A0A060YJ54_ONCMY Loading...

Heart- and neural crest derivatives-expressed protein 1

AlphaFold DB , UniProt , Accession A0A060YJ54, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110533287, Length 189 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
1M44.6Very low43.3Very low235 Ų235162.4 Ų162.4100%1.15883%0.829SS**  0109.10-71.2157.6166.200106.8
2N37.8Very low43.6Very low162 Ų162161.2 Ų161.287%0.86682%0.824SS**  trans-80130.8178.2-64.8-29.3000108.5
3L49.2Very low43.9Very low169 Ų169160.4 Ų160.489%0.88582%0.818SS**  trans-118.8115.8157.4-89100.9000109.1
4I47.7Very low43.8Very low166 Ų166161.3 Ų161.385%0.85182%0.817SS**  trans-70.3118.9179.7-143.983.9000107.7
5G44.4Very low43.6Very low80 Ų80161.1 Ų161.183%0.82581%0.812SS**  trans-99.3106.6168.400000108.3
6S46.4Very low43.9Very low72 Ų72156.9 Ų156.950%0.50380%0.797SS.*  trans-83155.9176.8179.10000111.5
7Y42.2Very low43.6Very low218 Ų218157.1 Ų157.186%0.85579%0.791SS**  trans79.2126.9168.6-40-74.1000114.5
8Q39.3Very low43.9Very low162 Ų162154.4 Ų154.476%0.75779%0.787SS**  cis-141.2138.929-67.6-126.531.200111.4H10Q8-H10 PolarHBondContact O-N 3.15Å; Q8-H10 VanDerWaalsContact O-N 3.15Å
9H38.9Very low43.8Very low193 Ų193155.2 Ų155.289%0.89478%0.784SS**  trans-69.9104.3158.7-92.4-124.9000107.8H11H9-H11 PolarHBondContact O-N 3Å
10H41Very low43.9Very low165 Ų165151.9 Ų151.976%0.76477%0.772SS**  trans-63.5106.9161.7-78.9-93.6000107.2Q8 L12Q8-H10 PolarHBondContact O-N 3.15Å; Q8-H10 VanDerWaalsContact O-N 3.15Å; H10-L12 VanDerWaalsContact C-N 3.27Å; H10-L12 PolarHBondContact O-N 3Å
11H44.4Very low44Very low164 Ų164150.5 Ų150.576%0.75976%0.763SS**  trans-57.397.5163.9-154.4-45.2000105.9H9 M13H9-H11 PolarHBondContact O-N 3Å; H11-M13 PolarHBondContact O-N 2.87Å
12L46.7Very low43.9Very low148 Ų148149.1 Ų149.178%0.77575%0.745SS**  trans-54.5116.8166-114.679.9000104.8H10 H14H10-L12 VanDerWaalsContact C-N 3.27Å; H10-L12 PolarHBondContact O-N 3Å; L12-H14 PolarHBondContact O-N 2.96Å
13M48.1Very low44.1Very low151 Ų151146.3 Ų146.374%0.74474%0.737SS**  trans-53.2113.6165.9-66.6-68.3159.700105.2H11 E15H11-M13 PolarHBondContact O-N 2.87Å; M13-E15 PolarHBondContact O-N 2.81Å
14H42.8Very low43.9Very low173 Ų173145.4 Ų145.480%0.80173%0.727SS**  trans-60.692.9164.9-124.7-120.1000104.6L12 T16L12-H14 PolarHBondContact O-N 2.96Å; H14-T16 PolarHBondContact O-N 3.19Å; H14-T16 PolarHBondContact O-OG1 2.76Å
15E40.5Very low44Very low159 Ų159144.9 Ų144.974%0.74372%0.721SS**  trans-58.194.8171.5-83.2-71127.100106.4M13 F17M13-E15 PolarHBondContact O-N 2.81Å; E15-F17 PolarHBondContact O-N 3.27Å
16T48.6Very low44.2Very low93 Ų93148 Ų14857%0.57172%0.719SS**  trans-72.5104.3177.8-58.10000104.9H14 P18H14-T16 PolarHBondContact O-N 3.19Å; H14-T16 PolarHBondContact O-OG1 2.76Å; T16-P18 VanDerWaalsContact O-N 3.16Å
17F38.3Very low44.3Very low160 Ų160148.2 Ų148.270%0.70272%0.715SS**  trans-41.8123.1175.8-80.2-92.7000110.2E15 F19 V20E15-F17 PolarHBondContact O-N 3.27Å; F17-F19 HydrophobicContact CB-CB 4.34Å; F17-F19 PolarHBondContact O-N 3.36Å; F17-V20 PolarHBondContact O-N 2.7Å
18P49Very low44.8Very low109 Ų109143.4 Ų143.471%0.70871%0.71SS**Hα-helixtrans-63.1-9.3178.624.8-32.8000112.7T16T16-P18 VanDerWaalsContact O-N 3.16Å
19F42.3Very low45.5Very low170 Ų170144.4 Ų144.475%0.74671%0.708SS**Hα-helixtrans-63.4-35.1176.4-170.4-103.5000113.7F17F17-F19 HydrophobicContact CB-CB 4.34Å; F17-F19 PolarHBondContact O-N 3.36Å
20V46.4Very low45.8Very low88 Ų88142.5 Ų142.553%0.53370%0.697SS.*Hα-helixtrans-81.3-29-174.3-172.60000111.7F17F17-V20 PolarHBondContact O-N 2.7Å
21Q45.2Very low46Very low124 Ų124140.7 Ų140.758%0.57969%0.69SS**Hα-helixtrans-81.2-25-170.6-146150.8-25.500113.1
22R42.3Very low46.4Very low206 Ų206136 Ų13678%0.77768%0.675SS**Hα-helixtrans-75.4-30.6179.4-157.576.2-174.2-160.23.1113.2H24R22-H24 VanDerWaalsContact C-N 3.32Å
23C42.6Very low46.6Very low103 Ų103140.3 Ų140.370%0.69668%0.681SS**Hα-helixtrans-77.1-18.4177.3-82.60000113.5
24H45.8Very low47.1Very low149 Ų149138.7 Ų138.769%0.6968%0.679SS**SBendtrans-90.9-12.6-170.7-123.9-77.3000114.7R22R22-H24 VanDerWaalsContact C-N 3.32Å
25Q48.1Very low47.5Very low155 Ų155134.1 Ų134.172%0.72466%0.663SS**SBendtrans-86.7-20.3-171.8-118.4162.737.700114.5
26D48.3Very low47.7Very low146 Ų146133.8 Ų133.878%0.78167%0.667SS**SBendtrans-109.516-170.5-76-38.8000115.3
27N49Very low47.8Very low77 Ų77136 Ų13641%0.41267%0.67SS.*  trans-13979.6-170.7-144.54.4000116.8Y29 F30N27-Y29 PolarHBondContact O-N 3.26Å; N27-Y29 VanDerWaalsContact O-N 3.12Å; N27-Y29 PolarHBondContact OD1-N 3.23Å; N27-F30 HydrophobicContact CB-CB 4.27Å; N27-F30 WeakPolarHBondContact ND2-CB 3.46Å; N27-F30 WeakPolarHBondContact ND2-CD2 3.27Å
28P53.6Low48.2Very low116 Ų116131 Ų13175%0.75366%0.663SS**THydrogen-bonded Turntrans-65.7-5.116427.7-32.8000113.3
29Y53.2Low48.2Very low184 Ų184134.7 Ų134.772%0.72267%0.672SS**THydrogen-bonded Turntrans-103.6-8-177.3-77.7-80.6000115.1N27 Q31 S32N27-Y29 PolarHBondContact O-N 3.26Å; N27-Y29 VanDerWaalsContact O-N 3.12Å; N27-Y29 PolarHBondContact OD1-N 3.23Å; Y29-Q31 VanDerWaalsContact C-N 3.26Å; Y29-Q31 PolarHBondContact O-N 3.43Å; Y29-S32 PolarHBondContact O-N 2.92Å
30F45.1Very low48.8Very low152 Ų152131.3 Ų131.367%0.66767%0.665SS**G310 helixtrans-69.2-26.6-179.6-149.8-104.5000112.6N27 S32N27-F30 HydrophobicContact CB-CB 4.27Å; N27-F30 WeakPolarHBondContact ND2-CB 3.46Å; N27-F30 WeakPolarHBondContact ND2-CD2 3.27Å; F30-S32 VanDerWaalsContact C-N 3.31Å; F30-S32 PolarHBondContact O-N 3.06Å
31Q46.1Very low48.9Very low128 Ų128131.3 Ų131.360%0.59867%0.666SS**G310 helixtrans-73.4-18.6179.4-67.6-71.3-1.800113.6Y29 W33 V35Y29-Q31 VanDerWaalsContact C-N 3.26Å; Y29-Q31 PolarHBondContact O-N 3.43Å; Q31-W33 PolarHBondContact O-N 3.01Å; Q31-V35 PolarHBondContact O-N 3.08Å
32S53.3Low49.2Very low64 Ų64131.3 Ų131.345%0.44868%0.677SS.*G310 helixtrans-80.4-14.5-171.7-177.70000114.3Y29 F30Y29-S32 PolarHBondContact O-N 2.92Å; F30-S32 VanDerWaalsContact C-N 3.31Å; F30-S32 PolarHBondContact O-N 3.06Å
33W51.3Low49.3Very low239 Ų239128.3 Ų128.391%0.90568%0.676SS**THydrogen-bonded Turntrans-106-8.4-178.9-138.560.4000114.3Q31Q31-W33 PolarHBondContact O-N 3.01Å
34V58.5Low49.3Very low117 Ų117132.1 Ų132.171%0.70968%0.682SS**THydrogen-bonded Turntrans-107.9-21.6178.1-178.20000111.5
35V50.1Low49.4Very low77 Ų77133 Ų13347%0.46769%0.686SS.*SBendtrans-103.2112.9178.5-175.80000109.7Q31 H37Q31-V35 PolarHBondContact O-N 3.08Å; V35-H37 PolarHBondContact O-N 3.31Å; V35-H37 VanDerWaalsContact O-N 3.15Å
36N44.7Very low49.4Very low152 Ų152133.1 Ų133.181%0.81369%0.69SS**  trans-53.9111.7165.8-144.4-8.9000107.8G38N36-G38 PolarHBondContact O-N 3.4Å
37H50.2Low48.9Very low140 Ų140134.2 Ų134.265%0.64869%0.69SS**  trans-73.969.2170.5-76.8-78.3000109.3V35V35-H37 PolarHBondContact O-N 3.31Å; V35-H37 VanDerWaalsContact O-N 3.15Å
38G48.4Very low48.3Very low54 Ų54134.9 Ų134.956%0.55770%0.701SS**  trans-113.5119.5156.200000106.1N36N36-G38 PolarHBondContact O-N 3.4Å
39E48.2Very low48Very low188 Ų188135.5 Ų135.588%0.87971%0.705SS**  trans79.179.3-177.6-52.2-81.213200114.8
40V53.8Low47.1Very low99 Ų99136 Ų13660%0.671%0.707SS**  trans-92.3116.6151.3-173.80000106.4
41P50.5Low46.7Very low87 Ų87134.1 Ų134.157%0.56571%0.713SS**  trans-59.1148.5174.1-20.431.3000111D43P41-D43 PolarHBondContact O-N 3.38Å
42P50.3Low46.6Very low124 Ų124133.6 Ų133.681%0.80572%0.719SS**THydrogen-bonded Turntrans-71.72.4-166.928.6-33.7000115.7
43D44.1Very low46.1Very low143 Ų143137.7 Ų137.777%0.76573%0.731SS**THydrogen-bonded Turntrans-103.910.1-170.3-76.4-20.2000116.1P41 Q45P41-D43 PolarHBondContact O-N 3.38Å; D43-Q45 PolarHBondContact O-N 3.47Å
