36A49.7Very low44Very low100 Ų100132.1 Ų132.183%0.82677%0.772SS**  trans-49.4132177.200000113.4
37S49.3Very low44.1Very low102 Ų102133.9 Ų133.971%0.71377%0.774SS**  trans171.8111.3153.5-68.30000105.2
38D46.5Very low44.9Very low118 Ų118133.3 Ų133.363%0.63178%0.779SS**  -177.879.792.6-88.2-43.2000110.1T40 N41D38-T40 VanDerWaalsContact C-N 3.35Å; D38-N41 PolarHBondContact OD1-ND2 3.16Å
39V51.5Low45.7Very low144 Ų144132.3 Ų132.387%0.87378%0.782SS**SBendtrans-98.610.2161.21740000110.8
40T51.5Low46.4Very low120 Ų120131.8 Ų131.874%0.73678%0.778SS**  trans-134.471.4-176.734.20000111.1D38D38-T40 VanDerWaalsContact C-N 3.35Å
41N47.2Very low47Very low121 Ų121137.5 Ų137.565%0.64779%0.786SS**  trans-135.833.3164-90.6-32.4000112.7D38D38-N41 PolarHBondContact OD1-ND2 3.16Å
42Y46.5Very low48.1Very low224 Ų224139.8 Ų139.888%0.87878%0.784SS**SBendtrans-11119172.1-69.3-73.9000113.8
43F46.1Very low48.6Very low198 Ų198141.5 Ų141.587%0.86879%0.786SS**SBendtrans-160.551.7172.9-150.4-99.1000114.9
44T50.3Low49.7Very low132 Ų132142.3 Ų142.381%0.8178%0.782SS**  trans-162.1101.4153.9-8.50000110.7
45S39.6Very low50.3Low106 Ų106135.4 Ų135.474%0.74177%0.767SS**  trans-151.183.7152.6-169.90000108.7K47S45-K47 PolarHBondContact O-N 3.38Å
46T56.1Low51.3Low137 Ų137136.5 Ų136.584%0.8476%0.76SS**  trans-6585.2154.533.40000108.7
47K49.8Very low51.8Low178 Ų178134.6 Ų134.677%0.77475%0.745SS**  trans-146.2121.6154-73.7-166.2179.4176.10108.6S45 G49S45-K47 PolarHBondContact O-N 3.38Å; K47-G49 PolarHBondContact O-N 3.41Å
48P49.9Very low52.4Low141 Ų141136.5 Ų136.592%0.91675%0.745SS**  trans-84.4106.4174.632.4-26.3000108.2
49G50.7Low53.2Low66 Ų66138.1 Ų138.168%0.6875%0.753SS**  trans168.1123173.500000111.1K47K47-G49 PolarHBondContact O-N 3.41Å
50A51.9Low53.7Low90 Ų90135.8 Ų135.874%0.74474%0.74SS**  trans75.980.2179.800000116.2
51R53.1Low54.6Low240 Ų240137.9 Ų137.991%0.90674%0.741SS**  trans-119.925.1167.2-65-157.884.2-177.17.4114.2
52E56.6Low56.1Low164 Ų164142.6 Ų142.677%0.76675%0.749SS**SBendtrans-107.4-16.8-174-77.3154.7-17600115.2
53D56.2Low57.7Low129 Ų129142.1 Ų142.169%0.6975%0.746SS**SBendtrans-98-7.4-169.4-57-38.6000116.2
54K58.2Low59.6Low173 Ų173141.6 Ų141.675%0.75274%0.743SS**Hα-helixtrans-75.8-25.8-175.7-64.9-175.3-177.7-177.30113.5
55C57.4Low61.6Low93 Ų93145.2 Ų145.263%0.62874%0.742SS**Hα-helixtrans-72.4-30-179.3-62.40000112.2
56V59.3Low64.2Low90 Ų90141.9 Ų141.955%0.54572%0.717SS.*Hα-helixtrans-76.1-33.5-179.1-1730000111.5L59 T60V56-L59 PolarHBondContact O-N 3.16Å; V56-T60 HydrophobicContact CG1-CG2 4.18Å; V56-T60 WeakPolarHBondContact O-CB 3.38Å; V56-T60 WeakPolarHBondContact O-CG2 3.44Å; V56-T60 PolarHBondContact O-N 3.25Å; V56-T60 PolarHBondContact O-OG1 3.13Å
57A60.3Low66Low60 Ų60141.8 Ų141.850%0.49671%0.712SS.*Hα-helixtrans-68.7-34.3178.800000113.3T60A57-T60 WeakPolarHBondContact CA-OG1 3.33Å; A57-T60 PolarHBondContact O-OG1 3.32Å
58I61.3Low68.3Low142 Ų142136.4 Ų136.473%0.72869%0.688SS**Hα-helixtrans-73.1-33.5178.6-62.1-170.3000111.5
59L64.3Low70.6Confident153 Ų153133.1 Ų133.180%0.80167%0.666SS**Hα-helixtrans-79.6-19.2178.1-64.7175.5000113.7V56V56-L59 PolarHBondContact O-N 3.16Å
60T61.9Low72.9Confident95 Ų95135.6 Ų135.658%0.58366%0.66SS**Hα-helixtrans-99.1-3.1-175.853.70000114.2V56 A57 R62V56-T60 HydrophobicContact CG1-CG2 4.18Å; V56-T60 WeakPolarHBondContact O-CB 3.38Å; V56-T60 WeakPolarHBondContact O-CG2 3.44Å; V56-T60 PolarHBondContact O-N 3.25Å; V56-T60 PolarHBondContact O-OG1 3.13Å; A57-T60 WeakPolarHBondContact CA-OG1 3.33Å; A57-T60 PolarHBondContact O-OG1 3.32Å; T60-R62 PolarHBondContact O-N 3.43Å
61H70.3Confident75.1Confident164 Ų164138.2 Ų138.276%0.75966%0.657SS**  trans-77.854.2179-153.381.6000113R63H61-R63 PolarHBondContact O-N 3.1Å
62R78.1Confident77.3Confident220 Ų220128.3 Ų128.383%0.8362%0.621SS**PPolyproline II helixtrans-68.9118.1172.7-171.7175.4171.3-170.7-1108.5T60 K64T60-R62 PolarHBondContact O-N 3.43Å; R62-K64 PolarHBondContact O-N 2.83Å
63R80.3Confident79.3Confident213 Ų213122.5 Ų122.580%0.80459%0.594SS**PPolyproline II helixtrans-50.4134.5177-63.8-180-169.4154.43.1110H61 R65H61-R63 PolarHBondContact O-N 3.1Å; R63-R65 PolarHBondContact O-N 3.43Å
64K85.8Confident81.3Confident188 Ų188121.3 Ų121.382%0.81758%0.584SS**PPolyproline II helixtrans-55.4136.1176.7-61.9-65.6-175179.60109.8R62 R104R62-K64 PolarHBondContact O-N 2.83Å; K64-R104 PolarHBondContact O-NH2 3.46Å; K64-R104 VanDerWaalsContact O-NH2 3.16Å
65R92.1Very high83.2Confident208 Ų208116 Ų11679%0.78556%0.564SS**PPolyproline II helixtrans-75.6136-179-173.1177.4-179177.1-0.2109.3R63R63-R65 PolarHBondContact O-N 3.43Å
66T94.1Very high85.2Confident35 Ų35111.6 Ų111.622%0.21553%0.534CS..PPolyproline II helixtrans-79.9130.3170.2-56.10000109.2F68 L100 R104T66-F68 HydrophobicContact CG2-CE1 4.26Å; T66-F68 HydrophobicContact CG2-CZ 4.29Å; T66-L100 HydrophobicContact CG2-CD2 4.06Å; T66-R104 VanDerWaalsContact OG1-CD 3.28Å; T66-R104 WeakPolarHBondContact OG1-CD 3.24Å; T66-R104 PolarHBondContact OG1-NE 2.79Å; T66-R104 VanDerWaalsContact OG1-NE 3.09Å; T66-R104 PolarHBondContact OG1-NH1 3.4Å
67N95.6Very high87Confident135 Ų135111.3 Ų111.372%0.72253%0.527SS*.PPolyproline II helixtrans-99.4132.8167.3-67.7-62.2000108.2
68F97.6Very high88.9Confident65 Ų65115.4 Ų115.429%0.28553%0.533SS..PPolyproline II helixtrans-97.2136.1178.8-58.2-86.7000108.7T66 I73 L76 L100 W108T66-F68 HydrophobicContact CG2-CE1 4.26Å; T66-F68 HydrophobicContact CG2-CZ 4.29Å; F68-I73 HydrophobicContact CB-CD1 4.11Å; F68-I73 HydrophobicContact CB-CG1 3.79Å; F68-L76 HydrophobicContact CD1-CD1 4.42Å; F68-L100 HydrophobicContact CD1-CD1 3.54Å; F68-L100 HydrophobicContact CD1-CD2 4.16Å; F68-L100 HydrophobicContact CE1-CD1 3.74Å; F68-L100 HydrophobicContact CE1-CD2 4.27Å; F68-W108 HydrophobicContact CE1-CB 4.49Å; F68-W108 AromaticContact CE2-CD1 3.87Å; F68-W108 HydrophobicContact CZ-CB 4.18Å; F68-W108 AromaticContact CZ-CD1 3.8Å; F68-W108 HydrophobicContact CZ-CG 4.39Å
69T98.4Very high90.6Very high72 Ų72109.7 Ų109.744%0.44251%0.505SS..PPolyproline II helixtrans-73.5160.2169.6720000110Q71 Q72 I73T69-Q71 VanDerWaalsContact C-N 3.32Å; T69-Q71 PolarHBondContact O-N 3.46Å; T69-Q72 PolarHBondContact O-N 3.45Å; T69-Q72 VanDerWaalsContact OG1-CG 3.24Å; T69-Q72 WeakPolarHBondContact OG1-CG 3.41Å; T69-Q72 PolarHBondContact OG1-N 3.22Å; T69-Q72 PolarHBondContact OG1-OE1 2.82Å; T69-I73 WeakPolarHBondContact O-CG1 3.33Å; T69-I73 PolarHBondContact O-N 2.86Å; T69-I73 VanDerWaalsContact O-N 3.09Å
70Q98.1Very high92.3Very high119 Ų119103 Ų10356%0.55647%0.469SS*.Hα-helixtrans-59.8-43.3179-177.955.63100111.9Q72 I73 E74Q70-Q72 VanDerWaalsContact C-N 3.33Å; Q70-Q72 PolarHBondContact O-N 3.32Å; Q70-I73 WeakPolarHBondContact O-CB 3.34Å; Q70-I73 PolarHBondContact O-N 3.21Å; Q70-I73 VanDerWaalsContact O-N 3.14Å; Q70-E74 WeakPolarHBondContact CG-OE1 3.44Å; Q70-E74 PolarHBondContact NE2-OE1 3.19Å; Q70-E74 VanDerWaalsContact NE2-OE1 3.16Å; Q70-E74 WeakPolarHBondContact O-CG 3.35Å; Q70-E74 PolarHBondContact O-N 3.07Å
71Q98.3Very high94Very high145 Ų145102.1 Ų102.168%0.67847%0.467SS*.Hα-helixtrans-60.4-39.9176.5-68.7-177.3-33.400112.7T69 I73 E74 I75T69-Q71 VanDerWaalsContact C-N 3.32Å; T69-Q71 PolarHBondContact O-N 3.46Å; Q71-I73 VanDerWaalsContact C-N 3.35Å; Q71-E74 PolarHBondContact O-N 3.09Å; Q71-I75 WeakPolarHBondContact O-CG1 3.35Å; Q71-I75 PolarHBondContact O-N 3.28Å; Q71-I75 VanDerWaalsContact O-N 3.16Å
72Q98.5Very high95.3Very high32 Ų32100.4 Ų100.415%0.1546%0.463CS..Hα-helixtrans-63.9-42.4175.9-71.5168.5-19.700111.2T69 Q70 E74 I75 L76 T98 L100T69-Q72 PolarHBondContact O-N 3.45Å; T69-Q72 VanDerWaalsContact OG1-CG 3.24Å; T69-Q72 WeakPolarHBondContact OG1-CG 3.41Å; T69-Q72 PolarHBondContact OG1-N 3.22Å; T69-Q72 PolarHBondContact OG1-OE1 2.82Å; Q70-Q72 VanDerWaalsContact C-N 3.33Å; Q70-Q72 PolarHBondContact O-N 3.32Å; Q72-E74 VanDerWaalsContact C-N 3.35Å; Q72-I75 PolarHBondContact O-N 3.5Å; Q72-L76 WeakPolarHBondContact O-CB 3.24Å; Q72-L76 WeakPolarHBondContact O-CG 3.48Å; Q72-L76 PolarHBondContact O-N 3.35Å; Q72-L76 VanDerWaalsContact O-N 3.07Å; Q72-T98 PolarHBondContact NE2-O 3.26Å; Q72-L100 HydrophobicContact CB-CD1 4.08Å; Q72-L100 HydrophobicContact CG-CD1 4.13Å
73I98.5Very high96.3Very high42 Ų4292.2 Ų92.222%0.21544%0.438CS..Hα-helixtrans-61.5-44.8177.2-65.3167.9000110.3F68 T69 Q70 Q71 I75 L76 E77F68-I73 HydrophobicContact CB-CD1 4.11Å; F68-I73 HydrophobicContact CB-CG1 3.79Å; T69-I73 WeakPolarHBondContact O-CG1 3.33Å; T69-I73 PolarHBondContact O-N 2.86Å; T69-I73 VanDerWaalsContact O-N 3.09Å; Q70-I73 WeakPolarHBondContact O-CB 3.34Å; Q70-I73 PolarHBondContact O-N 3.21Å; Q70-I73 VanDerWaalsContact O-N 3.14Å; Q71-I73 VanDerWaalsContact C-N 3.35Å; I73-I75 PolarHBondContact O-N 3.43Å; I73-L76 PolarHBondContact O-N 2.98Å; I73-E77 HydrophobicContact CG2-CG 4.05Å; I73-E77 WeakPolarHBondContact O-CB 3.24Å; I73-E77 WeakPolarHBondContact O-CG 3.42Å; I73-E77 PolarHBondContact O-N 3.32Å
