A0A3Q0KPK7_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A3Q0KPK7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 350 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
1M43.4Very low42Very low242 Ų242145.6 Ų145.6100%1.19282%0.821SS**  0140.70-80.7-170.315100108.2
2L43.9Very low42Very low180 Ų180143.5 Ų143.594%0.94282%0.817SS**  trans84.191.8-168.7-59.4169.1000114.9
3S39.8Very low42Very low109 Ų109141.9 Ų141.976%0.76281%0.812SS**  trans-81.7132.3179.547.80000112.3
4T42.8Very low41.7Very low131 Ų131140.6 Ų140.680%0.80481%0.813SS**  trans-73.9116.6171.143.50000111.1V6T4-V6 PolarHBondContact O-N 3.37Å
5N45.6Very low41.8Very low148 Ų148139.9 Ų139.979%0.79180%0.803SS**  trans-81.6106169.9-81.6-24000110
6V42.6Very low41.9Very low125 Ų125135.3 Ų135.376%0.75878%0.782SS**  trans-77.5111.8163.9176.50000107.3T4 S8T4-V6 PolarHBondContact O-N 3.37Å; V6-S8 PolarHBondContact O-N 3.17Å
7I43.7Very low42.2Very low153 Ų153134.9 Ų134.979%0.78577%0.772SS**  trans-89.4100.8173.8-63.1170.6000108.1
8S35.8Very low42.2Very low98 Ų98135.4 Ų135.469%0.68577%0.766SS**  trans-101.5109.516452.90000109.2V6V6-S8 PolarHBondContact O-N 3.17Å
9K45.5Very low42.3Very low184 Ų184134.7 Ų134.780%0.876%0.759SS**  trans-15094.3165.1-69.4-167179.61790108.6
10T41.8Very low42.5Very low132 Ų132137.4 Ų137.481%0.8176%0.757SS**  70.9114.990.256.80000115.5
11S37.4Very low42.7Very low100 Ų100141.1 Ų141.170%0.69976%0.76SS**  trans81.6118.9152.2-158.60000119.8V13S11-V13 PolarHBondContact O-N 2.95Å
12P42.1Very low42.7Very low120 Ų120136.6 Ų136.678%0.77974%0.74SS**  trans-76.3109.716432.2-26.7000108.1C14P12-C14 PolarHBondContact O-N 3.4Å; P12-C14 VanDerWaalsContact O-N 3.12Å
13V41.8Very low42.4Very low123 Ų123130.9 Ų130.975%0.74573%0.725SS**  trans-60.2116.6172.3174.20000108.4S11 I15S11-V13 PolarHBondContact O-N 2.95Å; V13-I15 PolarHBondContact O-N 3.42Å
14C38.3Very low42.5Very low123 Ų123135.8 Ų135.883%0.83173%0.726SS**  trans-51.7102.7168-78.20000109.5P12 S16P12-C14 PolarHBondContact O-N 3.4Å; P12-C14 VanDerWaalsContact O-N 3.12Å; C14-S16 PolarHBondContact O-N 3.3Å; C14-S16 VanDerWaalsContact O-N 3.08Å
15I42.8Very low42.6Very low130 Ų130139.5 Ų139.567%0.66773%0.731SS**  trans-70.5104.5167.8-54.4172.8000105.7V13 L19V13-I15 PolarHBondContact O-N 3.42Å; I15-L19 HydrophobicContact CG2-CB 4.27Å; I15-L19 HydrophobicContact CG2-CD1 4.08Å
16S43.8Very low42.5Very low67 Ų67139.1 Ų139.147%0.46973%0.725SS.*  trans-52.4142.4179.951.20000111.4C14 E18 L19C14-S16 PolarHBondContact O-N 3.3Å; C14-S16 VanDerWaalsContact O-N 3.08Å; S16-E18 PolarHBondContact O-N 2.81Å; S16-L19 PolarHBondContact O-N 2.91Å
17E46.8Very low42.5Very low128 Ų128141.3 Ų141.360%0.59872%0.724SS**THydrogen-bonded Turntrans-57.3-11.2179.6-75.9-177.613000114.5R20 R21E17-R20 PolarHBondContact O-N 2.84Å; E17-R20 IonicContact OE1-NH1 3.81Å; E17-R21 PolarHBondContact O-N 3.11Å
18E41.2Very low42.5Very low144 Ų144141.2 Ų141.267%0.67373%0.725SS**Hα-helixtrans-68.2-35.4174.9-77-171.6136.800113.4S16 R20 R21 L22S16-E18 PolarHBondContact O-N 2.81Å; E18-R20 PolarHBondContact O-N 2.99Å; E18-R21 PolarHBondContact O-N 2.93Å; E18-R21 VanDerWaalsContact O-N 3.15Å; E18-L22 WeakPolarHBondContact O-CD1 3.35Å; E18-L22 PolarHBondContact O-N 2.85Å
19L45.7Very low42.9Very low122 Ų122142.3 Ų142.364%0.63972%0.72SS**Hα-helixtrans-72.6-19175.6-84.9163.2000112.7I15 S16 R21I15-L19 HydrophobicContact CG2-CB 4.27Å; I15-L19 HydrophobicContact CG2-CD1 4.08Å; S16-L19 PolarHBondContact O-N 2.91Å; L19-R21 VanDerWaalsContact C-N 3.33Å
20R45.3Very low42.7Very low188 Ų188138 Ų13871%0.70972%0.719SS**Hα-helixtrans-77.4-20.5173-143.8-176.5-67.71480.8112.1E17 E18E17-R20 PolarHBondContact O-N 2.84Å; E17-R20 IonicContact OE1-NH1 3.81Å; E18-R20 PolarHBondContact O-N 2.99Å
21R46.5Very low42.7Very low216 Ų216139 Ų13982%0.81571%0.714SS**Hα-helixtrans-93.4-20.7179.6-69.6-176.7177.4172.81.1114E17 E18 L19E17-R21 PolarHBondContact O-N 3.11Å; E18-R21 PolarHBondContact O-N 2.93Å; E18-R21 VanDerWaalsContact O-N 3.15Å; L19-R21 VanDerWaalsContact C-N 3.33Å
22L44Very low43.2Very low147 Ų147143.7 Ų143.777%0.7772%0.721SS**SBendtrans-87.1-1.8177.9-92.6112.6000115.2E18E18-L22 WeakPolarHBondContact O-CD1 3.35Å; E18-L22 PolarHBondContact O-N 2.85Å
23G38.2Very low43.4Very low61 Ų61149.4 Ų149.463%0.62973%0.727SS**SBendtrans-100.926.1-16800000117.8
24R42.1Very low43.5Very low211 Ų211149.9 Ų149.980%0.79673%0.731SS**  trans-149.467.5173.7-73.7-168.8175.6173.7-2.6113.2H26R24-H26 PolarHBondContact O-N 3.48Å
25K43.6Very low43.7Very low209 Ų209147.9 Ų147.991%0.90972%0.718SS**  trans-78.795.7155.9-76-174.5179.7-179.90107.4F27K25-F27 PolarHBondContact O-N 3.01Å
26H43.3Very low44.3Very low141 Ų141149.3 Ų149.365%0.65373%0.726SS**  trans-57.7108.4171.6-71.9-71.6000108.9R24 N28R24-H26 PolarHBondContact O-N 3.48Å; H26-N28 VanDerWaalsContact C-N 3.27Å; H26-N28 PolarHBondContact O-N 3.47Å
27F42.5Very low44.4Very low171 Ų171154 Ų15475%0.7574%0.739SS**  trans-70.491.8165.8-168.1-103.4000106.6K25 Q29K25-F27 PolarHBondContact O-N 3.01Å; F27-Q29 HydrophobicContact CD1-CB 3.72Å; F27-Q29 HydrophobicContact CD1-CG 4.46Å; F27-Q29 HydrophobicContact CE1-CB 3.68Å; F27-Q29 HydrophobicContact CE1-CG 3.92Å; F27-Q29 PolarHBondContact O-N 3.48Å
28N43.7Very low43.9Very low150 Ų150152 Ų15280%0.80275%0.752SS**  trans-68.975.3170.8-78-23000108.5H26 A30H26-N28 VanDerWaalsContact C-N 3.27Å; H26-N28 PolarHBondContact O-N 3.47Å; N28-A30 VanDerWaalsContact C-N 3.3Å; N28-A30 PolarHBondContact O-N 3Å
29Q43.8Very low44.1Very low122 Ų122149.9 Ų149.957%0.5775%0.753SS**  trans-7494.7165-159.8164.516.700106.8F27 H31F27-Q29 HydrophobicContact CD1-CB 3.72Å; F27-Q29 HydrophobicContact CD1-CG 4.46Å; F27-Q29 HydrophobicContact CE1-CB 3.68Å; F27-Q29 HydrophobicContact CE1-CG 3.92Å; F27-Q29 PolarHBondContact O-N 3.48Å; Q29-H31 VanDerWaalsContact C-N 3.26Å; Q29-H31 PolarHBondContact O-N 3.08Å
30A42.5Very low44Very low94 Ų94152.3 Ų152.378%0.77776%0.761SS**  trans-59.294.3168.100000108.1N28 K32N28-A30 VanDerWaalsContact C-N 3.3Å; N28-A30 PolarHBondContact O-N 3Å; A30-K32 PolarHBondContact O-N 3.04Å
31H42Very low43.9Very low152 Ų152151.1 Ų151.170%0.70477%0.769SS**  trans-64.1106.9168-79.9-80000107.1Q29 R33Q29-H31 VanDerWaalsContact C-N 3.26Å; Q29-H31 PolarHBondContact O-N 3.08Å; H31-R33 PolarHBondContact O-N 2.89Å
32K47.5Very low43.8Very low198 Ų198149.3 Ų149.386%0.86177%0.77SS**  trans-46.5112.1165.2-73.8-176.5175.2-175.90107.2A30 T34A30-K32 PolarHBondContact O-N 3.04Å; K32-T34 PolarHBondContact O-N 3.4Å
33R45.2Very low44Very low241 Ų241146.7 Ų146.791%0.90976%0.762SS**  trans-60.7103.9174.8-63.7174.583104.6-2.6106.3H31 S35H31-R33 PolarHBondContact O-N 2.89Å; R33-S35 PolarHBondContact O-N 3.41Å
34T44Very low44.4Very low133 Ų133152 Ų15282%0.81677%0.77SS**  trans-6988.7166.847.30000106.4K32 L36K32-T34 PolarHBondContact O-N 3.4Å; T34-L36 PolarHBondContact O-N 2.67Å
35S42.9Very low44.4Very low80 Ų80151.4 Ų151.456%0.55977%0.769SS**  trans-59.8119.7166.1-178.60000107.5R33 F37R33-S35 PolarHBondContact O-N 3.41Å; S35-F37 WeakPolarHBondContact CB-O 3.39Å; S35-F37 PolarHBondContact O-N 3.25Å; S35-F37 VanDerWaalsContact O-N 3.14Å; S35-F37 PolarHBondContact OG-N 3.31Å; S35-F37 PolarHBondContact OG-O 3.12Å
36L55.7Low44.3Very low161 Ų161150.2 Ų150.284%0.84376%0.764SS**SBendtrans-65.5-7.7174.6-141.282.9000112.1T34T34-L36 PolarHBondContact O-N 2.67Å
37F46.8Very low44Very low166 Ų166152.2 Ų152.273%0.72877%0.774SS**SBendtrans-119.6118.3176.7-61-79.7000108.4S35 S39S35-F37 WeakPolarHBondContact CB-O 3.39Å; S35-F37 PolarHBondContact O-N 3.25Å; S35-F37 VanDerWaalsContact O-N 3.14Å; S35-F37 PolarHBondContact OG-N 3.31Å; S35-F37 PolarHBondContact OG-O 3.12Å; F37-S39 PolarHBondContact O-N 3.15Å
38G34.5Very low44.1Very low86 Ų86150.8 Ų150.889%0.88777%0.769SS**  trans-62.4118.3-17500000113.2
39S46.1Very low44Very low98 Ų98148.8 Ų148.869%0.68577%0.765SS**  trans-162.481.7148.460.10000105F37F37-S39 PolarHBondContact O-N 3.15Å
40E44Very low43.9Very low173 Ų173152.6 Ų152.681%0.80878%0.775SS**  57.495.6107.6-67.8-170.6171.900113E42E40-E42 PolarHBondContact O-N 3.23Å
41N43Very low43.8Very low164 Ų164158.3 Ų158.388%0.87778%0.777SS**  43.832114.1-62.5-22.6000119.7P43N41-P43 WeakPolarHBondContact O-CD 3.46Å
42E44.3Very low43.5Very low178 Ų178159.9 Ų159.983%0.83278%0.784SS**  trans-85.5117.4161.1-94.1-171.316400110.4E40 Q44E40-E42 PolarHBondContact O-N 3.23Å; E42-Q44 PolarHBondContact O-N 3.16Å; E42-Q44 VanDerWaalsContact O-N 3.12Å
43P47.7Very low43Very low92 Ų92157.1 Ų157.160%0.59778%0.779SS**  trans-61.6115.3161.625-28000107.1N41 Y45N41-P43 WeakPolarHBondContact O-CD 3.46Å; P43-Y45 HydrophobicContact CB-CD2 4.47Å; P43-Y45 HydrophobicContact CB-CE2 4.37Å; P43-Y45 HydrophobicContact CG-CD2 4.25Å; P43-Y45 HydrophobicContact CG-CE2 3.88Å; P43-Y45 PolarHBondContact O-N 2.82Å
44Q47.1Very low42.3Very low171 Ų171151.8 Ų151.880%0.79977%0.773SS**  trans-62.593.4162.7-86.4-179.3-23.200107.3E42 F46E42-Q44 PolarHBondContact O-N 3.16Å; E42-Q44 VanDerWaalsContact O-N 3.12Å; Q44-F46 PolarHBondContact O-N 3.06Å
45Y42Very low41.7Very low199 Ų199150.1 Ų150.178%0.7877%0.767SS**  trans-60.3106.3157.4-79.3-88.7000106.1P43 E47P43-Y45 HydrophobicContact CB-CD2 4.47Å; P43-Y45 HydrophobicContact CB-CE2 4.37Å; P43-Y45 HydrophobicContact CG-CD2 4.25Å; P43-Y45 HydrophobicContact CG-CE2 3.88Å; P43-Y45 PolarHBondContact O-N 2.82Å; Y45-E47 PolarHBondContact O-N 3.22Å
46F41.4Very low41.1Very low184 Ų184156.9 Ų156.981%0.80778%0.782SS**  trans-64.295.9158.3-88.2-94.3000106.1Q44 E48Q44-F46 PolarHBondContact O-N 3.06Å; F46-E48 VanDerWaalsContact C-N 3.27Å; F46-E48 PolarHBondContact O-N 2.72Å