44F43.4Very low45.4Very low184 Ų184135.9 Ų135.981%0.80773%0.729SS**  trans-8168.8169.8-97.7-91.1000111.5I46F44-I46 PolarHBondContact O-N 3.2Å
45Q47.2Very low44.3Very low166 Ų166134 Ų13478%0.77673%0.733SS**  trans-62.798.8160.7-79.8-172.7-84.400109.1D43 Q47D43-Q45 PolarHBondContact O-N 3.47Å; Q45-Q47 VanDerWaalsContact C-N 3.3Å; Q45-Q47 PolarHBondContact O-N 2.95Å
46I47.3Very low43.6Very low158 Ų158135.6 Ų135.681%0.8175%0.754SS**  trans-65.198158.4-65.1175.3000106.2F44 S48F44-I46 PolarHBondContact O-N 3.2Å; I46-S48 PolarHBondContact O-N 3.37Å; I46-S48 VanDerWaalsContact O-N 3.14Å
47Q38.8Very low43.3Very low170 Ų170138.1 Ų138.179%0.79476%0.761SS**  trans-63.1112.1172.8-70.7179.1-4.300108.9Q45Q45-Q47 VanDerWaalsContact C-N 3.3Å; Q45-Q47 PolarHBondContact O-N 2.95Å
48S36.9Very low42.4Very low91 Ų91135 Ų13564%0.63677%0.767SS**  trans-68.9127.7164.7176.20000108.7I46 Y50I46-S48 PolarHBondContact O-N 3.37Å; I46-S48 VanDerWaalsContact O-N 3.14Å; S48-Y50 PolarHBondContact O-N 2.91Å
49P46.4Very low42.3Very low129 Ų129138.6 Ų138.684%0.83878%0.781SS**SBendtrans-8267.6176.935.1-32.4000109.3
50Y35.5Very low41.8Very low194 Ų194134.4 Ų134.476%0.76178%0.778SS**  trans-16076.5158-155.8-98.7000109.9S48S48-Y50 PolarHBondContact O-N 2.91Å
51S36.6Very low41.3Very low112 Ų112138.5 Ų138.578%0.78379%0.791SS**  trans-122.296155.8-74.40000106.8
52T43.4Very low40.7Very low118 Ų118141 Ų14172%0.72480%0.799SS**  trans-99.794.4154.9-55.40000105.6
53E41.6Very low40.4Very low150 Ų150139.8 Ų139.870%0.70179%0.793SS**  trans-63.9130.9156.158.2-160.213600108.7
54F38.4Very low40.3Very low201 Ų201141 Ų14188%0.88280%0.795SS**  trans166.2110.8134.3-94.4-72.2000110.5
55G34.3Very low40.6Very low76 Ų76140 Ų14078%0.78480%0.797SS**  96.7119.9129.400000120.2
56A36.6Very low40.4Very low111 Ų111139.5 Ų139.592%0.91780%0.799SS**  trans100.7129.6140.500000119.8
57Q37.1Very low40.3Very low205 Ų205136.1 Ų136.196%0.95880%0.795SS**  trans-81.1150.1-174.5-65.4153.718.700112.4
58G31.5Very low40.6Very low74 Ų74133.4 Ų133.476%0.76379%0.792SS**  trans175.3129.5163.900000112.1
59P45.7Very low41.1Very low131 Ų131133 Ų13385%0.85179%0.79SS**  trans-97.6162.8-16937.5-33.1000114.8
60A39Very low41.2Very low100 Ų100131.7 Ų131.783%0.82679%0.789SS**  trans72.7103.9157.900000119.5
61H43.4Very low42Very low185 Ų185133 Ų13386%0.85679%0.793SS**  -148.3129.1124-155.2-92.9000110.5
62D38.1Very low42.8Very low139 Ų139134 Ų13474%0.74380%0.795SS**  trans-72127.5175-177.314.4000110.2
63S44.2Very low43.2Very low98 Ų98132 Ų13269%0.68580%0.797SS**  trans-174.796.1145.15.90000110.1
64Q42.1Very low43.8Very low170 Ų170135.1 Ų135.179%0.79481%0.808SS**  13.8113.7122.9-173.2150.5-65.500115.8
65L48.4Very low44.7Very low162 Ų162136.9 Ų136.985%0.84881%0.809SS**  -167.8104.6121-91.3-179.2000108.4A67L65-A67 PolarHBondContact O-N 3.17Å
66D42.3Very low45.9Very low155 Ų155144.6 Ų144.683%0.82981%0.814SS**  trans-59.4116.3168.2-169.312.1000109.7
67A47Very low46.7Very low87 Ų87142.2 Ų142.272%0.71979%0.794SS**  trans-147.795.8167.200000108.7L65 S69L65-A67 PolarHBondContact O-N 3.17Å; A67-S69 PolarHBondContact O-N 3.19Å
68P43.8Very low47.6Very low114 Ų114137 Ų13774%0.7478%0.781SS**  trans-69.1103.2174.427.1-31.1000108.7A70P68-A70 PolarHBondContact O-N 2.99Å
69S47.5Very low49.2Very low83 Ų83135.7 Ų135.758%0.5877%0.767SS**  trans10.487.3140.9-171.30000114A67 R71A67-S69 PolarHBondContact O-N 3.19Å; S69-R71 PolarHBondContact O-N 3.49Å; S69-R71 WeakPolarHBondContact OG-CD 3.37Å; S69-R71 VanDerWaalsContact OG-CG 3.3Å; S69-R71 WeakPolarHBondContact OG-CG 3.37Å
70A49.5Very low50.6Low100 Ų100134.1 Ų134.183%0.82676%0.757SS**  trans-71.759.8162.900000109.7P68 T72P68-A70 PolarHBondContact O-N 2.99Å; A70-T72 VanDerWaalsContact C-N 3.31Å; A70-T72 PolarHBondContact O-N 3.47Å
71R52.3Low52.6Low221 Ų221136.1 Ų136.183%0.83475%0.747SS**  trans-94.959.2165.5-70.7-176.1-166.2-149.64.3108.9S69S69-R71 PolarHBondContact O-N 3.49Å; S69-R71 WeakPolarHBondContact OG-CD 3.37Å; S69-R71 VanDerWaalsContact OG-CG 3.3Å; S69-R71 WeakPolarHBondContact OG-CG 3.37Å
72T52.1Low54.6Low135 Ų135134.7 Ų134.783%0.82874%0.738SS**  trans-136.7120.1172.248.90000109.6A70A70-T72 VanDerWaalsContact C-N 3.31Å; A70-T72 PolarHBondContact O-N 3.47Å
73G52.8Low57.1Low74 Ų74132.3 Ų132.376%0.76372%0.723SS**  trans129.313.9159.100000119.3
74K54.8Low59.5Low217 Ų217135.9 Ų135.994%0.94372%0.721SS**  trans-10851.4165.6-87.7164.9177.2169.90112.1
75R57.2Low62Low237 Ų237136.7 Ų136.789%0.89472%0.717SS**  trans-119.229.5172.5-69.5-171.172.5175.12.5113.8
76R57.9Low64.3Low239 Ų239135.9 Ų135.990%0.90270%0.702SS**SBendtrans-13228.7179.1-62.2-164.3-170.1-166.75.2115.8
77A53.2Low66.9Low60 Ų60131.1 Ų131.150%0.49668%0.679SS.*SBendtrans-118.91.6176.800000115.1K81A77-K81 WeakPolarHBondContact O-CD 3.33Å
78S57.2Low69.3Low97 Ų97130.9 Ų130.968%0.67866%0.663SS**Hα-helixtrans-81.8-25.3178.971.60000113.5K82S78-K82 VanDerWaalsContact O-CB 3.3Å; S78-K82 WeakPolarHBondContact O-CB 3.17Å; S78-K82 PolarHBondContact O-N 3.15Å; S78-K82 VanDerWaalsContact O-N 3.13Å
79G64.8Low71.8Confident45 Ų45129.3 Ų129.346%0.46466%0.655SS.*Hα-helixtrans-64-60.7-179.300000113.6K81 K82 E83G79-K81 VanDerWaalsContact C-N 3.27Å; G79-K81 PolarHBondContact O-N 3.13Å; G79-K82 PolarHBondContact O-N 2.76Å; G79-E83 PolarHBondContact O-N 3.26Å
80P75.3Confident74.2Confident98 Ų98128.3 Ų128.364%0.63664%0.642SS**Hα-helixtrans-62.9-32.2-177.3-2434.2000113.7R84P80-R84 WeakPolarHBondContact O-CB 3.28Å; P80-R84 PolarHBondContact O-N 3.48Å
81K80.8Confident76.5Confident143 Ų143127 Ų12762%0.62262%0.621SS**Hα-helixtrans-70.9-38.6177.8-69.7-179.7179.8177.70112.1A77 G79 R85A77-K81 WeakPolarHBondContact O-CD 3.33Å; G79-K81 VanDerWaalsContact C-N 3.27Å; G79-K81 PolarHBondContact O-N 3.13Å; K81-R85 WeakPolarHBondContact O-CG 3.46Å; K81-R85 PolarHBondContact O-N 3.32Å
82K84.5Confident78.7Confident154 Ų154120 Ų12067%0.6760%0.604SS**Hα-helixtrans-68.1-46178.8-176.1177.2176.7-178.90111.5S78 G79 R84 R85 R86S78-K82 VanDerWaalsContact O-CB 3.3Å; S78-K82 WeakPolarHBondContact O-CB 3.17Å; S78-K82 PolarHBondContact O-N 3.15Å; S78-K82 VanDerWaalsContact O-N 3.13Å; G79-K82 PolarHBondContact O-N 2.76Å; K82-R84 VanDerWaalsContact C-N 3.31Å; K82-R84 PolarHBondContact O-N 3.49Å; K82-R85 PolarHBondContact O-N 2.97Å; K82-R86 PolarHBondContact O-N 3.03Å
83E91.1Very high80.8Confident90 Ų90116.1 Ų116.142%0.42159%0.585SS.*Hα-helixtrans-66.6-35.6-178.8-172.455.3-151.700112.4G79 R86 T87G79-E83 PolarHBondContact O-N 3.26Å; E83-R86 PolarHBondContact O-N 3.38Å; E83-R86 IonicContact OE1-CZ 3.93Å; E83-R86 IonicContact OE1-NH1 3.25Å; E83-R86 PolarHBondContact OE1-NH1 3.34Å; E83-R86 IonicContact OE2-NH1 3.72Å; E83-T87 WeakPolarHBondContact O-CB 3.11Å; E83-T87 PolarHBondContact O-N 3.3Å; E83-T87 PolarHBondContact O-OG1 2.96Å
84R95.3Very high83Confident172 Ų172114.2 Ų114.265%0.64956%0.555SS**Hα-helixtrans-59.8-50171.9-179.7173.7176.4147.82111.7P80 K82 R86 T87 E88P80-R84 WeakPolarHBondContact O-CB 3.28Å; P80-R84 PolarHBondContact O-N 3.48Å; K82-R84 VanDerWaalsContact C-N 3.31Å; K82-R84 PolarHBondContact O-N 3.49Å; R84-R86 VanDerWaalsContact C-N 3.32Å; R84-R86 PolarHBondContact O-N 3.37Å; R84-T87 PolarHBondContact O-N 3.33Å; R84-T87 VanDerWaalsContact O-N 3.14Å; R84-E88 HydrophobicContact CG-CG 4.38Å; R84-E88 VanDerWaalsContact CG-OE1 3.26Å; R84-E88 WeakPolarHBondContact CG-OE1 3.47Å; R84-E88 IonicContact CZ-OE1 2.7Å; R84-E88 IonicContact NE-OE1 3.83Å; R84-E88 PolarHBondContact NE-OE1 2.97Å; R84-E88 IonicContact NH2-OE1 3.75Å; R84-E88 WeakPolarHBondContact O-CB 3.5Å; R84-E88 WeakPolarHBondContact O-CG 3.31Å; R84-E88 PolarHBondContact O-N 3.22Å