74E98.6Very high97.1Very high103 Ų10386.1 Ų86.148%0.48142%0.417SS..Hα-helixtrans-59.2-45.1179.6-73.6167.5-167.200112.5Q70 Q71 Q72 L76 E77 K78Q70-E74 WeakPolarHBondContact CG-OE1 3.44Å; Q70-E74 PolarHBondContact NE2-OE1 3.19Å; Q70-E74 VanDerWaalsContact NE2-OE1 3.16Å; Q70-E74 WeakPolarHBondContact O-CG 3.35Å; Q70-E74 PolarHBondContact O-N 3.07Å; Q71-E74 PolarHBondContact O-N 3.09Å; Q72-E74 VanDerWaalsContact C-N 3.35Å; E74-L76 VanDerWaalsContact C-N 3.35Å; E74-L76 PolarHBondContact O-N 2.78Å; E74-E77 PolarHBondContact O-N 3.49Å; E74-K78 WeakPolarHBondContact O-CB 3.42Å; E74-K78 PolarHBondContact O-N 3Å
75I98.5Very high97.7Very high62 Ų6284.8 Ų84.832%0.31841%0.408SS..Hα-helixtrans-61.3-45.9176.1-65.5165.8000110.5Q71 Q72 I73 E77 K78 V79 L94 T98Q71-I75 WeakPolarHBondContact O-CG1 3.35Å; Q71-I75 PolarHBondContact O-N 3.28Å; Q71-I75 VanDerWaalsContact O-N 3.16Å; Q72-I75 PolarHBondContact O-N 3.5Å; I73-I75 PolarHBondContact O-N 3.43Å; I75-E77 VanDerWaalsContact C-N 3.35Å; I75-E77 PolarHBondContact O-N 3.45Å; I75-K78 PolarHBondContact O-N 3.17Å; I75-V79 PolarHBondContact O-N 2.66Å; I75-V79 VanDerWaalsContact O-N 3.09Å; I75-L94 HydrophobicContact CG2-CD2 3.71Å; I75-T98 HydrophobicContact CB-CG2 4.25Å; I75-T98 HydrophobicContact CD1-CG2 4.26Å; I75-T98 HydrophobicContact CG2-CG2 3.96Å
76L98.6Very high98Very high0 Ų075.2 Ų75.20%037%0.373CS..Hα-helixtrans-65.1-38.5179.3-68.1170000112F68 Q72 I73 E74 V79 Y80 L94 L100 I105 W108 F109F68-L76 HydrophobicContact CD1-CD1 4.42Å; Q72-L76 WeakPolarHBondContact O-CB 3.24Å; Q72-L76 WeakPolarHBondContact O-CG 3.48Å; Q72-L76 PolarHBondContact O-N 3.35Å; Q72-L76 VanDerWaalsContact O-N 3.07Å; I73-L76 PolarHBondContact O-N 2.98Å; E74-L76 VanDerWaalsContact C-N 3.35Å; E74-L76 PolarHBondContact O-N 2.78Å; L76-V79 PolarHBondContact O-N 3.15Å; L76-Y80 WeakPolarHBondContact O-CB 3.41Å; L76-Y80 PolarHBondContact O-N 3.04Å; L76-L94 HydrophobicContact CD2-CD1 4.26Å; L76-L100 HydrophobicContact CD1-CD1 4.31Å; L76-I105 HydrophobicContact CD2-CG1 4.34Å; L76-I105 HydrophobicContact CD2-CG2 3.89Å; L76-W108 HydrophobicContact CB-CD2 4.17Å; L76-W108 HydrophobicContact CB-CE3 3.97Å; L76-W108 HydrophobicContact CB-CH2 3.65Å; L76-W108 HydrophobicContact CB-CZ2 3.83Å; L76-W108 HydrophobicContact CB-CZ3 3.73Å; L76-W108 HydrophobicContact CD1-CD2 3.87Å; L76-W108 HydrophobicContact CD1-CE3 4.33Å; L76-W108 HydrophobicContact CD1-CG 3.97Å; L76-F109 HydrophobicContact CD2-CE2 3.84Å
77E98.6Very high98.2Very high84 Ų8478.3 Ų78.339%0.39339%0.388SS..Hα-helixtrans-69.3-37.7176.8-74.4-164.4148.300112.5I73 E74 I75 Y80 S81 W108 R112I73-E77 HydrophobicContact CG2-CG 4.05Å; I73-E77 WeakPolarHBondContact O-CB 3.24Å; I73-E77 WeakPolarHBondContact O-CG 3.42Å; I73-E77 PolarHBondContact O-N 3.32Å; E74-E77 PolarHBondContact O-N 3.49Å; I75-E77 VanDerWaalsContact C-N 3.35Å; I75-E77 PolarHBondContact O-N 3.45Å; E77-Y80 CarbonylContact O-C 3.58Å; E77-Y80 WeakPolarHBondContact O-CB 3.39Å; E77-Y80 PolarHBondContact O-N 3.14Å; E77-S81 PolarHBondContact O-N 3.38Å; E77-W108 HydrophobicContact CG-CH2 3.8Å; E77-W108 HydrophobicContact CG-CZ2 3.92Å; E77-R112 IonicContact OE1-NE 3.8Å
78K98.4Very high98.3Very high147 Ų14774.5 Ų74.564%0.63937%0.367SS*.Hα-helixtrans-60.3-46.3172.1-176.3-179.9179.4179.70111.5E74 I75 Y80 S81 D82E74-K78 WeakPolarHBondContact O-CB 3.42Å; E74-K78 PolarHBondContact O-N 3Å; I75-K78 PolarHBondContact O-N 3.17Å; K78-Y80 VanDerWaalsContact C-N 3.29Å; K78-Y80 PolarHBondContact O-N 3.39Å; K78-S81 PolarHBondContact O-N 2.91Å; K78-S81 PolarHBondContact O-OG 3.5Å; K78-D82 PolarHBondContact O-N 2.88Å
79V98.5Very high98.4Very high22 Ų2279.6 Ų79.613%0.13339%0.386CS..Hα-helixtrans-67.7-34.5174.8176.70000111.4I75 L76 S81 D82 T83 L90 L94 F109I75-V79 PolarHBondContact O-N 2.66Å; I75-V79 VanDerWaalsContact O-N 3.09Å; L76-V79 PolarHBondContact O-N 3.15Å; V79-S81 VanDerWaalsContact C-N 3.3Å; V79-S81 PolarHBondContact O-N 3.45Å; V79-D82 PolarHBondContact O-N 3.05Å; V79-D82 VanDerWaalsContact O-N 3.11Å; V79-T83 HydrophobicContact CG1-CG2 4.12Å; V79-T83 PolarHBondContact O-N 3.07Å; V79-L90 HydrophobicContact CG1-CD2 3.87Å; V79-L90 HydrophobicContact CG1-CG 4.32Å; V79-L94 HydrophobicContact CB-CD1 4.3Å; V79-L94 HydrophobicContact CG1-CD1 4.14Å; V79-L94 HydrophobicContact CG2-CD1 4.27Å; V79-L94 HydrophobicContact CG2-CD2 3.84Å; V79-L94 HydrophobicContact CG2-CG 4.46Å; V79-F109 HydrophobicContact CB-CZ 4.23Å; V79-F109 HydrophobicContact CG1-CZ 4.02Å
80Y98.6Very high98.4Very high12 Ų1278.9 Ų78.95%0.04738%0.379CS..Hα-helixtrans-64-32.3176.4-172.4-101.5000112.7L76 E77 K78 D82 T83 K84 F109 R112 R113L76-Y80 WeakPolarHBondContact O-CB 3.41Å; L76-Y80 PolarHBondContact O-N 3.04Å; E77-Y80 CarbonylContact O-C 3.58Å; E77-Y80 WeakPolarHBondContact O-CB 3.39Å; E77-Y80 PolarHBondContact O-N 3.14Å; K78-Y80 VanDerWaalsContact C-N 3.29Å; K78-Y80 PolarHBondContact O-N 3.39Å; Y80-D82 VanDerWaalsContact C-N 3.3Å; Y80-T83 WeakPolarHBondContact CA-O 3.41Å; Y80-K84 HydrophobicContact CD1-CD 3.82Å; Y80-K84 HydrophobicContact CD2-CD 3.94Å; Y80-K84 HydrophobicContact CE1-CD 3.42Å; Y80-K84 VanDerWaalsContact CE1-CD 3.42Å; Y80-K84 HydrophobicContact CE2-CB 4.17Å; Y80-K84 HydrophobicContact CE2-CD 3.56Å; Y80-K84 HydrophobicContact CE2-CG 4.47Å; Y80-K84 HydrophobicContact CG-CD 4.06Å; Y80-K84 VanDerWaalsContact O-CD 3.26Å; Y80-K84 WeakPolarHBondContact O-CD 3.27Å; Y80-K84 VanDerWaalsContact O-CE 3.24Å; Y80-K84 WeakPolarHBondContact O-CE 3.43Å; Y80-K84 PolarHBondContact O-NZ 2.82Å; Y80-F109 AromaticContact CD2-CD1 3.74Å; Y80-F109 HydrophobicContact CD2-CD1 3.74Å; Y80-F109 AromaticContact CD2-CE1 3.81Å; Y80-F109 HydrophobicContact CD2-CE1 3.81Å; Y80-F109 HydrophobicContact CE2-CD1 4.47Å; Y80-F109 HydrophobicContact CG-CE1 4.42Å; Y80-R112 HydrophobicContact CD1-CG 3.92Å; Y80-R112 HydrophobicContact CD2-CB 4.37Å; Y80-R112 HydrophobicContact CD2-CG 3.8Å; Y80-R112 HydrophobicContact CE1-CG 3.74Å; Y80-R112 HydrophobicContact CE2-CB 4.06Å; Y80-R112 HydrophobicContact CE2-CG 3.61Å; Y80-R112 HydrophobicContact CG-CG 3.95Å; Y80-R113 HydrophobicContact CE2-CG 3.83Å
81S98.3Very high98.4Very high77 Ų7775.2 Ų75.254%0.53836%0.36SS..Hα-helixtrans-64.1-38.9172.353.60000111.7E77 K78 V79E77-S81 PolarHBondContact O-N 3.38Å; K78-S81 PolarHBondContact O-N 2.91Å; K78-S81 PolarHBondContact O-OG 3.5Å; V79-S81 VanDerWaalsContact C-N 3.3Å; V79-S81 PolarHBondContact O-N 3.45Å
82D98Very high98.4Very high127 Ų12772.9 Ų72.968%0.67935%0.349SS*.Hα-helixtrans-75.4-47.2-177.7-59.1-9000111.6K78 V79 Y80K78-D82 PolarHBondContact O-N 2.88Å; V79-D82 PolarHBondContact O-N 3.05Å; V79-D82 VanDerWaalsContact O-N 3.11Å; Y80-D82 VanDerWaalsContact C-N 3.3Å
83T98Very high98.4Very high48 Ų4879.8 Ų79.829%0.29437%0.374SS..  trans-143.4127.71761780000112.4V79 Y80 Y85 P86 L90V79-T83 HydrophobicContact CG1-CG2 4.12Å; V79-T83 PolarHBondContact O-N 3.07Å; Y80-T83 WeakPolarHBondContact CA-O 3.41Å; T83-Y85 VanDerWaalsContact C-N 3.25Å; T83-Y85 PolarHBondContact O-N 3.06Å; T83-Y85 PolarHBondContact OG1-N 3.09Å; T83-Y85 PolarHBondContact OG1-O 3.25Å; T83-P86 HydrophobicContact CG2-CB 4.26Å; T83-L90 HydrophobicContact CG2-CD2 3.73Å
84K98.1Very high98.4Very high86 Ų8678 Ų7837%0.37437%0.365SS..SBendtrans-75.7-16.4175.9-51.6-65.3170.6-158.60112.5Y80 R113Y80-K84 HydrophobicContact CD1-CD 3.82Å; Y80-K84 HydrophobicContact CD2-CD 3.94Å; Y80-K84 HydrophobicContact CE1-CD 3.42Å; Y80-K84 VanDerWaalsContact CE1-CD 3.42Å; Y80-K84 HydrophobicContact CE2-CB 4.17Å; Y80-K84 HydrophobicContact CE2-CD 3.56Å; Y80-K84 HydrophobicContact CE2-CG 4.47Å; Y80-K84 HydrophobicContact CG-CD 4.06Å; Y80-K84 VanDerWaalsContact O-CD 3.26Å; Y80-K84 WeakPolarHBondContact O-CD 3.27Å; Y80-K84 VanDerWaalsContact O-CE 3.24Å; Y80-K84 WeakPolarHBondContact O-CE 3.43Å; Y80-K84 PolarHBondContact O-NZ 2.82Å; K84-R113 WeakPolarHBondContact O-CD 3.2Å; K84-R113 PolarHBondContact O-NH1 3.24Å
85Y98.4Very high98.4Very high159 Ų15976.8 Ų76.862%0.62436%0.359SS*.SBendtrans-133.175.9-175-64.1-90.7000109.6T83 R113T83-Y85 VanDerWaalsContact C-N 3.25Å; T83-Y85 PolarHBondContact O-N 3.06Å; T83-Y85 PolarHBondContact OG1-N 3.09Å; T83-Y85 PolarHBondContact OG1-O 3.25Å; Y85-R113 VanDerWaalsContact CE1-CD 3.49Å; Y85-R113 VanDerWaalsContact CE1-NE 3.27Å