47E38.1Very low40.3Very low184 Ų184153.9 Ų153.986%0.8677%0.772SS**  trans-65.594.5161-79.9-175.4159.600107.2Y45 P49Y45-E47 PolarHBondContact O-N 3.22Å; E47-P49 WeakPolarHBondContact O-CD 3.06Å
48E42.9Very low39.5Very low140 Ų140152 Ų15265%0.65478%0.775SS**  trans-65.7121.1157.9-74.6-170.2164.500107.7F46 Y50F46-E48 VanDerWaalsContact C-N 3.27Å; F46-E48 PolarHBondContact O-N 2.72Å; E48-Y50 PolarHBondContact O-N 3.33Å
49P42.3Very low39.9Very low108 Ų108158.6 Ų158.670%0.70177%0.774SS**SBendtrans-77.918.8-178.928.7-29000113.5E47E47-P49 WeakPolarHBondContact O-CD 3.06Å
50Y41.6Very low39.7Very low203 Ų203162.7 Ų162.780%0.79678%0.78SS**  trans-143.764.8-173.6-62-74.5000112.7E48E48-Y50 PolarHBondContact O-N 3.33Å
51R41.1Very low39.2Very low214 Ų214165.5 Ų165.581%0.80879%0.785SS**  trans-140.394.4151.4-76.1-153.3-177.2-141.41.2110.4N53R51-N53 PolarHBondContact O-N 2.98Å
52E35.2Very low39Very low185 Ų185165.8 Ų165.886%0.86479%0.785SS**  trans-49.6119.1147.7-70.9173.9150.600107.8
53N36.3Very low38.5Very low140 Ų140165.6 Ų165.675%0.74978%0.782SS**  trans-177.8101.2144.9-88.1-26.2000110.3R51R51-N53 PolarHBondContact O-N 2.98Å
54T32.3Very low38.1Very low129 Ų129167.8 Ų167.879%0.79179%0.793SS**  trans53.8118.5131.848.60000120.3
55S30.4Very low37.5Very low97 Ų97165.7 Ų165.768%0.67879%0.788SS**  trans77.2107.7153.4-178.50000116.8
56Y30.8Very low37.3Very low222 Ų222163.9 Ų163.987%0.87179%0.791SS**  -177159.6124.4-88.1-58.8000109.9
57P38.2Very low37.2Very low99 Ų99166.3 Ų166.364%0.64380%0.795SS**PPolyproline II helixtrans-100.8147.2-142.933.9-21.4000113.5Y59P57-Y59 PolarHBondContact O-N 3.43Å
58T31.1Very low37.2Very low127 Ų127167.3 Ų167.378%0.77980%0.797SS**PPolyproline II helixtrans-48.2117.2172.9-41.80000113.5
59Y41.4Very low37.3Very low223 Ų223166.6 Ų166.688%0.87580%0.803SS**PPolyproline II helixtrans-102.3119.4157.5-93.8-87.9000110.3P57P57-Y59 PolarHBondContact O-N 3.43Å
60K42Very low37Very low184 Ų184168.8 Ų168.880%0.881%0.808SS**PPolyproline II helixtrans-72.7140-177-69178.2176.1178.70111.5
61Y34.6Very low36.9Very low233 Ų233168.3 Ų168.391%0.91481%0.813SS**PPolyproline II helixtrans-48.6128165.8-81.2-100.4000112.8
62L39.2Very low36.9Very low169 Ų169165.3 Ų165.389%0.88581%0.812SS**  trans-107.5109.6163.3-106.2143.7000109.4
63K32.2Very low37.2Very low175 Ų175162 Ų16276%0.76180%0.804SS**  trans-69.3123.7177-164.9175.2-169.7175.10109.3
64T41Very low37.6Very low137 Ų137161.5 Ų161.584%0.8480%0.801SS**  trans-122110.8161.148.40000109.4
65N34.1Very low38.2Very low128 Ų128163.6 Ų163.668%0.68480%0.799SS**  trans-76.1125.8169.8-62.1-46.8000107.9
66N38.2Very low38.5Very low161 Ų161167.9 Ų167.986%0.86181%0.808SS**  trans-125.3104.2153.5-94.6-16.8000108.1F68N66-F68 PolarHBondContact O-N 2.81Å
67R38.1Very low38.7Very low235 Ų235163.6 Ų163.689%0.88781%0.808SS**PPolyproline II helixtrans-67.4117.1167.6-76.5179173.9-171.6-2.6108
68F39.3Very low38.8Very low205 Ų205163.3 Ų163.390%0.89981%0.814SS**PPolyproline II helixtrans-91.5117.7152.9-100-88.4000107.1N66N66-F68 PolarHBondContact O-N 2.81Å
69T43.9Very low39.1Very low125 Ų125162.4 Ų162.477%0.76781%0.813SS**PPolyproline II helixtrans-82.1129.1171410000109.3E71T69-E71 PolarHBondContact O-N 2.79Å
70D35.5Very low38.7Very low153 Ų153160.4 Ų160.482%0.81881%0.809SS**PPolyproline II helixtrans-58.9119.6165-70.8-46.8000110.6
71E39.6Very low38.5Very low194 Ų194157.3 Ų157.391%0.90781%0.811SS**  trans-137.494.2148.4-96.6-174174.400108.6T69T69-E71 PolarHBondContact O-N 2.79Å
72I41Very low38.6Very low151 Ų151154.2 Ų154.277%0.77480%0.804SS**  trans-56.5136.2154.8-60.8164000106.7
73V41.8Very low38.7Very low114 Ų114153 Ų15369%0.69180%0.804SS**  trans164.5117.2135159.20000111.6
74N44Very low39Very low130 Ų130155.4 Ų155.470%0.69581%0.808SS**  trans82114.3144.2-78.4-18.1000123.3
75K45.4Very low39Very low174 Ų174158.1 Ų158.176%0.75781%0.811SS**  107.3101.6120.9-75.6176-176.2-167.60119.3
76Q36.8Very low39.2Very low186 Ų186156.9 Ų156.987%0.86981%0.809SS**  trans71133.2134.8-66.7-162.8-39.400121.2
77P35.8Very low39.3Very low132 Ų132157 Ų15786%0.85781%0.809SS**  trans-99.1141.4171.637.1-27.9000111.9
78A40.2Very low39.5Very low93 Ų93152.3 Ų152.377%0.76980%0.801SS**  trans-139.7111169.800000111.7
79S37.5Very low39.5Very low108 Ų108150.1 Ų150.176%0.75580%0.798SS**  trans29.8119.9138.8590000121.8
80F32.8Very low39.1Very low181 Ų181149.4 Ų149.479%0.79480%0.798SS**  41.4120.7117-140.4-92.3000119.8
81S38.1Very low39.1Very low120 Ų120149.2 Ų149.284%0.83979%0.794SS**  trans-169.3130133.3-77.90000111.5
82Q36.7Very low39.1Very low167 Ų167148.8 Ų148.878%0.7879%0.792SS**  trans-92.3134.8177.9-176.6178.129.700109.7
83T40.6Very low38.8Very low143 Ų143149.2 Ų149.288%0.87779%0.79SS**  trans-123.8120167.818.60000110.6
84R38.6Very low38.8Very low226 Ų226149.1 Ų149.185%0.85380%0.795SS**  trans-69.6139.6168.4-75175.7172.4176-2.8109.8
85Q40Very low38.5Very low194 Ų194154.8 Ų154.891%0.90781%0.806SS**  trans-129.6126.2143.2-86-170.4-9.900108.7
86V38.9Very low38Very low103 Ų103156.5 Ų156.562%0.62481%0.814SS**  trans-105.3131.1171.6171.20000104.7
87D41.8Very low38.3Very low162 Ų162153.9 Ų153.987%0.86681%0.813SS**  trans-144.3123.2149.2-88.4-36.2000109.6
88N41Very low38.4Very low137 Ų137156.7 Ų156.773%0.73381%0.812SS**  trans-62.8162.6168.7-56.7-56.9000108.4
89I39.4Very low38.1Very low160 Ų160158.8 Ų158.882%0.82181%0.809SS**  174.6131.262.8-53.7172.7000101.5
90S36.2Very low37.9Very low110 Ų110164 Ų16477%0.76981%0.812SS**  159.6130.788.6-167.90000107.8
91M34.1Very low38Very low149 Ų149163.5 Ų163.573%0.73481%0.813SS**  trans-94.9130.7170.6-79.5-150.7-59.300110.1
92E40.1Very low38.1Very low185 Ų185165.8 Ų165.886%0.86481%0.807SS**  trans-111.1124.2153-87.6-147.6150.800110.4
93H35.5Very low38.2Very low159 Ų159166 Ų16674%0.73681%0.809SS**  trans-92.7130.9170.5-75.4-32.3000110.2
94S40.5Very low37.9Very low113 Ų113168.2 Ų168.279%0.7981%0.809SS**  trans-139.199.7161.139.50000112.3
95R38.8Very low38Very low248 Ų248164.5 Ų164.594%0.93681%0.811SS**  trans37.8117.9138.6-63.4-178.1176179.2-1120.3
96K35.2Very low37.8Very low210 Ų210164 Ų16491%0.91381%0.809SS**  trans-87.5149.1150.5-71.5-178.7176.9178.20111
97P43.7Very low38Very low131 Ų131164.4 Ų164.485%0.85182%0.816SS**  trans-110.3152.7149.628.1-14.7000113.1
98K36.7Very low37.9Very low191 Ų191166.9 Ų166.983%0.8381%0.813SS**  trans-84.7160.8-172.4-88.2173168.8178.70114
99L33.3Very low37.7Very low137 Ų137167.2 Ų167.272%0.71782%0.815SS**  trans68.1122.6139.2-77.4160.1000120.3
100R34.1Very low37.9Very low217 Ų217169.1 Ų169.182%0.81982%0.821SS**  -160.1120.3120.1-123.7174.9-175.4-172.41.6112
101E34.7Very low37.8Very low172 Ų172169.7 Ų169.780%0.80482%0.819SS**  trans-71.5146.5159.9-66.1168.6157.200108.7
102F40.2Very low38.3Very low167 Ų167171 Ų17173%0.73283%0.828SS**  trans-135137.6162-102.8-76.1000110.9
103E39.5Very low38.2Very low172 Ų172170.4 Ų170.480%0.80483%0.825SS**  trans-68160.2-165.6-68.1161.4150.700115.5
104H33.6Very low38.3Very low190 Ų190168.4 Ų168.488%0.8883%0.829SS**  trans-63.5145.3169.7-66.2-86000112.9
105T40.1Very low38.1Very low147 Ų147166.8 Ų166.890%0.90283%0.83SS**  trans-130.8125.6154.147.60000110.8
106E36.9Very low37.8Very low185 Ų185160.2 Ų160.286%0.86482%0.822SS**  trans-94.6142177.6175.3-178.4-17500110.2
107S43.1Very low38.1Very low110 Ų110155.9 Ų155.977%0.76982%0.818SS**  trans-157.2100.5162.1550000108
108R39.7Very low37.7Very low215 Ų215156.8 Ų156.881%0.81182%0.816SS**  45.3103.797.5-92-173.7157.8151-3.1113.7
109D35.8Very low37.9Very low143 Ų143152.5 Ų152.577%0.76581%0.81SS**  92112.681.4-90.7-13000110.7
110E43.3Very low38.4Very low201 Ų201153.6 Ų153.694%0.93981%0.814SS**  trans-163133.1130.9-109.2179.7-160.300111.9
111V36.1Very low38.7Very low122 Ų122148.5 Ų148.574%0.73980%0.799SS**  trans-87145.1-179.2165.20000108.8
112L42.6Very low38.9Very low175 Ų175149.4 Ų149.492%0.91680%0.795SS**  trans-159.8117.6139.6-94.9178000111.1
113E38.8Very low38.7Very low174 Ų174146 Ų14681%0.81379%0.788SS**  trans-51.2165.7156.1-61.7-179.4144.400110.9
114S37.4Very low38.7Very low117 Ų117144.8 Ų144.882%0.81878%0.782SS**  cis-176164.821.136.10000105.3
115G36Very low39Very low79 Ų79143.4 Ų143.481%0.81478%0.776SS**  trans152.979160.500000116.2
116S32.4Very low38.7Very low110 Ų110143.2 Ų143.277%0.76977%0.77SS**  trans-78.2144.8160.6168.80000110.2
117S42.1Very low38.7Very low118 Ų118139.4 Ų139.483%0.82577%0.77SS**  trans-178.5117135.5-780000113.4
118D36.3Very low38.3Very low150 Ų150141.5 Ų141.580%0.80277%0.767SS**  trans-4153.3145.5-80.4-33.1000123.6
119S40Very low37.9Very low102 Ų102137.1 Ų137.171%0.71377%0.765SS**  107.1155.2128.7730000120.2
120M43.4Very low38Very low159 Ų159136.2 Ų136.278%0.78377%0.765SS**  trans85.4135.1168.2-57.5-70.7-151.700115.5
121E40.2Very low37.4Very low111 Ų111132.9 Ų132.952%0.51976%0.757SS.*  cis177159.1-11.8-139.1-173.1145.500104.9
122R38.6Very low37.6Very low190 Ų190134.9 Ų134.972%0.71776%0.763SS**  trans72.7140.7145.3-81.8179.5-152.6154.914.6120.2
123T36.5Very low37.1Very low96 Ų96134.9 Ų134.959%0.58976%0.758SS**  cis173.7168.5-11.421.90000107.1
124H39.3Very low36.7Very low146 Ų146132.7 Ų132.768%0.67676%0.762SS**  trans80141.1158.8-56.3-71.2000116.1
125E41.5Very low36.4Very low161 Ų161130.8 Ų130.875%0.75276%0.762SS**  cis-166.91591.7-119.9163.7-15700111
126N33.4Very low36.3Very low143 Ų143136.3 Ų136.377%0.76577%0.766SS**  trans-36.8147.3172.3-63.9-31.5000118.2
127A37.1Very low36.7Very low106 Ų106139.6 Ų139.688%0.87677%0.769SS**  trans-155129.6133.200000111.9
128H33.1Very low36.4Very low154 Ų154140.7 Ų140.771%0.71377%0.766SS**  trans-77.1165.6-171.9-89.9-100.7000115.8