85R93.9Very high84.9Confident188 Ų188105.9 Ų105.971%0.70953%0.527SS*.Hα-helixtrans-59.9-41.2177.4-73.3-178.1178.9-147.1-0.6112.5K81 K82 T87 E88 S89K81-R85 WeakPolarHBondContact O-CG 3.46Å; K81-R85 PolarHBondContact O-N 3.32Å; K82-R85 PolarHBondContact O-N 2.97Å; R85-T87 VanDerWaalsContact C-N 3.34Å; R85-T87 PolarHBondContact O-N 3.11Å; R85-E88 PolarHBondContact O-N 2.96Å; R85-S89 WeakPolarHBondContact O-CB 3.37Å; R85-S89 PolarHBondContact O-N 3.41Å
86R96.3Very high86.7Confident145 Ų145100 Ų10055%0.54751%0.509SS..Hα-helixtrans-58.9-47.2174.2177.8-176.2168.5-99.1-3.6111.1K82 E83 R84 S89 I90K82-R86 PolarHBondContact O-N 3.03Å; E83-R86 PolarHBondContact O-N 3.38Å; E83-R86 IonicContact OE1-CZ 3.93Å; E83-R86 IonicContact OE1-NH1 3.25Å; E83-R86 PolarHBondContact OE1-NH1 3.34Å; E83-R86 IonicContact OE2-NH1 3.72Å; R84-R86 VanDerWaalsContact C-N 3.32Å; R84-R86 PolarHBondContact O-N 3.37Å; R86-S89 PolarHBondContact O-N 2.96Å; R86-I90 HydrophobicContact CG-CD1 4.17Å; R86-I90 WeakPolarHBondContact O-CG1 3.37Å; R86-I90 PolarHBondContact O-N 3.09Å
87T97Very high88.6Confident55 Ų5591.3 Ų91.334%0.33748%0.481SS..Hα-helixtrans-65.9-40.5179.5-59.60000112E83 R84 R85 I90 N91E83-T87 WeakPolarHBondContact O-CB 3.11Å; E83-T87 PolarHBondContact O-N 3.3Å; E83-T87 PolarHBondContact O-OG1 2.96Å; R84-T87 PolarHBondContact O-N 3.33Å; R84-T87 VanDerWaalsContact O-N 3.14Å; R85-T87 VanDerWaalsContact C-N 3.34Å; R85-T87 PolarHBondContact O-N 3.11Å; T87-I90 PolarHBondContact O-N 2.86Å; T87-N91 WeakPolarHBondContact O-CB 3.37Å; T87-N91 PolarHBondContact O-N 3.48Å; T87-N91 PolarHBondContact O-ND2 3.11Å
88E97.4Very high90.6Very high82 Ų8291.8 Ų91.838%0.38347%0.47SS..Hα-helixtrans-59-49.1174.1-74.3166.4178.700110.6R84 R85 I90 N91 T92R84-E88 HydrophobicContact CG-CG 4.38Å; R84-E88 VanDerWaalsContact CG-OE1 3.26Å; R84-E88 WeakPolarHBondContact CG-OE1 3.47Å; R84-E88 IonicContact CZ-OE1 2.7Å; R84-E88 IonicContact NE-OE1 3.83Å; R84-E88 PolarHBondContact NE-OE1 2.97Å; R84-E88 IonicContact NH2-OE1 3.75Å; R84-E88 WeakPolarHBondContact O-CB 3.5Å; R84-E88 WeakPolarHBondContact O-CG 3.31Å; R84-E88 PolarHBondContact O-N 3.22Å; R85-E88 PolarHBondContact O-N 2.96Å; E88-I90 PolarHBondContact O-N 2.87Å; E88-N91 PolarHBondContact O-N 3.23Å; E88-N91 VanDerWaalsContact O-N 3.08Å; E88-T92 PolarHBondContact O-N 3.07Å; E88-T92 PolarHBondContact O-OG1 3.43Å
89S98Very high92.4Very high81 Ų8195 Ų9557%0.56647%0.474SS*.Hα-helixtrans-56.6-44.4175.7174.50000112.9R85 R86 N91 T92 A93R85-S89 WeakPolarHBondContact O-CB 3.37Å; R85-S89 PolarHBondContact O-N 3.41Å; R86-S89 PolarHBondContact O-N 2.96Å; S89-N91 VanDerWaalsContact C-N 3.35Å; S89-N91 PolarHBondContact O-N 3.09Å; S89-T92 PolarHBondContact O-N 3.45Å; S89-A93 PolarHBondContact O-N 2.94Å; S89-A93 VanDerWaalsContact O-N 3.09Å
90I97.8Very high93.8Very high62 Ų6296.6 Ų96.632%0.31848%0.477SS..Hα-helixtrans-62.9-41.7175.4-67.7165.5000111.3R86 T87 E88 A93 F94R86-I90 HydrophobicContact CG-CD1 4.17Å; R86-I90 WeakPolarHBondContact O-CG1 3.37Å; R86-I90 PolarHBondContact O-N 3.09Å; T87-I90 PolarHBondContact O-N 2.86Å; E88-I90 PolarHBondContact O-N 2.87Å; I90-A93 PolarHBondContact O-N 2.81Å; I90-F94 HydrophobicContact CG2-CD2 3.97Å; I90-F94 HydrophobicContact CG2-CE2 4.26Å; I90-F94 PolarHBondContact O-N 3.09Å
91N97.2Very high94.7Very high71 Ų7192.3 Ų92.338%0.3845%0.449SS..Hα-helixtrans-68.6-36.3-178.7-70.7-27.7000112T87 E88 S89 F94 A95T87-N91 WeakPolarHBondContact O-CB 3.37Å; T87-N91 PolarHBondContact O-N 3.48Å; T87-N91 PolarHBondContact O-ND2 3.11Å; E88-N91 PolarHBondContact O-N 3.23Å; E88-N91 VanDerWaalsContact O-N 3.08Å; S89-N91 VanDerWaalsContact C-N 3.35Å; S89-N91 PolarHBondContact O-N 3.09Å; N91-F94 WeakPolarHBondContact O-CB 3.47Å; N91-F94 PolarHBondContact O-N 3.44Å; N91-A95 PolarHBondContact O-N 2.89Å
92T97.4Very high95.4Very high76 Ų7687.2 Ų87.247%0.46643%0.431SS..Hα-helixtrans-61.4-50.6172.3-58.60000110.9E88 S89 F94 A95 E96E88-T92 PolarHBondContact O-N 3.07Å; E88-T92 PolarHBondContact O-OG1 3.43Å; S89-T92 PolarHBondContact O-N 3.45Å; T92-F94 PolarHBondContact O-N 3.14Å; T92-A95 WeakPolarHBondContact O-CA 3.45Å; T92-A95 WeakPolarHBondContact O-CB 3.22Å; T92-A95 PolarHBondContact O-N 3.01Å; T92-E96 PolarHBondContact O-N 2.86Å
93A97.8Very high95.6Very high52 Ų5285.7 Ų85.743%0.4343%0.43SS..Hα-helixtrans-59-35.7176.200000112.5S89 I90 A95 L97S89-A93 PolarHBondContact O-N 2.94Å; S89-A93 VanDerWaalsContact O-N 3.09Å; I90-A93 PolarHBondContact O-N 2.81Å; A93-A95 VanDerWaalsContact C-N 3.33Å; A93-L97 WeakPolarHBondContact O-CB 3.43Å; A93-L97 PolarHBondContact O-N 3.03Å
94F97.6Very high95.4Very high34 Ų3482.6 Ų82.615%0.14942%0.417CS..Hα-helixtrans-66.8-31.9172.7-104.4-79.5000113I90 N91 T92 R98 K112 T115 L116I90-F94 HydrophobicContact CG2-CD2 3.97Å; I90-F94 HydrophobicContact CG2-CE2 4.26Å; I90-F94 PolarHBondContact O-N 3.09Å; N91-F94 WeakPolarHBondContact O-CB 3.47Å; N91-F94 PolarHBondContact O-N 3.44Å; T92-F94 PolarHBondContact O-N 3.14Å; F94-R98 WeakPolarHBondContact O-CG 3.39Å; F94-R98 PolarHBondContact O-N 3.5Å; F94-R98 PolarHBondContact O-NH1 2.91Å; F94-K112 HydrophobicContact CD1-CB 4.49Å; F94-K112 HydrophobicContact CD1-CG 4.2Å; F94-K112 HydrophobicContact CE1-CB 3.75Å; F94-K112 HydrophobicContact CE1-CG 3.88Å; F94-K112 HydrophobicContact CE2-CD 4.28Å; F94-K112 HydrophobicContact CE2-CG 4.36Å; F94-K112 HydrophobicContact CZ-CB 3.87Å; F94-K112 HydrophobicContact CZ-CD 4.25Å; F94-K112 HydrophobicContact CZ-CG 3.96Å; F94-T115 HydrophobicContact CD1-CG2 4.14Å; F94-T115 HydrophobicContact CE1-CG2 4.39Å; F94-L116 HydrophobicContact CE1-CD2 4.3Å; F94-L116 HydrophobicContact CE1-CG 4.17Å; F94-L116 HydrophobicContact CZ-CD1 4.31Å; F94-L116 HydrophobicContact CZ-CD2 4.18Å; F94-L116 HydrophobicContact CZ-CG 4.17Å
95A95Very high94.9Very high42 Ų4277.7 Ų77.735%0.34741%0.408SS..Hα-helixtrans-69.1-48.417600000110.3N91 T92 A93 L97 R98 E99N91-A95 PolarHBondContact O-N 2.89Å; T92-A95 WeakPolarHBondContact O-CA 3.45Å; T92-A95 WeakPolarHBondContact O-CB 3.22Å; T92-A95 PolarHBondContact O-N 3.01Å; A93-A95 VanDerWaalsContact C-N 3.33Å; A95-L97 VanDerWaalsContact C-N 3.3Å; A95-L97 PolarHBondContact O-N 3.23Å; A95-R98 WeakPolarHBondContact O-CB 3.36Å; A95-R98 PolarHBondContact O-N 3.34Å; A95-E99 PolarHBondContact O-N 2.99Å
96E95.6Very high94.2Very high113 Ų11374.3 Ų74.353%0.52842%0.419SS..Hα-helixtrans-56.1-44.3174.5-66169.4-173.800111.4T92 R98 E99 C100T92-E96 PolarHBondContact O-N 2.86Å; E96-R98 PolarHBondContact O-N 3.21Å; E96-E99 WeakPolarHBondContact O-CB 3.38Å; E96-E99 PolarHBondContact O-N 3.38Å; E96-E99 VanDerWaalsContact O-N 3.11Å; E96-C100 PolarHBondContact O-N 2.94Å; E96-C100 PolarHBondContact O-SG 3.44Å
97L96.9Very high93.6Very high57 Ų5773.8 Ų73.830%0.29843%0.428SS..Hα-helixtrans-60.4-31.5176.2-177.360.1000113.1A93 A95 C100 T115 L116 A119A93-L97 WeakPolarHBondContact O-CB 3.43Å; A93-L97 PolarHBondContact O-N 3.03Å; A95-L97 VanDerWaalsContact C-N 3.3Å; A95-L97 PolarHBondContact O-N 3.23Å; L97-C100 PolarHBondContact O-N 3.44Å; L97-T115 HydrophobicContact CB-CG2 4.29Å; L97-T115 HydrophobicContact CD2-CG2 3.8Å; L97-T115 HydrophobicContact CG-CG2 3.82Å; L97-L116 HydrophobicContact CD2-CD2 4.31Å; L97-A119 HydrophobicContact CD1-CB 3.89Å; L97-A119 HydrophobicContact CD2-CB 4.39Å; L97-A119 HydrophobicContact CG-CB 4.34Å