86P98.1Very high98.4Very high8 Ų878 Ų785%0.05238%0.379CS..  trans-67.3135.217829.3-36.6000110.7T83 L90 R91 F109T83-P86 HydrophobicContact CG2-CB 4.26Å; P86-L90 HydrophobicContact CB-CB 4.26Å; P86-L90 HydrophobicContact CB-CD2 3.72Å; P86-L90 HydrophobicContact CB-CG 4.02Å; P86-R91 HydrophobicContact CB-CG 4.08Å; P86-R91 HydrophobicContact CG-CG 3.98Å; P86-R91 PolarHBondContact O-NH1 3.47Å; P86-F109 VanDerWaalsContact CD-CD1 3.41Å; P86-F109 HydrophobicContact CG-CD1 3.6Å; P86-F109 HydrophobicContact CG-CD2 3.9Å; P86-F109 HydrophobicContact CG-CE1 3.61Å; P86-F109 HydrophobicContact CG-CE2 3.91Å; P86-F109 HydrophobicContact CG-CG 3.77Å; P86-F109 HydrophobicContact CG-CZ 3.78Å
87D98.5Very high98.4Very high100 Ų10083.3 Ų83.354%0.53541%0.406SS..  trans-71.4166.8174.2-172.126.8000112Y89 L90 R91D87-Y89 PolarHBondContact O-N 3.16Å; D87-L90 PolarHBondContact O-N 3.4Å; D87-L90 VanDerWaalsContact O-N 3.12Å; D87-R91 WeakPolarHBondContact O-CG 3.49Å; D87-R91 PolarHBondContact O-N 3.01Å
88I98.3Very high98.3Very high55 Ų5579.9 Ų79.928%0.28239%0.391SS..Hα-helixtrans-50.9-50.3-177.8-174.761.2000112.3L90 R91 E92 E102I88-L90 VanDerWaalsContact C-N 3.29Å; I88-L90 PolarHBondContact O-N 3.36Å; I88-R91 WeakPolarHBondContact O-CA 3.36Å; I88-R91 WeakPolarHBondContact O-CB 3.46Å; I88-R91 PolarHBondContact O-N 2.7Å; I88-E92 HydrophobicContact CD1-CG 4.48Å; I88-E92 WeakPolarHBondContact O-CG 3.39Å; I88-E92 PolarHBondContact O-N 3.09Å; I88-E102 HydrophobicContact CD1-CG 4.01Å; I88-E102 WeakPolarHBondContact CD1-OE1 3.19Å
89Y98.5Very high98.3Very high171 Ų17176.1 Ų76.167%0.67139%0.394SS*.Hα-helixtrans-62.2-35.8-179.4-60.4-68.8000113.2D87 R91 R93D87-Y89 PolarHBondContact O-N 3.16Å; Y89-R91 VanDerWaalsContact C-N 3.34Å; Y89-R93 PolarHBondContact O-N 3.44Å
90L98.6Very high98.3Very high57 Ų5775.5 Ų75.530%0.29839%0.39SS..Hα-helixtrans-70.9-34.7176.7-178.256.1000111.1V79 T83 P86 D87 I88 L94V79-L90 HydrophobicContact CG1-CD2 3.87Å; V79-L90 HydrophobicContact CG1-CG 4.32Å; T83-L90 HydrophobicContact CG2-CD2 3.73Å; P86-L90 HydrophobicContact CB-CB 4.26Å; P86-L90 HydrophobicContact CB-CD2 3.72Å; P86-L90 HydrophobicContact CB-CG 4.02Å; D87-L90 PolarHBondContact O-N 3.4Å; D87-L90 VanDerWaalsContact O-N 3.12Å; I88-L90 VanDerWaalsContact C-N 3.29Å; I88-L90 PolarHBondContact O-N 3.36Å; L90-L94 WeakPolarHBondContact O-CG 3.32Å; L90-L94 PolarHBondContact O-N 3.38Å
91R98.7Very high98.2Very high43 Ų4377.9 Ų77.916%0.16241%0.407CS..Hα-helixtrans-69.6-39.5174.6-62.5-167-56.1-85.50.5111.9P86 D87 I88 Y89 L94 E95 E102 I105P86-R91 HydrophobicContact CB-CG 4.08Å; P86-R91 HydrophobicContact CG-CG 3.98Å; P86-R91 PolarHBondContact O-NH1 3.47Å; D87-R91 WeakPolarHBondContact O-CG 3.49Å; D87-R91 PolarHBondContact O-N 3.01Å; I88-R91 WeakPolarHBondContact O-CA 3.36Å; I88-R91 WeakPolarHBondContact O-CB 3.46Å; I88-R91 PolarHBondContact O-N 2.7Å; Y89-R91 VanDerWaalsContact C-N 3.34Å; R91-L94 CarbonylContact O-C 3.59Å; R91-L94 WeakPolarHBondContact O-CB 3.28Å; R91-L94 PolarHBondContact O-N 2.9Å; R91-L94 VanDerWaalsContact O-N 3.15Å; R91-E95 PolarHBondContact O-N 3.17Å; R91-E102 HydrophobicContact CB-CG 3.91Å; R91-E102 IonicContact CZ-OE1 3.21Å; R91-E102 IonicContact NE-OE1 2.75Å; R91-E102 PolarHBondContact NE-OE1 3.19Å; R91-E102 IonicContact NH2-OE1 2.79Å; R91-E102 PolarHBondContact NH2-OE1 3.32Å; R91-I105 HydrophobicContact CB-CG2 4.39Å; R91-I105 HydrophobicContact CG-CG2 4.28Å
92E98.6Very high98.2Very high96 Ų9676.1 Ų76.145%0.44939%0.39SS..Hα-helixtrans-63-41.1173.4-69.7174.9163.200111.8I88 L94 E95 A96I88-E92 HydrophobicContact CD1-CG 4.48Å; I88-E92 WeakPolarHBondContact O-CG 3.39Å; I88-E92 PolarHBondContact O-N 3.09Å; E92-L94 VanDerWaalsContact C-N 3.28Å; E92-L94 PolarHBondContact O-N 3.46Å; E92-E95 WeakPolarHBondContact O-CB 3.21Å; E92-E95 PolarHBondContact O-N 3.32Å; E92-A96 PolarHBondContact O-N 3.03Å; E92-A96 VanDerWaalsContact O-N 3.1Å
93R98.5Very high98.2Very high176 Ų17672.9 Ų72.966%0.66438%0.377SS*.Hα-helixtrans-61.7-38.2172.5-174.3176.3-179.9179.31111.9Y89 E95 A96 L97Y89-R93 PolarHBondContact O-N 3.44Å; R93-E95 VanDerWaalsContact C-N 3.35Å; R93-A96 PolarHBondContact O-N 3.28Å; R93-L97 HydrophobicContact CG-CD1 4.36Å; R93-L97 WeakPolarHBondContact O-CG 3.45Å; R93-L97 PolarHBondContact O-N 3.12Å; R93-L97 VanDerWaalsContact O-N 3.13Å
94L98.6Very high98.2Very high4 Ų474.4 Ų74.42%0.02138%0.378CS..Hα-helixtrans-68.7-33.3175.4-76.2168.5000112.5I75 L76 V79 L90 R91 E92 L97 T98 I105 F109I75-L94 HydrophobicContact CG2-CD2 3.71Å; L76-L94 HydrophobicContact CD2-CD1 4.26Å; V79-L94 HydrophobicContact CB-CD1 4.3Å; V79-L94 HydrophobicContact CG1-CD1 4.14Å; V79-L94 HydrophobicContact CG2-CD1 4.27Å; V79-L94 HydrophobicContact CG2-CD2 3.84Å; V79-L94 HydrophobicContact CG2-CG 4.46Å; L90-L94 WeakPolarHBondContact O-CG 3.32Å; L90-L94 PolarHBondContact O-N 3.38Å; R91-L94 CarbonylContact O-C 3.59Å; R91-L94 WeakPolarHBondContact O-CB 3.28Å; R91-L94 PolarHBondContact O-N 2.9Å; R91-L94 VanDerWaalsContact O-N 3.15Å; E92-L94 VanDerWaalsContact C-N 3.28Å; E92-L94 PolarHBondContact O-N 3.46Å; L94-L97 PolarHBondContact O-N 3.35Å; L94-T98 WeakPolarHBondContact O-CB 3.36Å; L94-T98 WeakPolarHBondContact O-CG2 3.44Å; L94-T98 PolarHBondContact O-N 2.75Å; L94-T98 PolarHBondContact O-OG1 2.92Å; L94-I105 HydrophobicContact CB-CD1 3.81Å; L94-I105 HydrophobicContact CB-CG2 4.45Å; L94-I105 HydrophobicContact CD1-CG2 4.19Å; L94-F109 HydrophobicContact CD1-CE2 4.06Å; L94-F109 HydrophobicContact CD1-CZ 4.31Å
95E98.6Very high98.2Very high79 Ų7970.3 Ų70.337%0.36936%0.36SS..Hα-helixtrans-59.8-48172.2166164.2-158.100110.6R91 E92 R93 L97 T98 G99 L100 E102 I105R91-E95 PolarHBondContact O-N 3.17Å; E92-E95 WeakPolarHBondContact O-CB 3.21Å; E92-E95 PolarHBondContact O-N 3.32Å; R93-E95 VanDerWaalsContact C-N 3.35Å; E95-L97 VanDerWaalsContact C-N 3.28Å; E95-L97 PolarHBondContact O-N 2.79Å; E95-T98 PolarHBondContact O-N 2.89Å; E95-G99 WeakPolarHBondContact O-CA 3.49Å; E95-G99 PolarHBondContact O-N 3.02Å; E95-L100 VanDerWaalsContact CA-O 3.27Å; E95-L100 WeakPolarHBondContact CA-O 3.48Å; E95-L100 WeakPolarHBondContact CB-O 3.44Å; E95-L100 VanDerWaalsContact CG-O 3.24Å; E95-L100 WeakPolarHBondContact CG-O 3.49Å; E95-E102 WeakPolarHBondContact OE2-CB 3.41Å; E95-E102 PolarHBondContact OE2-N 3.37Å; E95-I105 HydrophobicContact CB-CD1 4Å; E95-I105 VanDerWaalsContact N-CD1 3.35Å
96A98.3Very high98.2Very high88 Ų8866.4 Ų66.473%0.72735%0.347SS*.Hα-helixtrans-60.3-36.3175.600000112.9E92 R93E92-A96 PolarHBondContact O-N 3.03Å; E92-A96 VanDerWaalsContact O-N 3.1Å; R93-A96 PolarHBondContact O-N 3.28Å
97L97.7Very high98.3Very high111 Ų11169.2 Ų69.258%0.58136%0.364SS*.Hα-helixtrans-79.5-35.9-179-70.9173.1000114R93 L94 E95R93-L97 HydrophobicContact CG-CD1 4.36Å; R93-L97 WeakPolarHBondContact O-CG 3.45Å; R93-L97 PolarHBondContact O-N 3.12Å; R93-L97 VanDerWaalsContact O-N 3.13Å; L94-L97 PolarHBondContact O-N 3.35Å; E95-L97 VanDerWaalsContact C-N 3.28Å; E95-L97 PolarHBondContact O-N 2.79Å
98T97.8Very high98.3Very high12 Ų1265.7 Ų65.77%0.07434%0.343CS..Hα-helixtrans-102.7-15.7-171.962.20000113.3Q72 I75 L94 E95 L100Q72-T98 PolarHBondContact NE2-O 3.26Å; I75-T98 HydrophobicContact CB-CG2 4.25Å; I75-T98 HydrophobicContact CD1-CG2 4.26Å; I75-T98 HydrophobicContact CG2-CG2 3.96Å; L94-T98 WeakPolarHBondContact O-CB 3.36Å; L94-T98 WeakPolarHBondContact O-CG2 3.44Å; L94-T98 PolarHBondContact O-N 2.75Å; L94-T98 PolarHBondContact O-OG1 2.92Å; E95-T98 PolarHBondContact O-N 2.89Å; T98-L100 PolarHBondContact O-N 2.81Å; T98-L100 PolarHBondContact OG1-N 3.07Å
99G97.9Very high98.3Very high67 Ų6763.2 Ų63.269%0.69133%0.33SS*.  trans69.415.5-172.800000113.6E95E95-G99 WeakPolarHBondContact O-CA 3.49Å; E95-G99 PolarHBondContact O-N 3.02Å
100L97.7Very high98.3Very high10 Ų1059.1 Ų59.15%0.05232%0.317CS..  trans-99.6135.6-180-62.8166.3000109.6T66 F68 Q72 L76 E95 T98 E102 I105T66-L100 HydrophobicContact CG2-CD2 4.06Å; F68-L100 HydrophobicContact CD1-CD1 3.54Å; F68-L100 HydrophobicContact CD1-CD2 4.16Å; F68-L100 HydrophobicContact CE1-CD1 3.74Å; F68-L100 HydrophobicContact CE1-CD2 4.27Å; Q72-L100 HydrophobicContact CB-CD1 4.08Å; Q72-L100 HydrophobicContact CG-CD1 4.13Å; L76-L100 HydrophobicContact CD1-CD1 4.31Å; E95-L100 VanDerWaalsContact CA-O 3.27Å; E95-L100 WeakPolarHBondContact CA-O 3.48Å; E95-L100 WeakPolarHBondContact CB-O 3.44Å; E95-L100 VanDerWaalsContact CG-O 3.24Å; E95-L100 WeakPolarHBondContact CG-O 3.49Å; T98-L100 PolarHBondContact O-N 2.81Å; T98-L100 PolarHBondContact OG1-N 3.07Å; L100-E102 PolarHBondContact O-N 3.42Å; L100-I105 HydrophobicContact CB-CD1 4.26Å; L100-I105 HydrophobicContact CB-CG1 4.04Å; L100-I105 WeakPolarHBondContact O-CD1 3.42Å
