A0A087YN39_POEFO Loading...

GS homeobox 1

AlphaFold DB , UniProt , Accession A0A087YN39, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 243 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
1M41.8Very low50.1Low236 Ų236156.2 Ų156.2100%1.16382%0.818SS**  098.70-74.5169.6141.600109.1
2P53.1Low50.1Low129 Ų129156.4 Ų156.484%0.83882%0.819SS**  trans-77.5130.2168.632.1-27.3000108.2S4P2-S4 PolarHBondContact O-N 3.45Å
3R53.7Low49.5Very low238 Ų238161.9 Ų161.990%0.89882%0.822SS**  trans-73.4111.4176.6-69.3-174118.287.60.2108.1
4S49.9Very low48.7Very low107 Ų107163.5 Ų163.575%0.74883%0.825SS**  trans-56.2132.5171.137.70000110.7P2 L6P2-S4 PolarHBondContact O-N 3.45Å; S4-L6 PolarHBondContact O-N 3.38Å
5F50.2Low48.2Very low203 Ų203159.1 Ų159.189%0.8982%0.823SS**  trans-71.6104164.6-76.5-97000108.1V7F5-V7 PolarHBondContact O-N 3.42Å
6L63Low47.6Very low151 Ų151156.1 Ų156.179%0.79182%0.821SS**  trans-86.599.5157.7-98.6161.7000107.3S4 D8S4-L6 PolarHBondContact O-N 3.38Å; L6-D8 PolarHBondContact O-N 3.18Å
7V52.2Low47.3Very low125 Ų125156.5 Ų156.576%0.75882%0.824SS**  trans-72.9106.7154.5170.50000105.2F5F5-V7 PolarHBondContact O-N 3.42Å
8D48Very low47.2Very low144 Ų144158.7 Ų158.777%0.7783%0.825SS**  trans-106.5132.4166.2-144.2-50.5000108.8L6L6-D8 PolarHBondContact O-N 3.18Å
9S45Very low46.7Very low79 Ų79153.9 Ų153.955%0.55282%0.819SS**  trans-92.8157.3-170.9-63.50000109.9
10L48.4Very low46.2Very low157 Ų157152 Ų15282%0.82282%0.818SS**  trans72.3108156.4-62.1148.4000117.5
11I46.2Very low45.8Very low149 Ų149153.4 Ų153.476%0.76482%0.82SS**  -140.1101.8114.8-64.5-164.1000107.9R13I11-R13 HydrophobicContact CG2-CB 4.16Å; I11-R13 HydrophobicContact CG2-CG 3.87Å
12L49.5Very low45.6Very low159 Ų159146.1 Ų146.183%0.83279%0.792SS**  trans-78.1112.1154.1-138.588.6000106.2
13R42.4Very low45.3Very low228 Ų228145.4 Ų145.486%0.8679%0.79SS**  trans-131.186.5157.7-85-178.488.8104.8-4.2106.9I11I11-R13 HydrophobicContact CG2-CB 4.16Å; I11-R13 HydrophobicContact CG2-CG 3.87Å
14E38.7Very low45.6Very low184 Ų184139.5 Ų139.586%0.8678%0.782SS**  trans-76.5127.9159.6-168.6168.9102.200107.5
15A41.8Very low45.8Very low97 Ų97139.8 Ų139.880%0.80278%0.782SS**  trans-108.3120.9173.800000107.4
16S37.7Very low45.6Very low112 Ų112137.9 Ų137.978%0.78378%0.78SS**  trans-164.6103.1157.5-177.40000109.9
17D42.6Very low44.9Very low163 Ų163139.9 Ų139.987%0.87278%0.783SS**  trans-144.2136.7142.2-163.4-117.4000109.8
18K46.3Very low44.9Very low195 Ų195139.5 Ų139.585%0.84878%0.783SS**  trans-92.9140-177.2-80.7-178.9170.6-179.40109.4
19G36.2Very low44.6Very low68 Ų68142.8 Ų142.870%0.70179%0.786SS**  trans177.9104.8161.300000115.8
20S38.3Very low44.6Very low116 Ų116144.1 Ų144.181%0.81180%0.802SS**  trans47.9133.7140.358.70000123.5
21E37.1Very low44.3Very low182 Ų182141.5 Ų141.585%0.8579%0.792SS**  trans64.7147.6151.8-90.8-145.78500117.3
22S37.2Very low44.2Very low83 Ų83142.4 Ų142.458%0.5879%0.793SS**  cis-169.8154.3-4.639.70000108.3
23S48Very low43.9Very low113 Ų113140.4 Ų140.479%0.7979%0.792SS**  trans73.5135.1157.7-56.70000120.6
24P58.9Low44.7Very low115 Ų115134 Ų13475%0.74778%0.78SS**PPolyproline II helixtrans-96.6150.7-179.837.5-31.4000112.3
25P55.2Low44.8Very low113 Ų113134 Ų13473%0.73478%0.779SS**PPolyproline II helixtrans-91.1126.5162.331.6-25.7000111.2
26L45Very low45Very low162 Ų162137.8 Ų137.885%0.84878%0.78SS**PPolyproline II helixtrans-53.9136.6168.3-60.4162.5000111.3
27F48.3Very low45.7Very low194 Ų194136.8 Ų136.885%0.85177%0.771SS**  trans-125.6132.2151.2-80.8-76.7000109.7
28P51.8Low45.8Very low117 Ų117137.3 Ų137.376%0.7677%0.768SS**  trans-84.6149-170.833.2-33.3000112.6
29Y42.7Very low45.5Very low212 Ų212131.6 Ų131.683%0.83176%0.764SS**  trans-30.5134.1157.8-108.1-112.9000114.8V31Y29-V31 HydrophobicContact CD1-CG2 3.63Å; Y29-V31 HydrophobicContact CE1-CG2 3.78Å
30A43.7Very low46.2Very low108 Ų108136.3 Ų136.389%0.89377%0.773SS**  trans-132.4117.4149.300000109.3
31V42.9Very low46.8Very low101 Ų101137.3 Ų137.361%0.61278%0.776SS**  trans-93.2138.7-178.1144.60000109.7Y29Y29-V31 HydrophobicContact CD1-CG2 3.63Å; Y29-V31 HydrophobicContact CE1-CG2 3.78Å
32H43.5Very low47.5Very low169 Ų169132.3 Ų132.378%0.78277%0.774SS**  trans32.2135.3152.9-67.592.6000121.8
33S43.6Very low48.1Very low117 Ų117133 Ų13382%0.81878%0.778SS**  -160.1157.2114.1-96.90000114.8
34P59.6Low48.2Very low94 Ų94131.1 Ų131.161%0.6176%0.764SS**  trans-102.3173.4-157.238.7-29.7000113.3
35H40.1Very low48Very low182 Ų182134.2 Ų134.284%0.84377%0.769SS**  trans161.8116.8133.1-78.5-62.5000111
36H45.4Very low48Very low178 Ų178132.8 Ų132.882%0.82476%0.761SS**  trans-60.5172.2155.3-105.8-91.6000110
37P52.2Low48.6Very low90 Ų90135.4 Ų135.458%0.58476%0.76SS**  cis-147.4-171.127.618.512.2000116.3
38H45.2Very low48.6Very low174 Ų174136.1 Ų136.181%0.80676%0.762SS**  trans104.7102.2157.3-54.1-64.9000117.4
39G41.5Very low48.4Very low75 Ų75134.9 Ų134.977%0.77376%0.762SS**  trans-74.6150.5167.400000112.7
40L49.4Very low49.1Very low167 Ų167129 Ų12987%0.87477%0.767SS**  trans-124.7132.2155.2-76.8166.3000107.1G42L40-G42 PolarHBondContact O-N 3.04Å
41P51.8Low49.6Very low137 Ų137131.5 Ų131.589%0.8976%0.764SS**  trans-81.8115.8177.932.3-28.3000108.5
42G51.8Low50.3Low77 Ų77134.1 Ų134.179%0.79477%0.774SS**  trans-171.532.4178.500000114.2L40 C44L40-G42 PolarHBondContact O-N 3.04Å; G42-C44 PolarHBondContact O-N 2.71Å
43S50Low50.9Low97 Ų97129.7 Ų129.768%0.67876%0.761SS**  trans-89.2106.2178.8-166.80000110.8H45S43-H45 PolarHBondContact O-N 3.25Å; S43-H45 PolarHBondContact O-ND1 3Å
44C50Low51.6Low74 Ų74132.8 Ų132.850%0.576%0.76SS.*  trans-73.1108.7171.155.10000109.7G42 S46G42-C44 PolarHBondContact O-N 2.71Å; C44-S46 PolarHBondContact O-N 3.37Å
45H53.9Low51.7Low181 Ų181130.4 Ų130.484%0.83875%0.745SS**  trans-70.67-176.5-71.177.3000114.4S43 R47S43-H45 PolarHBondContact O-N 3.25Å; S43-H45 PolarHBondContact O-ND1 3Å; H45-R47 VanDerWaalsContact C-N 3.3Å; H45-R47 PolarHBondContact O-N 2.91Å; H45-R47 VanDerWaalsContact O-N 3.09Å
46S55Low52.6Low82 Ų82127.3 Ų127.357%0.57374%0.741SS**  trans-90.454-174.2-164.80000112.7C44C44-S46 PolarHBondContact O-N 3.37Å
47R57.6Low53.4Low218 Ų218126.1 Ų126.182%0.82374%0.74SS**  trans-126.374.6167.2-61.3-167.7-153.5-1286110.4H45H45-R47 VanDerWaalsContact C-N 3.3Å; H45-R47 PolarHBondContact O-N 2.91Å; H45-R47 VanDerWaalsContact O-N 3.09Å
48K47.9Very low53.7Low208 Ų208125.2 Ų125.290%0.90474%0.735SS**SBendtrans-143.8112.3154.9-144.8161.4-175.2173.50109.5
49A48.4Very low54.2Low92 Ų92125 Ų12576%0.7674%0.736SS**SBendtrans69.988.9170.300000118.4L51A49-L51 PolarHBondContact O-N 3.46Å
50G57Low54.8Low89 Ų89125.8 Ų125.892%0.91874%0.736SS**SBend70.812.2128.100000120
51L55.3Low54.8Low160 Ų160122 Ų12284%0.83873%0.728SS**  trans-117130.1170.6-68.3167.2000109A49 C53A49-L51 PolarHBondContact O-N 3.46Å; L51-C53 PolarHBondContact O-N 3.27Å
52L57.4Low54.9Low156 Ų156120.6 Ų120.682%0.81772%0.722SS**  trans-60.2108.5-177.6-62.4171.1000109.7F54L52-F54 HydrophobicContact CB-CE2 4.17Å; L52-F54 PolarHBondContact O-N 3.41Å
53C56.4Low55Low75 Ų75125.9 Ų125.951%0.50773%0.726SS.*  trans-77.6109.6174.2-176.20000108.9L51 C55L51-C53 PolarHBondContact O-N 3.27Å; C53-C55 VanDerWaalsContact C-N 3.3Å; C53-C55 PolarHBondContact O-N 3.1Å; C53-C55 VanDerWaalsContact O-N 3.13Å
54F58.3Low54.8Low183 Ų183129.2 Ų129.280%0.80374%0.735SS**  trans-83.874.6170.9-77-89.2000109.7L52L52-F54 HydrophobicContact CB-CE2 4.17Å; L52-F54 PolarHBondContact O-N 3.41Å
55C62Low54.7Low43 Ų43135.1 Ų135.129%0.29176%0.755SS.*  trans-96.6119.7166.8-176.80000108.8C53 L57 C58C53-C55 VanDerWaalsContact C-N 3.3Å; C53-C55 PolarHBondContact O-N 3.1Å; C53-C55 VanDerWaalsContact O-N 3.13Å; C55-L57 PolarHBondContact O-N 3.08Å; C55-L57 VanDerWaalsContact O-N 3.08Å; C55-C58 PolarHBondContact O-N 3.21Å; C55-C58 PolarHBondContact O-SG 3.12Å
56P59.1Low54.3Low118 Ų118132 Ų13277%0.76675%0.751SS**THydrogen-bonded Turntrans-66.7-10.6-175.123.4-31000114.1
57L61Low53.9Low152 Ų152133.5 Ų133.580%0.79676%0.761SS**THydrogen-bonded Turntrans-83.3-22.7177.8-78.4149.2000114.2C55C55-L57 PolarHBondContact O-N 3.08Å; C55-L57 VanDerWaalsContact O-N 3.08Å