98R95.8Very high93.2Very high70 Ų7073.4 Ų73.426%0.26443%0.425SS..Hα-helixtrans-71.2-35.7177.1-71.3176.5-167.894.5-5.2111.9F94 A95 E96 C100 I101 L110 T115F94-R98 WeakPolarHBondContact O-CG 3.39Å; F94-R98 PolarHBondContact O-N 3.5Å; F94-R98 PolarHBondContact O-NH1 2.91Å; A95-R98 WeakPolarHBondContact O-CB 3.36Å; A95-R98 PolarHBondContact O-N 3.34Å; E96-R98 PolarHBondContact O-N 3.21Å; R98-C100 PolarHBondContact O-N 3.48Å; R98-I101 PolarHBondContact O-N 3.4Å; R98-I101 VanDerWaalsContact O-N 3.09Å; R98-L110 HydrophobicContact CG-CB 4.37Å; R98-L110 HydrophobicContact CG-CD1 4.43Å; R98-L110 PolarHBondContact NE-O 3.11Å; R98-L110 PolarHBondContact NH2-O 2.77Å; R98-L110 VanDerWaalsContact NH2-O 3.11Å; R98-T115 HydrophobicContact CG-CG2 3.7Å
99E94.4Very high92.7Very high165 Ų16579.1 Ų79.177%0.77145%0.449SS*.Hα-helixtrans-64.6-27178.1-64.3177.1179.400111.7A95 E96 I101A95-E99 PolarHBondContact O-N 2.99Å; E96-E99 WeakPolarHBondContact O-CB 3.38Å; E96-E99 PolarHBondContact O-N 3.38Å; E96-E99 VanDerWaalsContact O-N 3.11Å; E99-I101 VanDerWaalsContact C-N 3.31Å; E99-I101 PolarHBondContact O-N 3Å
100C95Very high92.4Very high79 Ų7975.6 Ų75.653%0.53442%0.424SS..THydrogen-bonded Turntrans-76.2-10.7174.5-59.30000114.5E96 L97 R98 P102 Y122E96-C100 PolarHBondContact O-N 2.94Å; E96-C100 PolarHBondContact O-SG 3.44Å; L97-C100 PolarHBondContact O-N 3.44Å; R98-C100 PolarHBondContact O-N 3.48Å; C100-P102 WeakPolarHBondContact O-CD 3.33Å; C100-Y122 WeakPolarHBondContact O-CE1 3.32Å
101I95Very high92.2Very high7 Ų775.5 Ų75.54%0.03643%0.428CS..SBendtrans-88.3115-178.3-59.3168.9000109R98 E99 V104 L110 T115 L118 F140R98-I101 PolarHBondContact O-N 3.4Å; R98-I101 VanDerWaalsContact O-N 3.09Å; E99-I101 VanDerWaalsContact C-N 3.31Å; E99-I101 PolarHBondContact O-N 3Å; I101-V104 HydrophobicContact CB-CG2 4.27Å; I101-V104 HydrophobicContact CG2-CG2 3.56Å; I101-L110 HydrophobicContact CD1-CD1 3.74Å; I101-T115 HydrophobicContact CD1-CG2 3.93Å; I101-L118 HydrophobicContact CD1-CB 3.85Å; I101-L118 HydrophobicContact CD1-CD1 4.49Å; I101-L118 HydrophobicContact CG1-CB 4.43Å; I101-L118 HydrophobicContact CG2-CB 4.01Å; I101-L118 HydrophobicContact CG2-CD1 4.28Å; I101-F140 HydrophobicContact CG2-CE1 4.32Å
102P93.7Very high92.1Very high37 Ų3777.1 Ų77.124%0.2443%0.432CS..THydrogen-bonded Turntrans-74160.5-178.229-31.9000112C100 V104 Y122 F140C100-P102 WeakPolarHBondContact O-CD 3.33Å; P102-V104 PolarHBondContact O-N 3.39Å; P102-V104 VanDerWaalsContact O-N 3.15Å; P102-Y122 HydrophobicContact CG-CD2 3.78Å; P102-Y122 HydrophobicContact CG-CE1 4.27Å; P102-Y122 HydrophobicContact CG-CE2 3.51Å; P102-Y122 HydrophobicContact CG-CG 4.32Å; P102-F140 HydrophobicContact CG-CB 4.38Å; P102-F140 HydrophobicContact CG-CD1 3.58Å; P102-F140 HydrophobicContact CG-CE1 4.13Å; P102-F140 HydrophobicContact CG-CG 4.2Å
103N88.8Confident92.1Very high121 Ų12178 Ų7865%0.64743%0.433SS*.THydrogen-bonded Turntrans59.821.6177.5-57.7-35.8000114.5F140N103-F140 PolarHBondContact ND2-O 3.13Å
104V87.2Confident91.9Very high26 Ų2677.7 Ų77.716%0.15842%0.422CS..SBendtrans-110121.8169.6-1790000107.8I101 P102 A106 T108 L110 A142 I144I101-V104 HydrophobicContact CB-CG2 4.27Å; I101-V104 HydrophobicContact CG2-CG2 3.56Å; P102-V104 PolarHBondContact O-N 3.39Å; P102-V104 VanDerWaalsContact O-N 3.15Å; V104-A106 PolarHBondContact O-N 3.33Å; V104-T108 HydrophobicContact CG1-CG2 4.07Å; V104-L110 HydrophobicContact CG1-CD1 3.98Å; V104-L110 HydrophobicContact CG1-CD2 4.42Å; V104-L110 HydrophobicContact CG1-CG 4.13Å; V104-L110 HydrophobicContact CG2-CD1 4.25Å; V104-A142 HydrophobicContact CG2-CB 3.76Å; V104-I144 HydrophobicContact CG1-CD1 4.1Å; V104-I144 HydrophobicContact CG2-CD1 4.11Å
105P85.7Confident91.8Very high69 Ų6976 Ų7645%0.44842%0.415SS..  trans-57.3139.3174.5-23.933.3000111.3D107 T108P105-D107 WeakPolarHBondContact CB-OD1 3.42Å; P105-D107 PolarHBondContact O-N 3.48Å; P105-D107 VanDerWaalsContact O-N 3.11Å; P105-T108 WeakPolarHBondContact CB-OG1 3.43Å; P105-T108 VanDerWaalsContact O-CB 3.22Å; P105-T108 WeakPolarHBondContact O-CB 3.48Å; P105-T108 PolarHBondContact O-N 2.93Å; P105-T108 PolarHBondContact O-OG1 2.88Å
106A78.5Confident91.9Very high116 Ų11678 Ų7896%0.95942%0.419SS*.THydrogen-bonded Turntrans-61.2-24.1-174.100000113.9V104V104-A106 PolarHBondContact O-N 3.33Å
107D82.8Confident91.9Very high135 Ų13580.2 Ų80.272%0.72242%0.422SS*.THydrogen-bonded Turntrans-83.3-10.4175.663.9-37.1000113.4P105 K109P105-D107 WeakPolarHBondContact CB-OD1 3.42Å; P105-D107 PolarHBondContact O-N 3.48Å; P105-D107 VanDerWaalsContact O-N 3.11Å; D107-K109 PolarHBondContact O-N 3.02Å
108T88.7Confident91.9Very high46 Ų4678.1 Ų78.128%0.28241%0.412SS..  trans-74.9113-178.8-630000111.5V104 P105 L110 I144V104-T108 HydrophobicContact CG1-CG2 4.07Å; P105-T108 WeakPolarHBondContact CB-OG1 3.43Å; P105-T108 VanDerWaalsContact O-CB 3.22Å; P105-T108 WeakPolarHBondContact O-CB 3.48Å; P105-T108 PolarHBondContact O-N 2.93Å; P105-T108 PolarHBondContact O-OG1 2.88Å; T108-L110 HydrophobicContact CG2-CD2 4.32Å; T108-L110 PolarHBondContact O-N 3.32Å; T108-I144 HydrophobicContact CG2-CD1 4.08Å
109K87.9Confident91.9Very high202 Ų20275.5 Ų75.588%0.87840%0.404SS*.  trans-78.793.3176.3-65.4-172.6-179.71790111.7D107D107-K109 PolarHBondContact O-N 3.02Å
110L90.9Very high92.1Very high8 Ų872.2 Ų72.24%0.04240%0.396CS..  trans-71.4133.1169.2-63.8176.1000111.6R98 I101 V104 T108 K114 T115 L118 I144R98-L110 HydrophobicContact CG-CB 4.37Å; R98-L110 HydrophobicContact CG-CD1 4.43Å; R98-L110 PolarHBondContact NE-O 3.11Å; R98-L110 PolarHBondContact NH2-O 2.77Å; R98-L110 VanDerWaalsContact NH2-O 3.11Å; I101-L110 HydrophobicContact CD1-CD1 3.74Å; V104-L110 HydrophobicContact CG1-CD1 3.98Å; V104-L110 HydrophobicContact CG1-CD2 4.42Å; V104-L110 HydrophobicContact CG1-CG 4.13Å; V104-L110 HydrophobicContact CG2-CD1 4.25Å; T108-L110 HydrophobicContact CG2-CD2 4.32Å; T108-L110 PolarHBondContact O-N 3.32Å; L110-K114 HydrophobicContact CD2-CB 4.46Å; L110-T115 WeakPolarHBondContact CB-OG1 3.32Å; L110-L118 HydrophobicContact CD1-CD1 3.77Å; L110-L118 HydrophobicContact CD2-CD1 3.97Å; L110-I144 HydrophobicContact CD2-CD1 4.3Å; L110-I144 HydrophobicContact CD2-CG2 4.35Å
111S95Very high92.1Very high59 Ų5971.6 Ų71.641%0.41339%0.393SS..  trans-64.8160.2170.373.10000111.1I113 K114 T115S111-I113 VanDerWaalsContact C-N 3.31Å; S111-I113 PolarHBondContact O-N 3.22Å; S111-I113 WeakPolarHBondContact OG-CG2 3.38Å; S111-K114 PolarHBondContact O-N 3.25Å; S111-K114 WeakPolarHBondContact OG-CB 3.32Å; S111-K114 WeakPolarHBondContact OG-CG 3.42Å; S111-K114 PolarHBondContact OG-N 2.84Å; S111-T115 WeakPolarHBondContact O-CB 3.35Å; S111-T115 PolarHBondContact O-N 3.12Å; S111-T115 PolarHBondContact O-OG1 3.39Å
112K95.3Very high92.2Very high105 Ų10574.2 Ų74.246%0.45740%0.402SS..Hα-helixtrans-55.3-46.4179.3-67.8-175.2176.8-176.10111.7F94 K114 T115 L116F94-K112 HydrophobicContact CD1-CB 4.49Å; F94-K112 HydrophobicContact CD1-CG 4.2Å; F94-K112 HydrophobicContact CE1-CB 3.75Å; F94-K112 HydrophobicContact CE1-CG 3.88Å; F94-K112 HydrophobicContact CE2-CD 4.28Å; F94-K112 HydrophobicContact CE2-CG 4.36Å; F94-K112 HydrophobicContact CZ-CB 3.87Å; F94-K112 HydrophobicContact CZ-CD 4.25Å; F94-K112 HydrophobicContact CZ-CG 3.96Å; K112-K114 PolarHBondContact O-N 2.86Å; K112-T115 PolarHBondContact O-N 2.94Å; K112-L116 WeakPolarHBondContact O-CG 3.38Å; K112-L116 PolarHBondContact O-N 3.05Å
113I96Very high92.3Very high96 Ų9677.4 Ų77.449%0.49242%0.416SS..Hα-helixtrans-65.4-40.1178.9-171.661.6000112.6S111 L116 R117S111-I113 VanDerWaalsContact C-N 3.31Å; S111-I113 PolarHBondContact O-N 3.22Å; S111-I113 WeakPolarHBondContact OG-CG2 3.38Å; I113-L116 PolarHBondContact O-N 3.38Å; I113-R117 WeakPolarHBondContact O-CG 3.47Å; I113-R117 PolarHBondContact O-N 3.35Å