101P98Very high98.3Very high62 Ų6261.2 Ų61.240%0.40333%0.329SS..  trans-56142175.5-24.232.5000111.9S103 R104 I105P101-S103 PolarHBondContact O-N 3.1Å; P101-R104 HydrophobicContact CB-CG 4.27Å; P101-R104 HydrophobicContact CG-CG 4.26Å; P101-R104 WeakPolarHBondContact O-CA 3.39Å; P101-R104 WeakPolarHBondContact O-CB 3.49Å; P101-R104 PolarHBondContact O-N 2.93Å; P101-I105 PolarHBondContact O-N 3.48Å
102E98.1Very high98.2Very high39 Ų3961.9 Ų61.918%0.18233%0.331CS..Hα-helixtrans-45.3-44.2177.4-178.4-83.3164.700112.4I88 R91 E95 L100 R104 I105 Q106I88-E102 HydrophobicContact CD1-CG 4.01Å; I88-E102 WeakPolarHBondContact CD1-OE1 3.19Å; R91-E102 HydrophobicContact CB-CG 3.91Å; R91-E102 IonicContact CZ-OE1 3.21Å; R91-E102 IonicContact NE-OE1 2.75Å; R91-E102 PolarHBondContact NE-OE1 3.19Å; R91-E102 IonicContact NH2-OE1 2.79Å; R91-E102 PolarHBondContact NH2-OE1 3.32Å; E95-E102 WeakPolarHBondContact OE2-CB 3.41Å; E95-E102 PolarHBondContact OE2-N 3.37Å; L100-E102 PolarHBondContact O-N 3.42Å; E102-R104 VanDerWaalsContact C-N 3.28Å; E102-R104 PolarHBondContact O-N 3.11Å; E102-I105 CarbonylContact O-C 3.58Å; E102-I105 WeakPolarHBondContact O-CA 3.37Å; E102-I105 WeakPolarHBondContact O-CB 3.29Å; E102-I105 PolarHBondContact O-N 3.27Å; E102-I105 VanDerWaalsContact O-N 3.07Å; E102-Q106 PolarHBondContact O-N 2.8Å
103S97.8Very high98.2Very high59 Ų5959.4 Ų59.441%0.41332%0.318SS..Hα-helixtrans-59.6-35.2179630000113.4P101 V107P101-S103 PolarHBondContact O-N 3.1Å; S103-V107 VanDerWaalsContact O-CG2 3.29Å; S103-V107 WeakPolarHBondContact O-CG2 3.43Å; S103-V107 PolarHBondContact O-N 3.47Å
104R98.1Very high98.2Very high81 Ų8152.3 Ų52.331%0.30630%0.297SS..Hα-helixtrans-72.3-37.6176.9-63.3-58.8-178.4154.26.4111K64 T66 P101 E102 W108K64-R104 PolarHBondContact O-NH2 3.46Å; K64-R104 VanDerWaalsContact O-NH2 3.16Å; T66-R104 VanDerWaalsContact OG1-CD 3.28Å; T66-R104 WeakPolarHBondContact OG1-CD 3.24Å; T66-R104 PolarHBondContact OG1-NE 2.79Å; T66-R104 VanDerWaalsContact OG1-NE 3.09Å; T66-R104 PolarHBondContact OG1-NH1 3.4Å; P101-R104 HydrophobicContact CB-CG 4.27Å; P101-R104 HydrophobicContact CG-CG 4.26Å; P101-R104 WeakPolarHBondContact O-CA 3.39Å; P101-R104 WeakPolarHBondContact O-CB 3.49Å; P101-R104 PolarHBondContact O-N 2.93Å; E102-R104 VanDerWaalsContact C-N 3.28Å; E102-R104 PolarHBondContact O-N 3.11Å; R104-W108 WeakPolarHBondContact O-CB 3.49Å; R104-W108 PolarHBondContact O-N 2.72Å
105I98.4Very high98.1Very high0 Ų058.2 Ų58.20%032%0.323CS..Hα-helixtrans-64.9-47.3174-62.5166.1000109.6L76 R91 L94 E95 L100 P101 E102 V107 W108 F109L76-I105 HydrophobicContact CD2-CG1 4.34Å; L76-I105 HydrophobicContact CD2-CG2 3.89Å; R91-I105 HydrophobicContact CB-CG2 4.39Å; R91-I105 HydrophobicContact CG-CG2 4.28Å; L94-I105 HydrophobicContact CB-CD1 3.81Å; L94-I105 HydrophobicContact CB-CG2 4.45Å; L94-I105 HydrophobicContact CD1-CG2 4.19Å; E95-I105 HydrophobicContact CB-CD1 4Å; E95-I105 VanDerWaalsContact N-CD1 3.35Å; L100-I105 HydrophobicContact CB-CD1 4.26Å; L100-I105 HydrophobicContact CB-CG1 4.04Å; L100-I105 WeakPolarHBondContact O-CD1 3.42Å; P101-I105 PolarHBondContact O-N 3.48Å; E102-I105 CarbonylContact O-C 3.58Å; E102-I105 WeakPolarHBondContact O-CA 3.37Å; E102-I105 WeakPolarHBondContact O-CB 3.29Å; E102-I105 PolarHBondContact O-N 3.27Å; E102-I105 VanDerWaalsContact O-N 3.07Å; I105-V107 PolarHBondContact O-N 2.95Å; I105-W108 WeakPolarHBondContact O-CB 3.26Å; I105-W108 PolarHBondContact O-N 3.11Å; I105-W108 VanDerWaalsContact O-N 3.1Å; I105-F109 HydrophobicContact CG2-CD2 3.79Å; I105-F109 HydrophobicContact CG2-CE2 3.78Å; I105-F109 WeakPolarHBondContact O-CD2 3.36Å; I105-F109 PolarHBondContact O-N 3.44Å
106Q98.5Very high98Very high76 Ų7656.4 Ų56.436%0.35532%0.318SS..Hα-helixtrans-54.8-49.7176.6-172.3-164.7-7.900111.6E102 W108 F109 Q110E102-Q106 PolarHBondContact O-N 2.8Å; Q106-W108 VanDerWaalsContact C-N 3.34Å; Q106-W108 PolarHBondContact O-N 3.39Å; Q106-F109 PolarHBondContact O-N 2.78Å; Q106-Q110 WeakPolarHBondContact O-CG 3.49Å; Q106-Q110 PolarHBondContact O-N 3.49Å
107V98.3Very high97.9Very high67 Ų6759.7 Ų59.741%0.40631%0.312SS..Hα-helixtrans-63.8-39.4177.7171.70000111.3S103 I105 F109 Q110 N111S103-V107 VanDerWaalsContact O-CG2 3.29Å; S103-V107 WeakPolarHBondContact O-CG2 3.43Å; S103-V107 PolarHBondContact O-N 3.47Å; I105-V107 PolarHBondContact O-N 2.95Å; V107-F109 PolarHBondContact O-N 2.78Å; V107-Q110 PolarHBondContact O-N 3.34Å; V107-N111 WeakPolarHBondContact O-CB 3.49Å; V107-N111 VanDerWaalsContact O-CG 3.31Å; V107-N111 PolarHBondContact O-N 3.39Å; V107-N111 PolarHBondContact O-ND2 2.83Å
108W98.4Very high97.6Very high27 Ų2764.2 Ų64.210%0.10232%0.321CS..Hα-helixtrans-59.3-47.5175.8-173.9101.8000111.5F68 L76 E77 R104 I105 Q106 Q110 N111 R112F68-W108 HydrophobicContact CE1-CB 4.49Å; F68-W108 AromaticContact CE2-CD1 3.87Å; F68-W108 HydrophobicContact CZ-CB 4.18Å; F68-W108 AromaticContact CZ-CD1 3.8Å; F68-W108 HydrophobicContact CZ-CG 4.39Å; L76-W108 HydrophobicContact CB-CD2 4.17Å; L76-W108 HydrophobicContact CB-CE3 3.97Å; L76-W108 HydrophobicContact CB-CH2 3.65Å; L76-W108 HydrophobicContact CB-CZ2 3.83Å; L76-W108 HydrophobicContact CB-CZ3 3.73Å; L76-W108 HydrophobicContact CD1-CD2 3.87Å; L76-W108 HydrophobicContact CD1-CE3 4.33Å; L76-W108 HydrophobicContact CD1-CG 3.97Å; E77-W108 HydrophobicContact CG-CH2 3.8Å; E77-W108 HydrophobicContact CG-CZ2 3.92Å; R104-W108 WeakPolarHBondContact O-CB 3.49Å; R104-W108 PolarHBondContact O-N 2.72Å; I105-W108 WeakPolarHBondContact O-CB 3.26Å; I105-W108 PolarHBondContact O-N 3.11Å; I105-W108 VanDerWaalsContact O-N 3.1Å; Q106-W108 VanDerWaalsContact C-N 3.34Å; Q106-W108 PolarHBondContact O-N 3.39Å; W108-Q110 VanDerWaalsContact C-N 3.34Å; W108-Q110 PolarHBondContact O-N 3.31Å; W108-N111 PolarHBondContact O-N 3.24Å; W108-R112 HydrophobicContact CE3-CB 4.15Å; W108-R112 HydrophobicContact CH2-CB 4.2Å; W108-R112 HydrophobicContact CH2-CG 3.89Å; W108-R112 HydrophobicContact CZ3-CB 3.93Å; W108-R112 HydrophobicContact CZ3-CG 3.98Å; W108-R112 WeakPolarHBondContact O-CB 3.45Å; W108-R112 PolarHBondContact O-N 3.22Å
109F98.8Very high97.2Very high2 Ų268.3 Ų68.31%0.00934%0.34CS..Hα-helixtrans-63.7-38.1178-88-91.9000112.3L76 V79 Y80 P86 L94 I105 Q106 V107 R112 R113L76-F109 HydrophobicContact CD2-CE2 3.84Å; V79-F109 HydrophobicContact CB-CZ 4.23Å; V79-F109 HydrophobicContact CG1-CZ 4.02Å; Y80-F109 AromaticContact CD2-CD1 3.74Å; Y80-F109 HydrophobicContact CD2-CD1 3.74Å; Y80-F109 AromaticContact CD2-CE1 3.81Å; Y80-F109 HydrophobicContact CD2-CE1 3.81Å; Y80-F109 HydrophobicContact CE2-CD1 4.47Å; Y80-F109 HydrophobicContact CG-CE1 4.42Å; P86-F109 VanDerWaalsContact CD-CD1 3.41Å; P86-F109 HydrophobicContact CG-CD1 3.6Å; P86-F109 HydrophobicContact CG-CD2 3.9Å; P86-F109 HydrophobicContact CG-CE1 3.61Å; P86-F109 HydrophobicContact CG-CE2 3.91Å; P86-F109 HydrophobicContact CG-CG 3.77Å; P86-F109 HydrophobicContact CG-CZ 3.78Å; L94-F109 HydrophobicContact CD1-CE2 4.06Å; L94-F109 HydrophobicContact CD1-CZ 4.31Å; I105-F109 HydrophobicContact CG2-CD2 3.79Å; I105-F109 HydrophobicContact CG2-CE2 3.78Å; I105-F109 WeakPolarHBondContact O-CD2 3.36Å; I105-F109 PolarHBondContact O-N 3.44Å; Q106-F109 PolarHBondContact O-N 2.78Å; V107-F109 PolarHBondContact O-N 2.78Å; F109-R112 PolarHBondContact O-N 3.04Å; F109-R113 WeakPolarHBondContact O-CG 3.39Å; F109-R113 PolarHBondContact O-N 3.43Å
110Q98.6Very high96.3Very high85 Ų8569.8 Ų69.840%0.39734%0.335SS..Hα-helixtrans-61.2-48.7173.4-70.3177.736.600111.8Q106 V107 W108 R112 R113 A114Q106-Q110 WeakPolarHBondContact O-CG 3.49Å; Q106-Q110 PolarHBondContact O-N 3.49Å; V107-Q110 PolarHBondContact O-N 3.34Å; W108-Q110 VanDerWaalsContact C-N 3.34Å; W108-Q110 PolarHBondContact O-N 3.31Å; Q110-R112 VanDerWaalsContact C-N 3.33Å; Q110-R112 PolarHBondContact O-N 3.47Å; Q110-R113 PolarHBondContact O-N 3.42Å; Q110-A114 PolarHBondContact O-N 2.94Å
111N98.1Very high94.8Very high101 Ų10172.3 Ų72.354%0.5436%0.363SS..Hα-helixtrans-63.1-40.3178.2-72.4-19.9000111.6V107 W108 R113 A114 K115V107-N111 WeakPolarHBondContact O-CB 3.49Å; V107-N111 VanDerWaalsContact O-CG 3.31Å; V107-N111 PolarHBondContact O-N 3.39Å; V107-N111 PolarHBondContact O-ND2 2.83Å; W108-N111 PolarHBondContact O-N 3.24Å; N111-R113 PolarHBondContact O-N 2.94Å; N111-A114 WeakPolarHBondContact O-CB 3.38Å; N111-A114 PolarHBondContact O-N 2.81Å; N111-K115 PolarHBondContact O-N 3.46Å