58C59.3Low53.6Low71 Ų71128.7 Ų128.748%0.4876%0.758SS.*SBendtrans-92.5-6.4-178.5440000115.1C55C55-C58 PolarHBondContact O-N 3.21Å; C55-C58 PolarHBondContact O-SG 3.12Å
59M55.6Low54Low170 Ų170125 Ų12584%0.83776%0.755SS**THydrogen-bonded Turntrans-80.5-14.7177.3-110.5-174.166.700114.1
60A52.7Low54.3Low92 Ų92127 Ų12776%0.7676%0.758SS**THydrogen-bonded Turntrans-89.8-5-174.500000114.8
61A51.2Low54.3Low87 Ų87130.7 Ų130.772%0.71976%0.756SS**SBendtrans-104.122.4-17000000115
62S52.9Low54.3Low108 Ų108129.1 Ų129.176%0.75576%0.755SS**  trans-135.566179.8-59.50000112.4
63Q54.9Low53.7Low187 Ų187129.8 Ų129.887%0.87476%0.759SS**  trans-147.185.1162.1-79.9-153.470.400111
64L44.3Very low53.5Low168 Ų168134.2 Ų134.288%0.8878%0.777SS**  trans-155.4105.3153.2-74.8-176.3000108
65H48.4Very low52.9Low198 Ų198135.3 Ų135.392%0.91778%0.781SS**  trans-166.8147.4146.5-114.8-100.6000110.1
66P45.4Very low51.9Low115 Ų115137.2 Ų137.275%0.74780%0.8SS**  trans-90161.1-166.535.4-33.3000114.6
67S47.4Very low51Low113 Ų113136.8 Ų136.879%0.7980%0.8SS**  trans-75.2151.7-174.353.40000116.5
68P51.5Low50.3Low118 Ų118138.5 Ų138.577%0.76680%0.801SS**  trans-112.6168.1151.736.6-24.6000112.7
69P55.5Low50.1Low130 Ų130140 Ų14084%0.84481%0.81SS**  trans-86.9165.1-153.134.5-34.6000115.7
70T53.9Low49.9Very low133 Ų133138 Ų13882%0.81681%0.81SS**  trans-66.3139.4-166.749.40000116.6
71L58.1Low49.5Very low168 Ų168143.7 Ų143.788%0.8882%0.818SS**  trans-134.3149.1146.7-72.4179.7000109.3
72P55.4Low49Very low126 Ų126143.1 Ų143.182%0.81882%0.82SS**  trans-85.9126-166.733.2-30.7000111.4
73L45.2Very low48.4Very low171 Ų171143.9 Ų143.990%0.89583%0.826SS**  trans-108.7130.1172.7-152.883.1000110.2
74L51.4Low48.1Very low167 Ų167142.4 Ų142.487%0.87482%0.819SS**  trans-53.9139.6174.8-94.375.1000112A76L74-A76 PolarHBondContact O-N 2.87Å
75K45Very low48Very low206 Ų206145.7 Ų145.790%0.89682%0.821SS**  trans-72.6116.7179.7-169.9146.9178.9163.80110.8
76A40.7Very low47.6Very low83 Ų83141.5 Ų141.569%0.68681%0.813SS**  trans-120.6114.6161.200000108.7L74L74-A76 PolarHBondContact O-N 2.87Å
77S42.2Very low47.7Very low110 Ų110145 Ų14577%0.76982%0.819SS**  trans-85.8124.4177.5-175.50000109.1
78F45.8Very low47.2Very low187 Ų187145.7 Ų145.782%0.8282%0.823SS**  trans-121.7135.4163.6-72.7-77.2000108.9
79P53.6Low46.7Very low103 Ų103144.7 Ų144.767%0.66983%0.825SS**  trans-76.3153.9-18030.7-33000112.2
80P53Low46.3Very low128 Ų128146.4 Ų146.483%0.83183%0.827SS**  trans-81.4127.7-177.931.3-31.4000111.6G82P80-G82 PolarHBondContact O-N 3.35Å
81F43.9Very low45.5Very low212 Ų212145.5 Ų145.593%0.9383%0.826SS**  trans-78.5110.3164.3-75.6-81000109.2
82G39.4Very low44.9Very low74 Ų74147.5 Ų147.576%0.76382%0.822SS**  trans-70.2128.4171.500000111.3P80P80-G82 PolarHBondContact O-N 3.35Å
83S41.3Very low44Very low125 Ų125149.9 Ų149.987%0.87482%0.822SS**  trans-86.6109.8174.1-162.70000109.2
84Q49Very low44Very low156 Ų156148.4 Ų148.473%0.72981%0.81SS**  trans-132.989.2173.4-79.9-104.113.100107.6
85Y42.6Very low43.2Very low236 Ų236146.3 Ų146.393%0.92581%0.809SS**  trans-139.9113.6158.9-82.1-73.9000110.8
86C40Very low42.9Very low110 Ų110142.7 Ų142.774%0.74381%0.805SS**  trans-80.8163176-660000111.6
87H46.1Very low42.9Very low190 Ų190144.5 Ų144.588%0.8881%0.812SS**  trans-55.1152.3169.3-66.3-115.3000112.2
88S37.8Very low43Very low126 Ų126147.2 Ų147.288%0.88182%0.818SS**  trans-135.6117.7157.8-76.30000110.5
89A40.5Very low42.6Very low98 Ų98143.6 Ų143.681%0.8182%0.816SS**  trans-84.5167.3169.500000110.8
90L47.5Very low42.4Very low166 Ų166144.6 Ų144.687%0.86982%0.82SS**  trans-49.5145-172.6-67.383.8000116.1
91S36.8Very low41.8Very low114 Ų114145.5 Ų145.580%0.79782%0.818SS**  -166.1128.7118.5-96.30000113.1
92R44.8Very low41.9Very low210 Ų210142.6 Ų142.679%0.79281%0.811SS**  trans-91116.4171.3-174.3178.5-172.5-97.8-1.7106.7H94R92-H94 PolarHBondContact NH2-NE2 2.89Å
93Q38.3Very low42Very low176 Ų176143.5 Ų143.582%0.82281%0.806SS**  trans-130.6113.4169.3-75.1-96.1-24.400107.6
94H44.8Very low41.9Very low140 Ų140146.3 Ų146.365%0.64881%0.805SS**  trans-75.9138162.2-85.2-114.4000108R92R92-H94 PolarHBondContact NH2-NE2 2.89Å
95S33.7Very low41.7Very low122 Ų122143 Ų14385%0.85380%0.804SS**  trans-167.1144.3145.8-83.70000111.9
96T39.3Very low42.2Very low131 Ų131138.1 Ų138.180%0.80480%0.801SS**  trans-87.6165.4-172.344.80000113.4
97S39.9Very low42.3Very low121 Ų121136.2 Ų136.285%0.84680%0.8SS**  trans103.5140.8145.875.80000120.7
98N44.5Very low42.3Very low166 Ų166134.2 Ų134.289%0.88879%0.794SS**  trans-44.9144.9176.5-79.9-10.4000115.9
99S38Very low42.9Very low112 Ų112138 Ų13878%0.78379%0.791SS**  trans-165.5138.5130.2-172.40000111.9
100V49.5Very low42.8Very low124 Ų124142.2 Ų142.275%0.75279%0.794SS**  trans-76.1148.7165.6-76.10000111.4
101N40.9Very low42.7Very low146 Ų146138.4 Ų138.478%0.78179%0.786SS**  trans161.3114.6148-92.3-55.7000108.2
102L44.9Very low43.1Very low151 Ų151136.8 Ų136.879%0.79178%0.78SS**  74.994.171.4-161.562.2000114.4
103S41.8Very low43.4Very low93 Ų93136.3 Ų136.365%0.6578%0.779SS**  trans54.8121.4148.160.20000122.2
104H39.8Very low44.3Very low185 Ų185134 Ų13486%0.85678%0.777SS**  -165.9125.1116.7-129.1-111.4000114.3
105A43.8Very low44.8Very low86 Ų86133.1 Ų133.171%0.71178%0.781SS**  trans68.1148.3145.200000123.2
106P54Low46Very low134 Ų134132 Ų13287%0.8777%0.771SS**  trans-101.7137-157.636.8-25.8000112.7
107G41.5Very low46.7Very low69 Ų69129.8 Ų129.871%0.71176%0.755SS**  trans-137.8101.5175.500000110.9
108I45.5Very low47.6Very low148 Ų148129.6 Ų129.676%0.75975%0.75SS**  trans39.4108.1138.4-55.1-64.6000116.4
109Y50.2Low48.3Very low206 Ų206131.5 Ų131.581%0.80875%0.745SS**  trans23.7104147.8-56.2-89.3000117.3
110Q39.9Very low48.7Very low187 Ų187133.2 Ų133.287%0.87474%0.741SS**  -164.8109.9125.5-105161.769.800109.2A112Q110-A112 PolarHBondContact O-N 3Å
111A43.8Very low48.6Very low85 Ų85135.5 Ų135.570%0.70274%0.741SS**  trans-65.486161.300000107.4Y113A111-Y113 VanDerWaalsContact C-N 3.34Å; A111-Y113 WeakPolarHBondContact O-CD1 3.44Å; A111-Y113 VanDerWaalsContact O-CE1 3.32Å; A111-Y113 WeakPolarHBondContact O-CE1 3.26Å; A111-Y113 PolarHBondContact O-N 3.26Å
112A46.7Very low49Very low81 Ų81134.9 Ų134.967%0.66973%0.733SS**  trans-7099.416400000106.2Q110 T114Q110-A112 PolarHBondContact O-N 3Å; A112-T114 VanDerWaalsContact C-N 3.31Å; A112-T114 PolarHBondContact O-N 3.41Å
113Y49.9Very low49.3Very low200 Ų200133 Ų13378%0.78473%0.731SS**  trans-55.3101.3162.80.8-91000106.3A111 V115A111-Y113 VanDerWaalsContact C-N 3.34Å; A111-Y113 WeakPolarHBondContact O-CD1 3.44Å; A111-Y113 VanDerWaalsContact O-CE1 3.32Å; A111-Y113 WeakPolarHBondContact O-CE1 3.26Å; A111-Y113 PolarHBondContact O-N 3.26Å; Y113-V115 PolarHBondContact O-N 3.34Å
114T57.3Low49.4Very low128 Ų128136.7 Ų136.779%0.78574%0.742SS**  trans-62.79416647.80000106.1A112 P116A112-T114 VanDerWaalsContact C-N 3.31Å; A112-T114 PolarHBondContact O-N 3.41Å; T114-P116 WeakPolarHBondContact O-CD 3.44Å
115V55.5Low49.7Very low121 Ų121133 Ų13373%0.73374%0.737SS**  trans-62.4115171.7177.70000106.2Y113 D117Y113-V115 PolarHBondContact O-N 3.34Å; V115-D117 PolarHBondContact O-N 2.98Å
116P60.3Low49.6Very low99 Ų99135.5 Ų135.564%0.64374%0.737SS**  trans-62.4125.9175.5-1932.9000108.4T114 P118T114-P116 WeakPolarHBondContact O-CD 3.44Å; P116-P118 WeakPolarHBondContact O-CD 3.33Å; P116-P118 VanDerWaalsContact O-N 3.14Å
117D53.3Low49.2Very low84 Ų84137.4 Ų137.445%0.44973%0.734SS.*  trans-56.2116.7175.3179-6.8000109.1V115 R119 Q120V115-D117 PolarHBondContact O-N 2.98Å; D117-R119 PolarHBondContact O-N 3.4Å; D117-R119 VanDerWaalsContact OD1-CB 3.32Å; D117-R119 WeakPolarHBondContact OD1-CB 3.33Å; D117-R119 WeakPolarHBondContact OD1-CG 3.47Å; D117-R119 PolarHBondContact OD1-N 3.13Å; D117-Q120 PolarHBondContact O-N 3.33Å
118P59.4Low49.5Very low116 Ų116141.1 Ų141.175%0.75374%0.738SS**THydrogen-bonded Turntrans-66.5-6.6-177.526.6-33.8000113.4P116P116-P118 WeakPolarHBondContact O-CD 3.33Å; P116-P118 VanDerWaalsContact O-N 3.14Å