114K94.1Very high92.6Very high44 Ų4473.9 Ų73.919%0.19140%0.404CS..Hα-helixtrans-66.4-42.8177.4-80.5-76.8-167.2167.10111.2L110 S111 K112 L116 R117 L118 K145L110-K114 HydrophobicContact CD2-CB 4.46Å; S111-K114 PolarHBondContact O-N 3.25Å; S111-K114 WeakPolarHBondContact OG-CB 3.32Å; S111-K114 WeakPolarHBondContact OG-CG 3.42Å; S111-K114 PolarHBondContact OG-N 2.84Å; K112-K114 PolarHBondContact O-N 2.86Å; K114-L116 PolarHBondContact O-N 3.07Å; K114-R117 PolarHBondContact O-N 3.04Å; K114-L118 WeakPolarHBondContact O-CB 3.46Å; K114-L118 WeakPolarHBondContact O-CG 3.4Å; K114-L118 PolarHBondContact O-N 2.75Å; K114-K145 PolarHBondContact NZ-O 3.26Å
115T95.9Very high93Very high0 Ų075.3 Ų75.30%041%0.407CS..Hα-helixtrans-57.5-49.5176.7-50.90000110.5F94 L97 R98 I101 L110 S111 K112 R117 L118 A119F94-T115 HydrophobicContact CD1-CG2 4.14Å; F94-T115 HydrophobicContact CE1-CG2 4.39Å; L97-T115 HydrophobicContact CB-CG2 4.29Å; L97-T115 HydrophobicContact CD2-CG2 3.8Å; L97-T115 HydrophobicContact CG-CG2 3.82Å; R98-T115 HydrophobicContact CG-CG2 3.7Å; I101-T115 HydrophobicContact CD1-CG2 3.93Å; L110-T115 WeakPolarHBondContact CB-OG1 3.32Å; S111-T115 WeakPolarHBondContact O-CB 3.35Å; S111-T115 PolarHBondContact O-N 3.12Å; S111-T115 PolarHBondContact O-OG1 3.39Å; K112-T115 PolarHBondContact O-N 2.94Å; T115-R117 PolarHBondContact O-N 3.39Å; T115-L118 PolarHBondContact O-N 3.5Å; T115-A119 WeakPolarHBondContact O-CB 3.26Å; T115-A119 PolarHBondContact O-N 3.41Å
116L97.3Very high93.4Very high84 Ų8475.2 Ų75.244%0.4440%0.403SS..Hα-helixtrans-61.6-46178.8-67.4175.2000112.2F94 L97 K112 I113 K114 A119 T120F94-L116 HydrophobicContact CE1-CD2 4.3Å; F94-L116 HydrophobicContact CE1-CG 4.17Å; F94-L116 HydrophobicContact CZ-CD1 4.31Å; F94-L116 HydrophobicContact CZ-CD2 4.18Å; F94-L116 HydrophobicContact CZ-CG 4.17Å; L97-L116 HydrophobicContact CD2-CD2 4.31Å; K112-L116 WeakPolarHBondContact O-CG 3.38Å; K112-L116 PolarHBondContact O-N 3.05Å; I113-L116 PolarHBondContact O-N 3.38Å; K114-L116 PolarHBondContact O-N 3.07Å; L116-A119 PolarHBondContact O-N 2.79Å; L116-T120 PolarHBondContact O-N 2.94Å; L116-T120 PolarHBondContact O-OG1 3.34Å; L116-T120 VanDerWaalsContact O-OG1 3.08Å
117R95.4Very high94.2Very high158 Ų15875.7 Ų75.760%0.59639%0.386SS*.Hα-helixtrans-61.1-47.8178.9-74177.2176.7-174.6-0.6112.2I113 K114 T115 T120 S121I113-R117 WeakPolarHBondContact O-CG 3.47Å; I113-R117 PolarHBondContact O-N 3.35Å; K114-R117 PolarHBondContact O-N 3.04Å; T115-R117 PolarHBondContact O-N 3.39Å; R117-T120 PolarHBondContact O-N 3.08Å; R117-S121 PolarHBondContact O-N 3.04Å; R117-S121 PolarHBondContact O-OG 3.47Å
118L95.9Very high94.6Very high14 Ų1473.9 Ų73.97%0.07338%0.377CS..Hα-helixtrans-65.3-40.8-179.8-72.6173000111.7I101 L110 K114 T115 S121 Y122 A142I101-L118 HydrophobicContact CD1-CB 3.85Å; I101-L118 HydrophobicContact CD1-CD1 4.49Å; I101-L118 HydrophobicContact CG1-CB 4.43Å; I101-L118 HydrophobicContact CG2-CB 4.01Å; I101-L118 HydrophobicContact CG2-CD1 4.28Å; L110-L118 HydrophobicContact CD1-CD1 3.77Å; L110-L118 HydrophobicContact CD2-CD1 3.97Å; K114-L118 WeakPolarHBondContact O-CB 3.46Å; K114-L118 WeakPolarHBondContact O-CG 3.4Å; K114-L118 PolarHBondContact O-N 2.75Å; T115-L118 PolarHBondContact O-N 3.5Å; L118-S121 PolarHBondContact O-N 3.5Å; L118-Y122 WeakPolarHBondContact O-CB 3.47Å; L118-Y122 PolarHBondContact O-N 3.06Å; L118-A142 HydrophobicContact CD2-CB 4.23Å
119A97.2Very high94.7Very high14 Ų1474 Ų7412%0.11638%0.377CS..Hα-helixtrans-61-44.8175.200000112L97 T115 L116 S121 Y122 I123L97-A119 HydrophobicContact CD1-CB 3.89Å; L97-A119 HydrophobicContact CD2-CB 4.39Å; L97-A119 HydrophobicContact CG-CB 4.34Å; T115-A119 WeakPolarHBondContact O-CB 3.26Å; T115-A119 PolarHBondContact O-N 3.41Å; L116-A119 PolarHBondContact O-N 2.79Å; A119-S121 PolarHBondContact O-N 3.22Å; A119-Y122 PolarHBondContact O-N 3.08Å; A119-I123 WeakPolarHBondContact O-CG1 3.37Å; A119-I123 PolarHBondContact O-N 2.89Å
120T96.9Very high94.9Very high97 Ų9771.4 Ų71.460%0.59537%0.372SS*.Hα-helixtrans-60.8-45.8175.4-58.40000111.9L116 R117 Y122 I123 A124L116-T120 PolarHBondContact O-N 2.94Å; L116-T120 PolarHBondContact O-OG1 3.34Å; L116-T120 VanDerWaalsContact O-OG1 3.08Å; R117-T120 PolarHBondContact O-N 3.08Å; T120-Y122 VanDerWaalsContact C-N 3.27Å; T120-Y122 PolarHBondContact O-N 3.18Å; T120-I123 PolarHBondContact O-N 2.9Å; T120-A124 PolarHBondContact O-N 3.37Å; T120-A124 VanDerWaalsContact O-N 3.09Å
121S96Very high94.8Very high66 Ų6674.9 Ų74.946%0.46240%0.402SS..Hα-helixtrans-62-36.5175.8-64.10000112.2R117 L118 A119 A124 Y125R117-S121 PolarHBondContact O-N 3.04Å; R117-S121 PolarHBondContact O-OG 3.47Å; L118-S121 PolarHBondContact O-N 3.5Å; A119-S121 PolarHBondContact O-N 3.22Å; S121-A124 PolarHBondContact O-N 3.39Å; S121-Y125 WeakPolarHBondContact O-CB 3.42Å; S121-Y125 PolarHBondContact O-N 3.43Å
122Y97.1Very high94.4Very high61 Ų6177.3 Ų77.324%0.23941%0.405CS..Hα-helixtrans-69.9-40.9179.3-175.5-133.5000112C100 P102 L118 A119 T120 A124 Y125 L126 F140C100-Y122 WeakPolarHBondContact O-CE1 3.32Å; P102-Y122 HydrophobicContact CG-CD2 3.78Å; P102-Y122 HydrophobicContact CG-CE1 4.27Å; P102-Y122 HydrophobicContact CG-CE2 3.51Å; P102-Y122 HydrophobicContact CG-CG 4.32Å; L118-Y122 WeakPolarHBondContact O-CB 3.47Å; L118-Y122 PolarHBondContact O-N 3.06Å; A119-Y122 PolarHBondContact O-N 3.08Å; T120-Y122 VanDerWaalsContact C-N 3.27Å; T120-Y122 PolarHBondContact O-N 3.18Å; Y122-A124 PolarHBondContact O-N 3.5Å; Y122-Y125 AromaticContact CD2-CD1 3.97Å; Y122-Y125 HydrophobicContact CD2-CD1 3.97Å; Y122-Y125 AromaticContact CE2-CD1 3.95Å; Y122-Y125 HydrophobicContact CE2-CD1 3.95Å; Y122-Y125 HydrophobicContact CE2-CE1 4.38Å; Y122-Y125 WeakPolarHBondContact O-CB 3.34Å; Y122-Y125 PolarHBondContact O-N 3.29Å; Y122-L126 HydrophobicContact CD1-CD1 4.24Å; Y122-L126 HydrophobicContact CD2-CG 4.21Å; Y122-L126 HydrophobicContact CE1-CD1 3.81Å; Y122-L126 HydrophobicContact CE1-CG 4.45Å; Y122-L126 HydrophobicContact CE2-CD1 4.09Å; Y122-L126 HydrophobicContact CE2-CD2 3.82Å; Y122-L126 HydrophobicContact CE2-CG 3.82Å; Y122-L126 WeakPolarHBondContact O-CG 3.42Å; Y122-L126 PolarHBondContact O-N 3.14Å; Y122-F140 VanDerWaalsContact CA-CE2 3.45Å; Y122-F140 HydrophobicContact CD2-CB 4.32Å; Y122-F140 HydrophobicContact CD2-CD1 4.25Å; Y122-F140 AromaticContact CD2-CD2 3.88Å; Y122-F140 HydrophobicContact CD2-CD2 3.88Å; Y122-F140 HydrophobicContact CD2-CE2 4.21Å; Y122-F140 AromaticContact CD2-CG 3.88Å; Y122-F140 HydrophobicContact CD2-CG 3.88Å; Y122-F140 HydrophobicContact CD2-CZ 4.49Å; Y122-F140 HydrophobicContact CG-CE2 4.48Å
123I96.6Very high93.2Very high104 Ų10480.4 Ų80.453%0.53343%0.427SS..Hα-helixtrans-58.1-48.8172.4-66.8165.6000110.3A119 T120 Y125 L126 M127A119-I123 WeakPolarHBondContact O-CG1 3.37Å; A119-I123 PolarHBondContact O-N 2.89Å; T120-I123 PolarHBondContact O-N 2.9Å; I123-Y125 VanDerWaalsContact C-N 3.33Å; I123-Y125 PolarHBondContact O-N 3.38Å; I123-L126 PolarHBondContact O-N 3.4Å; I123-M127 HydrophobicContact CG2-CG 4.46Å; I123-M127 HydrophobicContact CG2-SD 4.05Å; I123-M127 VanDerWaalsContact O-CG 3.31Å; I123-M127 WeakPolarHBondContact O-CG 3.49Å; I123-M127 PolarHBondContact O-N 2.94Å
124A94.6Very high91.8Very high47 Ų4780.5 Ų80.539%0.38843%0.432SS..Hα-helixtrans-59.6-43.5178.600000112.1T120 S121 Y122 L126 M127 D128T120-A124 PolarHBondContact O-N 3.37Å; T120-A124 VanDerWaalsContact O-N 3.09Å; S121-A124 PolarHBondContact O-N 3.39Å; Y122-A124 PolarHBondContact O-N 3.5Å; A124-L126 PolarHBondContact O-N 3.42Å; A124-M127 WeakPolarHBondContact O-CB 3.44Å; A124-M127 PolarHBondContact O-N 3.4Å; A124-D128 PolarHBondContact O-N 2.97Å