112R98.3Very high93Very high58 Ų5873.6 Ų73.622%0.21937%0.374CS..Hα-helixtrans-62.4-42.8178.3-172.666.3-174.288.2-5.9111.7E77 Y80 W108 F109 Q110 K115 S116E77-R112 IonicContact OE1-NE 3.8Å; Y80-R112 HydrophobicContact CD1-CG 3.92Å; Y80-R112 HydrophobicContact CD2-CB 4.37Å; Y80-R112 HydrophobicContact CD2-CG 3.8Å; Y80-R112 HydrophobicContact CE1-CG 3.74Å; Y80-R112 HydrophobicContact CE2-CB 4.06Å; Y80-R112 HydrophobicContact CE2-CG 3.61Å; Y80-R112 HydrophobicContact CG-CG 3.95Å; W108-R112 HydrophobicContact CE3-CB 4.15Å; W108-R112 HydrophobicContact CH2-CB 4.2Å; W108-R112 HydrophobicContact CH2-CG 3.89Å; W108-R112 HydrophobicContact CZ3-CB 3.93Å; W108-R112 HydrophobicContact CZ3-CG 3.98Å; W108-R112 WeakPolarHBondContact O-CB 3.45Å; W108-R112 PolarHBondContact O-N 3.22Å; F109-R112 PolarHBondContact O-N 3.04Å; Q110-R112 VanDerWaalsContact C-N 3.33Å; Q110-R112 PolarHBondContact O-N 3.47Å; R112-K115 PolarHBondContact O-N 2.93Å; R112-S116 PolarHBondContact O-N 3.24Å
113R98.3Very high91.1Very high43 Ų4376.5 Ų76.516%0.16239%0.394CS..Hα-helixtrans-64.9-41.5173.6-70.7-167.8-61.6-92.63.1112.1Y80 K84 Y85 F109 Q110 N111 K115 S116 R117Y80-R113 HydrophobicContact CE2-CG 3.83Å; K84-R113 WeakPolarHBondContact O-CD 3.2Å; K84-R113 PolarHBondContact O-NH1 3.24Å; Y85-R113 VanDerWaalsContact CE1-CD 3.49Å; Y85-R113 VanDerWaalsContact CE1-NE 3.27Å; F109-R113 WeakPolarHBondContact O-CG 3.39Å; F109-R113 PolarHBondContact O-N 3.43Å; Q110-R113 PolarHBondContact O-N 3.42Å; N111-R113 PolarHBondContact O-N 2.94Å; R113-K115 VanDerWaalsContact C-N 3.34Å; R113-K115 PolarHBondContact O-N 3.31Å; R113-S116 WeakPolarHBondContact O-CB 3.5Å; R113-S116 PolarHBondContact O-N 3.06Å; R113-R117 PolarHBondContact O-N 3.42Å
114A97.8Very high89.1Confident28 Ų2882.8 Ų82.823%0.23141%0.414CS..Hα-helixtrans-59.7-44.4176.200000111.8Q110 N111 S116 R117 R118Q110-A114 PolarHBondContact O-N 2.94Å; N111-A114 WeakPolarHBondContact O-CB 3.38Å; N111-A114 PolarHBondContact O-N 2.81Å; A114-S116 VanDerWaalsContact C-N 3.35Å; A114-S116 PolarHBondContact O-N 3.04Å; A114-R117 PolarHBondContact O-N 3.07Å; A114-R118 WeakPolarHBondContact O-CG 3.4Å; A114-R118 PolarHBondContact O-N 2.86Å
115K96.8Very high87.1Confident128 Ų12883.4 Ų83.456%0.55744%0.437SS*.Hα-helixtrans-60.3-43.8174.2-168.3-176.3-178.4-179.90111.5N111 R112 R113 R117 R118 Q119N111-K115 PolarHBondContact O-N 3.46Å; R112-K115 PolarHBondContact O-N 2.93Å; R113-K115 VanDerWaalsContact C-N 3.34Å; R113-K115 PolarHBondContact O-N 3.31Å; K115-R117 PolarHBondContact O-N 2.79Å; K115-R118 PolarHBondContact O-N 3.02Å; K115-Q119 WeakPolarHBondContact O-CG 3.47Å; K115-Q119 PolarHBondContact O-N 3.36Å
116S95.9Very high84.6Confident40 Ų4088.1 Ų88.128%0.2847%0.47SS..Hα-helixtrans-59.9-43.4178.8-161.40000112.6R112 R113 A114 R118 Q119 V120R112-S116 PolarHBondContact O-N 3.24Å; R113-S116 WeakPolarHBondContact O-CB 3.5Å; R113-S116 PolarHBondContact O-N 3.06Å; A114-S116 VanDerWaalsContact C-N 3.35Å; A114-S116 PolarHBondContact O-N 3.04Å; S116-R118 VanDerWaalsContact C-N 3.33Å; S116-R118 PolarHBondContact O-N 2.76Å; S116-Q119 PolarHBondContact O-N 2.97Å; S116-V120 PolarHBondContact O-N 3.2Å
117R95.9Very high82.2Confident158 Ų15890.4 Ų90.460%0.59649%0.494SS*.Hα-helixtrans-64.3-37.4178.8-70.3-167.7-61.2-88.53.1112.6R113 A114 K115 Q119 G121R113-R117 PolarHBondContact O-N 3.42Å; A114-R117 PolarHBondContact O-N 3.07Å; K115-R117 PolarHBondContact O-N 2.79Å; R117-Q119 VanDerWaalsContact C-N 3.35Å; R117-G121 PolarHBondContact O-N 3.46Å
118R92.8Very high79.9Confident205 Ų20591.6 Ų91.677%0.77451%0.511SS*.Hα-helixtrans-65.4-37.4177.8-67.7176.3-176.2-128.61.6112.3A114 K115 S116 S122A114-R118 WeakPolarHBondContact O-CG 3.4Å; A114-R118 PolarHBondContact O-N 2.86Å; K115-R118 PolarHBondContact O-N 3.02Å; S116-R118 VanDerWaalsContact C-N 3.33Å; S116-R118 PolarHBondContact O-N 2.76Å; R118-S122 PolarHBondContact O-N 3.04Å
119Q87.8Confident77.4Confident99 Ų9996 Ų9646%0.46354%0.543SS..Hα-helixtrans-69-40.7-179.9-68.9175.119.900112.6K115 S116 R117 G121 S122K115-Q119 WeakPolarHBondContact O-CG 3.47Å; K115-Q119 PolarHBondContact O-N 3.36Å; S116-Q119 PolarHBondContact O-N 2.97Å; R117-Q119 VanDerWaalsContact C-N 3.35Å; Q119-G121 VanDerWaalsContact C-N 3.32Å; Q119-G121 PolarHBondContact O-N 3.34Å; Q119-S122 PolarHBondContact O-N 3.02Å
120V79.8Confident75.3Confident98 Ų98102.6 Ų102.659%0.59459%0.586SS**Hα-helixtrans-70.6-28.3179.8-179.20000112.2S116 T123S116-V120 PolarHBondContact O-N 3.2Å; V120-T123 PolarHBondContact O-OG1 3.44Å
121G65.9Low72.6Confident62 Ų62102.3 Ų102.364%0.63961%0.606SS**Hα-helixtrans-74.5-23.4176.500000114.7R117 Q119R117-G121 PolarHBondContact O-N 3.46Å; Q119-G121 VanDerWaalsContact C-N 3.32Å; Q119-G121 PolarHBondContact O-N 3.34Å
122S60Low69.7Low90 Ų90101 Ų10163%0.62962%0.616SS**Hα-helixtrans-87.9-18.2-175.9-171.80000114R118 Q119R118-S122 PolarHBondContact O-N 3.04Å; Q119-S122 PolarHBondContact O-N 3.02Å
123T59.8Low67.6Low99 Ų99104.3 Ų104.361%0.60765%0.645SS**THydrogen-bonded Turntrans-88.7-2.8-17352.70000114.4V120V120-T123 PolarHBondContact O-OG1 3.44Å
124K54.7Low65Low192 Ų192112.1 Ų112.184%0.83568%0.68SS**THydrogen-bonded Turntrans-93.63.8176.6-69.4-151.8174.9-173.50115.2
125A55.4Low62.1Low94 Ų94114.3 Ų114.378%0.77771%0.706SS**SBendtrans-108.517.6-179.600000114.5
126S47.6Very low60Low99 Ų99115 Ų11569%0.69271%0.712SS**  trans-122.775.8-179.751.40000111
127S46.8Very low57.5Low123 Ų123121.5 Ų121.586%0.8674%0.742SS**  trans-144.254162.268.50000110.5
128A51Low55Low92 Ų92119.5 Ų119.576%0.7674%0.74SS**SBendtrans-133.6144168.700000109.3
129P46Very low52.6Low120 Ų120113.6 Ų113.678%0.77973%0.73SS**  trans-74.9157.9-166.532-34.5000112.5G131P129-G131 PolarHBondContact O-N 3.48Å
130P54.5Low50.1Low140 Ų140119 Ų11991%0.90975%0.746SS**  trans-86.2114-17733.6-28.3000109.9
131G40.7Very low47.7Very low80 Ų80121 Ų12183%0.82575%0.75SS**  trans-176.6110.3172.400000113.5P129P129-G131 PolarHBondContact O-N 3.48Å
132G37.3Very low45.9Very low72 Ų72123.9 Ų123.974%0.74276%0.759SS**  trans112122.5159.700000115.5
133P54.6Low45Very low128 Ų128125.8 Ų125.883%0.83177%0.77SS**  trans-84.4143.617534.7-29.4000110.5
134F44.4Very low44Very low207 Ų207127.8 Ų127.891%0.90877%0.772SS**  trans67.5105.7158.7-147.8-98.2000117.9
135G36.3Very low43.2Very low75 Ų75127.9 Ų127.977%0.77377%0.772SS**  trans-174.960.1171.300000110.1L137G135-L137 PolarHBondContact O-N 3.28Å
136Q51.5Low42.7Very low143 Ų143129.6 Ų129.667%0.66877%0.768SS**  trans-73.5117.7167.5-163178.310.300108Q138Q136-Q138 VanDerWaalsContact CD-CG 3.41Å; Q136-Q138 HydrophobicContact CG-CG 3.6Å
137L43.7Very low42.4Very low176 Ų176131.1 Ų131.192%0.92177%0.765SS**  trans-103.596.5152.4-138.5132000106.9G135G135-L137 PolarHBondContact O-N 3.28Å
138Q44.6Very low42.3Very low116 Ų116133.1 Ų133.154%0.54276%0.761SS.*  trans-57.8164.2166.1-61.8178.3-7.100109.1Q136Q136-Q138 VanDerWaalsContact CD-CG 3.41Å; Q136-Q138 HydrophobicContact CG-CG 3.6Å
139S42.8Very low42Very low81 Ų81131.9 Ų131.957%0.56675%0.746SS**  162.5155.569.9-151.10000106.9
140R34.3Very low42Very low212 Ų212133.6 Ų133.680%0.874%0.742SS**SBend-170.314153.9-81.4-163.9152.5172.8-2.3108.8
141M28.6Very low41.7Very low139 Ų139132.7 Ų132.769%0.68573%0.729SS**  cis-154.5141.78.5-70.2-54.6-15600109.2
142C30Very low42.3Very low124 Ų124133 Ų13384%0.83872%0.715SS**  trans-157.7129.2146-157.30000107.7
143P40.1Very low42.9Very low130 Ų130139.8 Ų139.884%0.84472%0.718SS**  trans-79.4144.4-175.231.4-31.7000112
144E38Very low43Very low141 Ų141139.8 Ų139.866%0.65971%0.71SS**  trans-102116.9-174.7177.5-164.5128.800109.4
145K39.6Very low43.4Very low193 Ų193136.9 Ų136.984%0.83970%0.703SS**  trans-141.7143.3148.9-72.9-171.3179176.90106.9
146D43.9Very low43.7Very low130 Ų130137.6 Ų137.670%0.69570%0.697SS**  trans79.361-179.6-61-28.1000119.2
147Q42.7Very low43.1Very low132 Ų132140 Ų14062%0.61771%0.706SS**SBendtrans-90.2-5156.2-65.9-172.431.800113.6
148Q43.7Very low42.9Very low165 Ų165137.4 Ų137.477%0.77170%0.699SS**Hα-helixtrans-78.6-18.8179.2-118.492.415.600114.2T152Q148-T152 PolarHBondContact O-OG1 3.45Å
149S45.4Very low42.6Very low66 Ų66138.5 Ų138.546%0.46271%0.713SS.*Hα-helixtrans-88.7-31.1-173.353.90000114
150F44.3Very low42.1Very low156 Ų156143.5 Ų143.568%0.68472%0.721SS**Hα-helixtrans-77.2-32.4-177.4-96.6-88.8000114.2T152F150-T152 VanDerWaalsContact C-N 3.33Å
151L49.5Very low41.9Very low120 Ų120139.6 Ų139.663%0.62872%0.716SS**Hα-helixtrans-75.5-24.2176.5-63.8179.6000112.3L155L151-L155 PolarHBondContact O-N 3.3Å
152T52.3Low42.2Very low87 Ų87136.8 Ų136.853%0.53471%0.71SS.*Hα-helixtrans-72.8-29175.7-52.70000112.2Q148 F150 S156Q148-T152 PolarHBondContact O-OG1 3.45Å; F150-T152 VanDerWaalsContact C-N 3.33Å; T152-S156 PolarHBondContact O-OG 3.39Å; T152-S156 VanDerWaalsContact O-OG 3.11Å
153W50.5Low42.4Very low215 Ų215138.8 Ų138.881%0.81471%0.707SS**Hα-helixtrans-77.7-28.8177-159.968.5000113.7
154L57.6Low41.9Very low128 Ų128135.9 Ų135.967%0.6770%0.701SS**Hα-helixtrans-87.2-14.3179.7-72.9172.3000114
155L51.8Low41.6Very low145 Ų145136.3 Ų136.376%0.75971%0.713SS**SBendtrans-111.95.3-178.2-65.6176.5000114.8L151 F157L151-L155 PolarHBondContact O-N 3.3Å; L155-F157 VanDerWaalsContact C-N 3.35Å; L155-F157 PolarHBondContact O-N 3.36Å