119R58.3Low49.5Very low206 Ų206140.5 Ų140.578%0.77774%0.736SS**THydrogen-bonded Turntrans-88.5-8.4179.7-56.1-17677.2-107.62.4113.5D117 F121D117-R119 PolarHBondContact O-N 3.4Å; D117-R119 VanDerWaalsContact OD1-CB 3.32Å; D117-R119 WeakPolarHBondContact OD1-CB 3.33Å; D117-R119 WeakPolarHBondContact OD1-CG 3.47Å; D117-R119 PolarHBondContact OD1-N 3.13Å; R119-F121 VanDerWaalsContact C-N 3.35Å; R119-F121 PolarHBondContact O-N 2.87Å
120Q46Very low49.5Very low149 Ų149138.5 Ų138.570%0.69674%0.739SS**THydrogen-bonded Turntrans-80.9-8.4-172.7-150171.55.700114.6D117D117-Q120 PolarHBondContact O-N 3.33Å
121F46.9Very low49.5Very low172 Ų172133 Ų13375%0.75473%0.733SS**THydrogen-bonded Turntrans-105.210.9-171.7-71.2-78000116.5R119R119-F121 VanDerWaalsContact C-N 3.35Å; R119-F121 PolarHBondContact O-N 2.87Å
122H50.2Low49.8Very low132 Ų132138.9 Ų138.961%0.61174%0.742SS**  trans-104.426.2-173.6-126102.3000117.3K137H122-K137 PolarHBondContact CD2-NZ 2.8Å; H122-K137 VanDerWaalsContact CD2-NZ 3.33Å; H122-K137 PolarHBondContact NE2-NZ 3.05Å
123C51.4Low50.3Low112 Ų112142.7 Ų142.776%0.75775%0.751SS**  trans-134.273168.7630000113.3
124I44.6Very low50.2Low170 Ų170142.6 Ų142.687%0.87276%0.757SS**  trans-133.5110.6148.4-56.1-179.7000107.8
125S45.5Very low49.6Very low107 Ų107140.6 Ų140.675%0.74875%0.749SS**  trans-92.2135.7153.8-174.50000106.4
126I42.3Very low49.4Very low139 Ų139141.4 Ų141.471%0.71376%0.76SS**  trans175.2118.7137.2-86.3152.7000108.9
127E43.9Very low49.3Very low175 Ų175143.6 Ų143.682%0.81876%0.759SS**  trans47.1118.9144.4-60.8170.6123.700123.7
128N49.6Very low50.3Low147 Ų147150.2 Ų150.279%0.78678%0.778SS**  trans3999.9133.3-155.255.3000120.8
129N44.2Very low51.3Low135 Ų135152.6 Ų152.672%0.72278%0.781SS**  176.5147.7108.5-130.5-53.9000111.3
130N50.4Low52.6Low164 Ų164154.1 Ų154.188%0.87779%0.787SS**  trans9.1116.7164.5-108.12.3000119.7
131G39.5Very low54.6Low72 Ų72151.8 Ų151.874%0.74278%0.783SS**  trans167.7116.6162.100000113.5
132K51.6Low56.8Low207 Ų207148.2 Ų148.290%0.979%0.785SS**SBendtrans-52.6146.7176-75.9170.3173.9172.40111.8
133L57.3Low59.1Low162 Ų162144.6 Ų144.685%0.84877%0.768SS**  trans72.4102.2-179.1-8395.2000115.2
134Q46.1Very low61.4Low197 Ų197143 Ų14392%0.92175%0.754SS**  -176.9133.4126.7-97.6167.539.800111.1
135S44.8Very low63.9Low87 Ų87139.1 Ų139.161%0.60874%0.743SS**  trans64.5108.4170.6-149.60000117K137S135-K137 PolarHBondContact O-N 3.42Å
136S51.5Low66.4Low138 Ų138138.7 Ų138.797%0.96574%0.736SS**  trans-68.957.7169.5-167.50000111.6
137K59.4Low69.1Low144 Ų144133.5 Ų133.563%0.62671%0.709SS**  trans-89.8105.2166.9-122168.1179.9168.10105.6H122 S135 M139H122-K137 PolarHBondContact CD2-NZ 2.8Å; H122-K137 VanDerWaalsContact CD2-NZ 3.33Å; H122-K137 PolarHBondContact NE2-NZ 3.05Å; S135-K137 PolarHBondContact O-N 3.42Å; K137-M139 PolarHBondContact O-N 2.92Å
138R73.8Confident71.7Confident223 Ų223128.1 Ų128.184%0.84269%0.685SS**  trans-49.9110.6176.3-178.5-177.4-80.6152.5-1.9108.3R140R138-R140 PolarHBondContact O-N 3.31Å
139M79.1Confident74Confident167 Ų167126 Ų12682%0.82367%0.673SS**PPolyproline II helixtrans-56.5129.6177.4-173.9164.563.700108.5K137K137-M139 PolarHBondContact O-N 2.92Å
140R86.1Confident76.6Confident238 Ų238121.4 Ų121.490%0.89865%0.647SS**PPolyproline II helixtrans-77.6126.8177-67.6-174.6178-161.20.9108R138R138-R140 PolarHBondContact O-N 3.31Å
141T87.9Confident78.9Confident100 Ų100113.6 Ų113.661%0.61361%0.606SS**PPolyproline II helixtrans-88.2133.4168.748.30000109.2
142A94.6Very high81.7Confident97 Ų97114.2 Ų114.280%0.80259%0.589SS**PPolyproline II helixtrans-89.4146.7172.600000109.8
143F97.9Very high83.9Confident56 Ų56111 Ų11125%0.24657%0.571CS.*PPolyproline II helixtrans-86.1148170.2-59.1-46.4000109.7Q147 L148 L175 Q179 W183F143-Q147 HydrophobicContact CB-CB 4.22Å; F143-L148 HydrophobicContact CB-CD2 3.96Å; F143-L148 HydrophobicContact CB-CG 4.14Å; F143-L148 HydrophobicContact CD2-CD2 4.15Å; F143-L175 HydrophobicContact CD1-CD1 4.11Å; F143-L175 HydrophobicContact CD1-CD2 3.78Å; F143-L175 HydrophobicContact CE1-CD1 4.04Å; F143-L175 HydrophobicContact CE1-CD2 3.71Å; F143-Q179 HydrophobicContact CE1-CB 4.21Å; F143-Q179 HydrophobicContact CE1-CG 4.34Å; F143-Q179 HydrophobicContact CZ-CB 4.01Å; F143-Q179 HydrophobicContact CZ-CG 4.31Å; F143-W183 AromaticContact CD2-CD1 3.75Å; F143-W183 HydrophobicContact CE2-CB 4.33Å; F143-W183 AromaticContact CE2-CD1 3.64Å; F143-W183 HydrophobicContact CE2-CG 4.35Å
144T98.4Very high85.9Confident77 Ų77103.9 Ų103.947%0.47253%0.534SS..PPolyproline II helixtrans-71162175.4710000110.8T146 Q147 L148T144-T146 VanDerWaalsContact C-N 3.31Å; T144-T146 PolarHBondContact O-N 3.24Å; T144-Q147 PolarHBondContact O-N 2.75Å; T144-Q147 VanDerWaalsContact OG1-CG 3.26Å; T144-Q147 WeakPolarHBondContact OG1-CG 3.13Å; T144-Q147 PolarHBondContact OG1-N 2.79Å; T144-L148 WeakPolarHBondContact O-CG 3.4Å; T144-L148 PolarHBondContact O-N 3.01Å; T144-L148 VanDerWaalsContact O-N 3.1Å
145S97.9Very high88.4Confident90 Ų9094.9 Ų94.963%0.62949%0.491SS*.Hα-helixtrans-57.4-45.1177.2-166.40000111.8Q147 L148 L149S145-Q147 VanDerWaalsContact C-N 3.34Å; S145-Q147 PolarHBondContact O-N 3.41Å; S145-L148 PolarHBondContact O-N 3.18Å; S145-L149 WeakPolarHBondContact O-CG 3.27Å; S145-L149 PolarHBondContact O-N 3.04Å
146T98.1Very high90.9Very high98 Ų9896.5 Ų96.560%0.60150%0.498SS*.Hα-helixtrans-60.7-42177.9-47.50000112.1T144 L148 L149 E150T144-T146 VanDerWaalsContact C-N 3.31Å; T144-T146 PolarHBondContact O-N 3.24Å; T146-L148 VanDerWaalsContact C-N 3.31Å; T146-L148 PolarHBondContact O-N 3.4Å; T146-L149 PolarHBondContact O-N 2.96Å; T146-E150 PolarHBondContact O-N 3.2Å; T146-E150 VanDerWaalsContact O-N 3.12Å
147Q98.5Very high93.1Very high30 Ų3094.8 Ų94.814%0.1449%0.486CS..Hα-helixtrans-61.3-40.6176.4-74.4172.4-24.400111.8F143 T144 S145 L151 L173F143-Q147 HydrophobicContact CB-CB 4.22Å; T144-Q147 PolarHBondContact O-N 2.75Å; T144-Q147 VanDerWaalsContact OG1-CG 3.26Å; T144-Q147 WeakPolarHBondContact OG1-CG 3.13Å; T144-Q147 PolarHBondContact OG1-N 2.79Å; S145-Q147 VanDerWaalsContact C-N 3.34Å; S145-Q147 PolarHBondContact O-N 3.41Å; Q147-L151 WeakPolarHBondContact O-CB 3.4Å; Q147-L151 WeakPolarHBondContact O-CD1 3.35Å; Q147-L151 WeakPolarHBondContact O-CG 3.47Å; Q147-L151 PolarHBondContact O-N 2.87Å; Q147-L151 VanDerWaalsContact O-N 3.08Å; Q147-L173 HydrophobicContact CG-CB 4.37Å; Q147-L173 PolarHBondContact NE2-O 3.37Å
148L98.4Very high95Very high61 Ų6192.1 Ų92.132%0.31948%0.479SS..Hα-helixtrans-66.1-44.6178.5-66.5173.6000112F143 T144 S145 T146 E150 L151 E152F143-L148 HydrophobicContact CB-CD2 3.96Å; F143-L148 HydrophobicContact CB-CG 4.14Å; F143-L148 HydrophobicContact CD2-CD2 4.15Å; T144-L148 WeakPolarHBondContact O-CG 3.4Å; T144-L148 PolarHBondContact O-N 3.01Å; T144-L148 VanDerWaalsContact O-N 3.1Å; S145-L148 PolarHBondContact O-N 3.18Å; T146-L148 VanDerWaalsContact C-N 3.31Å; T146-L148 PolarHBondContact O-N 3.4Å; L148-E150 PolarHBondContact O-N 3.21Å; L148-L151 PolarHBondContact O-N 3.5Å; L148-E152 WeakPolarHBondContact O-CB 3.41Å; L148-E152 WeakPolarHBondContact O-CG 3.4Å; L148-E152 PolarHBondContact O-N 3.29Å
149L98.4Very high96.1Very high103 Ų10384.4 Ų84.454%0.53945%0.453SS..Hα-helixtrans-59-46.6178.6-70.9172.4000111.8S145 T146 E152 R153S145-L149 WeakPolarHBondContact O-CG 3.27Å; S145-L149 PolarHBondContact O-N 3.04Å; T146-L149 PolarHBondContact O-N 2.96Å; L149-E152 PolarHBondContact O-N 2.91Å; L149-R153 WeakPolarHBondContact O-CB 3.46Å; L149-R153 PolarHBondContact O-N 2.69Å