125Y94.6Very high90.3Very high57 Ų5782.5 Ų82.522%0.22446%0.464CS..Hα-helixtrans-57.6-48.5174.3167.6-102.3000112.2S121 Y122 I123 M127 D128 V129 E138 F140S121-Y125 WeakPolarHBondContact O-CB 3.42Å; S121-Y125 PolarHBondContact O-N 3.43Å; Y122-Y125 AromaticContact CD2-CD1 3.97Å; Y122-Y125 HydrophobicContact CD2-CD1 3.97Å; Y122-Y125 AromaticContact CE2-CD1 3.95Å; Y122-Y125 HydrophobicContact CE2-CD1 3.95Å; Y122-Y125 HydrophobicContact CE2-CE1 4.38Å; Y122-Y125 WeakPolarHBondContact O-CB 3.34Å; Y122-Y125 PolarHBondContact O-N 3.29Å; I123-Y125 VanDerWaalsContact C-N 3.33Å; I123-Y125 PolarHBondContact O-N 3.38Å; Y125-M127 VanDerWaalsContact C-N 3.28Å; Y125-M127 PolarHBondContact O-N 3.23Å; Y125-D128 PolarHBondContact O-N 3.21Å; Y125-D128 VanDerWaalsContact O-N 3.17Å; Y125-V129 HydrophobicContact CD1-CG2 4.22Å; Y125-V129 HydrophobicContact CD2-CG2 4.08Å; Y125-V129 HydrophobicContact CE1-CG2 3.76Å; Y125-V129 HydrophobicContact CE2-CG2 3.56Å; Y125-V129 HydrophobicContact CG-CG2 4.39Å; Y125-V129 VanDerWaalsContact CZ-CG2 3.4Å; Y125-V129 VanDerWaalsContact O-CG2 3.28Å; Y125-V129 WeakPolarHBondContact O-CG2 3.33Å; Y125-V129 PolarHBondContact O-N 2.84Å; Y125-E138 WeakPolarHBondContact CE2-O 3.47Å; Y125-F140 HydrophobicContact CD1-CB 3.81Å; Y125-F140 HydrophobicContact CD1-CD2 4.25Å; Y125-F140 HydrophobicContact CD1-CG 4.43Å; Y125-F140 HydrophobicContact CD2-CB 4.47Å; Y125-F140 HydrophobicContact CE1-CB 3.88Å; Y125-F140 HydrophobicContact CG-CB 4.09Å; Y125-F140 HydrophobicContact CG-CD2 4.02Å
126L94.5Very high88.7Confident67 Ų6790.9 Ų90.935%0.35150%0.504SS..Hα-helixtrans-62.4-36.7178.7-68.2176.9000112Y122 I123 A124 V129 L130Y122-L126 HydrophobicContact CD1-CD1 4.24Å; Y122-L126 HydrophobicContact CD2-CG 4.21Å; Y122-L126 HydrophobicContact CE1-CD1 3.81Å; Y122-L126 HydrophobicContact CE1-CG 4.45Å; Y122-L126 HydrophobicContact CE2-CD1 4.09Å; Y122-L126 HydrophobicContact CE2-CD2 3.82Å; Y122-L126 HydrophobicContact CE2-CG 3.82Å; Y122-L126 WeakPolarHBondContact O-CG 3.42Å; Y122-L126 PolarHBondContact O-N 3.14Å; I123-L126 PolarHBondContact O-N 3.4Å; A124-L126 PolarHBondContact O-N 3.42Å; L126-V129 PolarHBondContact O-N 3.24Å; L126-L130 VanDerWaalsContact O-CG 3.27Å; L126-L130 WeakPolarHBondContact O-CG 3.5Å; L126-L130 PolarHBondContact O-N 2.99Å
127M94.6Very high87.3Confident125 Ų12588.6 Ų88.662%0.61649%0.493SS*.Hα-helixtrans-62.9-43.3174.2-67.3176.571.600111.7I123 A124 Y125 L130 A131I123-M127 HydrophobicContact CG2-CG 4.46Å; I123-M127 HydrophobicContact CG2-SD 4.05Å; I123-M127 VanDerWaalsContact O-CG 3.31Å; I123-M127 WeakPolarHBondContact O-CG 3.49Å; I123-M127 PolarHBondContact O-N 2.94Å; A124-M127 WeakPolarHBondContact O-CB 3.44Å; A124-M127 PolarHBondContact O-N 3.4Å; Y125-M127 VanDerWaalsContact C-N 3.28Å; Y125-M127 PolarHBondContact O-N 3.23Å; M127-L130 PolarHBondContact O-N 2.93Å; M127-A131 WeakPolarHBondContact O-CB 3.36Å; M127-A131 PolarHBondContact O-N 2.98Å; M127-A131 VanDerWaalsContact O-N 3.08Å
128D91.3Very high86.4Confident98 Ų9889.9 Ų89.952%0.52451%0.506SS..Hα-helixtrans-66.2-39177.1-70.3-17000112.2A124 Y125 A131 K132A124-D128 PolarHBondContact O-N 2.97Å; Y125-D128 PolarHBondContact O-N 3.21Å; Y125-D128 VanDerWaalsContact O-N 3.17Å; D128-A131 PolarHBondContact O-N 3.14Å; D128-K132 WeakPolarHBondContact O-CG 3.43Å; D128-K132 PolarHBondContact O-N 3.01Å
129V91.9Very high85.8Confident47 Ų4792 Ų9229%0.28553%0.531SS..Hα-helixtrans-61.2-45.5174.8171.80000110.8Y125 L126 A131 K132 T137Y125-V129 HydrophobicContact CD1-CG2 4.22Å; Y125-V129 HydrophobicContact CD2-CG2 4.08Å; Y125-V129 HydrophobicContact CE1-CG2 3.76Å; Y125-V129 HydrophobicContact CE2-CG2 3.56Å; Y125-V129 HydrophobicContact CG-CG2 4.39Å; Y125-V129 VanDerWaalsContact CZ-CG2 3.4Å; Y125-V129 VanDerWaalsContact O-CG2 3.28Å; Y125-V129 WeakPolarHBondContact O-CG2 3.33Å; Y125-V129 PolarHBondContact O-N 2.84Å; L126-V129 PolarHBondContact O-N 3.24Å; V129-A131 VanDerWaalsContact C-N 3.27Å; V129-A131 PolarHBondContact O-N 2.95Å; V129-K132 PolarHBondContact O-N 2.69Å; V129-T137 HydrophobicContact CG2-CG2 4.05Å
130L91.3Very high85.4Confident149 Ų14992.2 Ų92.278%0.7853%0.529SS*.Hα-helixtrans-68.4-26.2179.1-70.2172.3000113L126 M127L126-L130 VanDerWaalsContact O-CG 3.27Å; L126-L130 WeakPolarHBondContact O-CG 3.5Å; L126-L130 PolarHBondContact O-N 2.99Å; M127-L130 PolarHBondContact O-N 2.93Å
131A89.3Confident84.8Confident80 Ų8093.8 Ų93.866%0.66153%0.534SS*.Hα-helixtrans-82.9-17.6178.600000113.7M127 D128 V129M127-A131 WeakPolarHBondContact O-CB 3.36Å; M127-A131 PolarHBondContact O-N 2.98Å; M127-A131 VanDerWaalsContact O-N 3.08Å; D128-A131 PolarHBondContact O-N 3.14Å; V129-A131 VanDerWaalsContact C-N 3.27Å; V129-A131 PolarHBondContact O-N 2.95Å
132K85.6Confident84.3Confident111 Ų11191 Ų9148%0.48352%0.515SS..  trans-99.7109.4-178.3-72.4173.6170.5-1730110.3D128 V129 T134 T137D128-K132 WeakPolarHBondContact O-CG 3.43Å; D128-K132 PolarHBondContact O-N 3.01Å; V129-K132 PolarHBondContact O-N 2.69Å; K132-T134 PolarHBondContact O-N 3.44Å; K132-T137 HydrophobicContact CB-CG2 4.31Å; K132-T137 HydrophobicContact CD-CG2 3.54Å
133D72Confident83.5Confident170 Ų17092.8 Ų92.891%0.90953%0.526SS*.SBendtrans-69.1-16.2176.4-66.7-31.7000113.3
134T65.9Low82.7Confident98 Ų9891 Ų9160%0.60152%0.516SS*.SBendtrans-94.7110.7176530000108.6K132 E136K132-T134 PolarHBondContact O-N 3.44Å; T134-E136 PolarHBondContact O-N 3.37Å
135G62.8Low81.6Confident85 Ų8594.5 Ų94.588%0.87652%0.523SS*.SBendtrans-62.425.9-176.200000117.2
136E61.6Low80Confident176 Ų176101 Ų10182%0.82255%0.552SS**  trans-100.973.5175.4-60.6-172.7177.600109.5T134T134-E136 PolarHBondContact O-N 3.37Å
137T69.1Low78.1Confident37 Ų37106.1 Ų106.123%0.22757%0.568CS.*  trans-113122.9167.754.90000109.1V129 K132 G139V129-T137 HydrophobicContact CG2-CG2 4.05Å; K132-T137 HydrophobicContact CB-CG2 4.31Å; K132-T137 HydrophobicContact CD-CG2 3.54Å; T137-G139 PolarHBondContact O-N 3.15Å
138E75.4Confident76Confident185 Ų185105.6 Ų105.686%0.86457%0.568SS**PPolyproline II helixtrans-51.1128.6171-62-167.8166.400109.3Y125Y125-E138 WeakPolarHBondContact CE2-O 3.47Å
139G82.6Confident74.1Confident57 Ų57106.4 Ų106.459%0.58857%0.572SS**PPolyproline II helixtrans-57.8150.5-176.400000112.3T137 N141T137-G139 PolarHBondContact O-N 3.15Å; G139-N141 PolarHBondContact O-N 3.26Å; G139-N141 VanDerWaalsContact O-N 3.13Å
140F89.9Confident72.4Confident20 Ų20112.8 Ų112.89%0.08859%0.591CS.*PPolyproline II helixtrans-59117.6178.3-179.9-96.4000111.8I101 P102 N103 Y122 Y125 A142I101-F140 HydrophobicContact CG2-CE1 4.32Å; P102-F140 HydrophobicContact CG-CB 4.38Å; P102-F140 HydrophobicContact CG-CD1 3.58Å; P102-F140 HydrophobicContact CG-CE1 4.13Å; P102-F140 HydrophobicContact CG-CG 4.2Å; N103-F140 PolarHBondContact ND2-O 3.13Å; Y122-F140 VanDerWaalsContact CA-CE2 3.45Å; Y122-F140 HydrophobicContact CD2-CB 4.32Å; Y122-F140 HydrophobicContact CD2-CD1 4.25Å; Y122-F140 AromaticContact CD2-CD2 3.88Å; Y122-F140 HydrophobicContact CD2-CD2 3.88Å; Y122-F140 HydrophobicContact CD2-CE2 4.21Å; Y122-F140 AromaticContact CD2-CG 3.88Å; Y122-F140 HydrophobicContact CD2-CG 3.88Å; Y122-F140 HydrophobicContact CD2-CZ 4.49Å; Y122-F140 HydrophobicContact CG-CE2 4.48Å; Y125-F140 HydrophobicContact CD1-CB 3.81Å; Y125-F140 HydrophobicContact CD1-CD2 4.25Å; Y125-F140 HydrophobicContact CD1-CG 4.43Å; Y125-F140 HydrophobicContact CD2-CB 4.47Å; Y125-F140 HydrophobicContact CE1-CB 3.88Å; Y125-F140 HydrophobicContact CG-CB 4.09Å; Y125-F140 HydrophobicContact CG-CD2 4.02Å; F140-A142 HydrophobicContact CD1-CB 4.41Å; F140-A142 HydrophobicContact CE1-CB 3.84Å