156S43.8Very low41.3Very low91 Ų91134.3 Ų134.364%0.63671%0.707SS**  trans-84.372.2174.6-73.50000112.7T152T152-S156 PolarHBondContact O-OG 3.39Å; T152-S156 VanDerWaalsContact O-OG 3.11Å
157F37Very low40.9Very low194 Ų194135.2 Ų135.285%0.85172%0.716SS**  trans-113.2110.6146.1-81.3-79.7000106.9L155 V159L155-F157 VanDerWaalsContact C-N 3.35Å; L155-F157 PolarHBondContact O-N 3.36Å; F157-V159 PolarHBondContact O-N 3.39Å
158P40.3Very low40.4Very low121 Ų121135.6 Ų135.679%0.78672%0.718SS**  trans-75.8110172.429-28.9000108.8Y160P158-Y160 PolarHBondContact O-N 3.47Å
159V38.2Very low39.9Very low138 Ų138138.3 Ų138.384%0.83672%0.721SS**  trans-71.2101.61481710000105.1F157 D161F157-V159 PolarHBondContact O-N 3.39Å; V159-D161 PolarHBondContact O-N 2.96Å
160Y32.7Very low39.2Very low187 Ų187140.3 Ų140.373%0.73374%0.735SS**  trans-80.4111.1167.8-170.7-96.2000107.6P158P158-Y160 PolarHBondContact O-N 3.47Å
161D30Very low38.5Very low129 Ų129136.9 Ų136.969%0.6974%0.744SS**  trans-103.3146.9163-171.58000108.6V159V159-D161 PolarHBondContact O-N 2.96Å
162S35.9Very low37.5Very low80 Ų80135.1 Ų135.156%0.55976%0.755SS**  trans92.1105.9158.8-66.20000120.5
163H33.7Very low36.7Very low166 Ų166138 Ų13877%0.76977%0.766SS**  -149.1131.7113.142.4-89.8000110.1
164G29.8Very low36Very low70 Ų70134.9 Ų134.972%0.72276%0.76SS**  trans-82.7170.2-172.500000115
165T31.9Very low34.9Very low149 Ų149136.1 Ų136.191%0.91477%0.768SS**  trans-145.6124.3149.7-41.30000109.4
166E32.7Very low33.8Very low152 Ų152132.8 Ų132.871%0.7177%0.768SS**  trans-55.7134.9173.5176.6-173.516500113.9
167V34.5Very low33.2Very low148 Ų148140.2 Ų140.290%0.89778%0.782SS**  trans-148.3134.1140.7-175.70000110
168H32.8Very low33.1Very low140 Ų140138 Ų13865%0.64879%0.785SS**  trans-60.3155.5-177.6-88.5-138.4000118.8
169R32.3Very low32.8Very low222 Ų222135.3 Ų135.384%0.83878%0.779SS**  trans77.4112.9140.2-92.8-170.1-161.6-167.75.4122.2
170S30.7Very low32.4Very low109 Ų109135 Ų13576%0.76278%0.778SS**  139.6129.185.8-93.40000115.3
171G29.7Very low32.2Very low84 Ų84134.3 Ų134.387%0.86678%0.781SS**  trans83.4120.6152.900000116.5
172G29.3Very low32.7Very low83 Ų83135.9 Ų135.986%0.85679%0.788SS**  cis104.81052000000110.5
173L34.9Very low32.4Very low147 Ų147142 Ų14277%0.7781%0.805SS**  trans16894.9148.3-151.671.1000108.3
174E36.7Very low32.4Very low149 Ų149139.5 Ų139.570%0.69681%0.806SS**  45.6125.691.483-160.6147.300113.3
175D34.3Very low32.2Very low155 Ų155141.2 Ų141.283%0.82981%0.807SS**  cis-167.5165.944.4-86.5-50.9000112.2
176G29.1Very low32Very low74 Ų74139 Ų13976%0.76380%0.797SS**  trans132.377.1141.800000118
177W30.7Very low31.8Very low247 Ų247142.1 Ų142.194%0.93680%0.804SS**  trans-76.8152.5165-80.371.3000112.6
178T35.6Very low31.9Very low147 Ų147142.2 Ų142.290%0.90280%0.795SS**  trans152.2136.9146.842.20000106.9
179G32.8Very low31.8Very low65 Ų65145.6 Ų145.667%0.6780%0.802SS**  cis134.39618.600000108.6
180V30Very low31.7Very low132 Ų132142.6 Ų142.680%0.880%0.797SS**  trans76.1137141.6-1730000121.5
181Q29.5Very low32.4Very low173 Ų173145.1 Ų145.181%0.80880%0.802SS**  trans89.6104148.8-95.9174.2-85.500123.6
182L39.3Very low33.2Very low161 Ų161147.3 Ų147.384%0.84380%0.8SS**  26.3114.7111.4-155.876.8000119.2
183K29.9Very low33.3Very low210 Ų210148.6 Ų148.691%0.91380%0.796SS**  trans-160.5140.1133.3-116.5171.9-178.4177.20112.7
184S33.2Very low33.5Very low112 Ų112147.1 Ų147.178%0.78380%0.797SS**  trans-75.3146.1172.5173.70000112.1
185S27.2Very low33.6Very low107 Ų107147.7 Ų147.775%0.74880%0.803SS**  trans-172.1100.9155.3-174.50000108.7
186S27.7Very low33.7Very low101 Ų101150.5 Ų150.571%0.70680%0.804SS**  56102.291.6-68.20000115
187Y28.6Very low33.9Very low218 Ų218154.7 Ų154.786%0.85581%0.809SS**  -176.4144.897.9-151.8-101.6000112.4
188E35.2Very low34.1Very low150 Ų150151.4 Ų151.470%0.70180%0.801SS**  trans-64.4163.1-176.7-92.7-83.6166.800117
189R30.3Very low34Very low212 Ų212147.9 Ų147.980%0.879%0.794SS**  -174.6111.8125.1-100.3-166.2-137.3147.212114.7
190E30.9Very low34.4Very low158 Ų158152.3 Ų152.374%0.73881%0.808SS**  90.298.6127.9-54.6-82.514300119.3
191L45.9Very low34.6Very low163 Ų163157.2 Ų157.285%0.85381%0.812SS**PPolyproline II helixtrans-84.2149.4145.5-74.6158.7000109.9
192P47.1Very low34.8Very low129 Ų129153.1 Ų153.184%0.83881%0.808SS**PPolyproline II helixtrans-96.4136.2155.912.66000111.7
193S30.1Very low35.1Very low110 Ų110151.8 Ų151.877%0.76981%0.809SS**PPolyproline II helixtrans-81.1165.3-179.2630000114.3
194C39.9Very low35.3Very low116 Ų116146.4 Ų146.478%0.78480%0.804SS**PPolyproline II helixtrans-74.3140.516948.20000112.3
195I37.9Very low35.4Very low162 Ų162150.7 Ų150.783%0.83181%0.812SS**  trans-149.9138.5149.1-65.5-162.8000110.4
196Y36.6Very low35.8Very low213 Ų213153.7 Ų153.784%0.83581%0.814SS**  trans-56.9155.2171.4-93.3-108000114.9
197D33.4Very low36.3Very low162 Ų162157 Ų15787%0.86682%0.822SS**  trans-142.6147.1145.1-163.2-118000113.3
198K35.7Very low36.7Very low178 Ų178154.2 Ų154.277%0.77482%0.817SS**  trans-102.3135.7-169.6-74.2-145.3178.1-168.50112.4
199G32.7Very low36.9Very low74 Ų74155.1 Ų155.176%0.76382%0.824SS**  69.2113.6128.500000119.6
200T41.9Very low37.3Very low157 Ų157153.7 Ų153.796%0.96382%0.824SS**  trans-145.4153.2143.7-37.70000110.4
201R33.2Very low37.9Very low235 Ų235152.3 Ų152.389%0.88783%0.829SS**  trans-108.3131.8-150.5170.3-174.5-172.2-174.73.6112.5
202A34.8Very low37.4Very low88 Ų88149.7 Ų149.773%0.72783%0.831SS**  trans63.3165.3144.900000119.9
203P45.7Very low36.7Very low133 Ų133146.9 Ų146.986%0.86483%0.826SS**  cis-130.5-178.56.139.3-19.7000116.6
204A32.6Very low37.1Very low97 Ų97146.6 Ų146.680%0.80283%0.829SS**  trans-69.2152.9-169.300000116.4
205E35.9Very low37.4Very low201 Ų201147.4 Ų147.494%0.93983%0.831SS**  trans-140.5158.9142.8-125-170.5164.300110.6
206Q35.7Very low38Very low171 Ų171145.4 Ų145.480%0.79983%0.828SS**  trans-118.4113.1-140.6177.5179.731.100108.7
207I38.9Very low38.3Very low171 Ų171139.8 Ų139.888%0.87782%0.82SS**  trans-136.8123.7159.6-56.7-178.9000109.8
208Q37.3Very low38.6Very low159 Ų159138 Ų13874%0.74382%0.819SS**  trans-106.3113.9-168.3170.3176.431.400109.1
209I38.5Very low38.7Very low168 Ų168135.2 Ų135.286%0.86282%0.821SS**  trans-145.3130.6152.5-54.5-176.6000109.1
210K39.5Very low39.2Very low182 Ų182138.6 Ų138.679%0.79182%0.819SS**  trans-79.3165.5-173.4-75.6176.4178175.40113.8
211P43.7Very low39.2Very low129 Ų129136.8 Ų136.884%0.83881%0.81SS**  trans-94.3144.6-176.436.8-31.2000113.5
212A34.1Very low39.4Very low109 Ų109133.3 Ų133.390%0.90181%0.809SS**  trans-159.6139.6162.700000106.3
213G33.3Very low39.5Very low70 Ų70139.7 Ų139.772%0.72282%0.815SS**  cis173.8150.62.900000106.8
214A38.5Very low39.7Very low103 Ų103138.2 Ų138.285%0.85181%0.806SS**  trans50.3116.1150.200000121.5
215V46.7Very low39.9Very low134 Ų134140.7 Ų140.781%0.81281%0.806SS**  trans-60.7149.7152.6-177.30000111.1
216P49.8Very low40Very low119 Ų119139.7 Ų139.777%0.77380%0.801SS**  trans-123.6112.3147.532.2-18.4000109.5
217S42.3Very low40.7Very low96 Ų96137.9 Ų137.967%0.67180%0.796SS**  51.510777.8-158.60000113.7
218C39Very low40.6Very low123 Ų123136.7 Ų136.783%0.83179%0.787SS**  trans-55.2129.7170.348.50000112.1
219C38.6Very low40.6Very low121 Ų121137.1 Ų137.182%0.81879%0.789SS**  trans-137.9133.7165.5-76.10000110.4
220I42.8Very low40.5Very low144 Ų144138.3 Ų138.374%0.73879%0.79SS**  trans-66.2139.6-179.1-66.5-176.7000110.8L222I220-L222 PolarHBondContact O-N 2.92Å
221P43Very low40.6Very low119 Ų119135.2 Ų135.277%0.77379%0.789SS**  trans-79.9104.6161.4-8.526.3000109.8
222L37.8Very low40.3Very low162 Ų162141 Ų14185%0.84879%0.793SS**PPolyproline II helixtrans-75.2127.2159-75.4164.6000107.7I220I220-L222 PolarHBondContact O-N 2.92Å
223Y36.8Very low40.4Very low222 Ų222142 Ų14287%0.87179%0.789SS**PPolyproline II helixtrans-83.7148.6174.3-122.2-96000110.5
224P49.4Very low40.7Very low102 Ų102148.7 Ų148.766%0.66280%0.798SS**PPolyproline II helixtrans-81.3150.8-170.3-7.326.2000113.8
225D37.2Very low40.5Very low149 Ų149149.8 Ų149.880%0.79780%0.795SS**PPolyproline II helixtrans-78.5127.3173.9-154.7-3.1000109.7
226E37.9Very low40Very low181 Ų181148.8 Ų148.885%0.84679%0.793SS**  trans-119.3109.4173.8-74.2-79.8141.800108.6
227L49.8Very low39.5Very low133 Ų133150.8 Ų150.870%0.69679%0.794SS**  trans-89.6143.1176.8-141.790.9000110.1
228E37.1Very low39.8Very low145 Ų145152.4 Ų152.468%0.67880%0.802SS**  trans80.3122.7156.5-53.7-92.7134.600118.2
229H35.9Very low39.5Very low169 Ų169149.8 Ų149.878%0.78280%0.796SS**  168108.5108.4-86.975.2000110.3