150E98.6Very high97Very high39 Ų3983.2 Ų83.218%0.18244%0.44CS..Hα-helixtrans-65.7-40.3178-73-59.8140.600112.4T146 L148 E152 R153 E154 Y172 L173T146-E150 PolarHBondContact O-N 3.2Å; T146-E150 VanDerWaalsContact O-N 3.12Å; L148-E150 PolarHBondContact O-N 3.21Å; E150-E152 VanDerWaalsContact C-N 3.29Å; E150-E152 PolarHBondContact O-N 3.24Å; E150-R153 PolarHBondContact O-N 2.87Å; E150-R153 IonicContact OE1-NE 3.2Å; E150-R153 IonicContact OE2-CZ 3.76Å; E150-R153 VanDerWaalsContact OE2-CZ 3.23Å; E150-R153 IonicContact OE2-NE 2.87Å; E150-R153 PolarHBondContact OE2-NE 3.05Å; E150-R153 IonicContact OE2-NH2 3.23Å; E150-R153 PolarHBondContact OE2-NH2 3.39Å; E150-E154 WeakPolarHBondContact O-CG 2.96Å; E150-E154 PolarHBondContact O-N 2.84Å; E150-Y172 HydrophobicContact CG-CE1 4.03Å; E150-L173 HydrophobicContact CB-CD1 4.09Å; E150-L173 HydrophobicContact CB-CD2 3.61Å; E150-L173 HydrophobicContact CB-CG 4.45Å; E150-L173 HydrophobicContact CG-CD2 3.9Å
151L98.7Very high97.6Very high0 Ų073.3 Ų73.30%041%0.405CS..Hα-helixtrans-62.9-36.7174.9-72.1166.5000112.1Q147 L148 F155 I169 L173 L175 V180 W183 F184Q147-L151 WeakPolarHBondContact O-CB 3.4Å; Q147-L151 WeakPolarHBondContact O-CD1 3.35Å; Q147-L151 WeakPolarHBondContact O-CG 3.47Å; Q147-L151 PolarHBondContact O-N 2.87Å; Q147-L151 VanDerWaalsContact O-N 3.08Å; L148-L151 PolarHBondContact O-N 3.5Å; L151-F155 VanDerWaalsContact O-CB 3.32Å; L151-F155 WeakPolarHBondContact O-CB 3.32Å; L151-F155 PolarHBondContact O-N 2.75Å; L151-I169 HydrophobicContact CD2-CG2 4.03Å; L151-L173 HydrophobicContact CD1-CD1 4.47Å; L151-L173 HydrophobicContact CD2-CD1 3.86Å; L151-L173 HydrophobicContact CG-CD1 3.72Å; L151-L175 HydrophobicContact CD1-CD1 4.27Å; L151-V180 HydrophobicContact CD2-CG1 4.24Å; L151-W183 VanDerWaalsContact C-CH2 3.48Å; L151-W183 HydrophobicContact CB-CD2 3.92Å; L151-W183 HydrophobicContact CB-CE3 3.86Å; L151-W183 HydrophobicContact CB-CH2 3.61Å; L151-W183 HydrophobicContact CB-CZ2 3.65Å; L151-W183 HydrophobicContact CB-CZ3 3.72Å; L151-W183 HydrophobicContact CD1-CB 4.49Å; L151-W183 HydrophobicContact CD1-CD2 3.85Å; L151-W183 HydrophobicContact CD1-CE3 4.45Å; L151-W183 HydrophobicContact CD1-CG 3.83Å; L151-W183 HydrophobicContact CD2-CD2 4.44Å; L151-W183 HydrophobicContact CD2-CE3 4.28Å; L151-W183 HydrophobicContact CG-CD2 4.29Å; L151-W183 HydrophobicContact CG-CE3 4.42Å; L151-W183 WeakPolarHBondContact O-CH2 3.3Å; L151-W183 WeakPolarHBondContact O-CZ3 3.5Å; L151-F184 HydrophobicContact CD2-CE2 3.95Å
152E98.6Very high98.1Very high84 Ų8471.9 Ų71.939%0.39340%0.399SS..Hα-helixtrans-71-40.4176.1-74.5173.7175.600112.7L148 L149 E150 F155 T156 W183L148-E152 WeakPolarHBondContact O-CB 3.41Å; L148-E152 WeakPolarHBondContact O-CG 3.4Å; L148-E152 PolarHBondContact O-N 3.29Å; L149-E152 PolarHBondContact O-N 2.91Å; E150-E152 VanDerWaalsContact C-N 3.29Å; E150-E152 PolarHBondContact O-N 3.24Å; E152-F155 PolarHBondContact O-N 2.95Å; E152-T156 PolarHBondContact O-N 2.89Å; E152-T156 PolarHBondContact O-OG1 3.33Å; E152-W183 HydrophobicContact CG-CH2 3.82Å; E152-W183 HydrophobicContact CG-CZ2 3.87Å
153R98.5Very high98.3Very high139 Ų13973.5 Ų73.553%0.52538%0.384SS..Hα-helixtrans-56.7-50.1172.7-173.7-179.970.489.813.2110.6L149 E150 F155 T156 S157L149-R153 WeakPolarHBondContact O-CB 3.46Å; L149-R153 PolarHBondContact O-N 2.69Å; E150-R153 PolarHBondContact O-N 2.87Å; E150-R153 IonicContact OE1-NE 3.2Å; E150-R153 IonicContact OE2-CZ 3.76Å; E150-R153 VanDerWaalsContact OE2-CZ 3.23Å; E150-R153 IonicContact OE2-NE 2.87Å; E150-R153 PolarHBondContact OE2-NE 3.05Å; E150-R153 IonicContact OE2-NH2 3.23Å; E150-R153 PolarHBondContact OE2-NH2 3.39Å; R153-F155 PolarHBondContact O-N 3.48Å; R153-T156 PolarHBondContact O-N 2.74Å; R153-S157 PolarHBondContact O-N 3.16Å
154E98.4Very high98.3Very high14 Ų1476.6 Ų76.67%0.06540%0.403CS..Hα-helixtrans-65-39.5177.8-68.6-63.5145.100112.5E150 T156 S157 N158 R165 I169 F184E150-E154 WeakPolarHBondContact O-CG 2.96Å; E150-E154 PolarHBondContact O-N 2.84Å; E154-T156 VanDerWaalsContact C-N 3.29Å; E154-T156 PolarHBondContact O-N 3.02Å; E154-S157 WeakPolarHBondContact O-CB 3.33Å; E154-S157 PolarHBondContact O-N 2.99Å; E154-N158 PolarHBondContact O-N 3.09Å; E154-R165 IonicContact OE1-CZ 3.75Å; E154-R165 IonicContact OE1-NH2 2.69Å; E154-R165 PolarHBondContact OE1-NH2 3.44Å; E154-R165 IonicContact OE2-CZ 3.31Å; E154-R165 VanDerWaalsContact OE2-CZ 3.31Å; E154-R165 IonicContact OE2-NE 2.95Å; E154-R165 PolarHBondContact OE2-NE 3.11Å; E154-R165 IonicContact OE2-NH2 2.84Å; E154-R165 PolarHBondContact OE2-NH2 2.91Å; E154-I169 HydrophobicContact CB-CD1 3.96Å; E154-I169 HydrophobicContact CG-CD1 3.69Å; E154-I169 HydrophobicContact CG-CG1 4.09Å; E154-F184 HydrophobicContact CB-CZ 4.07Å
155F98.6Very high98.3Very high7 Ų777.2 Ų77.23%0.03140%0.396CS..Hα-helixtrans-62.7-37.4178.2-176.1-96.3000113L151 E152 R153 N158 M159 W183 F184 R187 R188 H191L151-F155 VanDerWaalsContact O-CB 3.32Å; L151-F155 WeakPolarHBondContact O-CB 3.32Å; L151-F155 PolarHBondContact O-N 2.75Å; E152-F155 PolarHBondContact O-N 2.95Å; R153-F155 PolarHBondContact O-N 3.48Å; F155-N158 CarbonylContact O-C 3.22Å; F155-M159 HydrophobicContact CD2-CB 4.45Å; F155-M159 HydrophobicContact CE1-CE 3.8Å; F155-M159 HydrophobicContact CE1-CG 4.04Å; F155-M159 HydrophobicContact CE2-CB 3.93Å; F155-M159 HydrophobicContact CE2-CE 4.28Å; F155-M159 HydrophobicContact CE2-CG 4.19Å; F155-M159 HydrophobicContact CZ-CB 4.07Å; F155-M159 HydrophobicContact CZ-CE 3.35Å; F155-M159 HydrophobicContact CZ-CG 3.87Å; F155-M159 HydrophobicContact CZ-SD 4.46Å; F155-M159 PolarHBondContact O-N 3.14Å; F155-W183 HydrophobicContact CB-CH2 4.34Å; F155-W183 HydrophobicContact CB-CZ3 4.09Å; F155-W183 HydrophobicContact CD2-CZ3 4.42Å; F155-W183 HydrophobicContact CG-CZ3 4.49Å; F155-F184 HydrophobicContact CB-CE1 4.2Å; F155-F184 HydrophobicContact CB-CZ 4.33Å; F155-F184 AromaticContact CD2-CD1 3.9Å; F155-F184 HydrophobicContact CD2-CD1 3.9Å; F155-F184 AromaticContact CD2-CE1 3.9Å; F155-F184 HydrophobicContact CD2-CE1 3.9Å; F155-R187 HydrophobicContact CB-CG 4.49Å; F155-R187 HydrophobicContact CD1-CG 3.78Å; F155-R187 HydrophobicContact CD2-CB 4.09Å; F155-R187 HydrophobicContact CD2-CG 3.56Å; F155-R187 HydrophobicContact CE1-CG 3.77Å; F155-R187 HydrophobicContact CE2-CB 3.97Å; F155-R187 HydrophobicContact CE2-CG 3.55Å; F155-R187 HydrophobicContact CG-CG 3.66Å; F155-R187 HydrophobicContact CZ-CB 4.39Å; F155-R187 HydrophobicContact CZ-CG 3.64Å; F155-R188 HydrophobicContact CE2-CG 3.66Å; F155-R188 HydrophobicContact CZ-CG 4.08Å; F155-H191 HydrophobicContact CE1-CB 4.3Å; F155-H191 HydrophobicContact CZ-CB 4.14Å
156T97.9Very high98.3Very high122 Ų12275.6 Ų75.675%0.74838%0.376SS*.Hα-helixtrans-68.8-37.6177.8-53.90000111E152 R153 E154E152-T156 PolarHBondContact O-N 2.89Å; E152-T156 PolarHBondContact O-OG1 3.33Å; R153-T156 PolarHBondContact O-N 2.74Å; E154-T156 VanDerWaalsContact C-N 3.29Å; E154-T156 PolarHBondContact O-N 3.02Å
157S98.1Very high98.4Very high102 Ų10274 Ų7471%0.71336%0.363SS*.Hα-helixtrans-65.9-48.1172.8177.20000112R153 E154R153-S157 PolarHBondContact O-N 3.16Å; E154-S157 WeakPolarHBondContact O-CB 3.33Å; E154-S157 PolarHBondContact O-N 2.99Å
158N97.8Very high98.4Very high88 Ų8877.4 Ų77.447%0.47138%0.379SS..  trans-150.6118.4176.3-171.8-11.7000111.4E154 F155 Y160 F184E154-N158 PolarHBondContact O-N 3.09Å; F155-N158 CarbonylContact O-C 3.22Å; N158-Y160 PolarHBondContact ND2-O 3.45Å; N158-Y160 PolarHBondContact O-N 3.32Å; N158-Y160 PolarHBondContact OD1-N 3.37Å; N158-Y160 PolarHBondContact OD1-O 2.91Å; N158-F184 WeakPolarHBondContact O-CE1 3.31Å
159M97.6Very high98.4Very high61 Ų6174.8 Ų74.830%0.337%0.366SS..SBendtrans-67-10.4-179.7-60179.978.700113.8F155 R188 H191F155-M159 HydrophobicContact CD2-CB 4.45Å; F155-M159 HydrophobicContact CE1-CE 3.8Å; F155-M159 HydrophobicContact CE1-CG 4.04Å; F155-M159 HydrophobicContact CE2-CB 3.93Å; F155-M159 HydrophobicContact CE2-CE 4.28Å; F155-M159 HydrophobicContact CE2-CG 4.19Å; F155-M159 HydrophobicContact CZ-CB 4.07Å; F155-M159 HydrophobicContact CZ-CE 3.35Å; F155-M159 HydrophobicContact CZ-CG 3.87Å; F155-M159 HydrophobicContact CZ-SD 4.46Å; F155-M159 PolarHBondContact O-N 3.14Å; M159-R188 WeakPolarHBondContact O-CD 3.37Å; M159-H191 HydrophobicContact CE-CB 4.12Å; M159-H191 VanDerWaalsContact CE-ND1 3.31Å; M159-H191 WeakPolarHBondContact CE-ND1 3.49Å