129T31.7Very low36.6Very low123 Ų123141.4 Ų141.476%0.75577%0.77SS**  trans71.8138146.854.70000117.5
130T38.4Very low36.7Very low124 Ų124145.3 Ų145.376%0.76177%0.774SS**  cis-156.6139.241.911.80000111
131V31.1Very low36.2Very low130 Ų130146.8 Ų146.879%0.78878%0.778SS**  trans-80.9126.9159.1168.30000107.5
132L39.3Very low35.9Very low165 Ų165147.2 Ų147.286%0.86479%0.789SS**  trans-129.7124.9159.5-79.7176.2000109.1
133Q32.1Very low35.7Very low174 Ų174148.1 Ų148.181%0.81379%0.794SS**  trans-77.9168.8174.2-68.4174.4-36.700111.3
134S31.3Very low36.1Very low128 Ų128147.9 Ų147.990%0.89580%0.796SS**  trans96129.6153.476.90000117.6
135G30.9Very low36.1Very low78 Ų78147.6 Ų147.680%0.80480%0.795SS**  trans162.356.8179.300000110.6
136E34.6Very low36Very low195 Ų195148.6 Ų148.691%0.91180%0.8SS**  trans-63.2125.5159.8-78.7172.4138.900108
137E40.7Very low36.2Very low179 Ų179147.5 Ų147.584%0.83679%0.793SS**  trans-154.897.3158.8-110.6169.8-155.600109.5
138D35.3Very low36.7Very low141 Ų141150.9 Ų150.975%0.75479%0.79SS**  trans41.884.6134-66.4-16.3000119.4
139N40Very low37Very low164 Ų164150.2 Ų150.288%0.87779%0.792SS**  trans-104.375.9154.1-87-30.9000110.3H141N139-H141 PolarHBondContact O-N 3.21Å
140K42.7Very low37.7Very low184 Ų184153.1 Ų153.180%0.880%0.802SS**  trans-61.2116.3165.3-86.1-178.4178.71760109.6T142K140-T142 PolarHBondContact O-N 2.88Å
141H31.5Very low37.8Very low190 Ų190154 Ų15488%0.8880%0.802SS**  trans-34.6117.7160.7-71.3-20.9000112.7N139N139-H141 PolarHBondContact O-N 3.21Å
142T35.2Very low38.6Very low120 Ų120156.7 Ų156.774%0.73681%0.806SS**  trans-126.592.7156.6-48.80000107.8K140 S144K140-T142 PolarHBondContact O-N 2.88Å; T142-S144 VanDerWaalsContact C-N 3.33Å; T142-S144 PolarHBondContact O-N 2.9Å
143Y34Very low38.7Very low209 Ų209155.2 Ų155.282%0.8280%0.799SS**  trans-79.981.9171.3-151.8-91.7000106.7Q145Y143-Q145 VanDerWaalsContact C-N 3.33Å; Y143-Q145 HydrophobicContact CD1-CB 4.3Å; Y143-Q145 PolarHBondContact O-N 3.28Å; Y143-Q145 VanDerWaalsContact O-N 3.08Å
144S44.6Very low39.3Very low92 Ų92152.6 Ų152.664%0.64380%0.797SS**  trans-80.789172.7-66.50000108.8T142 E146T142-S144 VanDerWaalsContact C-N 3.33Å; T142-S144 PolarHBondContact O-N 2.9Å; S144-E146 VanDerWaalsContact C-N 3.3Å; S144-E146 PolarHBondContact O-N 2.77Å; S144-E146 VanDerWaalsContact O-N 3.13Å
145Q38.7Very low39.7Very low139 Ų139156.2 Ų156.265%0.6579%0.791SS**  trans-76.381.5169.6-156.317813.500107.9Y143 I147Y143-Q145 VanDerWaalsContact C-N 3.33Å; Y143-Q145 HydrophobicContact CD1-CB 4.3Å; Y143-Q145 PolarHBondContact O-N 3.28Å; Y143-Q145 VanDerWaalsContact O-N 3.08Å; Q145-I147 VanDerWaalsContact C-N 3.31Å; Q145-I147 HydrophobicContact CG-CD1 4.13Å; Q145-I147 HydrophobicContact CG-CG1 3.95Å; Q145-I147 PolarHBondContact O-N 3.08Å
146E40.8Very low40Very low183 Ų183158.7 Ų158.786%0.85579%0.786SS**  trans-77.688.5168.1-78.3179.4177.400108.6S144 E148S144-E146 VanDerWaalsContact C-N 3.3Å; S144-E146 PolarHBondContact O-N 2.77Å; S144-E146 VanDerWaalsContact O-N 3.13Å; E146-E148 VanDerWaalsContact C-N 3.29Å; E146-E148 PolarHBondContact O-N 2.96Å
147I37.2Very low40.6Very low120 Ų120157.9 Ų157.962%0.61578%0.782SS**  trans-78.984.9163.5-55170.3000105.4Q145 N149Q145-I147 VanDerWaalsContact C-N 3.31Å; Q145-I147 HydrophobicContact CG-CD1 4.13Å; Q145-I147 HydrophobicContact CG-CG1 3.95Å; Q145-I147 PolarHBondContact O-N 3.08Å; I147-N149 PolarHBondContact O-N 2.86Å
148E47.9Very low40.7Very low176 Ų176155.4 Ų155.482%0.82278%0.779SS**  trans-85.2110.6167.1-155.6171.5-160.500108.1E146 L150E146-E148 VanDerWaalsContact C-N 3.29Å; E146-E148 PolarHBondContact O-N 2.96Å; E148-L150 PolarHBondContact O-N 2.97Å; E148-L150 VanDerWaalsContact O-N 3.11Å
149N39.2Very low41Very low140 Ų140157 Ų15775%0.74979%0.787SS**  trans-57.6106.7-176-61.3-60.3000111.1I147 D151I147-N149 PolarHBondContact O-N 2.86Å; N149-D151 VanDerWaalsContact C-N 3.26Å; N149-D151 PolarHBondContact O-N 2.85Å; N149-D151 VanDerWaalsContact O-N 3.16Å
150L47.1Very low41.3Very low184 Ų184152.3 Ų152.396%0.96378%0.778SS**  trans-8571.4167.2-80.4163.2000109.6E148E148-L150 PolarHBondContact O-N 2.97Å; E148-L150 VanDerWaalsContact O-N 3.11Å
151D39.8Very low41.7Very low143 Ų143147.9 Ų147.977%0.76576%0.763SS**  trans-131.193.7163.1-159.114.2000106.7N149N149-D151 VanDerWaalsContact C-N 3.26Å; N149-D151 PolarHBondContact O-N 2.85Å; N149-D151 VanDerWaalsContact O-N 3.16Å
152E48.7Very low42.8Very low187 Ų187144.6 Ų144.687%0.87475%0.751SS**  trans-177.4103151.2-101.8167.8-16000112.1
153N40.5Very low43.9Very low134 Ų134146.2 Ų146.272%0.71775%0.75SS**  trans70.1116.5134.4-128.3-16.6000120.8R155N153-R155 PolarHBondContact O-N 2.89Å
154P45.4Very low45.2Very low118 Ų118140.2 Ų140.277%0.76673%0.732SS**  trans-87.785.1171.335.3-27.9000109
155R39.3Very low46.4Very low204 Ų204141 Ų14177%0.7773%0.729SS**  trans-159.3123.8169.3-111.4157-167.1-154.23.7114N153N153-R155 PolarHBondContact O-N 2.89Å
156N35.8Very low48.2Very low130 Ų130140.7 Ų140.770%0.69573%0.726SS**  trans83.589.7151.3-50.2-31000118.1
157H47.3Very low50.1Low179 Ų179135.6 Ų135.683%0.82971%0.707SS**  trans-147.292.8141.3-71.6-57.1000108.1
158T43.8Very low52.5Low127 Ų127134.1 Ų134.178%0.77970%0.7SS**  70.8106.6104.2520000114.3G160T158-G160 PolarHBondContact O-N 3.09Å
159N41.2Very low54.3Low173 Ų173133.6 Ų133.693%0.92569%0.692SS**SBendtrans-38.3113.4164.1-68.8-25.9000111.9
160G46.1Very low56.8Low67 Ų67132.4 Ų132.469%0.69169%0.685SS**SBendtrans159.516.1169.100000119.8T158T158-G160 PolarHBondContact O-N 3.09Å
161N52Low58.8Low91 Ų91127.3 Ų127.349%0.48766%0.658SS.*  trans-167.447.4167.8-131.3-13000114.6E163 N164 D165N161-E163 PolarHBondContact O-N 3.49Å; N161-N164 HydrophobicContact CB-CB 4.46Å; N161-N164 VanDerWaalsContact CG-ND2 3.29Å; N161-N164 PolarHBondContact ND2-ND2 3.43Å; N161-N164 PolarHBondContact O-N 3.13Å; N161-N164 PolarHBondContact OD1-ND2 3.04Å; N161-D165 PolarHBondContact O-N 2.9Å
162I53.5Low61.3Low120 Ų120126.9 Ų126.962%0.61565%0.651SS**Hα-helixtrans-55.9-24.2-167.8-61169.8000113.9K166I162-K166 WeakPolarHBondContact O-CG 3.37Å
163E59Low63.3Low155 Ų155119.9 Ų119.972%0.72463%0.625SS**Hα-helixtrans-81.4-36.5179.4-66.3-173.5168.100113.1N161 K166 V167N161-E163 PolarHBondContact O-N 3.49Å; E163-K166 PolarHBondContact O-N 3.23Å; E163-V167 WeakPolarHBondContact O-CG2 3.45Å; E163-V167 PolarHBondContact O-N 2.85Å
164N61.8Low65.8Low83 Ų83116.4 Ų116.444%0.44462%0.615SS.*Hα-helixtrans-70.6-38.6179.9-71.3-17.2000111.5N161 K166 V167 D168N161-N164 HydrophobicContact CB-CB 4.46Å; N161-N164 VanDerWaalsContact CG-ND2 3.29Å; N161-N164 PolarHBondContact ND2-ND2 3.43Å; N161-N164 PolarHBondContact O-N 3.13Å; N161-N164 PolarHBondContact OD1-ND2 3.04Å; N164-K166 VanDerWaalsContact C-N 3.27Å; N164-K166 PolarHBondContact O-N 3.39Å; N164-V167 PolarHBondContact O-N 3.07Å; N164-D168 PolarHBondContact O-N 3.04Å
165D69.2Low68.1Low107 Ų107117.3 Ų117.357%0.57261%0.607SS**Hα-helixtrans-63.4-32.4177.1-65.8-18.4000112.5N161 Y169N161-D165 PolarHBondContact O-N 2.9Å; D165-Y169 WeakPolarHBondContact O-CB 3.41Å; D165-Y169 PolarHBondContact O-N 3.02Å
166K77.2Confident70.5Confident134 Ų134112.2 Ų112.258%0.58359%0.592SS**Hα-helixtrans-71.6-39.9176-73.5179.1-171.8176.80111.9I162 E163 N164 Y169 L170I162-K166 WeakPolarHBondContact O-CG 3.37Å; E163-K166 PolarHBondContact O-N 3.23Å; N164-K166 VanDerWaalsContact C-N 3.27Å; N164-K166 PolarHBondContact O-N 3.39Å; K166-Y169 PolarHBondContact O-N 3.32Å; K166-L170 VanDerWaalsContact O-CG 3.3Å; K166-L170 WeakPolarHBondContact O-CG 3.16Å; K166-L170 PolarHBondContact O-N 3.32Å
167V81.1Confident73.2Confident76 Ų76113.8 Ų113.846%0.46159%0.588SS.*Hα-helixtrans-66.6-43.6177.2175.50000109.9E163 N164 Y169 L170 I171E163-V167 WeakPolarHBondContact O-CG2 3.45Å; E163-V167 PolarHBondContact O-N 2.85Å; N164-V167 PolarHBondContact O-N 3.07Å; V167-Y169 VanDerWaalsContact C-N 3.35Å; V167-Y169 PolarHBondContact O-N 2.72Å; V167-L170 PolarHBondContact O-N 3.11Å; V167-L170 VanDerWaalsContact O-N 3.15Å; V167-I171 HydrophobicContact CG1-CD1 3.81Å; V167-I171 HydrophobicContact CG1-CG1 4.38Å; V167-I171 VanDerWaalsContact O-CG1 3.29Å; V167-I171 WeakPolarHBondContact O-CG1 3.41Å; V167-I171 PolarHBondContact O-N 2.95Å
168D86.1Confident75.2Confident88 Ų88108 Ų10847%0.47157%0.571SS.*Hα-helixtrans-63.2-40.2176.8-73.2-21.8000112.1N164 L170 I171 Q172N164-D168 PolarHBondContact O-N 3.04Å; D168-L170 PolarHBondContact O-N 3.43Å; D168-I171 PolarHBondContact O-N 3.17Å; D168-Q172 WeakPolarHBondContact O-CB 3.48Å; D168-Q172 WeakPolarHBondContact O-CG 3.5Å; D168-Q172 PolarHBondContact O-N 2.94Å
169Y86.5Confident77.5Confident165 Ų165109.4 Ų109.465%0.64757%0.566SS**Hα-helixtrans-60.4-43.3172.5-176.7-96000112.3D165 K166 V167 Q172 A173D165-Y169 WeakPolarHBondContact O-CB 3.41Å; D165-Y169 PolarHBondContact O-N 3.02Å; K166-Y169 PolarHBondContact O-N 3.32Å; V167-Y169 VanDerWaalsContact C-N 3.35Å; V167-Y169 PolarHBondContact O-N 2.72Å; Y169-Q172 PolarHBondContact O-N 2.72Å; Y169-A173 WeakPolarHBondContact O-CB 3.39Å; Y169-A173 PolarHBondContact O-N 2.86Å
170L90.7Very high79.7Confident115 Ų115107.5 Ų107.560%0.60255%0.546SS*.Hα-helixtrans-65.8-40176.9-72.6170000112.1K166 V167 D168 A173 A174K166-L170 VanDerWaalsContact O-CG 3.3Å; K166-L170 WeakPolarHBondContact O-CG 3.16Å; K166-L170 PolarHBondContact O-N 3.32Å; V167-L170 PolarHBondContact O-N 3.11Å; V167-L170 VanDerWaalsContact O-N 3.15Å; D168-L170 PolarHBondContact O-N 3.43Å; L170-A173 PolarHBondContact O-N 2.71Å; L170-A174 WeakPolarHBondContact O-CB 3.31Å; L170-A174 PolarHBondContact O-N 3.48Å