230H37.6Very low39.4Very low193 Ų193150.7 Ų150.789%0.89479%0.793SS**  trans-74.8144.1161.7-84-72.1000110.5
231P42.3Very low39.9Very low117 Ų117153 Ų15376%0.7680%0.8SS**  trans-131.6135.813331-17.8000113
232R36.8Very low39.8Very low249 Ų249149.9 Ų149.994%0.9479%0.79SS**  trans-71.6128.9166.5-81.2-176.4169.2177-2.7110
233T35.5Very low40.4Very low131 Ų131148.2 Ų148.280%0.80479%0.789SS**  trans-130.2130.9157.245.30000111
234K39.4Very low40.9Very low210 Ų210146.1 Ų146.191%0.91379%0.787SS**  trans-68.2132.8-176.3-59.5167-179.5174.90109.8
235T34.7Very low41Very low127 Ų127148.3 Ų148.378%0.77979%0.792SS**  trans-111.9118.3173.6-630000109.9
236S37.4Very low41.6Very low112 Ų112148.3 Ų148.378%0.78379%0.791SS**  trans-84130159.152.60000109.3
237M39.1Very low42.4Very low161 Ų161144.4 Ų144.479%0.79378%0.78SS**  trans-67.8159.2168.5-65.4-62.9-89.500109.8
238P48Very low42.6Very low130 Ų130144.7 Ų144.784%0.84478%0.777SS**  cis-147.416542.539.2-18.1000117.4
239G33.3Very low43.4Very low68 Ų68146.6 Ų146.670%0.70178%0.78SS**  trans138.6108.6152.700000116.1
240N36.4Very low44.4Very low141 Ų141145 Ų14575%0.75478%0.777SS**  trans81.282.8144.2-133.93.8000119.3G242N240-G242 PolarHBondContact O-N 3.35Å
241Q52.6Low45.2Very low191 Ų191142.6 Ų142.689%0.89377%0.771SS**  31.488.9124.9-51.4-174.397.500117.3
242G40.9Very low45.8Very low54 Ų54144.4 Ų144.456%0.55777%0.767SS**  trans-127.2140147.100000107.6N240 Q244N240-G242 PolarHBondContact O-N 3.35Å; G242-Q244 PolarHBondContact O-N 3.39Å
243P50.2Low46.6Very low128 Ų128137.6 Ų137.683%0.83176%0.755SS**  trans-67.2107179.927.1-30.3000108.2I245P243-I245 PolarHBondContact O-N 3.31Å
244Q48Very low47.3Very low177 Ų177137 Ų13783%0.82775%0.753SS**  trans-60.2109.5165.1-64-74.329.100106.2G242 L246G242-Q244 PolarHBondContact O-N 3.39Å; Q244-L246 PolarHBondContact O-N 3.33Å
245I51.1Low47.7Very low149 Ų149134 Ų13476%0.76475%0.747SS**  trans-6979.6159.8-66.2174.2000105.1P243 V247P243-I245 PolarHBondContact O-N 3.31Å; I245-V247 HydrophobicContact CG2-CG1 4.11Å; I245-V247 PolarHBondContact O-N 3.45Å
246L50.1Low48.8Very low148 Ų148137.9 Ų137.978%0.77575%0.753SS**  trans-6496.1153-176.370.8000103.6Q244 E248Q244-L246 PolarHBondContact O-N 3.33Å; L246-E248 PolarHBondContact O-N 3.34Å
247V54.9Low49.7Very low100 Ų100138 Ų13861%0.60675%0.749SS**  trans-60.391.6161.3-97.80000105.5I245 Y249I245-V247 HydrophobicContact CG2-CG1 4.11Å; I245-V247 PolarHBondContact O-N 3.45Å; V247-Y249 VanDerWaalsContact C-N 3.33Å; V247-Y249 HydrophobicContact CB-CD2 4.3Å; V247-Y249 HydrophobicContact CB-CE2 4.31Å; V247-Y249 HydrophobicContact CG2-CD2 4.4Å; V247-Y249 HydrophobicContact CG2-CE2 4.16Å; V247-Y249 WeakPolarHBondContact O-CD2 3.42Å; V247-Y249 PolarHBondContact O-N 3.45Å
248E53Low50.7Low138 Ų138136.8 Ų136.865%0.64575%0.745SS**  trans-59.399.7168.7-173.9170.7-154.200106L246 D250L246-E248 PolarHBondContact O-N 3.34Å; E248-D250 HydrophobicContact CG-CB 4.1Å; E248-D250 PolarHBondContact O-N 3.24Å
249Y53.8Low51.3Low185 Ų185131.5 Ų131.573%0.72571%0.714SS**  trans-74.232.7-179.3-103.2-88.4000112.1V247 F252V247-Y249 VanDerWaalsContact C-N 3.33Å; V247-Y249 HydrophobicContact CB-CD2 4.3Å; V247-Y249 HydrophobicContact CB-CE2 4.31Å; V247-Y249 HydrophobicContact CG2-CD2 4.4Å; V247-Y249 HydrophobicContact CG2-CE2 4.16Å; V247-Y249 WeakPolarHBondContact O-CD2 3.42Å; V247-Y249 PolarHBondContact O-N 3.45Å; Y249-F252 HydrophobicContact CD1-CD2 4.43Å; Y249-F252 AromaticContact CD1-CE2 3.94Å; Y249-F252 HydrophobicContact CD1-CE2 3.94Å; Y249-F252 HydrophobicContact CE1-CE2 4.1Å
250D58.3Low52.6Low137 Ų137134.7 Ų134.773%0.73372%0.722SS**  trans-110.318.2-176.4-125.4-13.4000113.1E248E248-D250 HydrophobicContact CG-CB 4.1Å; E248-D250 PolarHBondContact O-N 3.24Å
251N53.8Low54Low142 Ų142134.4 Ų134.476%0.75972%0.716SS**  trans-111.427.5173-71.2-52.4000112.9
252F53.5Low54.3Low155 Ų155131.4 Ų131.468%0.6870%0.704SS**SBendtrans-69.3122160.1-94.4-96.4000107.7Y249Y249-F252 HydrophobicContact CD1-CD2 4.43Å; Y249-F252 AromaticContact CD1-CE2 3.94Å; Y249-F252 HydrophobicContact CD1-CE2 3.94Å; Y249-F252 HydrophobicContact CE1-CE2 4.1Å
253P53.7Low55.3Low105 Ų105137.6 Ų137.668%0.68272%0.715SS**  trans-55.2132.6169.624.8-31.4000106.5N255P253-N255 PolarHBondContact O-N 3.39Å
254P50.5Low56.1Low119 Ų119136.9 Ų136.977%0.77371%0.708SS**  trans-54.2115.6-177.521.8-31.4000106.2K256P254-K256 PolarHBondContact O-N 2.83Å
255N48.2Very low57.2Low146 Ų146134.2 Ų134.278%0.78170%0.704SS**  trans-45.2123.8165.5-128.1-19.6000103.9P253 T257P253-N255 PolarHBondContact O-N 3.39Å; N255-T257 PolarHBondContact O-N 3.27Å
256K58.4Low58.1Low209 Ų209133.5 Ų133.591%0.90970%0.7SS**  trans-69.364.6166.2-64.1-178.7-177.1-1760106.4P254 I258P254-K256 PolarHBondContact O-N 2.83Å; K256-I258 PolarHBondContact O-N 3.06Å; K256-I258 VanDerWaalsContact O-N 3.08Å
257T56.3Low58.9Low115 Ų115131.1 Ų131.171%0.70669%0.694SS**  trans-53.4113.6154.9-510000103.1N255 G259N255-T257 PolarHBondContact O-N 3.27Å; T257-G259 VanDerWaalsContact C-N 3.3Å; T257-G259 PolarHBondContact O-N 2.76Å
258I58.6Low59.7Low135 Ų135132.2 Ų132.269%0.69270%0.703SS**  trans-42102.5164.9-102.9151.2000106.7K256 M262K256-I258 PolarHBondContact O-N 3.06Å; K256-I258 VanDerWaalsContact O-N 3.08Å; I258-M262 HydrophobicContact CD1-CE 4.19Å; I258-M262 HydrophobicContact CG1-CE 3.41Å; I258-M262 VanDerWaalsContact CG1-CE 3.41Å
259G61.6Low60.1Low19 Ų19132.9 Ų132.920%0.19671%0.71CS.*  trans-75.2150.4171.800000108.6T257 E261 M262T257-G259 VanDerWaalsContact C-N 3.3Å; T257-G259 PolarHBondContact O-N 2.76Å; G259-E261 WeakPolarHBondContact CA-OE1 3.39Å; G259-E261 PolarHBondContact O-N 3.47Å; G259-M262 PolarHBondContact O-N 3.34Å
260P61.6Low60.4Low135 Ų135129.8 Ų129.888%0.87771%0.713SS**THydrogen-bonded Turntrans-63.6-3.9178.925.7-30.9000113.5
261E64.3Low60.3Low136 Ų136129.1 Ų129.164%0.63671%0.714SS**THydrogen-bonded Turntrans-98.83.8178.751.6-79150.800115.2G259 K263G259-E261 WeakPolarHBondContact CA-OE1 3.39Å; G259-E261 PolarHBondContact O-N 3.47Å; E261-K263 VanDerWaalsContact C-N 3.27Å; E261-K263 PolarHBondContact O-N 2.98Å
262M58.6Low60.5Low127 Ų127130.1 Ų130.163%0.62671%0.714SS**  trans-70.590.2171.5-160.1144.667.800109.2I258 G259 V264I258-M262 HydrophobicContact CD1-CE 4.19Å; I258-M262 HydrophobicContact CG1-CE 3.41Å; I258-M262 VanDerWaalsContact CG1-CE 3.41Å; G259-M262 PolarHBondContact O-N 3.34Å; M262-V264 PolarHBondContact O-N 3.08Å
263K63.3Low60.5Low184 Ų184130.8 Ų130.880%0.872%0.719SS**  trans-64.884.4176.4-63.1172.5-169.2-80.10108.5E261 V265E261-K263 VanDerWaalsContact C-N 3.27Å; E261-K263 PolarHBondContact O-N 2.98Å; K263-V265 HydrophobicContact CB-CG2 4.45Å; K263-V265 PolarHBondContact O-N 3.43Å
264V67.4Low60.2Low113 Ų113131.1 Ų131.169%0.68572%0.724SS**  trans-6891.4162.4-173.50000105.5M262 I266M262-V264 PolarHBondContact O-N 3.08Å; V264-I266 VanDerWaalsContact C-N 3.27Å; V264-I266 HydrophobicContact CG1-CG1 4.02Å; V264-I266 PolarHBondContact O-N 3.04Å
265V70.2Confident60Low121 Ų121133.7 Ų133.773%0.73372%0.723SS**  trans-7192.2172.1-179.10000106K263 P267K263-V265 HydrophobicContact CB-CG2 4.45Å; K263-V265 PolarHBondContact O-N 3.43Å; V265-P267 VanDerWaalsContact O-CD 3.24Å; V265-P267 WeakPolarHBondContact O-CD 3.39Å
266I69.8Low59.7Low135 Ų135132.4 Ų132.469%0.69273%0.726SS**  trans-72113.8168.2-57.1175.1000105.4V264V264-I266 VanDerWaalsContact C-N 3.27Å; V264-I266 HydrophobicContact CG1-CG1 4.02Å; V264-I266 PolarHBondContact O-N 3.04Å
267P67.7Low59Low97 Ų97133.5 Ų133.563%0.6372%0.724SS**PPolyproline II helixtrans-57.9136.6175.821.3-29.6000109.3V265 L269V265-P267 VanDerWaalsContact O-CD 3.24Å; V265-P267 WeakPolarHBondContact O-CD 3.39Å; P267-L269 PolarHBondContact O-N 2.67Å
268P70.5Confident58.3Low123 Ų123133.1 Ų133.180%0.79973%0.726SS**PPolyproline II helixtrans-59.9130.9-17824.4-32.6000109.5
269L61.1Low57.2Low152 Ų152131.9 Ų131.980%0.79673%0.73SS**PPolyproline II helixtrans-59.9134.1170.3-67.7169.7000108P267 T271P267-L269 PolarHBondContact O-N 2.67Å; L269-T271 PolarHBondContact O-N 3.49Å
270P60.5Low56.4Low121 Ų121136.9 Ų136.979%0.78676%0.759SS**  trans-59.9113.9179.123.3-31.7000109.3Q272P270-Q272 PolarHBondContact O-N 3.47Å
271T57.5Low55.3Low122 Ų122138.2 Ų138.275%0.74875%0.753SS**  trans-63.7118.9171.339.70000108.4L269 E273L269-T271 PolarHBondContact O-N 3.49Å; T271-E273 VanDerWaalsContact C-N 3.29Å; T271-E273 PolarHBondContact O-N 3.37Å
272Q57.2Low54Low163 Ų163137.8 Ų137.876%0.76276%0.755SS**SBendtrans-68.387.5172.3-72.1-151.8-3.700110.1P270P270-Q272 PolarHBondContact O-N 3.47Å
273E53.3Low53.3Low169 Ų169141.1 Ų141.179%0.7977%0.766SS**  trans-118.73161-71.5-158.2153.800112.8T271T271-E273 VanDerWaalsContact C-N 3.29Å; T271-E273 PolarHBondContact O-N 3.37Å