160Y98.4Very high98.4Very high142 Ų14270.1 Ų70.156%0.55734%0.342SS*.SBendtrans-133.2126.1-177.7-64.7-99.4000111.2N158N158-Y160 PolarHBondContact ND2-O 3.45Å; N158-Y160 PolarHBondContact O-N 3.32Å; N158-Y160 PolarHBondContact OD1-N 3.37Å; N158-Y160 PolarHBondContact OD1-O 2.91Å
161L98.3Very high98.4Very high30 Ų3073 Ų7316%0.15736%0.362CS..  trans-91.8134.9179.8-61.1-179.7000112.9R165 R166 I169 V180 F184L161-R165 HydrophobicContact CD2-CG 3.9Å; L161-R166 HydrophobicContact CB-CB 4.39Å; L161-R166 HydrophobicContact CD1-CB 4.39Å; L161-R166 HydrophobicContact CD1-CG 4.5Å; L161-I169 HydrophobicContact CD1-CD1 3.87Å; L161-I169 HydrophobicContact CD2-CD1 3.66Å; L161-I169 HydrophobicContact CG-CD1 4.42Å; L161-V180 HydrophobicContact CD1-CG1 3.54Å; L161-F184 HydrophobicContact CD1-CD1 4.15Å; L161-F184 HydrophobicContact CD1-CD2 3.64Å; L161-F184 HydrophobicContact CD1-CE1 3.99Å; L161-F184 HydrophobicContact CD1-CE2 3.49Å; L161-F184 VanDerWaalsContact CD1-CE2 3.49Å; L161-F184 HydrophobicContact CD1-CG 3.98Å; L161-F184 HydrophobicContact CD1-CZ 3.68Å; L161-F184 HydrophobicContact CD2-CD1 4.4Å; L161-F184 HydrophobicContact CD2-CE1 3.68Å; L161-F184 HydrophobicContact CD2-CE2 4.36Å; L161-F184 HydrophobicContact CD2-CZ 3.67Å; L161-F184 HydrophobicContact CG-CD1 3.77Å; L161-F184 HydrophobicContact CG-CD2 4.2Å; L161-F184 HydrophobicContact CG-CE1 3.54Å; L161-F184 HydrophobicContact CG-CE2 4.02Å; L161-F184 HydrophobicContact CG-CG 4.1Å; L161-F184 HydrophobicContact CG-CZ 3.69Å
162S98.4Very high98.4Very high69 Ų6980.4 Ų80.448%0.48339%0.391SS..  trans-68.1167.7162.875.50000111.2R165 R166S162-R165 WeakPolarHBondContact OG-CB 3.47Å; S162-R165 PolarHBondContact OG-N 2.93Å; S162-R166 WeakPolarHBondContact O-CB 3.34Å; S162-R166 PolarHBondContact O-N 2.99Å; S162-R166 VanDerWaalsContact O-N 3.1Å
163R98.4Very high98.4Very high132 Ų13277 Ų7750%0.49838%0.376SS..Hα-helixtrans-60.3-46.5178178.867.4-178.791.5-8.7111.5I167 E177R163-I167 WeakPolarHBondContact O-CG1 3.16Å; R163-I167 PolarHBondContact O-N 3.5Å; R163-E177 IonicContact CZ-OE1 3.25Å; R163-E177 VanDerWaalsContact CZ-OE1 3.25Å; R163-E177 IonicContact CZ-OE2 3.08Å; R163-E177 IonicContact NE-OE2 3.88Å; R163-E177 IonicContact NH1-OE1 2.87Å; R163-E177 PolarHBondContact NH1-OE1 3.04Å; R163-E177 IonicContact NH1-OE2 2.75Å; R163-E177 PolarHBondContact NH1-OE2 3.1Å; R163-E177 IonicContact NH2-OE1 2.81Å; R163-E177 PolarHBondContact NH2-OE1 3.06Å; R163-E177 IonicContact NH2-OE2 3.24Å; R163-E177 PolarHBondContact NH2-OE2 3.19Å
164L98.5Very high98.4Very high120 Ų12077.5 Ų77.563%0.62839%0.389SS*.Hα-helixtrans-66.4-49.5-178.5-64.6178.8000111R166 I167 E168L164-R166 PolarHBondContact O-N 3.32Å; L164-I167 HydrophobicContact CD2-CD1 4.47Å; L164-I167 WeakPolarHBondContact O-CB 3.49Å; L164-I167 PolarHBondContact O-N 2.8Å; L164-E168 PolarHBondContact O-N 3.18Å; L164-E168 VanDerWaalsContact O-N 3.14Å
165R98.5Very high98.3Very high91 Ų9177.8 Ų77.834%0.34339%0.391SS..Hα-helixtrans-60.2-34.5179.9-171.556.1175.8177.2-2.6112.6E154 L161 S162 I167 E168 I169E154-R165 IonicContact OE1-CZ 3.75Å; E154-R165 IonicContact OE1-NH2 2.69Å; E154-R165 PolarHBondContact OE1-NH2 3.44Å; E154-R165 IonicContact OE2-CZ 3.31Å; E154-R165 VanDerWaalsContact OE2-CZ 3.31Å; E154-R165 IonicContact OE2-NE 2.95Å; E154-R165 PolarHBondContact OE2-NE 3.11Å; E154-R165 IonicContact OE2-NH2 2.84Å; E154-R165 PolarHBondContact OE2-NH2 2.91Å; L161-R165 HydrophobicContact CD2-CG 3.9Å; S162-R165 WeakPolarHBondContact OG-CB 3.47Å; S162-R165 PolarHBondContact OG-N 2.93Å; R165-I167 VanDerWaalsContact C-N 3.35Å; R165-I167 PolarHBondContact O-N 3.5Å; R165-E168 WeakPolarHBondContact CD-OE2 3.16Å; R165-E168 IonicContact CZ-OE2 3.71Å; R165-E168 IonicContact NE-OE2 3.89Å; R165-E168 IonicContact NH1-OE2 2.75Å; R165-E168 PolarHBondContact NH1-OE2 3.29Å; R165-E168 PolarHBondContact O-N 2.88Å; R165-I169 HydrophobicContact CG-CD1 3.91Å; R165-I169 HydrophobicContact CG-CG1 4.49Å; R165-I169 WeakPolarHBondContact O-CG1 3.3Å; R165-I169 PolarHBondContact O-N 2.87Å; R165-I169 VanDerWaalsContact O-N 3.09Å
166R98.7Very high98.3Very high56 Ų5680 Ų8021%0.21141%0.407CS..Hα-helixtrans-63.2-38.3174-170.7-169.2-54.8167.47.5112.8L161 S162 L164 A170 E177 V180L161-R166 HydrophobicContact CB-CB 4.39Å; L161-R166 HydrophobicContact CD1-CB 4.39Å; L161-R166 HydrophobicContact CD1-CG 4.5Å; S162-R166 WeakPolarHBondContact O-CB 3.34Å; S162-R166 PolarHBondContact O-N 2.99Å; S162-R166 VanDerWaalsContact O-N 3.1Å; L164-R166 PolarHBondContact O-N 3.32Å; R166-A170 WeakPolarHBondContact O-CB 3.34Å; R166-A170 PolarHBondContact O-N 3.24Å; R166-E177 HydrophobicContact CG-CB 4.25Å; R166-V180 HydrophobicContact CG-CB 4.36Å; R166-V180 HydrophobicContact CG-CG1 4.23Å
167I98.7Very high98.3Very high64 Ų6477 Ų7733%0.32838%0.384SS..Hα-helixtrans-63.7-50.2176.3-59.5169.2000109.1R163 L164 R165 I169 A170 T171R163-I167 WeakPolarHBondContact O-CG1 3.16Å; R163-I167 PolarHBondContact O-N 3.5Å; L164-I167 HydrophobicContact CD2-CD1 4.47Å; L164-I167 WeakPolarHBondContact O-CB 3.49Å; L164-I167 PolarHBondContact O-N 2.8Å; R165-I167 VanDerWaalsContact C-N 3.35Å; R165-I167 PolarHBondContact O-N 3.5Å; I167-I169 PolarHBondContact O-N 3.14Å; I167-A170 WeakPolarHBondContact O-CB 3.23Å; I167-A170 PolarHBondContact O-N 3.44Å; I167-A170 VanDerWaalsContact O-N 3.16Å; I167-T171 PolarHBondContact O-N 3.49Å; I167-T171 PolarHBondContact O-OG1 2.98Å; I167-T171 VanDerWaalsContact O-OG1 3.11Å
168E98.6Very high98.3Very high101 Ų10178.4 Ų78.447%0.47238%0.378SS..Hα-helixtrans-55.7-50.4-177.6-67.1167.6-172.100111.6L164 R165 A170 T171 Y172L164-E168 PolarHBondContact O-N 3.18Å; L164-E168 VanDerWaalsContact O-N 3.14Å; R165-E168 WeakPolarHBondContact CD-OE2 3.16Å; R165-E168 IonicContact CZ-OE2 3.71Å; R165-E168 IonicContact NE-OE2 3.89Å; R165-E168 IonicContact NH1-OE2 2.75Å; R165-E168 PolarHBondContact NH1-OE2 3.29Å; R165-E168 PolarHBondContact O-N 2.88Å; E168-A170 PolarHBondContact O-N 2.91Å; E168-T171 PolarHBondContact O-N 3.35Å; E168-Y172 VanDerWaalsContact O-CB 3.27Å; E168-Y172 WeakPolarHBondContact O-CB 3.32Å; E168-Y172 PolarHBondContact O-N 3.22Å
169I98.6Very high98.4Very high6 Ų677 Ų773%0.03137%0.368CS..Hα-helixtrans-64.6-41.5179-65167.5000111.2L151 E154 L161 R165 I167 Y172 L173 V180L151-I169 HydrophobicContact CD2-CG2 4.03Å; E154-I169 HydrophobicContact CB-CD1 3.96Å; E154-I169 HydrophobicContact CG-CD1 3.69Å; E154-I169 HydrophobicContact CG-CG1 4.09Å; L161-I169 HydrophobicContact CD1-CD1 3.87Å; L161-I169 HydrophobicContact CD2-CD1 3.66Å; L161-I169 HydrophobicContact CG-CD1 4.42Å; R165-I169 HydrophobicContact CG-CD1 3.91Å; R165-I169 HydrophobicContact CG-CG1 4.49Å; R165-I169 WeakPolarHBondContact O-CG1 3.3Å; R165-I169 PolarHBondContact O-N 2.87Å; R165-I169 VanDerWaalsContact O-N 3.09Å; I167-I169 PolarHBondContact O-N 3.14Å; I169-Y172 PolarHBondContact O-N 2.92Å; I169-L173 HydrophobicContact CG2-CD1 3.72Å; I169-L173 HydrophobicContact CG2-CG 4.29Å; I169-L173 WeakPolarHBondContact O-CB 3.49Å; I169-L173 WeakPolarHBondContact O-CG 3.48Å; I169-L173 PolarHBondContact O-N 3.37Å; I169-V180 HydrophobicContact CG2-CG1 4.06Å; I169-V180 HydrophobicContact CG2-CG2 4.3Å
170A98.6Very high98.4Very high5 Ų574 Ų744%0.04135%0.354CS..Hα-helixtrans-61-47.3179.400000111.4R166 I167 E168 N174 L175 E177 V180R166-A170 WeakPolarHBondContact O-CB 3.34Å; R166-A170 PolarHBondContact O-N 3.24Å; I167-A170 WeakPolarHBondContact O-CB 3.23Å; I167-A170 PolarHBondContact O-N 3.44Å; I167-A170 VanDerWaalsContact O-N 3.16Å; E168-A170 PolarHBondContact O-N 2.91Å; A170-N174 PolarHBondContact O-N 3.04Å; A170-N174 VanDerWaalsContact O-N 3.13Å; A170-L175 CarbonylContact C-O 3.43Å; A170-L175 WeakPolarHBondContact CB-O 3.31Å; A170-L175 PolarHBondContact O-N 2.97Å; A170-L175 VanDerWaalsContact O-O 3.04Å; A170-E177 HydrophobicContact CB-CG 4.15Å; A170-V180 HydrophobicContact CB-CG2 4.06Å
171T98.5Very high98.4Very high100 Ų10072.7 Ų72.761%0.61335%0.351SS*.Hα-helixtrans-64.2-46.6177-56.60000111.4I167 E168 L173 N174I167-T171 PolarHBondContact O-N 3.49Å; I167-T171 PolarHBondContact O-OG1 2.98Å; I167-T171 VanDerWaalsContact O-OG1 3.11Å; E168-T171 PolarHBondContact O-N 3.35Å; T171-L173 VanDerWaalsContact C-N 3.34Å; T171-L173 PolarHBondContact O-N 3.26Å; T171-N174 PolarHBondContact O-N 2.95Å