171I90.2Very high81.5Confident77 Ų77111.5 Ų111.540%0.39554%0.541SS..Hα-helixtrans-63.1-44.1175.6-68.5167.1000110.1V167 D168 A174 K175V167-I171 HydrophobicContact CG1-CD1 3.81Å; V167-I171 HydrophobicContact CG1-CG1 4.38Å; V167-I171 VanDerWaalsContact O-CG1 3.29Å; V167-I171 WeakPolarHBondContact O-CG1 3.41Å; V167-I171 PolarHBondContact O-N 2.95Å; D168-I171 PolarHBondContact O-N 3.17Å; I171-A174 PolarHBondContact O-N 2.93Å; I171-K175 HydrophobicContact CG2-CD 4.33Å; I171-K175 WeakPolarHBondContact O-CG 3.4Å; I171-K175 PolarHBondContact O-N 3.24Å
172Q92.9Very high82.9Confident135 Ų135111.3 Ų111.363%0.63154%0.537SS*.Hα-helixtrans-63.2-45.6175.8-74.8-177.30.400112D168 Y169 A174 K175 E176D168-Q172 WeakPolarHBondContact O-CB 3.48Å; D168-Q172 WeakPolarHBondContact O-CG 3.5Å; D168-Q172 PolarHBondContact O-N 2.94Å; Y169-Q172 PolarHBondContact O-N 2.72Å; Q172-A174 VanDerWaalsContact C-N 3.32Å; Q172-A174 PolarHBondContact O-N 3.05Å; Q172-K175 PolarHBondContact O-N 3.46Å; Q172-E176 PolarHBondContact O-N 3.22Å
173A90.6Very high84.3Confident40 Ų40110.8 Ų110.833%0.33154%0.535SS..Hα-helixtrans-62.2-38.1176.900000112.4Y169 L170 E176 R177Y169-A173 WeakPolarHBondContact O-CB 3.39Å; Y169-A173 PolarHBondContact O-N 2.86Å; L170-A173 PolarHBondContact O-N 2.71Å; A173-E176 PolarHBondContact O-N 3.16Å; A173-R177 WeakPolarHBondContact O-CB 3.38Å; A173-R177 PolarHBondContact O-N 3.45Å
174A91.1Very high85.3Confident60 Ų60108.2 Ų108.250%0.49653%0.526SS..Hα-helixtrans-65.5-43.1174.900000112L170 I171 Q172 R177 A178L170-A174 WeakPolarHBondContact O-CB 3.31Å; L170-A174 PolarHBondContact O-N 3.48Å; I171-A174 PolarHBondContact O-N 2.93Å; Q172-A174 VanDerWaalsContact C-N 3.32Å; Q172-A174 PolarHBondContact O-N 3.05Å; A174-R177 PolarHBondContact O-N 2.88Å; A174-A178 WeakPolarHBondContact O-CB 3.35Å; A174-A178 PolarHBondContact O-N 3.34Å
175K94.3Very high86.1Confident138 Ų138109.6 Ų109.660%0.653%0.528SS*.Hα-helixtrans-62.7-43.4175.2-74.9177.9178.5179.70111.8I171 Q172 A178 K179I171-K175 HydrophobicContact CG2-CD 4.33Å; I171-K175 WeakPolarHBondContact O-CG 3.4Å; I171-K175 PolarHBondContact O-N 3.24Å; Q172-K175 PolarHBondContact O-N 3.46Å; K175-A178 PolarHBondContact O-N 3.35Å; K175-K179 WeakPolarHBondContact O-CG 3.48Å; K175-K179 PolarHBondContact O-N 3.11Å
176E91.2Very high86.3Confident97 Ų97109.5 Ų109.545%0.45352%0.524SS..Hα-helixtrans-63.8-42.1177-161.9-153.5-170.100111.5Q172 A173 A178 K179 R180Q172-E176 PolarHBondContact O-N 3.22Å; A173-E176 PolarHBondContact O-N 3.16Å; E176-A178 PolarHBondContact O-N 3.41Å; E176-K179 PolarHBondContact O-N 3.5Å; E176-R180 VanDerWaalsContact CD-CZ 3.47Å; E176-R180 PolarHBondContact O-N 3.5Å; E176-R180 IonicContact OE1-CZ 3.53Å; E176-R180 IonicContact OE1-NH1 3.31Å; E176-R180 PolarHBondContact OE1-NH1 3.15Å; E176-R180 IonicContact OE1-NH2 3.58Å; E176-R180 PolarHBondContact OE1-NH2 3.06Å; E176-R180 IonicContact OE2-CZ 2.66Å; E176-R180 IonicContact OE2-NH1 2.8Å; E176-R180 PolarHBondContact OE2-NH1 3.33Å; E176-R180 IonicContact OE2-NH2 3.97Å
177R91.3Very high86Confident162 Ų162107.1 Ų107.161%0.61152%0.518SS*.Hα-helixtrans-63.2-39.3175.6-167.5179.6-153.1175.77.8112.6A173 A174 R181A173-R177 WeakPolarHBondContact O-CB 3.38Å; A173-R177 PolarHBondContact O-N 3.45Å; A174-R177 PolarHBondContact O-N 2.88Å; R177-R181 WeakPolarHBondContact O-CG 3.49Å; R177-R181 PolarHBondContact O-N 2.96Å; R177-R181 VanDerWaalsContact O-N 3.15Å
178A89.9Confident84.9Confident58 Ų58105.7 Ų105.748%0.47951%0.511SS..Hα-helixtrans-65.5-43.8175.400000111.5A174 K175 E176 R180 R181 E182A174-A178 WeakPolarHBondContact O-CB 3.35Å; A174-A178 PolarHBondContact O-N 3.34Å; K175-A178 PolarHBondContact O-N 3.35Å; E176-A178 PolarHBondContact O-N 3.41Å; A178-R180 PolarHBondContact O-N 2.94Å; A178-R181 PolarHBondContact O-N 3.39Å; A178-E182 PolarHBondContact O-N 2.84Å; A178-E182 VanDerWaalsContact O-N 3.07Å
179K91.1Very high83.6Confident156 Ų156105.9 Ų105.968%0.67851%0.512SS*.Hα-helixtrans-59.7-43.6174.9-75.3-175.2176.9-174.30112.5K175 E176 R181 E182 L183K175-K179 WeakPolarHBondContact O-CG 3.48Å; K175-K179 PolarHBondContact O-N 3.11Å; E176-K179 PolarHBondContact O-N 3.5Å; K179-R181 PolarHBondContact O-N 3.1Å; K179-E182 PolarHBondContact O-N 2.92Å; K179-L183 PolarHBondContact O-N 3.02Å
180R87.5Confident82Confident134 Ų134105.1 Ų105.151%0.50651%0.514SS..Hα-helixtrans-59.6-45.5175.1-74.9-173.9177.5115.24.3112.3E176 A178 E182 L183 D184E176-R180 VanDerWaalsContact CD-CZ 3.47Å; E176-R180 PolarHBondContact O-N 3.5Å; E176-R180 IonicContact OE1-CZ 3.53Å; E176-R180 IonicContact OE1-NH1 3.31Å; E176-R180 PolarHBondContact OE1-NH1 3.15Å; E176-R180 IonicContact OE1-NH2 3.58Å; E176-R180 PolarHBondContact OE1-NH2 3.06Å; E176-R180 IonicContact OE2-CZ 2.66Å; E176-R180 IonicContact OE2-NH1 2.8Å; E176-R180 PolarHBondContact OE2-NH1 3.33Å; E176-R180 IonicContact OE2-NH2 3.97Å; A178-R180 PolarHBondContact O-N 2.94Å; R180-E182 VanDerWaalsContact C-N 3.27Å; R180-E182 PolarHBondContact O-N 2.88Å; R180-L183 PolarHBondContact O-N 3.29Å; R180-D184 PolarHBondContact O-N 3.2Å
181R85Confident80.1Confident150 Ų150103.8 Ų103.857%0.56651%0.508SS*.Hα-helixtrans-60.9-36.1176.9-73.6175.9177.4178.3-1112.5R177 A178 K179 K185R177-R181 WeakPolarHBondContact O-CG 3.49Å; R177-R181 PolarHBondContact O-N 2.96Å; R177-R181 VanDerWaalsContact O-N 3.15Å; A178-R181 PolarHBondContact O-N 3.39Å; K179-R181 PolarHBondContact O-N 3.1Å; R181-K185 WeakPolarHBondContact O-CG 3.49Å; R181-K185 PolarHBondContact O-N 2.71Å; R181-K185 VanDerWaalsContact O-N 3.1Å
182E81.2Confident78.3Confident87 Ų87106 Ų10641%0.40752%0.517SS..Hα-helixtrans-72.2-40.8177.7-161.256.4-146.100111.6A178 K179 R180 D184 K185 Q186A178-E182 PolarHBondContact O-N 2.84Å; A178-E182 VanDerWaalsContact O-N 3.07Å; K179-E182 PolarHBondContact O-N 2.92Å; R180-E182 VanDerWaalsContact C-N 3.27Å; R180-E182 PolarHBondContact O-N 2.88Å; E182-D184 VanDerWaalsContact C-N 3.34Å; E182-D184 PolarHBondContact O-N 2.95Å; E182-K185 WeakPolarHBondContact O-CB 3.4Å; E182-K185 PolarHBondContact O-N 3.4Å; E182-K185 IonicContact OE2-NZ 3.19Å; E182-K185 PolarHBondContact OE2-NZ 3.43Å; E182-Q186 WeakPolarHBondContact O-CG 3.44Å; E182-Q186 PolarHBondContact O-N 3.09Å; E182-Q186 VanDerWaalsContact O-N 3.08Å
183L83.3Confident76.2Confident109 Ų109106.8 Ų106.857%0.57153%0.525SS*.Hα-helixtrans-60-42.6170.8-74.8170.5000112.2K179 R180 K185 Q186 N187K179-L183 PolarHBondContact O-N 3.02Å; R180-L183 PolarHBondContact O-N 3.29Å; L183-K185 VanDerWaalsContact C-N 3.31Å; L183-K185 PolarHBondContact O-N 3.22Å; L183-Q186 PolarHBondContact O-N 2.88Å; L183-N187 WeakPolarHBondContact O-CB 3.44Å; L183-N187 VanDerWaalsContact O-CG 3.25Å; L183-N187 PolarHBondContact O-N 3.49Å; L183-N187 PolarHBondContact O-ND2 2.91Å
184D78.6Confident74.3Confident102 Ų102111.1 Ų111.155%0.54554%0.541SS..Hα-helixtrans-62.6-37.8177.1-69-23.3000111.7R180 E182 S188R180-D184 PolarHBondContact O-N 3.2Å; E182-D184 VanDerWaalsContact C-N 3.34Å; E182-D184 PolarHBondContact O-N 2.95Å; D184-S188 VanDerWaalsContact O-CB 3.23Å; D184-S188 WeakPolarHBondContact O-CB 3.23Å; D184-S188 PolarHBondContact O-N 3.33Å; D184-S188 PolarHBondContact O-OG 2.81Å
185K78.3Confident72.4Confident111 Ų111116.7 Ų116.748%0.48356%0.555SS.*Hα-helixtrans-64.4-45.6174.3-73.1175.7-162.11630111.8R181 E182 L183 S188 N189R181-K185 WeakPolarHBondContact O-CG 3.49Å; R181-K185 PolarHBondContact O-N 2.71Å; R181-K185 VanDerWaalsContact O-N 3.1Å; E182-K185 WeakPolarHBondContact O-CB 3.4Å; E182-K185 PolarHBondContact O-N 3.4Å; E182-K185 IonicContact OE2-NZ 3.19Å; E182-K185 PolarHBondContact OE2-NZ 3.43Å; L183-K185 VanDerWaalsContact C-N 3.31Å; L183-K185 PolarHBondContact O-N 3.22Å; K185-S188 WeakPolarHBondContact CA-OG 3.43Å; K185-S188 PolarHBondContact O-N 2.76Å; K185-S188 PolarHBondContact O-OG 2.96Å; K185-N189 PolarHBondContact O-N 3.32Å
186Q75Confident70Confident105 Ų105117.7 Ų117.749%0.49157%0.566SS.*Hα-helixtrans-61.3-46177.9-62.9-62.1-2500110.8E182 L183 S188 N189 E190E182-Q186 WeakPolarHBondContact O-CG 3.44Å; E182-Q186 PolarHBondContact O-N 3.09Å; E182-Q186 VanDerWaalsContact O-N 3.08Å; L183-Q186 PolarHBondContact O-N 2.88Å; Q186-S188 VanDerWaalsContact C-N 3.28Å; Q186-S188 PolarHBondContact O-N 2.97Å; Q186-N189 PolarHBondContact O-N 2.77Å; Q186-E190 PolarHBondContact O-N 3.36Å
187N70.2Confident67.5Low85 Ų85116.3 Ų116.346%0.45557%0.572SS.*Hα-helixtrans-65.2-29175.7-67.5-20.5000113L183 N191L183-N187 WeakPolarHBondContact O-CB 3.44Å; L183-N187 VanDerWaalsContact O-CG 3.25Å; L183-N187 PolarHBondContact O-N 3.49Å; L183-N187 PolarHBondContact O-ND2 2.91Å; N187-N191 PolarHBondContact O-N 3.42Å; N187-N191 PolarHBondContact O-ND2 3.41Å
188S59.1Low65.1Low46 Ų46114.1 Ų114.132%0.32258%0.582SS.*Hα-helixtrans-78-27.5177.276.70000113.2D184 K185 Q186 N191 Q192D184-S188 VanDerWaalsContact O-CB 3.23Å; D184-S188 WeakPolarHBondContact O-CB 3.23Å; D184-S188 PolarHBondContact O-N 3.33Å; D184-S188 PolarHBondContact O-OG 2.81Å; K185-S188 WeakPolarHBondContact CA-OG 3.43Å; K185-S188 PolarHBondContact O-N 2.76Å; K185-S188 PolarHBondContact O-OG 2.96Å; Q186-S188 VanDerWaalsContact C-N 3.28Å; Q186-S188 PolarHBondContact O-N 2.97Å; S188-N191 PolarHBondContact O-N 2.81Å; S188-Q192 WeakPolarHBondContact O-CB 3.18Å; S188-Q192 WeakPolarHBondContact O-CG 3.36Å; S188-Q192 PolarHBondContact O-N 3.02Å
189N57.1Low62.9Low91 Ų91119.9 Ų119.949%0.48760%0.599SS.*Hα-helixtrans-74.5-35.1176.4-79-11.7000111.8K185 Q186 N191K185-N189 PolarHBondContact O-N 3.32Å; Q186-N189 PolarHBondContact O-N 2.77Å; N189-N191 VanDerWaalsContact C-N 3.33Å