141N84.1Confident70.7Confident129 Ų129109.9 Ų109.969%0.6958%0.576SS**  trans-100107.8174.5-170.8-15.2000110.6G139 E143G139-N141 PolarHBondContact O-N 3.26Å; G139-N141 VanDerWaalsContact O-N 3.13Å; N141-E143 VanDerWaalsContact C-N 3.34Å; N141-E143 PolarHBondContact O-N 3.18Å
142A86Confident69.1Low8 Ų8112.1 Ų112.17%0.06658%0.577CS.*  trans-72.486.9173.100000109.8V104 L118 F140 I144V104-A142 HydrophobicContact CG2-CB 3.76Å; L118-A142 HydrophobicContact CD2-CB 4.23Å; F140-A142 HydrophobicContact CD1-CB 4.41Å; F140-A142 HydrophobicContact CE1-CB 3.84Å; A142-I144 WeakPolarHBondContact O-CG1 3.28Å; A142-I144 PolarHBondContact O-N 2.7Å
143E80.9Confident67.6Low99 Ų99113.1 Ų113.146%0.46358%0.581SS.*  trans-67.390.8178.1-178.589.9-102.400110.9N141 K145N141-E143 VanDerWaalsContact C-N 3.34Å; N141-E143 PolarHBondContact O-N 3.18Å; E143-K145 VanDerWaalsContact CD-CE 3.48Å; E143-K145 HydrophobicContact CG-CB 4.18Å; E143-K145 HydrophobicContact CG-CD 3.85Å; E143-K145 HydrophobicContact CG-CG 3.88Å; E143-K145 PolarHBondContact O-N 3Å; E143-K145 WeakPolarHBondContact OE1-CE 3.3Å; E143-K145 WeakPolarHBondContact OE1-CG 3.32Å; E143-K145 IonicContact OE1-NZ 3.66Å; E143-K145 WeakPolarHBondContact OE2-CE 3.37Å; E143-K145 IonicContact OE2-NZ 3.83Å; E143-K145 PolarHBondContact OE2-NZ 3.2Å
144I78.5Confident66.8Low65 Ų65112.4 Ų112.433%0.33357%0.566SS.*  trans-83.151.4172.2-39.7-174.2000109.7V104 T108 L110 A142 K146V104-I144 HydrophobicContact CG1-CD1 4.1Å; V104-I144 HydrophobicContact CG2-CD1 4.11Å; T108-I144 HydrophobicContact CG2-CD1 4.08Å; L110-I144 HydrophobicContact CD2-CD1 4.3Å; L110-I144 HydrophobicContact CD2-CG2 4.35Å; A142-I144 WeakPolarHBondContact O-CG1 3.28Å; A142-I144 PolarHBondContact O-N 2.7Å; I144-K146 PolarHBondContact O-N 3.4Å; I144-K146 VanDerWaalsContact O-N 3.07Å
145K71.8Confident66.2Low121 Ų121116.1 Ų116.153%0.52657%0.573SS.*  trans-58.3119.8169.2-93.3168.7-175.7147.40108.8K114 E143 Y147K114-K145 PolarHBondContact NZ-O 3.26Å; E143-K145 VanDerWaalsContact CD-CE 3.48Å; E143-K145 HydrophobicContact CG-CB 4.18Å; E143-K145 HydrophobicContact CG-CD 3.85Å; E143-K145 HydrophobicContact CG-CG 3.88Å; E143-K145 PolarHBondContact O-N 3Å; E143-K145 WeakPolarHBondContact OE1-CE 3.3Å; E143-K145 WeakPolarHBondContact OE1-CG 3.32Å; E143-K145 IonicContact OE1-NZ 3.66Å; E143-K145 WeakPolarHBondContact OE2-CE 3.37Å; E143-K145 IonicContact OE2-NZ 3.83Å; E143-K145 PolarHBondContact OE2-NZ 3.2Å; K145-Y147 PolarHBondContact O-N 3.32Å
146K60.6Low65.9Low195 Ų195120.1 Ų120.185%0.84856%0.562SS**  trans-6489.9168.3-61.5-178.2-174.8-179.70106.6I144 D148I144-K146 PolarHBondContact O-N 3.4Å; I144-K146 VanDerWaalsContact O-N 3.07Å; K146-D148 PolarHBondContact O-N 2.97Å
147Y54.5Low65.4Low173 Ų173116.3 Ų116.368%0.67854%0.544SS*.  trans-69.191.5160.1-107.3-88.1000105.2K145 D151K145-Y147 PolarHBondContact O-N 3.32Å; Y147-D151 VanDerWaalsContact CE1-OD2 3.32Å; Y147-D151 WeakPolarHBondContact CE1-OD2 3.47Å
148D50.4Low64.7Low115 Ų115118.9 Ų118.962%0.61556%0.56SS**  trans-56.2144.1168.7-116.9-47.6000108.5K146 R150K146-D148 PolarHBondContact O-N 2.97Å; D148-R150 PolarHBondContact O-N 3.46Å
149N51.9Low63.5Low114 Ų114115.3 Ų115.361%0.6155%0.547SS*.THydrogen-bonded Turntrans-54.45.4-175.5-93.6-85.7000116.1D151 L152 K153N149-D151 VanDerWaalsContact C-N 3.33Å; N149-D151 PolarHBondContact O-N 3.25Å; N149-L152 PolarHBondContact O-N 3.02Å; N149-K153 PolarHBondContact O-N 3.21Å
150R56.6Low62.2Low182 Ų182117.4 Ų117.469%0.68754%0.541SS*.Hα-helixtrans-59.1-36.4-176.9-79.4-165.3-58.4-179.20.3113.5D148 K153 R154D148-R150 PolarHBondContact O-N 3.46Å; R150-K153 PolarHBondContact O-N 3.29Å; R150-R154 PolarHBondContact O-N 2.85Å
151D54.5Low60.2Low88 Ų88122.1 Ų122.147%0.47157%0.567SS.*Hα-helixtrans-74.9-30.7-179.8-69.8-56.5000113.1Y147 N149 K155Y147-D151 VanDerWaalsContact CE1-OD2 3.32Å; Y147-D151 WeakPolarHBondContact CE1-OD2 3.47Å; N149-D151 VanDerWaalsContact C-N 3.33Å; N149-D151 PolarHBondContact O-N 3.25Å; D151-K155 PolarHBondContact O-N 2.92Å
152L56.5Low58.6Low127 Ų127122.5 Ų122.567%0.66557%0.568SS**Hα-helixtrans-73.3-35.3171.3-77.992.7000111.5N149 K155 R156N149-L152 PolarHBondContact O-N 3.02Å; L152-K155 PolarHBondContact O-N 3.41Å; L152-R156 PolarHBondContact O-N 3.49Å
153K54.6Low56.9Low131 Ų131128.6 Ų128.657%0.5760%0.596SS**Hα-helixtrans-68.9-39.4177.7-174.7150.6179.3177.70112.2N149 R150 K155 R156 E157N149-K153 PolarHBondContact O-N 3.21Å; R150-K153 PolarHBondContact O-N 3.29Å; K153-K155 VanDerWaalsContact C-N 3.25Å; K153-K155 PolarHBondContact O-N 2.8Å; K153-R156 WeakPolarHBondContact O-CB 3.3Å; K153-R156 PolarHBondContact O-N 3Å; K153-E157 WeakPolarHBondContact CE-OE1 3.13Å; K153-E157 HydrophobicContact CG-CG 4.32Å; K153-E157 VanDerWaalsContact CG-OE1 3.28Å; K153-E157 WeakPolarHBondContact CG-OE1 3.39Å; K153-E157 WeakPolarHBondContact O-CG 3.49Å; K153-E157 PolarHBondContact O-N 2.82Å
154R55.6Low55.3Low156 Ų156132 Ų13259%0.58961%0.611SS**Hα-helixtrans-62.5-32.5175.3-146.9-178.9-62.2-1344.1112.6R150 T158R150-R154 PolarHBondContact O-N 2.85Å; R154-T158 PolarHBondContact O-N 3.4Å; R154-T158 PolarHBondContact O-OG1 2.88Å
155K53.1Low53.6Low176 Ų176133.6 Ų133.677%0.76563%0.629SS**Hα-helixtrans-78.4-18.1175.5-163169.5174.2178.60113.6D151 L152 K153D151-K155 PolarHBondContact O-N 2.92Å; L152-K155 PolarHBondContact O-N 3.41Å; K153-K155 VanDerWaalsContact C-N 3.25Å; K153-K155 PolarHBondContact O-N 2.8Å
156R55.1Low52.4Low169 Ų169135 Ų13564%0.63864%0.641SS**Hα-helixtrans-85.3-40.3172.9-170.6173.4177.4174.71.4111.5L152 K153 T158 N159 E160L152-R156 PolarHBondContact O-N 3.49Å; K153-R156 WeakPolarHBondContact O-CB 3.3Å; K153-R156 PolarHBondContact O-N 3Å; R156-T158 PolarHBondContact O-N 3.11Å; R156-N159 WeakPolarHBondContact O-CB 3.43Å; R156-N159 PolarHBondContact O-N 3.15Å; R156-E160 IonicContact CZ-OE1 3.64Å; R156-E160 IonicContact NE-OE1 2.79Å; R156-E160 PolarHBondContact NE-OE1 3.17Å; R156-E160 IonicContact NH2-OE1 2.75Å; R156-E160 PolarHBondContact O-N 3.04Å; R156-E160 VanDerWaalsContact O-N 3.15Å
157E52.3Low51.3Low96 Ų96128.5 Ų128.545%0.44963%0.63SS.*Hα-helixtrans-60.8-43.8177.9-71.8167.7179.500111.5K153 N159 E160 D161K153-E157 WeakPolarHBondContact CE-OE1 3.13Å; K153-E157 HydrophobicContact CG-CG 4.32Å; K153-E157 VanDerWaalsContact CG-OE1 3.28Å; K153-E157 WeakPolarHBondContact CG-OE1 3.39Å; K153-E157 WeakPolarHBondContact O-CG 3.49Å; K153-E157 PolarHBondContact O-N 2.82Å; E157-N159 PolarHBondContact O-N 3.09Å; E157-N159 VanDerWaalsContact O-N 3.09Å; E157-E160 PolarHBondContact O-N 3.47Å; E157-E160 VanDerWaalsContact O-N 3.11Å; E157-D161 PolarHBondContact O-N 3.06Å
158T53.6Low50.9Low91 Ų91128.6 Ų128.656%0.55864%0.642SS**Hα-helixtrans-63.4-19.1175.2-36.80000113.7R154 R156R154-T158 PolarHBondContact O-N 3.4Å; R154-T158 PolarHBondContact O-OG1 2.88Å; R156-T158 PolarHBondContact O-N 3.11Å
159N49.5Very low50.7Low109 Ų109130.3 Ų130.358%0.58365%0.646SS**Hα-helixtrans-90.4-26.4178.1-157.6-106.9000112.3R156 E157R156-N159 WeakPolarHBondContact O-CB 3.43Å; R156-N159 PolarHBondContact O-N 3.15Å; E157-N159 PolarHBondContact O-N 3.09Å; E157-N159 VanDerWaalsContact O-N 3.09Å
160E55.3Low51.1Low102 Ų102135 Ų13548%0.47766%0.661SS.*Hα-helixtrans-82.8-32178.8-61.4-159-176.200112R156 E157 L162 Q163 E164R156-E160 IonicContact CZ-OE1 3.64Å; R156-E160 IonicContact NE-OE1 2.79Å; R156-E160 PolarHBondContact NE-OE1 3.17Å; R156-E160 IonicContact NH2-OE1 2.75Å; R156-E160 PolarHBondContact O-N 3.04Å; R156-E160 VanDerWaalsContact O-N 3.15Å; E157-E160 PolarHBondContact O-N 3.47Å; E157-E160 VanDerWaalsContact O-N 3.11Å; E160-L162 VanDerWaalsContact C-N 3.26Å; E160-L162 PolarHBondContact O-N 3.38Å; E160-Q163 PolarHBondContact O-N 2.93Å; E160-E164 PolarHBondContact O-N 3.17Å