172Y98.3Very high98.4Very high155 Ų15574.7 Ų74.761%0.60836%0.361SS*.Hα-helixtrans-62.2-38-178.4178.7-112.7000113.1E150 E168 I169E150-Y172 HydrophobicContact CG-CE1 4.03Å; E168-Y172 VanDerWaalsContact O-CB 3.27Å; E168-Y172 WeakPolarHBondContact O-CB 3.32Å; E168-Y172 PolarHBondContact O-N 3.22Å; I169-Y172 PolarHBondContact O-N 2.92Å
173L98.3Very high98.4Very high13 Ų1372.8 Ų72.87%0.06834%0.343CS..THydrogen-bonded Turntrans-94.93-177.8-60.2-177.3000114.1Q147 E150 L151 I169 T171 L175Q147-L173 HydrophobicContact CG-CB 4.37Å; Q147-L173 PolarHBondContact NE2-O 3.37Å; E150-L173 HydrophobicContact CB-CD1 4.09Å; E150-L173 HydrophobicContact CB-CD2 3.61Å; E150-L173 HydrophobicContact CB-CG 4.45Å; E150-L173 HydrophobicContact CG-CD2 3.9Å; L151-L173 HydrophobicContact CD1-CD1 4.47Å; L151-L173 HydrophobicContact CD2-CD1 3.86Å; L151-L173 HydrophobicContact CG-CD1 3.72Å; I169-L173 HydrophobicContact CG2-CD1 3.72Å; I169-L173 HydrophobicContact CG2-CG 4.29Å; I169-L173 WeakPolarHBondContact O-CB 3.49Å; I169-L173 WeakPolarHBondContact O-CG 3.48Å; I169-L173 PolarHBondContact O-N 3.37Å; T171-L173 VanDerWaalsContact C-N 3.34Å; T171-L173 PolarHBondContact O-N 3.26Å; L173-L175 VanDerWaalsContact C-N 3.26Å; L173-L175 HydrophobicContact CB-CD1 4.17Å; L173-L175 HydrophobicContact CB-CG 4.09Å; L173-L175 PolarHBondContact O-N 2.89Å
174N98.3Very high98.4Very high149 Ų14966.9 Ų66.980%0.79732%0.321SS*.THydrogen-bonded Turntrans51.743.3-171.9-59.599.2000112.9A170 T171A170-N174 PolarHBondContact O-N 3.04Å; A170-N174 VanDerWaalsContact O-N 3.13Å; T171-N174 PolarHBondContact O-N 2.95Å
175L97.9Very high98.4Very high20 Ų2066.1 Ų66.111%0.10531%0.314CS..  trans-113.9157.7176-64.6-179.1000110.3F143 L151 A170 L173 Q179 V180F143-L175 HydrophobicContact CD1-CD1 4.11Å; F143-L175 HydrophobicContact CD1-CD2 3.78Å; F143-L175 HydrophobicContact CE1-CD1 4.04Å; F143-L175 HydrophobicContact CE1-CD2 3.71Å; L151-L175 HydrophobicContact CD1-CD1 4.27Å; A170-L175 CarbonylContact C-O 3.43Å; A170-L175 WeakPolarHBondContact CB-O 3.31Å; A170-L175 PolarHBondContact O-N 2.97Å; A170-L175 VanDerWaalsContact O-O 3.04Å; L173-L175 VanDerWaalsContact C-N 3.26Å; L173-L175 HydrophobicContact CB-CD1 4.17Å; L173-L175 HydrophobicContact CB-CG 4.09Å; L173-L175 PolarHBondContact O-N 2.89Å; L175-Q179 HydrophobicContact CB-CB 4.44Å; L175-V180 HydrophobicContact CB-CG2 4.1Å; L175-V180 HydrophobicContact CD1-CG2 4.44Å
176S98.3Very high98.4Very high54 Ų5466.6 Ų66.638%0.37832%0.324SS..  trans-73.6148.1167.865.60000111K178 Q179 V180S176-K178 PolarHBondContact O-N 3.41Å; S176-Q179 WeakPolarHBondContact O-CB 3.43Å; S176-Q179 PolarHBondContact O-N 3.37Å; S176-Q179 VanDerWaalsContact OG-CG 3.3Å; S176-Q179 WeakPolarHBondContact OG-CG 3.26Å; S176-Q179 PolarHBondContact OG-N 2.81Å; S176-Q179 PolarHBondContact OG-OE1 3.33Å; S176-V180 PolarHBondContact O-N 3.43Å; S176-V180 VanDerWaalsContact O-N 3.14Å
177E98.4Very high98.3Very high58 Ų5866.3 Ų66.327%0.27132%0.323SS..Hα-helixtrans-51.8-34172.7-66.7-171.3-149.100112.8R163 R166 A170 K181R163-E177 IonicContact CZ-OE1 3.25Å; R163-E177 VanDerWaalsContact CZ-OE1 3.25Å; R163-E177 IonicContact CZ-OE2 3.08Å; R163-E177 IonicContact NE-OE2 3.88Å; R163-E177 IonicContact NH1-OE1 2.87Å; R163-E177 PolarHBondContact NH1-OE1 3.04Å; R163-E177 IonicContact NH1-OE2 2.75Å; R163-E177 PolarHBondContact NH1-OE2 3.1Å; R163-E177 IonicContact NH2-OE1 2.81Å; R163-E177 PolarHBondContact NH2-OE1 3.06Å; R163-E177 IonicContact NH2-OE2 3.24Å; R163-E177 PolarHBondContact NH2-OE2 3.19Å; R166-E177 HydrophobicContact CG-CB 4.25Å; A170-E177 HydrophobicContact CB-CG 4.15Å; E177-K181 VanDerWaalsContact O-CB 3.31Å; E177-K181 WeakPolarHBondContact O-CB 3.44Å; E177-K181 PolarHBondContact O-N 3.33Å
178K98Very high98.3Very high133 Ų13367.2 Ų67.258%0.57832%0.322SS*.Hα-helixtrans-64.9-43.3177.1-178.5179.5177.3178.80111.6S176 K181 I182S176-K178 PolarHBondContact O-N 3.41Å; K178-K181 PolarHBondContact O-N 3.5Å; K178-I182 HydrophobicContact CG-CD1 3.9Å; K178-I182 WeakPolarHBondContact O-CB 3.39Å; K178-I182 VanDerWaalsContact O-CG1 3.26Å; K178-I182 WeakPolarHBondContact O-CG1 3.44Å; K178-I182 PolarHBondContact O-N 2.93Å
179Q98.2Very high98.2Very high57 Ų5766.6 Ų66.627%0.26633%0.325SS..Hα-helixtrans-63-46176.8-77.6163.5-61.500110.9F143 L175 S176 K181 I182 W183F143-Q179 HydrophobicContact CE1-CB 4.21Å; F143-Q179 HydrophobicContact CE1-CG 4.34Å; F143-Q179 HydrophobicContact CZ-CB 4.01Å; F143-Q179 HydrophobicContact CZ-CG 4.31Å; L175-Q179 HydrophobicContact CB-CB 4.44Å; S176-Q179 WeakPolarHBondContact O-CB 3.43Å; S176-Q179 PolarHBondContact O-N 3.37Å; S176-Q179 VanDerWaalsContact OG-CG 3.3Å; S176-Q179 WeakPolarHBondContact OG-CG 3.26Å; S176-Q179 PolarHBondContact OG-N 2.81Å; S176-Q179 PolarHBondContact OG-OE1 3.33Å; Q179-K181 VanDerWaalsContact C-N 3.34Å; Q179-K181 PolarHBondContact O-N 2.87Å; Q179-I182 PolarHBondContact O-N 3.21Å; Q179-W183 WeakPolarHBondContact O-CB 3.5Å; Q179-W183 PolarHBondContact O-N 3.21Å
180V98.4Very high98.1Very high0 Ų071.9 Ų71.90%035%0.348CS..Hα-helixtrans-59.2-46.1175.5-179.10000110.5L151 L161 R166 I169 A170 L175 S176 I182 W183 F184L151-V180 HydrophobicContact CD2-CG1 4.24Å; L161-V180 HydrophobicContact CD1-CG1 3.54Å; R166-V180 HydrophobicContact CG-CB 4.36Å; R166-V180 HydrophobicContact CG-CG1 4.23Å; I169-V180 HydrophobicContact CG2-CG1 4.06Å; I169-V180 HydrophobicContact CG2-CG2 4.3Å; A170-V180 HydrophobicContact CB-CG2 4.06Å; L175-V180 HydrophobicContact CB-CG2 4.1Å; L175-V180 HydrophobicContact CD1-CG2 4.44Å; S176-V180 PolarHBondContact O-N 3.43Å; S176-V180 VanDerWaalsContact O-N 3.14Å; V180-I182 PolarHBondContact O-N 2.9Å; V180-W183 PolarHBondContact O-N 3.39Å; V180-F184 HydrophobicContact CG1-CD2 4.02Å; V180-F184 HydrophobicContact CG1-CE2 4.15Å; V180-F184 WeakPolarHBondContact O-CD2 3.42Å; V180-F184 PolarHBondContact O-N 3.06Å
181K98.2Very high98Very high113 Ų11375.7 Ų75.749%0.49137%0.365SS..Hα-helixtrans-57.9-46.6176.3-177.9-175.6177.1-177.90112.4E177 K178 Q179 Q185E177-K181 VanDerWaalsContact O-CB 3.31Å; E177-K181 WeakPolarHBondContact O-CB 3.44Å; E177-K181 PolarHBondContact O-N 3.33Å; K178-K181 PolarHBondContact O-N 3.5Å; Q179-K181 VanDerWaalsContact C-N 3.34Å; Q179-K181 PolarHBondContact O-N 2.87Å; K181-Q185 WeakPolarHBondContact O-CB 3.39Å; K181-Q185 PolarHBondContact O-N 2.93Å
182I98.2Very high97.8Very high73 Ų7376.9 Ų76.937%0.37436%0.362SS..Hα-helixtrans-65.4-43.4179.7-70.5167.6000110.3K178 Q179 V180 F184 Q185 N186K178-I182 HydrophobicContact CG-CD1 3.9Å; K178-I182 WeakPolarHBondContact O-CB 3.39Å; K178-I182 VanDerWaalsContact O-CG1 3.26Å; K178-I182 WeakPolarHBondContact O-CG1 3.44Å; K178-I182 PolarHBondContact O-N 2.93Å; Q179-I182 PolarHBondContact O-N 3.21Å; V180-I182 PolarHBondContact O-N 2.9Å; I182-F184 PolarHBondContact O-N 3.35Å; I182-Q185 PolarHBondContact O-N 3.26Å; I182-N186 VanDerWaalsContact O-CG 3.31Å; I182-N186 PolarHBondContact O-N 3Å; I182-N186 PolarHBondContact O-ND2 3.26Å
183W98.4Very high97.6Very high28 Ų2877.3 Ų77.311%0.10637%0.366CS..Hα-helixtrans-60.3-47.8178.7-171.6100000111.2F143 L151 E152 F155 Q179 V180 Q185 N186 R187F143-W183 AromaticContact CD2-CD1 3.75Å; F143-W183 HydrophobicContact CE2-CB 4.33Å; F143-W183 AromaticContact CE2-CD1 3.64Å; F143-W183 HydrophobicContact CE2-CG 4.35Å; L151-W183 VanDerWaalsContact C-CH2 3.48Å; L151-W183 HydrophobicContact CB-CD2 3.92Å; L151-W183 HydrophobicContact CB-CE3 3.86Å; L151-W183 HydrophobicContact CB-CH2 3.61Å; L151-W183 HydrophobicContact CB-CZ2 3.65Å; L151-W183 HydrophobicContact CB-CZ3 3.72Å; L151-W183 HydrophobicContact CD1-CB 4.49Å; L151-W183 HydrophobicContact CD1-CD2 3.85Å; L151-W183 HydrophobicContact CD1-CE3 4.45Å; L151-W183 HydrophobicContact CD1-CG 3.83Å; L151-W183 HydrophobicContact CD2-CD2 4.44Å; L151-W183 HydrophobicContact CD2-CE3 4.28Å; L151-W183 HydrophobicContact CG-CD2 4.29Å; L151-W183 HydrophobicContact CG-CE3 4.42Å; L151-W183 WeakPolarHBondContact O-CH2 3.3Å; L151-W183 WeakPolarHBondContact O-CZ3 3.5Å; E152-W183 HydrophobicContact CG-CH2 3.82Å; E152-W183 HydrophobicContact CG-CZ2 3.87Å; F155-W183 HydrophobicContact CB-CH2 4.34Å; F155-W183 HydrophobicContact CB-CZ3 4.09Å; F155-W183 HydrophobicContact CD2-CZ3 4.42Å; F155-W183 HydrophobicContact CG-CZ3 4.49Å; Q179-W183 WeakPolarHBondContact O-CB 3.5Å; Q179-W183 PolarHBondContact O-N 3.21Å; V180-W183 PolarHBondContact O-N 3.39Å; W183-Q185 VanDerWaalsContact C-N 3.31Å; W183-Q185 PolarHBondContact O-N 3.11Å; W183-N186 PolarHBondContact O-N 3.39Å; W183-R187 HydrophobicContact CE3-CB 3.99Å; W183-R187 HydrophobicContact CH2-CB 4.03Å; W183-R187 HydrophobicContact CH2-CG 3.76Å; W183-R187 HydrophobicContact CZ2-CG 4.48Å; W183-R187 HydrophobicContact CZ3-CB 3.73Å; W183-R187 HydrophobicContact CZ3-CG 3.81Å; W183-R187 WeakPolarHBondContact O-CB 3.41Å; W183-R187 PolarHBondContact O-N 3.47Å