190E53.8Low61Low149 Ų149122.2 Ų122.270%0.69661%0.609SS**Hα-helixtrans-68.2-33.4172.4-70.2-174.2167.500112.2Q186Q186-E190 PolarHBondContact O-N 3.36Å
191N51.1Low59.2Low87 Ų87120 Ų12047%0.46561%0.612SS.*Hα-helixtrans-82-23.5177-75.1-56000114N187 S188 N189 L193 L194 F195N187-N191 PolarHBondContact O-N 3.42Å; N187-N191 PolarHBondContact O-ND2 3.41Å; S188-N191 PolarHBondContact O-N 2.81Å; N189-N191 VanDerWaalsContact C-N 3.33Å; N191-L193 VanDerWaalsContact C-N 3.28Å; N191-L193 PolarHBondContact O-N 3.34Å; N191-L194 PolarHBondContact O-N 2.92Å; N191-F195 WeakPolarHBondContact O-CD2 3.43Å; N191-F195 PolarHBondContact O-N 3.25Å
192Q52Low57.7Low125 Ų125123 Ų12358%0.58463%0.629SS**Hα-helixtrans-68.6-28.1173.9-84.8175.155.100112.5S188 L194S188-Q192 WeakPolarHBondContact O-CB 3.18Å; S188-Q192 WeakPolarHBondContact O-CG 3.36Å; S188-Q192 PolarHBondContact O-N 3.02Å; Q192-L194 VanDerWaalsContact C-N 3.31Å; Q192-L194 PolarHBondContact O-N 3.17Å
193L49.3Very low56.3Low151 Ų151128.4 Ų128.479%0.79165%0.645SS**Hα-helixtrans-75.4-16.2172.9-102.6149.6000113.9N191N191-L193 VanDerWaalsContact C-N 3.28Å; N191-L193 PolarHBondContact O-N 3.34Å
194L50.8Low54.9Low131 Ų131127.2 Ų127.269%0.68664%0.64SS**Hα-helixtrans-94.6-17.5-179.5-151.378.9000113.6N191 Q192N191-L194 PolarHBondContact O-N 2.92Å; Q192-L194 VanDerWaalsContact C-N 3.31Å; Q192-L194 PolarHBondContact O-N 3.17Å
195F49.7Very low54Low177 Ų177127 Ų12778%0.77664%0.644SS**Hα-helixtrans-101-3.9-179.4-82-77.9000114.9N191N191-F195 WeakPolarHBondContact O-CD2 3.43Å; N191-F195 PolarHBondContact O-N 3.25Å
196D44.7Very low53.1Low158 Ų158128.5 Ų128.585%0.84565%0.652SS**SBendtrans-90.4-0.1-179.9-108.1-8.8000114.4
197A39.3Very low52Low69 Ų69132.1 Ų132.157%0.5766%0.663SS**SBendtrans-128121.7175.800000110.8
198S40.1Very low51.3Low116 Ų116134.6 Ų134.681%0.81167%0.672SS**SBendtrans90.1120.5164.984.50000117.7
199Q44.6Very low51.1Low179 Ų179140.2 Ų140.284%0.83669%0.686SS**  trans73.177.1167.3-54.2-164.39.400117P201Q199-P201 WeakPolarHBondContact O-CD 3.35Å; Q199-P201 VanDerWaalsContact O-N 3.08Å
200K50.5Low51.1Low205 Ų205139.3 Ų139.389%0.89170%0.698SS**  trans-51.7114.8144.3-71.4-177.9179.4-178.90107K202K200-K202 PolarHBondContact O-N 2.87Å
201P49.7Very low51.4Low87 Ų87138.4 Ų138.457%0.56570%0.697SS**  trans-57.6133169.122.9-29.4000106.3Q199 R203Q199-P201 WeakPolarHBondContact O-CD 3.35Å; Q199-P201 VanDerWaalsContact O-N 3.08Å; P201-R203 HydrophobicContact CG-CG 4.42Å; P201-R203 PolarHBondContact O-N 3.33Å
202K53.7Low51.7Low214 Ų214137.2 Ų137.293%0.9369%0.691SS**  trans-5788.9170.2-76.3179.6176.9177.30107K200 N204K200-K202 PolarHBondContact O-N 2.87Å; K202-N204 PolarHBondContact O-N 3.08Å; K202-N204 VanDerWaalsContact O-N 3.08Å
203R51.7Low51.9Low199 Ų199139.2 Ų139.275%0.75171%0.705SS**  trans-68.3109.9-177.9-79.2-177.4173.3141.8-0.4106.3P201P201-R203 HydrophobicContact CG-CG 4.42Å; P201-R203 PolarHBondContact O-N 3.33Å
204N52.8Low52.2Low84 Ų84133.5 Ų133.545%0.44968%0.68SS.*  trans-55.1125.9176.1-166.3-1.6000108.5K202 E206 Y207K202-N204 PolarHBondContact O-N 3.08Å; K202-N204 VanDerWaalsContact O-N 3.08Å; N204-E206 PolarHBondContact O-N 2.79Å; N204-Y207 PolarHBondContact O-N 3.01Å
205P60.6Low52.9Low97 Ų97133.9 Ų133.963%0.6369%0.69SS**Hα-helixtrans-56-21.8-17719-33.4000113.9Y207 Q208P205-Y207 VanDerWaalsContact C-N 3.34Å; P205-Y207 PolarHBondContact O-N 3.24Å; P205-Q208 PolarHBondContact O-N 3.23Å
206E58.5Low53.8Low143 Ų143135.5 Ų135.567%0.66869%0.691SS**Hα-helixtrans-68.3-29.5176.9-67.4173.3159.500113.4N204 Q208 R209N204-E206 PolarHBondContact O-N 2.79Å; E206-Q208 PolarHBondContact O-N 2.82Å; E206-R209 PolarHBondContact O-N 2.73Å
207Y52.9Low54.4Low182 Ų182132.8 Ų132.871%0.71467%0.67SS**Hα-helixtrans-71.4-28.8178.8-108.9-92.5000112.7N204 P205N204-Y207 PolarHBondContact O-N 3.01Å; P205-Y207 VanDerWaalsContact C-N 3.34Å; P205-Y207 PolarHBondContact O-N 3.24Å
208Q55.5Low55.3Low137 Ų137133.9 Ų133.964%0.6467%0.67SS**Hα-helixtrans-72.7-28.3177-82.2-174.7-2100112.8P205 E206 G210P205-Q208 PolarHBondContact O-N 3.23Å; E206-Q208 PolarHBondContact O-N 2.82Å; Q208-G210 VanDerWaalsContact C-N 3.29Å; Q208-G210 PolarHBondContact O-N 3.03Å
209R55.9Low56.2Low164 Ų164131.2 Ų131.262%0.61965%0.646SS**Hα-helixtrans-72-19.8179.1-78.4-173.2168.3-157.3-4113.8E206 Y233E206-R209 PolarHBondContact O-N 2.73Å; R209-Y233 PolarHBondContact NH1-OH 2.99Å; R209-Y233 VanDerWaalsContact NH1-OH 3.11Å
210G56.3Low57.2Low72 Ų72127.8 Ų127.874%0.74264%0.64SS**THydrogen-bonded Turntrans-93.4-11.2-176.600000115.7Q208Q208-G210 VanDerWaalsContact C-N 3.29Å; Q208-G210 PolarHBondContact O-N 3.03Å
211L59.5Low57.9Low129 Ų129127.1 Ų127.168%0.67564%0.64SS**SBendtrans-91.8-10.3-167.1-104.1138.9000114.4
212L57.8Low58.4Low63 Ų63127 Ų12733%0.3363%0.632SS.*  trans-149.178.3-160.8-71.4165.8000114.3Y217L212-Y217 HydrophobicContact CB-CD1 4.25Å; L212-Y217 HydrophobicContact CD1-CD1 3.47Å; L212-Y217 VanDerWaalsContact CD1-CD1 3.47Å; L212-Y217 HydrophobicContact CD1-CE1 3Å; L212-Y217 HydrophobicContact CD1-CG 4.38Å; L212-Y217 HydrophobicContact CD2-CD1 3.02Å; L212-Y217 HydrophobicContact CD2-CD2 3.41Å; L212-Y217 VanDerWaalsContact CD2-CD2 3.41Å; L212-Y217 HydrophobicContact CD2-CE1 3.34Å; L212-Y217 HydrophobicContact CD2-CE2 3.69Å; L212-Y217 HydrophobicContact CD2-CG 3.04Å; L212-Y217 HydrophobicContact CG-CD1 3.67Å; L212-Y217 HydrophobicContact CG-CE1 3.68Å; L212-Y217 HydrophobicContact CG-CG 4.18Å
213N56.1Low58Low166 Ų166119 Ų11989%0.88861%0.609SS**  trans-117.430.9159.6-80.7-17.9000110.8
214A56.5Low57.7Low32 Ų32117.4 Ų117.426%0.26461%0.614SS.*  trans-81.3124.7169.900000108.3W216 Y217A214-W216 HydrophobicContact CB-CD2 4.18Å; A214-W216 HydrophobicContact CB-CG 4.39Å; A214-W216 HydrophobicContact CB-CZ2 4.14Å; A214-W216 PolarHBondContact O-N 3.38Å; A214-Y217 PolarHBondContact O-N 2.93Å
215P64Low57.4Low139 Ų139116.9 Ų116.990%0.90363%0.629SS**THydrogen-bonded Turntrans-56.2-17.2-178.3-24.131.4000114.6
216W68.5Low56.9Low210 Ų210115 Ų11580%0.79562%0.618SS**THydrogen-bonded Turntrans-105.2-2.3-175.653-93.2000114.1A214A214-W216 HydrophobicContact CB-CD2 4.18Å; A214-W216 HydrophobicContact CB-CG 4.39Å; A214-W216 HydrophobicContact CB-CZ2 4.14Å; A214-W216 PolarHBondContact O-N 3.38Å
217Y58.1Low56.8Low102 Ų102117.3 Ų117.340%0.463%0.629SS.*  trans-95.8118.8177-171.8-80.8000111.3L212 A214 N219L212-Y217 HydrophobicContact CB-CD1 4.25Å; L212-Y217 HydrophobicContact CD1-CD1 3.47Å; L212-Y217 VanDerWaalsContact CD1-CD1 3.47Å; L212-Y217 HydrophobicContact CD1-CE1 3Å; L212-Y217 HydrophobicContact CD1-CG 4.38Å; L212-Y217 HydrophobicContact CD2-CD1 3.02Å; L212-Y217 HydrophobicContact CD2-CD2 3.41Å; L212-Y217 VanDerWaalsContact CD2-CD2 3.41Å; L212-Y217 HydrophobicContact CD2-CE1 3.34Å; L212-Y217 HydrophobicContact CD2-CE2 3.69Å; L212-Y217 HydrophobicContact CD2-CG 3.04Å; L212-Y217 HydrophobicContact CG-CD1 3.67Å; L212-Y217 HydrophobicContact CG-CE1 3.68Å; L212-Y217 HydrophobicContact CG-CG 4.18Å; A214-Y217 PolarHBondContact O-N 2.93Å; Y217-N219 HydrophobicContact CE1-CB 4.19Å
218T58.8Low56.8Low91 Ų91115.8 Ų115.856%0.55863%0.633SS**  trans-106.8127.6167.250.40000108.4P220T218-P220 WeakPolarHBondContact O-CD 3.49Å
219N57.9Low56.7Low60 Ų60112.9 Ų112.932%0.32163%0.625SS.*  trans-63.4131.9179.9176.47.2000111.4Y217 E221 E222Y217-N219 HydrophobicContact CE1-CB 4.19Å; N219-E221 PolarHBondContact O-N 3.44Å; N219-E222 HydrophobicContact CB-CB 3.73Å; N219-E222 CarbonylContact O-C 3.48Å; N219-E222 WeakPolarHBondContact O-CA 3.39Å; N219-E222 WeakPolarHBondContact O-CB 3.45Å; N219-E222 PolarHBondContact O-N 2.77Å
220P65.3Low56.4Low108 Ų108112 Ų11270%0.70163%0.627SS**THydrogen-bonded Turntrans-14.7-63.2164.246.3-33.3000118.5T218T218-P220 WeakPolarHBondContact O-CD 3.49Å
221E65.6Low56.1Low190 Ų190119 Ų11989%0.88863%0.632SS**THydrogen-bonded Turntrans-92.9-13.9-168.3-55.7-165.7172.400111.7N219 G223N219-E221 PolarHBondContact O-N 3.44Å; E221-G223 PolarHBondContact O-N 3.14Å
222E59.6Low55.3Low86 Ų86121 Ų12140%0.40263%0.631SS.*SBendtrans-92.466.2173.1-152.4170.3-156.800107N219 I224 V229N219-E222 HydrophobicContact CB-CB 3.73Å; N219-E222 CarbonylContact O-C 3.48Å; N219-E222 WeakPolarHBondContact O-CA 3.39Å; N219-E222 WeakPolarHBondContact O-CB 3.45Å; N219-E222 PolarHBondContact O-N 2.77Å; E222-I224 PolarHBondContact O-N 3.27Å; E222-V229 HydrophobicContact CG-CG2 4.27Å
223G45.5Very low54.6Low44 Ų44126.2 Ų126.245%0.45465%0.648SS.*  trans-48140.4178.500000110.8E221 G225 S226E221-G223 PolarHBondContact O-N 3.14Å; G223-G225 PolarHBondContact O-N 2.73Å; G223-S226 PolarHBondContact O-N 3.14Å
224I46.4Very low53.7Low166 Ų166123.6 Ų123.685%0.85164%0.643SS**THydrogen-bonded Turntrans-57.990.4174.1-56.3168.3000107.1E222E222-I224 PolarHBondContact O-N 3.27Å
225G47.1Very low53.1Low74 Ų74133 Ų13376%0.76367%0.671SS**THydrogen-bonded Turntrans138.31.4-17200000117.3G223 E227G223-G225 PolarHBondContact O-N 2.73Å; G225-E227 PolarHBondContact O-N 3.37Å
226S48.5Very low51.9Low58 Ų58132 Ų13241%0.40667%0.667SS.*  trans-80.582.6173.159.60000111.9G223 N228G223-S226 PolarHBondContact O-N 3.14Å; S226-N228 PolarHBondContact O-N 3.25Å
227E56.6Low50.8Low191 Ų191128.1 Ų128.189%0.89367%0.667SS**THydrogen-bonded Turntrans-60.8-0.1175.8-166.8168.5-173.500114.4G225G225-E227 PolarHBondContact O-N 3.37Å
228N54.3Low50.5Low149 Ų149132 Ų13280%0.79769%0.685SS**THydrogen-bonded Turntrans-103.814.5-174.4-64.2-22.8000115S226 Q230S226-N228 PolarHBondContact O-N 3.25Å; N228-Q230 PolarHBondContact O-N 2.88Å
229V52.9Low49.9Very low77 Ų77133.9 Ų133.947%0.46770%0.699SS.*  trans-79.476.1173.5-171.80000109.8E222 R231E222-V229 HydrophobicContact CG-CG2 4.27Å; V229-R231 PolarHBondContact O-N 3.4Å