274S48.6Very low52.1Low112 Ų112142 Ų14278%0.78377%0.773SS**SBendtrans-104.820.6-177.8-41.10000114.8
275F45.3Very low50.8Low173 Ų173139.8 Ų139.876%0.75977%0.774SS**  trans-117.347.4166.2-69.3-71.1000111.1R277F275-R277 PolarHBondContact O-N 3.38Å
276S42.5Very low49.5Very low120 Ų120143.2 Ų143.284%0.83978%0.782SS**  trans-73.376.3156.6-65.60000108.7
277R43.9Very low48Very low232 Ų232145.3 Ų145.388%0.87579%0.79SS**  trans-101.3100.7164.6-158173.6-179.4-176.1-0.4107.6F275F275-R277 PolarHBondContact O-N 3.38Å
278S40.4Very low46.5Very low107 Ų107151.8 Ų151.875%0.74880%0.802SS**  trans-4.9125.1168.423.70000118.8
279S35.4Very low44.8Very low109 Ų109156.3 Ų156.376%0.76281%0.805SS**PPolyproline II helixtrans-53.8138160.7178.10000113.8
280P45.4Very low43.8Very low124 Ų124155 Ų15581%0.80581%0.805SS**PPolyproline II helixtrans-101.1128147.6515.4000110.3
281Q39.2Very low42.7Very low163 Ų163157.6 Ų157.676%0.76281%0.807SS**PPolyproline II helixtrans-58.4153.9178.3-103.6172.9-10.700115
282D36.9Very low42Very low126 Ų126157.3 Ų157.367%0.67481%0.807SS**  trans72.8106.1147.4-56.3-17.1000118.7
283K43.5Very low40.9Very low197 Ų197159.4 Ų159.486%0.85781%0.814SS**  174.614585.7-78.4-155.4-179.5-173.30111.3
284E38.6Very low40.3Very low202 Ų202155.9 Ų155.994%0.94481%0.814SS**  trans-46.1137.9173.1-70.8159.9121.700113.4
285G38.9Very low39.8Very low68 Ų68157 Ų15770%0.70182%0.816SS**  trans-176.989.5175.100000112.7M287G285-M287 PolarHBondContact O-N 2.8Å
286Q43Very low39.6Very low193 Ų193156.2 Ų156.290%0.90282%0.815SS**  trans-49.9112.2174.2-162.7161.226.300111.9R288Q286-R288 PolarHBondContact O-N 3.47Å
287M38.8Very low39.1Very low178 Ų178160.9 Ų160.988%0.87781%0.814SS**  trans-72.197.8174.6-94.3-144.6-156.600110.7G285G285-M287 PolarHBondContact O-N 2.8Å
288R36.9Very low38.8Very low233 Ų233158.6 Ų158.688%0.87981%0.81SS**PPolyproline II helixtrans-83.5124.8155.8-95.6-169.3175.4179.70.5108.9Q286 P290Q286-R288 PolarHBondContact O-N 3.47Å; R288-P290 WeakPolarHBondContact O-CD 3.19Å
289Y34.3Very low39Very low219 Ų219159.9 Ų159.986%0.85981%0.809SS**PPolyproline II helixtrans-65.2128.3169.8-70.1-86.8000111.2
290P40.1Very low39.2Very low123 Ų123163.9 Ų163.980%0.79982%0.816SS**PPolyproline II helixtrans-93.2128.2169.22.617.3000111.4R288R288-P290 WeakPolarHBondContact O-CD 3.19Å
291Q37.6Very low38.9Very low177 Ų177168 Ų16883%0.82782%0.821SS**PPolyproline II helixtrans-68.2144.2163-95.5-93.2-25.700111
292P41.3Very low39Very low115 Ų115165.6 Ų165.675%0.74782%0.82SS**PPolyproline II helixtrans-82.8129.4-178.931.9-30.8000111.6
293K34.9Very low39.5Very low208 Ų208165.4 Ų165.490%0.90483%0.825SS**  trans-117.5134.3159.1-76.3-173.5177.7-179.60109
294A41.2Very low39.1Very low95 Ų95162.8 Ų162.879%0.78583%0.826SS**  trans-64.3148.617900000112.5
295T37.5Very low38.9Very low135 Ų135162.8 Ų162.883%0.82882%0.823SS**  -178.7141.7127.5-68.20000109.8
296E40.6Very low39Very low157 Ų157165.3 Ų165.373%0.73483%0.83SS**  trans-33.6143.8174.1-54.2177.214500117.9
297R32.8Very low38.7Very low217 Ų217159.8 Ų159.882%0.81983%0.825SS**  160.7126.7107.9-88.3-170.7-175.2-172.91.3113.2
298F36.4Very low38.6Very low184 Ų184160.6 Ų160.681%0.80783%0.827SS**  trans57.8106.6138.1-98.8-103.7000122.1
299N45.4Very low39.1Very low134 Ų134155.4 Ų155.472%0.71782%0.821SS**  trans22.4109.7136-62.9-41000119.8
300Q40.1Very low39.4Very low194 Ų194153.8 Ų153.891%0.90782%0.821SS**  trans-164.8112.5143.4-111.5158.920.900110.8
301F38.7Very low39.9Very low209 Ų209155.7 Ų155.792%0.91783%0.825SS**  trans-104.1139.4164.9-83.6-81.9000109
302P41.8Very low40.1Very low114 Ų114154.9 Ų154.974%0.7482%0.824SS**PPolyproline II helixtrans-85.8152.5169.532.4-29.6000112.3
303P46.6Very low40.3Very low121 Ų121155.2 Ų155.279%0.78683%0.829SS**PPolyproline II helixtrans-86.6155.6-169.234.9-34000114.1
304V36Very low41.1Very low142 Ų142153.1 Ų153.186%0.86183%0.828SS**PPolyproline II helixtrans-82133.7-177.7177.10000111.4
305F33.5Very low41.9Very low202 Ų202154.3 Ų154.389%0.88683%0.83SS**PPolyproline II helixtrans-91.8128.7164.8-89.4-86.7000110.3
306S42.4Very low42.7Very low121 Ų121154.7 Ų154.785%0.84683%0.828SS**PPolyproline II helixtrans-87.3130.5169.444.80000110.6
307G35.8Very low43.4Very low78 Ų78148.8 Ų148.880%0.80480%0.803SS**  trans-142.7144.3176.200000111.9
308E36.5Very low44.6Very low195 Ų195145.5 Ų145.591%0.91180%0.802SS**  trans-60.8168-160.8-91.4161.2102.500120.5
309T46.9Very low46.2Very low123 Ų123145 Ų14576%0.75580%0.795SS**  trans-47.3144.6177.249.80000118.4
310Q41.8Very low46.9Very low186 Ų186143.6 Ų143.687%0.86978%0.784SS**  trans-144.1115.8150.6-156.6103.938.100110.3
311D50.4Low47.8Very low163 Ų163137.4 Ų137.487%0.87276%0.762SS**  trans-55.6131.7170.8-111.9-39.3000111.4
312I41.3Very low48.8Very low160 Ų160133.8 Ų133.882%0.82175%0.753SS**  trans-131.6106.8163.35.6172.8000107.2D314I312-D314 PolarHBondContact O-N 2.95Å
313S45.8Very low49.9Very low121 Ų121131.8 Ų131.885%0.84675%0.746SS**  trans-60.1117.5176.6-166.20000110.2S315S313-S315 PolarHBondContact O-N 3.2Å
314D52.3Low50.6Low165 Ų165133.2 Ų133.288%0.88274%0.743SS**  trans-72.5117173.1-115.9-32.5000109I312 D316I312-D314 PolarHBondContact O-N 2.95Å; D314-D316 PolarHBondContact O-N 2.79Å
315S58.2Low51.9Low119 Ų119131.3 Ų131.383%0.83273%0.732SS**  trans-85.6105.5176.8-1680000108.3S313 S317S313-S315 PolarHBondContact O-N 3.2Å; S315-S317 PolarHBondContact O-N 2.91Å
316D53.8Low53.1Low144 Ų144125 Ų12577%0.7772%0.724SS**  trans-76.3115.4-175.5-133.1-18.6000111.6D314D314-D316 PolarHBondContact O-N 2.79Å
317S55.7Low53.7Low32 Ų32128.1 Ų128.122%0.22472%0.723CS.*  trans6881.2131.1-58.80000121.2S315 W319 E320S315-S317 PolarHBondContact O-N 2.91Å; S317-W319 VanDerWaalsContact C-N 3.34Å; S317-W319 PolarHBondContact OG-NE1 2.79Å; S317-E320 WeakPolarHBondContact CB-OE2 3.24Å; S317-E320 PolarHBondContact OG-OE2 3.3Å
318D58Low54.5Low148 Ų148132.8 Ų132.879%0.79172%0.723SS**SBendtrans-80.5-9156.8-76.7-36.3000113.7S321D318-S321 PolarHBondContact O-OG 3.28Å; D318-S321 VanDerWaalsContact O-OG 3.06Å
319W69.9Low55.5Low175 Ų175126.9 Ų126.966%0.66372%0.715SS**Hα-helixtrans-90.3-22.2-176.764.9-83.2000113.3S317S317-W319 VanDerWaalsContact C-N 3.34Å; S317-W319 PolarHBondContact OG-NE1 2.79Å
320E59.8Low55.7Low104 Ų104130.6 Ų130.649%0.48672%0.721SS.*Hα-helixtrans-76.3-30.3175.9-94.2170.1106.700112.6S317 M324S317-E320 WeakPolarHBondContact CB-OE2 3.24Å; S317-E320 PolarHBondContact OG-OE2 3.3Å; E320-M324 WeakPolarHBondContact O-CG 3.44Å
321S59.2Low56Low64 Ų64134.2 Ų134.245%0.44874%0.741SS.*Hα-helixtrans-72.2-36.8179.144.20000112.4D318 M324 T325D318-S321 PolarHBondContact O-OG 3.28Å; D318-S321 VanDerWaalsContact O-OG 3.06Å; S321-M324 PolarHBondContact O-N 3Å; S321-T325 PolarHBondContact O-N 2.96Å; S321-T325 PolarHBondContact O-OG1 2.94Å
322D59.6Low56.3Low133 Ų133132.8 Ų132.871%0.71173%0.734SS**Hα-helixtrans-72.7-31.4-179.1-152.236.1000112.3M324D322-M324 VanDerWaalsContact C-N 3.34Å; D322-M324 PolarHBondContact O-N 2.89Å
323A64.1Low57.1Low72 Ų72131.3 Ų131.360%0.59573%0.73SS**Hα-helixtrans-69.1-30.3175.400000113.4
324M61.9Low57.7Low150 Ų150131.9 Ų131.974%0.73972%0.723SS**Hα-helixtrans-84.7-20.5-177.8-70-89.2-10800112.9E320 S321 D322 G326E320-M324 WeakPolarHBondContact O-CG 3.44Å; S321-M324 PolarHBondContact O-N 3Å; D322-M324 VanDerWaalsContact C-N 3.34Å; D322-M324 PolarHBondContact O-N 2.89Å; M324-G326 VanDerWaalsContact C-N 3.35Å
325T62.5Low58Low102 Ų102129.9 Ų129.963%0.62671%0.714SS**Hα-helixtrans-78.8-19.3-176.5-44.30000112.6S321 F327S321-T325 PolarHBondContact O-N 2.96Å; S321-T325 PolarHBondContact O-OG1 2.94Å; T325-F327 VanDerWaalsContact C-N 3.33Å; T325-F327 PolarHBondContact O-N 3.02Å
326G58.3Low58Low69 Ų69130.6 Ų130.671%0.71171%0.706SS**THydrogen-bonded Turntrans-74.8-9-179.400000116.4M324M324-G326 VanDerWaalsContact C-N 3.35Å
327F56.8Low58.3Low187 Ų187129.7 Ų129.782%0.8270%0.702SS**THydrogen-bonded Turntrans-102.8-7.1-176.6-93.6-87000114.9T325 G329T325-F327 VanDerWaalsContact C-N 3.33Å; T325-F327 PolarHBondContact O-N 3.02Å; F327-G329 VanDerWaalsContact C-N 3.3Å; F327-G329 PolarHBondContact O-N 3.2Å
328H52.5Low58.5Low177 Ų177136.7 Ų136.782%0.81974%0.736SS**THydrogen-bonded Turntrans-845.8-177.6-98.5-80.4000115.2
329G55.6Low58.5Low71 Ų71135.8 Ų135.873%0.73273%0.732SS**THydrogen-bonded Turntrans-98.114.1-176.300000116.5F327F327-G329 VanDerWaalsContact C-N 3.3Å; F327-G329 PolarHBondContact O-N 3.2Å
330F52.8Low57.6Low200 Ų200132.6 Ų132.688%0.87774%0.738SS**  trans-12763.1-179.4-133.7-88.5000111.8
331M48Very low57.4Low262 Ų262135.2 Ų135.2100%1.29176%0.761SS**  trans-142.20153.9-79.3-159.9179.300109.1

Retrieved 331 of 331 residues in 1047.2 ms (Link to these results)