184F98.7Very high97.2Very high9 Ų980.4 Ų80.44%0.03938%0.381CS..Hα-helixtrans-62.6-36.1176.8-91.8-104.1000112.7L151 E154 F155 N158 L161 V180 I182 R188L151-F184 HydrophobicContact CD2-CE2 3.95Å; E154-F184 HydrophobicContact CB-CZ 4.07Å; F155-F184 HydrophobicContact CB-CE1 4.2Å; F155-F184 HydrophobicContact CB-CZ 4.33Å; F155-F184 AromaticContact CD2-CD1 3.9Å; F155-F184 HydrophobicContact CD2-CD1 3.9Å; F155-F184 AromaticContact CD2-CE1 3.9Å; F155-F184 HydrophobicContact CD2-CE1 3.9Å; N158-F184 WeakPolarHBondContact O-CE1 3.31Å; L161-F184 HydrophobicContact CD1-CD1 4.15Å; L161-F184 HydrophobicContact CD1-CD2 3.64Å; L161-F184 HydrophobicContact CD1-CE1 3.99Å; L161-F184 HydrophobicContact CD1-CE2 3.49Å; L161-F184 VanDerWaalsContact CD1-CE2 3.49Å; L161-F184 HydrophobicContact CD1-CG 3.98Å; L161-F184 HydrophobicContact CD1-CZ 3.68Å; L161-F184 HydrophobicContact CD2-CD1 4.4Å; L161-F184 HydrophobicContact CD2-CE1 3.68Å; L161-F184 HydrophobicContact CD2-CE2 4.36Å; L161-F184 HydrophobicContact CD2-CZ 3.67Å; L161-F184 HydrophobicContact CG-CD1 3.77Å; L161-F184 HydrophobicContact CG-CD2 4.2Å; L161-F184 HydrophobicContact CG-CE1 3.54Å; L161-F184 HydrophobicContact CG-CE2 4.02Å; L161-F184 HydrophobicContact CG-CG 4.1Å; L161-F184 HydrophobicContact CG-CZ 3.69Å; V180-F184 HydrophobicContact CG1-CD2 4.02Å; V180-F184 HydrophobicContact CG1-CE2 4.15Å; V180-F184 WeakPolarHBondContact O-CD2 3.42Å; V180-F184 PolarHBondContact O-N 3.06Å; I182-F184 PolarHBondContact O-N 3.35Å; F184-R188 WeakPolarHBondContact O-CG 3.45Å; F184-R188 PolarHBondContact O-N 3.45Å
185Q98.6Very high96.2Very high103 Ų10376.3 Ų76.348%0.48137%0.374SS..Hα-helixtrans-64.3-46.7174.5-172170.316.600111.4K181 I182 W183 R188 V189K181-Q185 WeakPolarHBondContact O-CB 3.39Å; K181-Q185 PolarHBondContact O-N 2.93Å; I182-Q185 PolarHBondContact O-N 3.26Å; W183-Q185 VanDerWaalsContact C-N 3.31Å; W183-Q185 PolarHBondContact O-N 3.11Å; Q185-R188 PolarHBondContact O-N 3.49Å; Q185-V189 WeakPolarHBondContact O-CG2 3.41Å; Q185-V189 PolarHBondContact O-N 3.07Å
186N97.9Very high94.6Very high102 Ų10283 Ų8355%0.54540%0.402SS..Hα-helixtrans-63.9-42.8177.1-69.3-17.6000111.5I182 W183 R188 V189 K190I182-N186 VanDerWaalsContact O-CG 3.31Å; I182-N186 PolarHBondContact O-N 3Å; I182-N186 PolarHBondContact O-ND2 3.26Å; W183-N186 PolarHBondContact O-N 3.39Å; N186-R188 PolarHBondContact O-N 3.19Å; N186-V189 PolarHBondContact O-N 2.93Å; N186-K190 PolarHBondContact O-N 3.06Å
187R98.1Very high92.7Very high49 Ų4983.9 Ų83.919%0.18541%0.408CS..Hα-helixtrans-62.5-41.8-179.8-175.563.8-170.3109.4-8.7112F155 W183 V189 K190 H191 E194F155-R187 HydrophobicContact CB-CG 4.49Å; F155-R187 HydrophobicContact CD1-CG 3.78Å; F155-R187 HydrophobicContact CD2-CB 4.09Å; F155-R187 HydrophobicContact CD2-CG 3.56Å; F155-R187 HydrophobicContact CE1-CG 3.77Å; F155-R187 HydrophobicContact CE2-CB 3.97Å; F155-R187 HydrophobicContact CE2-CG 3.55Å; F155-R187 HydrophobicContact CG-CG 3.66Å; F155-R187 HydrophobicContact CZ-CB 4.39Å; F155-R187 HydrophobicContact CZ-CG 3.64Å; W183-R187 HydrophobicContact CE3-CB 3.99Å; W183-R187 HydrophobicContact CH2-CB 4.03Å; W183-R187 HydrophobicContact CH2-CG 3.76Å; W183-R187 HydrophobicContact CZ2-CG 4.48Å; W183-R187 HydrophobicContact CZ3-CB 3.73Å; W183-R187 HydrophobicContact CZ3-CG 3.81Å; W183-R187 WeakPolarHBondContact O-CB 3.41Å; W183-R187 PolarHBondContact O-N 3.47Å; R187-V189 PolarHBondContact O-N 3.23Å; R187-K190 WeakPolarHBondContact O-CB 3Å; R187-K190 PolarHBondContact O-N 3.42Å; R187-H191 WeakPolarHBondContact O-CB 3.36Å; R187-H191 PolarHBondContact O-N 2.9Å; R187-E194 IonicContact CZ-OE2 3.82Å; R187-E194 IonicContact NH1-OE1 3.79Å; R187-E194 IonicContact NH1-OE2 2.93Å; R187-E194 PolarHBondContact NH1-OE2 3.48Å; R187-E194 IonicContact NH2-OE2 3.74Å
188R97.8Very high90.5Very high83 Ų8384.7 Ų84.731%0.31343%0.432SS..Hα-helixtrans-62-39.5174.1-73.8-172.5-69.5141.3-4.2112.8F155 M159 F184 Q185 N186 H191 K192F155-R188 HydrophobicContact CE2-CG 3.66Å; F155-R188 HydrophobicContact CZ-CG 4.08Å; M159-R188 WeakPolarHBondContact O-CD 3.37Å; F184-R188 WeakPolarHBondContact O-CG 3.45Å; F184-R188 PolarHBondContact O-N 3.45Å; Q185-R188 PolarHBondContact O-N 3.49Å; N186-R188 PolarHBondContact O-N 3.19Å; R188-H191 PolarHBondContact O-N 3.01Å; R188-K192 WeakPolarHBondContact O-CB 3.39Å; R188-K192 PolarHBondContact O-N 2.87Å
189V97.5Very high88.2Confident89 Ų8981.1 Ų81.154%0.53943%0.433SS..Hα-helixtrans-63.4-44.9175.6173.90000110.7Q185 N186 R187 K192 K193Q185-V189 WeakPolarHBondContact O-CG2 3.41Å; Q185-V189 PolarHBondContact O-N 3.07Å; N186-V189 PolarHBondContact O-N 2.93Å; R187-V189 PolarHBondContact O-N 3.23Å; V189-K192 PolarHBondContact O-N 2.84Å; V189-K193 PolarHBondContact O-N 2.84Å
190K95.9Very high85.8Confident117 Ų11786.1 Ų86.151%0.50946%0.456SS..Hα-helixtrans-59.8-50.4176.3-162.7-162.3-179.1-150.90111.2N186 R187 K192 K193 E194N186-K190 PolarHBondContact O-N 3.06Å; R187-K190 WeakPolarHBondContact O-CB 3Å; R187-K190 PolarHBondContact O-N 3.42Å; K190-K192 VanDerWaalsContact C-N 3.3Å; K190-K192 PolarHBondContact O-N 3.24Å; K190-K193 WeakPolarHBondContact O-CA 3.35Å; K190-K193 WeakPolarHBondContact O-CB 3.16Å; K190-K193 PolarHBondContact O-N 2.75Å; K190-E194 VanDerWaalsContact CD-OE1 3.23Å; K190-E194 WeakPolarHBondContact CD-OE1 3.47Å; K190-E194 WeakPolarHBondContact CE-OE1 3.45Å; K190-E194 VanDerWaalsContact CG-OE1 3.32Å; K190-E194 WeakPolarHBondContact CG-OE1 3.33Å; K190-E194 IonicContact NZ-OE1 2.8Å; K190-E194 PolarHBondContact NZ-OE1 3.24Å; K190-E194 VanDerWaalsContact O-CG 3.3Å; K190-E194 WeakPolarHBondContact O-CG 3.42Å; K190-E194 PolarHBondContact O-N 3.06Å
191H95.5Very high83.2Confident84 Ų8496.5 Ų96.539%0.38950%0.495SS..Hα-helixtrans-57.5-42.4177.4-175-84000112.4F155 M159 R187 R188 K193 E194 G195F155-H191 HydrophobicContact CE1-CB 4.3Å; F155-H191 HydrophobicContact CZ-CB 4.14Å; M159-H191 HydrophobicContact CE-CB 4.12Å; M159-H191 VanDerWaalsContact CE-ND1 3.31Å; M159-H191 WeakPolarHBondContact CE-ND1 3.49Å; R187-H191 WeakPolarHBondContact O-CB 3.36Å; R187-H191 PolarHBondContact O-N 2.9Å; R188-H191 PolarHBondContact O-N 3.01Å; H191-K193 VanDerWaalsContact C-N 3.29Å; H191-K193 PolarHBondContact O-N 3.25Å; H191-E194 WeakPolarHBondContact CA-OE2 3.32Å; H191-E194 PolarHBondContact O-N 3.29Å; H191-G195 PolarHBondContact O-N 3.44Å; H191-G195 VanDerWaalsContact O-N 3.11Å
192K95.1Very high80.9Confident126 Ų12698.1 Ų98.155%0.54852%0.515SS..Hα-helixtrans-62.5-36.8175.8-171.5178.672.5173.60112R188 V189 K190 K196R188-K192 WeakPolarHBondContact O-CB 3.39Å; R188-K192 PolarHBondContact O-N 2.87Å; V189-K192 PolarHBondContact O-N 2.84Å; K190-K192 VanDerWaalsContact C-N 3.3Å; K190-K192 PolarHBondContact O-N 3.24Å; K192-K196 HydrophobicContact CG-CD 4.25Å; K192-K196 WeakPolarHBondContact O-CD 3.32Å
193K93.1Very high78.4Confident163 Ų16397.1 Ų97.171%0.70952%0.522SS*.Hα-helixtrans-71.1-43.9178-172.9-179.5176.7-175.60110.9V189 K190 H191 G195 K196 S197V189-K193 PolarHBondContact O-N 2.84Å; K190-K193 WeakPolarHBondContact O-CA 3.35Å; K190-K193 WeakPolarHBondContact O-CB 3.16Å; K190-K193 PolarHBondContact O-N 2.75Å; H191-K193 VanDerWaalsContact C-N 3.29Å; H191-K193 PolarHBondContact O-N 3.25Å; K193-G195 VanDerWaalsContact C-N 3.32Å; K193-G195 PolarHBondContact O-N 3.09Å; K193-K196 PolarHBondContact O-N 3.03Å; K193-S197 PolarHBondContact O-OG 3.05Å