230Q49.4Very low49.2Very low144 Ų144137.9 Ų137.967%0.67372%0.719SS**  trans-60.198.7169-157.3164.526.400107.9N228 Y232N228-Q230 PolarHBondContact O-N 2.88Å; Q230-Y232 VanDerWaalsContact C-N 3.33Å; Q230-Y232 HydrophobicContact CB-CD2 4.49Å; Q230-Y232 HydrophobicContact CB-CE2 4.19Å; Q230-Y232 HydrophobicContact CG-CE2 4.13Å; Q230-Y232 WeakPolarHBondContact O-CD2 3.34Å; Q230-Y232 PolarHBondContact O-N 3.25Å
231R50Low48.3Very low221 Ų221137.1 Ų137.183%0.83472%0.717SS**  trans-61.793.5174.5-68.7-177.6-149.1171.27.1108.9V229 Y233V229-R231 PolarHBondContact O-N 3.4Å; R231-Y233 PolarHBondContact O-N 3.32Å
232Y42.5Very low47Very low171 Ų171135.1 Ų135.167%0.67171%0.712SS**  trans-71.979162.4-77.1-88.1000108.9Q230Q230-Y232 VanDerWaalsContact C-N 3.33Å; Q230-Y232 HydrophobicContact CB-CD2 4.49Å; Q230-Y232 HydrophobicContact CB-CE2 4.19Å; Q230-Y232 HydrophobicContact CG-CE2 4.13Å; Q230-Y232 WeakPolarHBondContact O-CD2 3.34Å; Q230-Y232 PolarHBondContact O-N 3.25Å
233Y43.7Very low46.4Very low171 Ų171136 Ų13667%0.67173%0.727SS**  trans-113.699.1153-77.2-73.1000108.4R209 R231 R235R209-Y233 PolarHBondContact NH1-OH 2.99Å; R209-Y233 VanDerWaalsContact NH1-OH 3.11Å; R231-Y233 PolarHBondContact O-N 3.32Å; Y233-R235 PolarHBondContact O-N 2.66Å
234S37.5Very low46.5Very low112 Ų112140.5 Ų140.578%0.78374%0.741SS**  trans-48.6114.9171.7-44.20000111.7
235R42.7Very low46.4Very low228 Ų228140.3 Ų140.386%0.8674%0.736SS**  trans-178.899.6131.8-99.1170.9-169.6-147.72.8108.8Y233 V237Y233-R235 PolarHBondContact O-N 2.66Å; R235-V237 PolarHBondContact O-N 3.27Å
236S39.1Very low46.4Very low118 Ų118146.3 Ų146.383%0.82574%0.741SS**  trans40.976.9144630000116.8
237V45.9Very low46.4Very low129 Ų129150.7 Ų150.778%0.78276%0.759SS**  trans-134.4125.7157.3-172.40000108.1R235R235-V237 PolarHBondContact O-N 3.27Å
238K51.5Low46Very low183 Ų183146.1 Ų146.180%0.79675%0.747SS**  trans-48.1146.6-176.5-65.1170.4177.8176.70111.4I240K238-I240 PolarHBondContact O-N 3.15Å
239P45.7Very low46Very low131 Ų131147.7 Ų147.785%0.85175%0.747SS**  trans-62.1108.8176.326.7-31.9000108.4S241P239-S241 PolarHBondContact O-N 3.5Å
240I44.1Very low46.1Very low144 Ų144149.9 Ų149.974%0.73877%0.766SS**  trans-68.4115.4169.9-64.9173.4000105.9K238K238-I240 PolarHBondContact O-N 3.15Å
241S46Very low46.7Very low93 Ų93152.3 Ų152.365%0.6578%0.775SS**  trans-42.2137.4176.245.50000113.7P239 S243P239-S241 PolarHBondContact O-N 3.5Å; S241-S243 VanDerWaalsContact C-N 3.33Å; S241-S243 PolarHBondContact O-N 2.87Å
242N38.3Very low47Very low148 Ų148146.1 Ų146.179%0.79177%0.765SS**SBendtrans-55.474.4176.8-64.3-33.3000114.4
243S47Very low47.9Very low103 Ų103143.4 Ų143.472%0.7277%0.767SS**  trans-125.47.5171.393.30000115.3S241S241-S243 VanDerWaalsContact C-N 3.33Å; S241-S243 PolarHBondContact O-N 2.87Å
244L46.5Very low48.9Very low140 Ų140138.9 Ų138.973%0.73376%0.757SS**  trans-108.217.9175.2-77.3167.2000113.5K246 I247L244-K246 PolarHBondContact O-N 3.26Å; L244-I247 HydrophobicContact CD2-CD1 4.35Å
245Q45.9Very low50Low162 Ų162142.1 Ų142.176%0.75776%0.76SS**THydrogen-bonded Turntrans-77.418.9-172.8-131177.27.800115.1
246K46.9Very low51.2Low199 Ų199139.7 Ų139.787%0.86576%0.758SS**THydrogen-bonded Turntrans-147.754.5179.2-65.4-170.3-179.7-1780112.5L244L244-K246 PolarHBondContact O-N 3.26Å
247I48.7Very low52.6Low151 Ų151138.5 Ų138.577%0.77474%0.742SS**  trans-98.795.1156.3-45.6180000106.7L244L244-I247 HydrophobicContact CD2-CD1 4.35Å
248S46.5Very low53.6Low94 Ų94139 Ų13966%0.65773%0.734SS**  trans-55.3130.6-174.4-170.60000113.3
249K54.1Low54.7Low182 Ų182134.4 Ų134.479%0.79172%0.723SS**  trans4998.4144.7-58.9178.9-176.3-177.30116.1K251K249-K251 PolarHBondContact O-N 3.34Å
250S56.7Low56.1Low124 Ų124137.6 Ų137.687%0.86772%0.724SS**  trans-45107.4156.249.60000110.2S252S250-S252 PolarHBondContact O-N 3.07Å; S250-S252 VanDerWaalsContact O-N 3.09Å
251K60.6Low57.6Low195 Ų195137.4 Ų137.485%0.84871%0.714SS**  trans-66.7107.4168.1-68.4-173.2178.1-175.90106.9K249 T253K249-K251 PolarHBondContact O-N 3.34Å; K251-T253 PolarHBondContact O-N 2.84Å; K251-T253 VanDerWaalsContact O-N 3.11Å
252S56.9Low59.2Low91 Ų91135.6 Ų135.664%0.63670%0.702SS**  trans-56.6113.3166.1164.20000107.4S250 T254S250-S252 PolarHBondContact O-N 3.07Å; S250-S252 VanDerWaalsContact O-N 3.09Å; S252-T254 VanDerWaalsContact C-N 3.33Å; S252-T254 PolarHBondContact O-N 3.24Å; S252-T254 PolarHBondContact O-OG1 3.1Å
253T60.9Low61.1Low114 Ų114134.7 Ų134.770%0.69970%0.696SS**  trans-68.593.7171.650.10000108.5K251 D257K251-T253 PolarHBondContact O-N 2.84Å; K251-T253 VanDerWaalsContact O-N 3.11Å; T253-D257 VanDerWaalsContact CA-OD2 3.31Å; T253-D257 WeakPolarHBondContact CA-OD2 3.33Å
254T64.8Low62.5Low76 Ų76137.2 Ų137.247%0.46670%0.697SS.*  trans-79.1157.4169.36.20000109.6S252 Q256 D257S252-T254 VanDerWaalsContact C-N 3.33Å; S252-T254 PolarHBondContact O-N 3.24Å; S252-T254 PolarHBondContact O-OG1 3.1Å; T254-Q256 PolarHBondContact O-N 3.47Å; T254-D257 PolarHBondContact N-OD2 3.12Å; T254-D257 WeakPolarHBondContact O-CB 3.42Å; T254-D257 PolarHBondContact O-N 3Å; T254-D257 PolarHBondContact OG1-OD2 3.27Å; T254-D257 VanDerWaalsContact OG1-OD2 3.1Å
255Q61.5Low64.1Low180 Ų180134.6 Ų134.684%0.84168%0.681SS**G310 helixtrans-58.6-14.6179.1-155.5175.99.500113.6D257Q255-D257 VanDerWaalsContact C-N 3.35Å
256Q67.3Low65.7Low176 Ų176131.2 Ų131.282%0.82267%0.667SS**G310 helixtrans-78.1-15.1173.4-64.2-172.9-14.400113.9T254 F258T254-Q256 PolarHBondContact O-N 3.47Å; Q256-F258 PolarHBondContact O-N 2.86Å
257D69.5Low67.1Low93 Ų93128.4 Ų128.450%0.49766%0.655SS.*G310 helixtrans-82.3-2.3-179.4-62.1-47.7000113.1T253 T254 Q255T253-D257 VanDerWaalsContact CA-OD2 3.31Å; T253-D257 WeakPolarHBondContact CA-OD2 3.33Å; T254-D257 PolarHBondContact N-OD2 3.12Å; T254-D257 WeakPolarHBondContact O-CB 3.42Å; T254-D257 PolarHBondContact O-N 3Å; T254-D257 PolarHBondContact OG1-OD2 3.27Å; T254-D257 VanDerWaalsContact OG1-OD2 3.1Å; Q255-D257 VanDerWaalsContact C-N 3.35Å
258F66.9Low68.3Low139 Ų139127.9 Ų127.961%0.6165%0.65SS**SBendtrans-90.9131.5173.6-66.5-81.9000110.6Q256 K260Q256-F258 PolarHBondContact O-N 2.86Å; F258-K260 PolarHBondContact O-N 2.97Å; F258-K260 VanDerWaalsContact O-N 3.14Å
259P74.8Confident69.2Low87 Ų87128.5 Ų128.557%0.56565%0.652SS**  trans-54.7121.2169.8-21.230.8000109.9Y261P259-Y261 HydrophobicContact CB-CE1 4.32Å; P259-Y261 HydrophobicContact CB-CE2 4.08Å; P259-Y261 WeakPolarHBondContact O-CD2 3.39Å; P259-Y261 PolarHBondContact O-N 3.18Å; P259-Y261 VanDerWaalsContact O-N 3.09Å
260K74.8Confident69.5Low199 Ų199130.3 Ų130.387%0.86565%0.654SS**  trans-76.395.9171.9-72.8-177-178.9177.30108.2F258F258-K260 PolarHBondContact O-N 2.97Å; F258-K260 VanDerWaalsContact O-N 3.14Å
261Y74.9Confident69.5Low139 Ų139131.7 Ų131.755%0.54565%0.647SS.*  trans-71135.5171.8-61.8-72.1000110.6P259 E265 L266P259-Y261 HydrophobicContact CB-CE1 4.32Å; P259-Y261 HydrophobicContact CB-CE2 4.08Å; P259-Y261 WeakPolarHBondContact O-CD2 3.39Å; P259-Y261 PolarHBondContact O-N 3.18Å; P259-Y261 VanDerWaalsContact O-N 3.09Å; Y261-E265 WeakPolarHBondContact CA-OE2 3.5Å; Y261-E265 HydrophobicContact CD1-CB 4.33Å; Y261-L266 HydrophobicContact CD2-CD2 4.35Å; Y261-L266 HydrophobicContact CG-CD2 4.34Å
262S79.1Confident69.1Low55 Ų55133.4 Ų133.439%0.38565%0.648SS.*  trans-65.9156.1168.973.30000110.4Q264 E265 L266S262-Q264 PolarHBondContact O-N 3.36Å; S262-Q264 VanDerWaalsContact O-N 3.09Å; S262-E265 PolarHBondContact N-OE2 3.28Å; S262-E265 PolarHBondContact O-N 3.22Å; S262-E265 VanDerWaalsContact O-N 3.09Å; S262-E265 WeakPolarHBondContact OG-CG 3.5Å; S262-E265 PolarHBondContact OG-N 3.26Å; S262-E265 PolarHBondContact OG-OE2 3Å; S262-L266 PolarHBondContact O-N 3.43Å; S262-L266 VanDerWaalsContact O-N 3.11Å
263L78.1Confident68.7Low129 Ų129138.8 Ų138.868%0.67565%0.654SS**Hα-helixtrans-59.2-25.5178.5-150.4147000111.8K267L263-K267 HydrophobicContact CD2-CD 4.39Å; L263-K267 WeakPolarHBondContact O-CG 3.43Å; L263-K267 PolarHBondContact O-N 3.29Å
264Q77.8Confident68.2Low156 Ų156137.2 Ų137.273%0.72965%0.648SS**Hα-helixtrans-74.5-42.9175.7-170.8166.2-8.200112.4S262 L266 K267 E268S262-Q264 PolarHBondContact O-N 3.36Å; S262-Q264 VanDerWaalsContact O-N 3.09Å; Q264-L266 VanDerWaalsContact C-N 3.33Å; Q264-L266 PolarHBondContact O-N 3.15Å; Q264-K267 WeakPolarHBondContact O-CB 3.34Å; Q264-K267 PolarHBondContact O-N 3.45Å; Q264-K267 VanDerWaalsContact O-N 3.15Å; Q264-E268 PolarHBondContact O-N 3.26Å
265E79.6Confident67.4Low86 Ų86142.7 Ų142.740%0.40266%0.662SS.*Hα-helixtrans-63.8-38175.3-71167.5155.600111.8Y261 S262 K267 E268 C269Y261-E265 WeakPolarHBondContact CA-OE2 3.5Å; Y261-E265 HydrophobicContact CD1-CB 4.33Å; S262-E265 PolarHBondContact N-OE2 3.28Å; S262-E265 PolarHBondContact O-N 3.22Å; S262-E265 VanDerWaalsContact O-N 3.09Å; S262-E265 WeakPolarHBondContact OG-CG 3.5Å; S262-E265 PolarHBondContact OG-N 3.26Å; S262-E265 PolarHBondContact OG-OE2 3Å; E265-K267 VanDerWaalsContact C-N 3.29Å; E265-K267 PolarHBondContact O-N 3.11Å; E265-E268 PolarHBondContact O-N 3.09Å; E265-C269 PolarHBondContact O-N 3.09Å; E265-C269 PolarHBondContact O-SG 3.07Å; E265-C269 VanDerWaalsContact O-SG 3.38Å
266L79.3Confident67Low90 Ų90142.3 Ų142.347%0.47166%0.66SS.*Hα-helixtrans-65-34174.8-68.5176.9000112.4Y261 S262 Q264 R270Y261-L266 HydrophobicContact CD2-CD2 4.35Å; Y261-L266 HydrophobicContact CG-CD2 4.34Å; S262-L266 PolarHBondContact O-N 3.43Å; S262-L266 VanDerWaalsContact O-N 3.11Å; Q264-L266 VanDerWaalsContact C-N 3.33Å; Q264-L266 PolarHBondContact O-N 3.15Å; L266-R270 PolarHBondContact O-N 3.46Å