161D48.1Very low50.9Low119 Ų119133.5 Ų133.564%0.63666%0.66SS**THydrogen-bonded Turntrans-63.1-29.1174.1-71.4-34.8000113.3E157 Q163E157-D161 PolarHBondContact O-N 3.06Å; D161-Q163 VanDerWaalsContact C-N 3.34Å
162L52.3Low50.8Low136 Ų136138.5 Ų138.571%0.71268%0.677SS**THydrogen-bonded Turntrans-79.2-18.7175-72.7168.2000112.8E160E160-L162 VanDerWaalsContact C-N 3.26Å; E160-L162 PolarHBondContact O-N 3.38Å
163Q49.9Very low50.9Low136 Ų136139.4 Ų139.464%0.63668%0.676SS**THydrogen-bonded Turntrans-90.1-22.1-176.6-166166.725.700112.5E160 D161 S165E160-Q163 PolarHBondContact O-N 2.93Å; D161-Q163 VanDerWaalsContact C-N 3.34Å; Q163-S165 VanDerWaalsContact C-N 3.27Å; Q163-S165 PolarHBondContact O-N 3.39Å
164E45.7Very low51.2Low170 Ų170134.3 Ų134.379%0.79466%0.661SS**THydrogen-bonded Turntrans-73.8-16.5179.1-161.7168-157.600113.2E160 L166E160-E164 PolarHBondContact O-N 3.17Å; E164-L166 VanDerWaalsContact C-N 3.29Å; E164-L166 PolarHBondContact O-N 3.15Å
165S44Very low51.7Low100 Ų100139.5 Ų139.570%0.69968%0.68SS**THydrogen-bonded Turntrans-75.2-8.8177.4-173.50000114.4Q163Q163-S165 VanDerWaalsContact C-N 3.27Å; Q163-S165 PolarHBondContact O-N 3.39Å
166L46Very low52.6Low150 Ų150134.1 Ų134.179%0.78566%0.662SS**SBendtrans-137.694.8-176.4-67.4174.3000112.6E164E164-L166 VanDerWaalsContact C-N 3.29Å; E164-L166 PolarHBondContact O-N 3.15Å
167G38Very low53.3Low59 Ų59128.1 Ų128.161%0.60865%0.653SS**  trans72.996.6147.600000116.4E169G167-E169 VanDerWaalsContact C-N 3.26Å; G167-E169 PolarHBondContact O-N 2.9Å
168N46.4Very low54.3Low175 Ų175131.2 Ų131.294%0.93666%0.661SS**  trans-78.768.4176-133.931.1000111.5
169E45.7Very low55.4Low151 Ų151129.6 Ų129.671%0.70665%0.652SS**  trans-86.7110.3172.4-45.6-79.8117.200108G167 K171G167-E169 VanDerWaalsContact C-N 3.26Å; G167-E169 PolarHBondContact O-N 2.9Å; E169-K171 VanDerWaalsContact O-CG 3.31Å; E169-K171 WeakPolarHBondContact O-CG 3.11Å; E169-K171 PolarHBondContact O-N 3.01Å
170K59.4Low56.3Low213 Ų213130.7 Ų130.793%0.92665%0.653SS**  trans-57.696.6177.2-85.2169.1174162.80110.8F172K170-F172 PolarHBondContact O-N 3.29Å
171K53.3Low57Low150 Ų150133.2 Ų133.265%0.65267%0.665SS**  trans-76.8112.7179.1-58.6-167.6179.9171.80110.1E169 K173E169-K171 VanDerWaalsContact O-CG 3.31Å; E169-K171 WeakPolarHBondContact O-CG 3.11Å; E169-K171 PolarHBondContact O-N 3.01Å; K171-K173 PolarHBondContact O-N 3.3Å
172F53.2Low58.2Low192 Ų192131.1 Ų131.184%0.84266%0.657SS**  trans-60.796.5169.2-158.7-93.7000108.5K170 G174K170-F172 PolarHBondContact O-N 3.29Å; F172-G174 PolarHBondContact O-N 3.46Å; F172-G174 VanDerWaalsContact O-N 3.15Å
173K58.3Low58.9Low147 Ų147130.6 Ų130.664%0.63965%0.645SS**  trans-75.2104.6-179.7-133.988.7172-166.90107.6K171 G177K171-K173 PolarHBondContact O-N 3.3Å; K173-G177 WeakPolarHBondContact CE-O 3.07Å
174G60.7Low59.8Low24 Ų24127.1 Ų127.125%0.24764%0.639CS.*  trans-63.6173171.300000112.3F172 T176 G177F172-G174 PolarHBondContact O-N 3.46Å; F172-G174 VanDerWaalsContact O-N 3.15Å; G174-T176 PolarHBondContact O-N 3.44Å; G174-G177 PolarHBondContact O-N 3.48Å
175R66.3Low60.7Low264 Ų264125.7 Ų125.7100%0.99664%0.636SS**THydrogen-bonded Turntrans-49.6-17.4-173-81.7-177.7-113.9-125.2-1.8116.8
176T71.4Confident61.6Low63 Ų63128.8 Ų128.839%0.38764%0.64SS.*THydrogen-bonded Turntrans-113.60.2-169.755.50000114.3G174 W178 W183G174-T176 PolarHBondContact O-N 3.44Å; T176-W178 VanDerWaalsContact O-CD1 3.3Å; T176-W178 PolarHBondContact O-N 3.38Å; T176-W183 HydrophobicContact CG2-CH2 3.03Å; T176-W183 HydrophobicContact CG2-CZ2 3.52Å; T176-W183 HydrophobicContact CG2-CZ3 3.94Å; T176-W183 WeakPolarHBondContact OG1-CH2 3.37Å; T176-W183 WeakPolarHBondContact OG1-CZ2 3.42Å; T176-W183 WeakPolarHBondContact OG1-CZ3 3.31Å
177G70.7Confident62.3Low43 Ų43128.8 Ų128.844%0.44364%0.64SS.*SBendtrans73-7.8175.900000115.2K173 G174K173-G177 WeakPolarHBondContact CE-O 3.07Å; G174-G177 PolarHBondContact O-N 3.48Å
178W71.9Confident63.1Low161 Ų161133.2 Ų133.261%0.6165%0.65SS**SBendtrans-84.9144.8173.8-71.991.3000111.4T176 Q180 V182T176-W178 VanDerWaalsContact O-CD1 3.3Å; T176-W178 PolarHBondContact O-N 3.38Å; W178-Q180 PolarHBondContact O-N 3.23Å; W178-V182 HydrophobicContact CE3-CG1 4.42Å
179P77.5Confident63.1Low57 Ų57137.3 Ų137.337%0.3766%0.663SS.*  trans-61.3130.5173.6-18.831.2000110.7Q181 V182P179-Q181 PolarHBondContact O-N 3.33Å; P179-V182 HydrophobicContact CB-CG2 4.11Å; P179-V182 HydrophobicContact CG-CG2 4.22Å; P179-V182 WeakPolarHBondContact O-CB 2.81Å; P179-V182 PolarHBondContact O-N 3.49Å
180Q68.5Low64Low132 Ų132136.6 Ų136.662%0.61766%0.661SS**Hα-helixtrans-50.4-36.3-175.6-162.4104.77.700113.5W178 V182 W183 A184W178-Q180 PolarHBondContact O-N 3.23Å; Q180-V182 VanDerWaalsContact C-N 3.32Å; Q180-V182 PolarHBondContact O-N 3.36Å; Q180-W183 PolarHBondContact O-N 3.42Å; Q180-A184 PolarHBondContact O-N 3.34Å
181Q70.3Confident64.3Low156 Ų156132.6 Ų132.673%0.72965%0.647SS**Hα-helixtrans-64-33-179.9-64.9169.7-33.200112.9P179 W183 A184 L185P179-Q181 PolarHBondContact O-N 3.33Å; Q181-W183 VanDerWaalsContact C-N 3.33Å; Q181-W183 PolarHBondContact O-N 2.93Å; Q181-A184 PolarHBondContact O-N 2.81Å; Q181-L185 WeakPolarHBondContact O-CG 3.41Å
182V72.3Confident64.9Low75 Ų75131.6 Ų131.646%0.45565%0.647SS.*Hα-helixtrans-68.9-34.6-179.4176.80000111.1W178 P179 Q180W178-V182 HydrophobicContact CE3-CG1 4.42Å; P179-V182 HydrophobicContact CB-CG2 4.11Å; P179-V182 HydrophobicContact CG-CG2 4.22Å; P179-V182 WeakPolarHBondContact O-CB 2.81Å; P179-V182 PolarHBondContact O-N 3.49Å; Q180-V182 VanDerWaalsContact C-N 3.32Å; Q180-V182 PolarHBondContact O-N 3.36Å
183W67.2Low65.6Low125 Ų125128.1 Ų128.147%0.47364%0.635SS.*Hα-helixtrans-78.4-34.7176.9-79.7-13.2000114.1T176 Q180 Q181 L185 E186T176-W183 HydrophobicContact CG2-CH2 3.03Å; T176-W183 HydrophobicContact CG2-CZ2 3.52Å; T176-W183 HydrophobicContact CG2-CZ3 3.94Å; T176-W183 WeakPolarHBondContact OG1-CH2 3.37Å; T176-W183 WeakPolarHBondContact OG1-CZ2 3.42Å; T176-W183 WeakPolarHBondContact OG1-CZ3 3.31Å; Q180-W183 PolarHBondContact O-N 3.42Å; Q181-W183 VanDerWaalsContact C-N 3.33Å; Q181-W183 PolarHBondContact O-N 2.93Å; W183-L185 PolarHBondContact O-N 3.04Å; W183-E186 PolarHBondContact O-N 2.93Å
184A69.9Low66Low62 Ų62126.9 Ų126.951%0.51264%0.635SS.*Hα-helixtrans-65-29.6-178.200000112.5Q180 Q181 E186Q180-A184 PolarHBondContact O-N 3.34Å; Q181-A184 PolarHBondContact O-N 2.81Å; A184-E186 VanDerWaalsContact C-N 3.32Å; A184-E186 PolarHBondContact O-N 3.35Å
185L64.2Low66.4Low140 Ų140133.7 Ų133.773%0.73366%0.661SS**G310 helixtrans-73-20.6-177.8-68.3169.7000113.8Q181 W183 L187Q181-L185 WeakPolarHBondContact O-CG 3.41Å; W183-L185 PolarHBondContact O-N 3.04Å; L185-L187 VanDerWaalsContact C-N 3.29Å; L185-L187 PolarHBondContact O-N 3.4Å
186E63Low66.4Low165 Ų165124.4 Ų124.477%0.77164%0.637SS**G310 helixtrans-83.8-3.9-179.1-165.3137.9-15500113.4W183 A184W183-E186 PolarHBondContact O-N 2.93Å; A184-E186 VanDerWaalsContact C-N 3.32Å; A184-E186 PolarHBondContact O-N 3.35Å
187L59.3Low66Low150 Ų150129.2 Ų129.279%0.78566%0.656SS**G310 helixtrans-101.94.3178.9-66.2175.8000114L185L185-L187 VanDerWaalsContact C-N 3.29Å; L185-L187 PolarHBondContact O-N 3.4Å
188N55.1Low65.6Low152 Ų152136.3 Ų136.381%0.81367%0.674SS**  trans-120.946.3-172.3-12360.8000113.4
189Q48.1Very low65Low261 Ų261134.1 Ų134.1100%1.2268%0.68SS**  trans-115.10163.5-83.6-173.283.600110.4

Retrieved 189 of 189 residues in 151.3 ms (Link to these results)