194E89.8Confident76.3Confident79 Ų79100.3 Ų100.337%0.36955%0.549SS..Hα-helixtrans-56.8-42.4178-69.5162.6169.900111.5R187 K190 H191 K196 S197R187-E194 IonicContact CZ-OE2 3.82Å; R187-E194 IonicContact NH1-OE1 3.79Å; R187-E194 IonicContact NH1-OE2 2.93Å; R187-E194 PolarHBondContact NH1-OE2 3.48Å; R187-E194 IonicContact NH2-OE2 3.74Å; K190-E194 VanDerWaalsContact CD-OE1 3.23Å; K190-E194 WeakPolarHBondContact CD-OE1 3.47Å; K190-E194 WeakPolarHBondContact CE-OE1 3.45Å; K190-E194 VanDerWaalsContact CG-OE1 3.32Å; K190-E194 WeakPolarHBondContact CG-OE1 3.33Å; K190-E194 IonicContact NZ-OE1 2.8Å; K190-E194 PolarHBondContact NZ-OE1 3.24Å; K190-E194 VanDerWaalsContact O-CG 3.3Å; K190-E194 WeakPolarHBondContact O-CG 3.42Å; K190-E194 PolarHBondContact O-N 3.06Å; H191-E194 WeakPolarHBondContact CA-OE2 3.32Å; H191-E194 PolarHBondContact O-N 3.29Å; E194-K196 PolarHBondContact O-N 3.23Å; E194-S197 PolarHBondContact O-OG 2.98Å
195G78.4Confident74.1Confident63 Ų63109 Ų10965%0.64959%0.589SS**THydrogen-bonded Turntrans-75.2-15.2179.400000116.4H191 K193H191-G195 PolarHBondContact O-N 3.44Å; H191-G195 VanDerWaalsContact O-N 3.11Å; K193-G195 VanDerWaalsContact C-N 3.32Å; K193-G195 PolarHBondContact O-N 3.09Å
196K63.7Low71.8Confident160 Ų160110 Ų11070%0.69660%0.598SS**THydrogen-bonded Turntrans-87.7-18.9175.7-92.893.6172.8163.70113.4K192 K193 E194 G198K192-K196 HydrophobicContact CG-CD 4.25Å; K192-K196 WeakPolarHBondContact O-CD 3.32Å; K193-K196 PolarHBondContact O-N 3.03Å; E194-K196 PolarHBondContact O-N 3.23Å; K196-G198 VanDerWaalsContact C-N 3.3Å
197S58.9Low69.2Low72 Ų72109.5 Ų109.550%0.50360%0.601SS.*SBendtrans-90.69.9176.843.40000113.1K193 E194 G199K193-S197 PolarHBondContact O-OG 3.05Å; E194-S197 PolarHBondContact O-OG 2.98Å; S197-G199 PolarHBondContact O-N 3.35Å
198G51.8Low66.8Low76 Ų76116.9 Ų116.978%0.78464%0.635SS**  trans-75.323.1-175.600000116.4K196K196-G198 VanDerWaalsContact C-N 3.3Å
199G50.6Low64.2Low57 Ų57117.8 Ų117.859%0.58865%0.653SS**SBendtrans-128.3109.7162.100000107.3S197S197-G199 PolarHBondContact O-N 3.35Å
200Q46.3Very low61.7Low162 Ų162117.7 Ų117.776%0.75766%0.656SS**SBendtrans80.1106.1-176.1-9876.82.200117.5
201R44.5Very low59.3Low219 Ų219117 Ų11783%0.82667%0.666SS**  trans106.994.1136.7-53.8-122.5142.2174.9-8.9115.5G203R201-G203 PolarHBondContact O-N 3.39Å
202T49.6Very low57.3Low147 Ų147120.9 Ų120.990%0.90269%0.689SS**  -26.2114.512448.50000110.7
203G46.1Very low55.2Low51 Ų51120.2 Ų120.253%0.52670%0.7SS.*  trans157.799.3-178.400000110.5R201 H205R201-G203 PolarHBondContact O-N 3.39Å; G203-H205 PolarHBondContact O-N 3.04Å
204S54.7Low52.9Low96 Ų96117.3 Ų117.367%0.67171%0.707SS**  trans-10.9105.9150.5-172.60000112.3N206S204-N206 PolarHBondContact O-N 3.3Å; S204-N206 PolarHBondContact OG-N 3.07Å; S204-N206 PolarHBondContact OG-OD1 3.29Å
205H53Low50.8Low191 Ų191117.9 Ų117.988%0.88473%0.725SS**  trans-71.473.3156.5-81.5-67.7000107G203 C207G203-H205 PolarHBondContact O-N 3.04Å; H205-C207 PolarHBondContact O-N 3.08Å
206N48.7Very low49.3Very low123 Ų123125.9 Ų125.966%0.65874%0.735SS**  trans-46.4116.9158.2-103.566.3000107.2S204 K208S204-N206 PolarHBondContact O-N 3.3Å; S204-N206 PolarHBondContact OG-N 3.07Å; S204-N206 PolarHBondContact OG-OD1 3.29Å; N206-K208 PolarHBondContact O-N 3.13Å
207C43.6Very low47.7Very low92 Ų92124.5 Ų124.562%0.62274%0.744SS**  trans-58.5125.5161.4-150.90000107.6H205 C209H205-C207 PolarHBondContact O-N 3.08Å; C207-C209 PolarHBondContact O-N 3.45Å; C207-C209 VanDerWaalsContact SG-SG 3.63Å
208K48.8Very low46.8Very low204 Ų204125.8 Ų125.889%0.88775%0.753SS**THydrogen-bonded Turntrans-84.644.7-177.6-154.3122.9179.1178.10111.8N206N206-K208 PolarHBondContact O-N 3.13Å
209C41.8Very low46.7Very low102 Ų102131.3 Ų131.369%0.68976%0.758SS**THydrogen-bonded Turntrans-119.74.7176.161.30000114.4C207C207-C209 PolarHBondContact O-N 3.45Å; C207-C209 VanDerWaalsContact SG-SG 3.63Å
210S46.8Very low46.8Very low88 Ų88136.3 Ų136.362%0.61577%0.767SS**  trans-10510.9-178.9-48.60000114.5L212S210-L212 PolarHBondContact O-N 3.41Å
211S44Very low47Very low103 Ų103137.9 Ų137.972%0.7277%0.774SS**THydrogen-bonded Turntrans-80.328-174.365.40000115.1
212L53.8Low47.1Very low165 Ų165134.2 Ų134.286%0.86477%0.771SS**THydrogen-bonded Turntrans-13645.2173.7-67.8174.6000112S210S210-L212 PolarHBondContact O-N 3.41Å
213S51.9Low47.1Very low111 Ų111134.7 Ų134.778%0.77677%0.768SS**  trans-174.772.4160.939.60000111.4
214A45Very low47.1Very low103 Ų103138.9 Ų138.985%0.85178%0.778SS**  trans-143.665.5159.200000108.2R216A214-R216 PolarHBondContact O-N 3.48Å
215A44.6Very low46.7Very low91 Ų91141.1 Ų141.175%0.75278%0.781SS**  trans-76.7113.8162.600000107.7
216R47.3Very low46.6Very low231 Ų231137.7 Ų137.787%0.87278%0.776SS**  trans46.4101.2138.2-42.6-75.2-178.6131.11.3116.4A214A214-R216 PolarHBondContact O-N 3.48Å
217C30.9Very low46.4Very low130 Ų130135.8 Ų135.888%0.87878%0.777SS**  trans-129.5100.2138.6-87.10000106.2
218S39.9Very low46.2Very low99 Ų99136.8 Ų136.869%0.69279%0.785SS**  trans-75127.2155.7-65.50000106.1
219E47.8Very low46.4Very low192 Ų192133 Ų13390%0.89778%0.781SS**  trans-151.6137.2148-103.5161.2149.300106.1
220E53Low46.6Very low163 Ų163133.2 Ų133.276%0.76278%0.784SS**  trans-124.9132.8-157.846.2-161.398.900105.7
221E51Low46.4Very low194 Ų194134.7 Ų134.791%0.90779%0.794SS**  trans174.596.1161.8-98.8166.6115.900104.3
222D46.7Very low46.6Very low142 Ų142134.5 Ų134.576%0.75979%0.793SS**  59.8104.280.8-150.4-98.4000111.5
223D49.3Very low46.3Very low157 Ų157133.6 Ų133.684%0.8478%0.784SS**  trans-172158.5133.9-115.5-57.6000111.8
224D46Very low46.3Very low140 Ų140136.2 Ų136.275%0.74978%0.782SS**  trans-79.6164-141.9-129.1-72.2000118
225I46.5Very low46.7Very low143 Ų143140.4 Ų140.473%0.73378%0.784SS**  trans-61.3168.5165.9-78175.8000109.5
226P52.3Low47Very low118 Ų118143.4 Ų143.477%0.76679%0.787SS**  cis-141.7177.722.814.415.3000118.5
227A43.4Very low48Very low83 Ų83138.4 Ų138.469%0.68678%0.782SS**  trans-65.2153.8169.100000116.8
228S40.3Very low49.1Very low114 Ų114138.9 Ų138.980%0.79778%0.776SS**  trans75.5165.7145-56.50000117.7
229P53.2Low50.2Low123 Ų123141 Ų14180%0.79978%0.779SS**  cis-136.1-178.13.131.2-7.2000116.1
230S44.8Very low50.8Low107 Ų107136.5 Ų136.575%0.74877%0.768SS**  trans-27.3147159.7-176.10000118.8
231S42.8Very low51Low119 Ų119135.8 Ų135.883%0.83278%0.775SS**  trans-145.2120.5145.565.80000112.3
232S48.5Very low51.1Low99 Ų99131.8 Ų131.869%0.69277%0.768SS**  trans-73.7173.4163.4-69.20000112.2
233E46.6Very low52.2Low146 Ų146134.5 Ų134.568%0.68279%0.793SS**  trans99.3108.8155.2-52-163.5103.700116.6
234K52.5Low52.3Low167 Ų167133.4 Ų133.473%0.72679%0.791SS**  83.7134.2106-67.3172.1-175.2164.20110
235E54.2Low52.6Low190 Ų190133 Ų13389%0.88879%0.793SS**  -176.215181.4-79.2169.7151.100110.8
236D50.9Low53Low154 Ų154132.4 Ų132.482%0.82480%0.797SS**  trans-41.6142.3169-88.1-115.1000116.4
237V66.9Low53Low126 Ų126133.3 Ų133.376%0.76480%0.799SS**  trans-135.199147.5171.80000108.8L239V237-L239 HydrophobicContact CG1-CD1 4.01Å; V237-L239 HydrophobicContact CG1-CG 4.26Å
238D53.8Low53.6Low140 Ų140136.4 Ų136.475%0.74981%0.806SS**  trans-68.6125158.1-172.1-97.9000108.9
239L63.6Low54.5Low145 Ų145137.9 Ų137.976%0.75981%0.806SS**  trans-145.889.7164.3-95.8167.3000109.3V237V237-L239 HydrophobicContact CG1-CD1 4.01Å; V237-L239 HydrophobicContact CG1-CG 4.26Å
240S60.4Low54.6Low96 Ų96139 Ų13967%0.67181%0.807SS**  trans-3.6125.5145.957.20000117.1
241V58.3Low55.4Low149 Ų149141.5 Ų141.590%0.90381%0.811SS**  trans-127.4113.3153.494.30000109.6
242S52.7Low56.4Low109 Ų109143.3 Ų143.376%0.76281%0.809SS**  trans-155.5142.3158-107.30000105.1
243P68.8Low57.1Low199 Ų199147.4 Ų147.4100%1.29282%0.82SS**  -113.8065.4-0.422000114.6

Retrieved 243 of 243 residues in 95.3 ms (Link to these results)