267K76.9Confident66.1Low141 Ų141136.3 Ų136.361%0.61365%0.645SS**Hα-helixtrans-68.8-42173.6-77.8179.2176.3-178.20111.3L263 Q264 E265 R270 Q271L263-K267 HydrophobicContact CD2-CD 4.39Å; L263-K267 WeakPolarHBondContact O-CG 3.43Å; L263-K267 PolarHBondContact O-N 3.29Å; Q264-K267 WeakPolarHBondContact O-CB 3.34Å; Q264-K267 PolarHBondContact O-N 3.45Å; Q264-K267 VanDerWaalsContact O-N 3.15Å; E265-K267 VanDerWaalsContact C-N 3.29Å; E265-K267 PolarHBondContact O-N 3.11Å; K267-R270 PolarHBondContact O-N 3.45Å; K267-Q271 PolarHBondContact O-N 3.25Å
268E73.8Confident65Low140 Ų140138.8 Ų138.865%0.65466%0.658SS**Hα-helixtrans-64.5-40.1177.1-168.9176.4174.700112.1Q264 E265 R270 Q271Q264-E268 PolarHBondContact O-N 3.26Å; E265-E268 PolarHBondContact O-N 3.09Å; E268-R270 VanDerWaalsContact C-N 3.29Å; E268-R270 PolarHBondContact O-N 3.48Å; E268-Q271 PolarHBondContact O-N 2.8Å
269C65.4Low64.4Low106 Ų106142.2 Ų142.272%0.71667%0.673SS**Hα-helixtrans-63.7-31.9174.4-740000113.3E265E265-C269 PolarHBondContact O-N 3.09Å; E265-C269 PolarHBondContact O-SG 3.07Å; E265-C269 VanDerWaalsContact O-SG 3.38Å
270R60.2Low63.4Low221 Ų221146.1 Ų146.183%0.83468%0.684SS**Hα-helixtrans-80.9-24175.1-78.5-172.5-179.3-164.61.3113L266 K267 E268 R272L266-R270 PolarHBondContact O-N 3.46Å; K267-R270 PolarHBondContact O-N 3.45Å; E268-R270 VanDerWaalsContact C-N 3.29Å; E268-R270 PolarHBondContact O-N 3.48Å; R270-R272 VanDerWaalsContact C-N 3.29Å; R270-R272 PolarHBondContact O-N 3.31Å
271Q57.5Low62.4Low152 Ų152141.7 Ų141.771%0.7168%0.678SS**SBendtrans-72.893.4178.3-1541552500107.3K267 E268 R273K267-Q271 PolarHBondContact O-N 3.25Å; E268-Q271 PolarHBondContact O-N 2.8Å; Q271-R273 PolarHBondContact O-N 2.98Å
272R50.7Low61.5Low231 Ų231142 Ų14287%0.87269%0.688SS**  trans-32.1115.4-179.4-70.6-173.8170.5172.1-2.3109.2R270 S274R270-R272 VanDerWaalsContact C-N 3.29Å; R270-R272 PolarHBondContact O-N 3.31Å; R272-S274 PolarHBondContact O-N 3.31Å
273R49.6Very low60.5Low204 Ų204148.2 Ų148.277%0.7771%0.711SS**  trans-52.698.7154.4-71.6-175.8-169.1178.73.4104.7Q271 Y275Q271-R273 PolarHBondContact O-N 2.98Å; R273-Y275 HydrophobicContact CB-CD2 4.06Å; R273-Y275 HydrophobicContact CB-CE2 4.03Å; R273-Y275 WeakPolarHBondContact O-CD2 3.3Å; R273-Y275 PolarHBondContact O-N 3.46Å
274S49.9Very low59.2Low82 Ų82151.6 Ų151.657%0.57372%0.715SS**  trans-60.695.5165.6-172.10000103.9R272 H276R272-S274 PolarHBondContact O-N 3.31Å; S274-H276 PolarHBondContact O-N 3.48Å; S274-H276 PolarHBondContact OG-CD2 3Å; S274-H276 VanDerWaalsContact OG-CD2 3.27Å; S274-H276 PolarHBondContact OG-NE2 3.33Å; S274-H276 VanDerWaalsContact OG-NE2 3.12Å
275Y47.9Very low58.2Low190 Ų190149.2 Ų149.275%0.74571%0.713SS**  trans-68.879.2174.7-91-88.7000107R273 G277R273-Y275 HydrophobicContact CB-CD2 4.06Å; R273-Y275 HydrophobicContact CB-CE2 4.03Å; R273-Y275 WeakPolarHBondContact O-CD2 3.3Å; R273-Y275 PolarHBondContact O-N 3.46Å; Y275-G277 PolarHBondContact O-N 2.95Å
276H52.8Low56.6Low173 Ų173153.5 Ų153.580%0.80173%0.731SS**  trans-82.989.4153.5-67.6-64.4000106S274S274-H276 PolarHBondContact O-N 3.48Å; S274-H276 PolarHBondContact OG-CD2 3Å; S274-H276 VanDerWaalsContact OG-CD2 3.27Å; S274-H276 PolarHBondContact OG-NE2 3.33Å; S274-H276 VanDerWaalsContact OG-NE2 3.12Å
277G48.6Very low54.9Low50 Ų50153.8 Ų153.852%0.51574%0.74SS.*  trans175.597.6-179.400000114.6Y275Y275-G277 PolarHBondContact O-N 2.95Å
278N46.1Very low53.5Low145 Ų145155.4 Ų155.478%0.77575%0.75SS**  trans75.6111.7157.7-56.5-5.3000116.6E280N278-E280 PolarHBondContact O-N 2.81Å
279K54.2Low52.2Low211 Ų211154.9 Ų154.992%0.91776%0.756SS**  trans-68.930.9170.5-61.2-176.9177.3-1790113.2S281K279-S281 PolarHBondContact O-N 2.81Å; K279-S281 VanDerWaalsContact O-N 3.11Å
280E54.6Low51.1Low169 Ų169157.4 Ų157.479%0.7976%0.763SS**  trans-85.964.9160.6-72.5178.4-177.300106.5N278 L282N278-E280 PolarHBondContact O-N 2.81Å; E280-L282 VanDerWaalsContact C-N 3.34Å; E280-L282 PolarHBondContact O-N 3.12Å
281S52.6Low50.2Low106 Ų106150.1 Ų150.174%0.74176%0.756SS**  trans-58105.8164.5-77.40000106.1K279 E283K279-S281 PolarHBondContact O-N 2.81Å; K279-S281 VanDerWaalsContact O-N 3.11Å; S281-E283 PolarHBondContact O-N 3.06Å
282L56.6Low49.6Very low145 Ų145148.3 Ų148.376%0.75976%0.76SS**  trans-47.8117.8155-91.495.2000105.8E280 W284E280-L282 VanDerWaalsContact C-N 3.34Å; E280-L282 PolarHBondContact O-N 3.12Å; L282-W284 PolarHBondContact O-N 3.37Å
283E57.8Low48.9Very low186 Ų186143.8 Ų143.887%0.86976%0.759SS**  trans-59.684.7164.9-75.4177.9170.400106.9S281S281-E283 PolarHBondContact O-N 3.06Å
284W51.6Low48.7Very low200 Ų200143.9 Ų143.976%0.75877%0.765SS**  trans-56.9130.7153.8-82.294.3000105.7L282 F286L282-W284 PolarHBondContact O-N 3.37Å; W284-F286 PolarHBondContact O-N 2.89Å
285P55.7Low48.6Very low106 Ų106148 Ų14869%0.68878%0.775SS**SBendtrans-73.131.4-169.829.9-35.6000113.6
286F46.2Very low48.6Very low176 Ų176146.6 Ų146.677%0.77278%0.775SS**  trans-125.269.9175.8-61.8-73.3000108.8W284 E288W284-F286 PolarHBondContact O-N 2.89Å; F286-E288 PolarHBondContact O-N 2.9Å
287S45.1Very low48Very low96 Ų96145.9 Ų145.967%0.67178%0.777SS**  trans-73.4113.4164.2-33.10000107.8T289S287-T289 PolarHBondContact O-N 3.4Å
288E45.9Very low47.9Very low175 Ų175151.8 Ų151.882%0.81879%0.791SS**  trans-6396.9168.3-70.117516300109F286 N290F286-E288 PolarHBondContact O-N 2.9Å; E288-N290 PolarHBondContact O-N 3.4Å
289T47.3Very low48Very low128 Ų128153.2 Ų153.279%0.78580%0.798SS**  trans-77.292.5172.654.60000109.1S287 G291S287-T289 PolarHBondContact O-N 3.4Å; T289-G291 PolarHBondContact O-N 3.5Å
290N42.3Very low47.3Very low160 Ų160147.3 Ų147.386%0.85680%0.797SS**  trans-66.9101.7155.4-62.9-44.3000107.2E288E288-N290 PolarHBondContact O-N 3.4Å
291G41.6Very low46.8Very low67 Ų67142.6 Ų142.669%0.69179%0.794SS**  trans-156.2113.8-174.200000111.7T289T289-G291 PolarHBondContact O-N 3.5Å
292S45.2Very low46.3Very low114 Ų114142.7 Ų142.780%0.79780%0.795SS**  trans-46.9134.5-179.555.20000114.8K294S292-K294 PolarHBondContact O-N 2.97Å
293T36.1Very low45.8Very low137 Ų137143.2 Ų143.284%0.8479%0.793SS**  trans-47.3116.3158420000112
294K44.6Very low45.4Very low205 Ų205144.5 Ų144.589%0.89179%0.791SS**  trans-145.2145.2139-73.2-157.2176.6-177.10109S292S292-K294 PolarHBondContact O-N 2.97Å
295E48.2Very low45.4Very low168 Ų168142.9 Ų142.979%0.78579%0.792SS**  trans-57.7160.6-166.4-77158.4157.800115.6
296E46.7Very low45.2Very low162 Ų162149.2 Ų149.276%0.75780%0.802SS**  trans61.297.5145.3-68.6165-165.200116.4
297D41.6Very low45.2Very low157 Ų157146.4 Ų146.484%0.8480%0.804SS**  -164.7136.1105.2-105.6-25.1000112.1
298E45.8Very low45.2Very low174 Ų174144.9 Ų144.981%0.81379%0.793SS**  trans-52.6133.5173.3-59.7172.1143.600110.4
299L49Very low45.5Very low175 Ų175141.4 Ų141.492%0.91680%0.795SS**  trans166108.6139.3-86.3154.1000110.5G301L299-G301 PolarHBondContact O-N 2.96Å; L299-G301 VanDerWaalsContact O-N 3.15Å
300G38.7Very low45.9Very low87 Ų87139.4 Ų139.490%0.89778%0.782SS**  trans78.91.3140.100000120.4S302G300-S302 PolarHBondContact O-N 3.41Å
301G44Very low46.4Very low71 Ų71140.1 Ų140.173%0.73278%0.784SS**  trans-78.5103.4178.300000112.5L299 H303L299-G301 PolarHBondContact O-N 2.96Å; L299-G301 VanDerWaalsContact O-N 3.15Å; G301-H303 PolarHBondContact O-N 2.91Å
302S42.7Very low47.2Very low108 Ų108138.2 Ų138.276%0.75577%0.765SS**  trans-57.296.8171.658.70000110.3G300 Y304G300-S302 PolarHBondContact O-N 3.41Å; S302-Y304 PolarHBondContact O-N 3.38Å; S302-Y304 VanDerWaalsContact O-N 3.16Å
303H45.8Very low47.9Very low155 Ų155138.1 Ų138.172%0.71875%0.752SS**  trans-68.5110.8176.4-161.967.4000107.6G301 H305G301-H303 PolarHBondContact O-N 2.91Å; H303-H305 VanDerWaalsContact C-N 3.32Å; H303-H305 PolarHBondContact O-N 3.22Å
304Y49.8Very low49.1Very low214 Ų214133.7 Ų133.784%0.83973%0.734SS**  trans-56.7103.8163.7-82.4-88.5000106.7S302 R306S302-Y304 PolarHBondContact O-N 3.38Å; S302-Y304 VanDerWaalsContact O-N 3.16Å; Y304-R306 PolarHBondContact O-N 3.11Å
305H50.7Low50.2Low165 Ų165130.1 Ų130.176%0.76472%0.718SS**  trans-56.8106.3167.9-78.6-66.3000106.4H303 S307H303-H305 VanDerWaalsContact C-N 3.32Å; H303-H305 PolarHBondContact O-N 3.22Å; H305-S307 VanDerWaalsContact C-N 3.34Å; H305-S307 PolarHBondContact O-N 3.05Å
306R51.4Low51.3Low240 Ų240128 Ų12891%0.90671%0.711SS**  trans-48110.6157.6-103.2-179.3163.2175.3-3.3104.8Y304 S308Y304-R306 PolarHBondContact O-N 3.11Å; R306-S308 PolarHBondContact O-N 3.23Å
307S45.9Very low52.3Low116 Ų116128.2 Ų128.281%0.81171%0.713SS**  trans-45111178-42.20000106.4H305 A309H305-S307 VanDerWaalsContact C-N 3.34Å; H305-S307 PolarHBondContact O-N 3.05Å; S307-A309 PolarHBondContact O-N 3.13Å; S307-A309 VanDerWaalsContact O-N 3.16Å
308S46.8Very low53.9Low64 Ų64128.9 Ų128.945%0.44871%0.708SS.*  trans-50.7131.4167.652.10000104.7R306 V310 Q313R306-S308 PolarHBondContact O-N 3.23Å; S308-V310 CarbonylContact O-C 3.6Å; S308-V310 PolarHBondContact O-N 3.08Å; S308-Q313 PolarHBondContact OG-OE1 3.2Å
309A52.3Low55.2Low103 Ų103127.7 Ų127.785%0.85170%0.701SS**SBendtrans-60.37.5-179.200000113.1S307 I311S307-A309 PolarHBondContact O-N 3.13Å; S307-A309 VanDerWaalsContact O-N 3.16Å; A309-I311 PolarHBondContact O-N 3.25Å
310V55.5Low56.3Low86 Ų86120.4 Ų120.452%0.52167%0.667SS.*  trans-7775.2162.5-165.90000108.6S308 G312 Q313S308-V310 CarbonylContact O-C 3.6Å; S308-V310 PolarHBondContact O-N 3.08Å; V310-G312 PolarHBondContact O-N 3.22Å; V310-Q313 HydrophobicContact CB-CB 4.11Å; V310-Q313 HydrophobicContact CG1-CB 3.86Å; V310-Q313 PolarHBondContact O-N 2.97Å; V310-Q313 VanDerWaalsContact O-N 3.13Å
311I53Low57.6Low174 Ų174121.8 Ų121.889%0.89266%0.66SS**THydrogen-bonded Turntrans-50.1111160.2-63170.3000106.4A309A309-I311 PolarHBondContact O-N 3.25Å
312G56.6Low58.4Low28 Ų28128.5 Ų128.529%0.28967%0.669SS.*THydrogen-bonded Turntrans110.3-0.8177.800000116.8V310 G314 F315 L316V310-G312 PolarHBondContact O-N 3.22Å; G312-G314 PolarHBondContact O-N 3.03Å; G312-F315 CarbonylContact O-C 3.38Å; G312-F315 WeakPolarHBondContact O-CA 3.33Å; G312-F315 WeakPolarHBondContact O-CB 3.5Å; G312-F315 PolarHBondContact O-N 2.98Å; G312-L316 PolarHBondContact O-N 3.47Å
313Q61.5Low59Low111 Ų111126.7 Ų126.752%0.51966%0.657SS.*Hα-helixtrans-61.5-46.4175.3-1681690.300111.9S308 V310 F315 L316 E317S308-Q313 PolarHBondContact OG-OE1 3.2Å; V310-Q313 HydrophobicContact CB-CB 4.11Å; V310-Q313 HydrophobicContact CG1-CB 3.86Å; V310-Q313 PolarHBondContact O-N 2.97Å; V310-Q313 VanDerWaalsContact O-N 3.13Å; Q313-F315 PolarHBondContact O-N 3.26Å; Q313-L316 PolarHBondContact O-N 3.17Å; Q313-E317 PolarHBondContact O-N 3Å
314G60.7Low59.2Low45 Ų45126 Ų12646%0.46467%0.666SS.*Hα-helixtrans-68.1-20.2173.100000114.1G312 K318G312-G314 PolarHBondContact O-N 3.03Å; G314-K318 WeakPolarHBondContact O-CB 3.41Å; G314-K318 WeakPolarHBondContact O-CG 3.47Å; G314-K318 PolarHBondContact O-N 3.49Å
315F68Low59.4Low130 Ų130120.3 Ų120.357%0.5766%0.658SS**Hα-helixtrans-76.6-44.9172.8-179.2-91.2000111G312 Q313 E317 K318 F319G312-F315 CarbonylContact O-C 3.38Å; G312-F315 WeakPolarHBondContact O-CA 3.33Å; G312-F315 WeakPolarHBondContact O-CB 3.5Å; G312-F315 PolarHBondContact O-N 2.98Å; Q313-F315 PolarHBondContact O-N 3.26Å; F315-E317 VanDerWaalsContact C-N 3.28Å; F315-E317 PolarHBondContact O-N 3.44Å; F315-K318 PolarHBondContact O-N 2.89Å; F315-F319 AromaticContact CD2-CD2 3.52Å; F315-F319 HydrophobicContact CD2-CD2 3.52Å; F315-F319 HydrophobicContact CD2-CE2 4.08Å; F315-F319 HydrophobicContact CD2-CG 4.39Å; F315-F319 HydrophobicContact CE1-CB 4.3Å; F315-F319 HydrophobicContact CE2-CB 4.3Å; F315-F319 AromaticContact CE2-CD2 3.63Å; F315-F319 HydrophobicContact CE2-CD2 3.63Å; F315-F319 HydrophobicContact CE2-CE2 4.22Å; F315-F319 HydrophobicContact CE2-CG 4.13Å; F315-F319 HydrophobicContact CG-CD2 4.14Å; F315-F319 HydrophobicContact CZ-CB 4.14Å; F315-F319 HydrophobicContact CZ-CD2 4.32Å; F315-F319 HydrophobicContact CZ-CG 4.43Å; F315-F319 WeakPolarHBondContact O-CA 3.4Å; F315-F319 WeakPolarHBondContact O-CB 3.29Å; F315-F319 PolarHBondContact O-N 3.3Å
316L70.8Confident59.5Low122 Ų122119.7 Ų119.764%0.63966%0.659SS**Hα-helixtrans-63.7-33.8172.8-98.5102.3000112.1G312 Q313 G320G312-L316 PolarHBondContact O-N 3.47Å; Q313-L316 PolarHBondContact O-N 3.17Å; L316-G320 WeakPolarHBondContact O-CA 3.38Å; L316-G320 PolarHBondContact O-N 3.15Å
317E67.6Low59.6Low167 Ų167116.1 Ų116.178%0.7866%0.658SS**Hα-helixtrans-69.6-37176.9-167.4173.8-171.500112.4Q313 F315Q313-E317 PolarHBondContact O-N 3Å; F315-E317 VanDerWaalsContact C-N 3.28Å; F315-E317 PolarHBondContact O-N 3.44Å
318K74.6Confident59.9Low172 Ų172120.2 Ų120.275%0.74866%0.662SS**Hα-helixtrans-85.4-33.1179.2-71.7-170.8178.8-167.10114.3G314 F315G314-K318 WeakPolarHBondContact O-CB 3.41Å; G314-K318 WeakPolarHBondContact O-CG 3.47Å; G314-K318 PolarHBondContact O-N 3.49Å; F315-K318 PolarHBondContact O-N 2.89Å
319F74.3Confident60Low149 Ų149126.5 Ų126.565%0.65468%0.681SS**Hα-helixtrans-129.7-8.2-168.9-57.3-76.2000114.1F315F315-F319 AromaticContact CD2-CD2 3.52Å; F315-F319 HydrophobicContact CD2-CD2 3.52Å; F315-F319 HydrophobicContact CD2-CE2 4.08Å; F315-F319 HydrophobicContact CD2-CG 4.39Å; F315-F319 HydrophobicContact CE1-CB 4.3Å; F315-F319 HydrophobicContact CE2-CB 4.3Å; F315-F319 AromaticContact CE2-CD2 3.63Å; F315-F319 HydrophobicContact CE2-CD2 3.63Å; F315-F319 HydrophobicContact CE2-CE2 4.22Å; F315-F319 HydrophobicContact CE2-CG 4.13Å; F315-F319 HydrophobicContact CG-CD2 4.14Å; F315-F319 HydrophobicContact CZ-CB 4.14Å; F315-F319 HydrophobicContact CZ-CD2 4.32Å; F315-F319 HydrophobicContact CZ-CG 4.43Å; F315-F319 WeakPolarHBondContact O-CA 3.4Å; F315-F319 WeakPolarHBondContact O-CB 3.29Å; F315-F319 PolarHBondContact O-N 3.3Å
320G70.6Confident59.5Low21 Ų21131.5 Ų131.522%0.21668%0.678CS.*SBendtrans-71.5158.9175.600000112L316 K322L316-G320 WeakPolarHBondContact O-CA 3.38Å; L316-G320 PolarHBondContact O-N 3.15Å; G320-K322 PolarHBondContact O-N 2.88Å
321P66.9Low59.2Low116 Ų116132.1 Ų132.175%0.75368%0.682SS**  trans-58.4128.9175.223.2-30.8000109.6S323P321-S323 PolarHBondContact O-N 2.99Å
322K60.8Low59Low212 Ų212130.7 Ų130.792%0.92268%0.676SS**  trans-66.678.4175.9-65179.9-179178.10109.7G320G320-K322 PolarHBondContact O-N 2.88Å
323S56Low58.6Low70 Ų70135.2 Ų135.249%0.4969%0.693SS.*  trans-79.1126.8171.848.90000109.2P321 S325P321-S323 PolarHBondContact O-N 2.99Å; S323-S325 PolarHBondContact O-N 3.01Å
324P49.5Very low58Low141 Ų141135.1 Ų135.192%0.91670%0.701SS**SBendtrans-70.618.5-175.3-1831.1000116.1
325S53.2Low57.5Low95 Ų95137.8 Ų137.866%0.66471%0.709SS**  trans-143.655.7-162.667.90000114.6S323S323-S325 PolarHBondContact O-N 3.01Å
326L54.2Low56.8Low152 Ų152136.7 Ų136.780%0.79671%0.713SS**  trans-128.65.4165.9-78174.2000114.7K328L326-K328 VanDerWaalsContact C-N 3.32Å; L326-K328 PolarHBondContact O-N 3.2Å
327N52.9Low56Low165 Ų165134.9 Ų134.988%0.88272%0.716SS**  trans-89.414.3179.8-64.3-9.1000114.4K329N327-K329 PolarHBondContact O-N 3.16Å
328K52.5Low55.2Low202 Ų202129.7 Ų129.788%0.87870%0.701SS**  trans-88.189.4169.2-76.7-172178.8179.30109.5L326 R330L326-K328 VanDerWaalsContact C-N 3.32Å; L326-K328 PolarHBondContact O-N 3.2Å; K328-R330 PolarHBondContact O-N 3.48Å
329K47.9Very low53.9Low196 Ų196124.6 Ų124.685%0.85269%0.688SS**  trans-27.892.9156.5-131.6177.4-177.2-178.10110.9N327 T331N327-K329 PolarHBondContact O-N 3.16Å; K329-T331 PolarHBondContact O-N 3.4Å
330R42.2Very low52.8Low208 Ų208124.8 Ų124.879%0.78569%0.692SS**  trans-90.885159.1-95.3-168.8177.8171.61107K328 N332 D333K328-R330 PolarHBondContact O-N 3.48Å; R330-N332 PolarHBondContact O-N 2.93Å; R330-D333 IonicContact NH1-OD2 2.84Å
331T50.1Low52Low99 Ų99130.1 Ų130.161%0.60772%0.715SS**THydrogen-bonded Turntrans-60.7124.2151.147.50000106.3K329K329-T331 PolarHBondContact O-N 3.4Å
332N48.5Very low51.5Low144 Ų144134.3 Ų134.377%0.7772%0.716SS**THydrogen-bonded Turntrans116.615.2167.7-51-19.3000118.8R330 T334R330-N332 PolarHBondContact O-N 2.93Å; N332-T334 PolarHBondContact O-N 3.29Å
333D47.8Very low51.2Low122 Ų122131 Ų13165%0.65271%0.709SS**  trans-93.486.4165.2-72.9-23.7000110R330R330-D333 IonicContact NH1-OD2 2.84Å
334T49.6Very low51.2Low110 Ų110129.6 Ų129.668%0.67570%0.699SS**  trans-45.9137.1164.5-43.90000109.6N332 V336N332-T334 PolarHBondContact O-N 3.29Å; T334-V336 VanDerWaalsContact C-N 3.26Å; T334-V336 PolarHBondContact O-N 3.26Å
335P50.2Low51.8Low100 Ų100128.3 Ų128.365%0.64969%0.69SS**  trans-71.482.5177.929.9-34.6000110.3A337 A338P335-A337 PolarHBondContact O-N 3.03Å; P335-A338 PolarHBondContact O-N 2.93Å
336V53.6Low52.1Low108 Ų108133.4 Ų133.466%0.65570%0.697SS**Hα-helixtrans-67.3-15.7176.8174.30000111.8T334 S339T334-V336 VanDerWaalsContact C-N 3.26Å; T334-V336 PolarHBondContact O-N 3.26Å; V336-S339 PolarHBondContact O-OG 3Å
337A53.5Low52.2Low84 Ų84129.1 Ų129.169%0.69468%0.683SS**Hα-helixtrans-80.9-19.8178.600000114.6P335P335-A337 PolarHBondContact O-N 3.03Å
338A51Low52.3Low57 Ų57129.4 Ų129.447%0.47168%0.676SS.*Hα-helixtrans-87.8-20-176.300000113.7P335P335-A338 PolarHBondContact O-N 2.93Å
339S46.8Very low52.1Low66 Ų66128.6 Ų128.646%0.46268%0.676SS.*Hα-helixtrans-76.7-24.617857.10000112.9V336 L341 R342V336-S339 PolarHBondContact O-OG 3Å; S339-L341 VanDerWaalsContact C-N 3.33Å; S339-L341 PolarHBondContact O-N 3.19Å; S339-R342 PolarHBondContact O-N 3.43Å
340M50.5Low51.9Low152 Ų152126.7 Ų126.775%0.74971%0.712SS**THydrogen-bonded Turntrans-74.2-22.9177.8-60.5-154.785.700113.3
341L54.6Low52.4Low134 Ų134122.7 Ų122.770%0.70271%0.708SS**THydrogen-bonded Turntrans-81.3-19.7176.9-72.3169.2000113.2S339 N343S339-L341 VanDerWaalsContact C-N 3.33Å; S339-L341 PolarHBondContact O-N 3.19Å; L341-N343 VanDerWaalsContact C-N 3.29Å
342R55.6Low52.6Low203 Ų203123.9 Ų123.977%0.76671%0.713SS**THydrogen-bonded Turntrans-77.6-14175-73.2-173.9174.2-172-2.4113.7S339S339-R342 PolarHBondContact O-N 3.43Å
343N56Low52.8Low143 Ų143122.8 Ų122.877%0.76571%0.71SS**THydrogen-bonded Turntrans-100.313.9178-65.2-11.3000112.9L341L341-N343 VanDerWaalsContact C-N 3.29Å
344S54.4Low53.1Low41 Ų41122.8 Ų122.829%0.28771%0.714SS.*  trans-75130.3169.7165.30000109.5Y346 A347S344-Y346 PolarHBondContact O-N 3.21Å; S344-Y346 PolarHBondContact OG-N 3.41Å; S344-A347 PolarHBondContact O-N 3.41Å
345P62.7Low53.3Low113 Ų113123.6 Ų123.673%0.73472%0.716SS**THydrogen-bonded Turntrans-61.1-8.9176.224.6-32.4000113.5
346Y59.7Low53.5Low203 Ų203125.2 Ų125.280%0.79672%0.72SS**THydrogen-bonded Turntrans-93-0.6177.4-65.9-82.4000114.5S344 F348S344-Y346 PolarHBondContact O-N 3.21Å; S344-Y346 PolarHBondContact OG-N 3.41Å; Y346-F348 VanDerWaalsContact C-N 3.29Å; Y346-F348 PolarHBondContact O-N 3.45Å
347A57.1Low53.5Low62 Ų62126.4 Ų126.451%0.51273%0.725SS.*SBendtrans-82.5-0.9-179.900000114.3S344S344-A347 PolarHBondContact O-N 3.41Å
348F53.3Low53.5Low170 Ų170129.7 Ų129.775%0.74673%0.728SS**  trans-103.447.7-174.4-82.2-84.6000113.6Y346Y346-F348 VanDerWaalsContact C-N 3.29Å; Y346-F348 PolarHBondContact O-N 3.45Å
349H49.3Very low53.7Low186 Ų186135.8 Ų135.886%0.86175%0.749SS**  trans-139.693.8165.2-69-47.7000110
350G44.3Very low54.3Low156 Ų156142.1 Ų142.1100%1.60878%0.775SS**  trans-153.70172.100000109

Retrieved 350 of 350 residues in 480.2 ms (Link to these results)