A0A077ZEY8_TRITR Loading...

Bcl 2:adenovirus E1B 19K interacting protein 3

AlphaFold DB , UniProt , Accession A0A077ZEY8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 206 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
1M42.8Very low44.6Very low232 Ų232149.2 Ų149.2100%1.14385%0.845SS**  088.90-59.3166.8102.900104.9
2S41.7Very low44.5Very low126 Ų126142.9 Ų142.988%0.88183%0.826SS**  61.2118.381.1-43.10000110.5
3G42.3Very low44.6Very low70 Ų70145.6 Ų145.672%0.72284%0.835SS**  cis-158.4-159.2-1.800000108.5
4I45Very low44.7Very low171 Ų171145.9 Ų145.988%0.87783%0.826SS**  cis-152.6176.6-1.7-114.3152.2000108.2
5T52Low44.8Very low124 Ų124143.9 Ų143.976%0.76182%0.821SS**  trans-108.5149.4-16568.40000114.5
6T50.7Low44.9Very low146 Ų146141.3 Ų141.390%0.89681%0.808SS**  trans-163.5127.2145.3-1.80000106.3
7G42.1Very low44.4Very low75 Ų75143.6 Ų143.677%0.77381%0.81SS**  93.3123.750.300000108
8R41.8Very low44.4Very low254 Ų254142.3 Ų142.396%0.95881%0.806SS**  cis-163.7151.131.1-164.9177.2-171.4162.60.3111.5
9Q43.6Very low43.9Very low174 Ų174144.9 Ų144.981%0.81381%0.81SS**  trans-92.8-166.1175.7-113.3-169.9-42.700111.1
10P47Very low43.8Very low93 Ų93145.2 Ų145.260%0.60481%0.81SS**  cis-138.2-159.7-39.134.7-12.9000112.9
11M41.4Very low43.6Very low176 Ų176147.4 Ų147.487%0.86781%0.814SS**  trans71.5149.3165.1-58.1-66.3-162.300116.8
12A43.4Very low43.4Very low74 Ų74145.2 Ų145.261%0.61280%0.801SS**  cis150.8123.6-17.900000104.9
13D46Very low43.2Very low178 Ų178144.3 Ų144.395%0.95279%0.791SS**  trans-171.1142.7153.5-97.2-27.8000110.8
14E45.6Very low43Very low150 Ų150149.9 Ų149.970%0.70180%0.797SS**  trans-89.8158.1176.1-105.8-86.813700109.7V16E14-V16 WeakPolarHBondContact OE2-CG2 3.41Å; E14-V16 PolarHBondContact OE2-N 2.88Å
15P46.6Very low42.7Very low116 Ų116150.6 Ų150.675%0.75379%0.789SS**  -154.8144.382.938.2-17.5000119
16V47Very low42Very low101 Ų101151.1 Ų151.161%0.61279%0.787SS**  34.3131.6119.7-172.10000121.2E14E14-V16 WeakPolarHBondContact OE2-CG2 3.41Å; E14-V16 PolarHBondContact OE2-N 2.88Å
17E35.3Very low41.4Very low182 Ų182152.4 Ų152.485%0.8579%0.787SS**  trans60.4120.5160.8-77.8178.6116.100120.3
18V45.2Very low41.2Very low120 Ų120151.5 Ų151.573%0.72778%0.777SS**  -157.7142101.8160.70000108.3D20V18-D20 WeakPolarHBondContact CG1-OD2 3.26Å
19Q34.1Very low41.4Very low192 Ų192151.7 Ų151.790%0.89778%0.778SS**  trans-85.8120165-71.2176.2-34.500109.2
20D43.2Very low41.8Very low149 Ų149151.3 Ų151.380%0.79778%0.78SS**  trans-125109.7165.3-79.2-48.4000110.6V18V18-D20 WeakPolarHBondContact CG1-OD2 3.26Å
21E37.9Very low41.3Very low192 Ų192153.6 Ų153.690%0.89779%0.787SS**  trans-87.693.6174.4179.3-172.9136.400108.4
22E40Very low41.4Very low186 Ų186153.7 Ų153.787%0.86979%0.79SS**  trans-125114.2173.5-163.5149136.400114.3
23T36.2Very low41.2Very low108 Ų108155.5 Ų155.566%0.66379%0.794SS**  trans-70.5120.5174.551.10000111.8
24H39.4Very low40.9Very low187 Ų187152.6 Ų152.687%0.86678%0.783SS**  trans-106.899157.7-156.7-68.4000110.9
25R38.2Very low40.5Very low185 Ų185149.1 Ų149.170%0.69879%0.787SS**  trans-73.7159.4-179.7-68.7-169.4-171.2-166.93.8113.1
26D37Very low40Very low136 Ų136150.9 Ų150.973%0.72779%0.79SS**  trans46.786.6141.3-52.3-24.8000118.7G28D26-G28 PolarHBondContact O-N 3.41Å; D26-G28 VanDerWaalsContact O-N 3.13Å
27I38.3Very low39.7Very low173 Ų173150.7 Ų150.789%0.88779%0.793SS**  trans-83.963.7151.2-51.7177.6000108.1
28G38.7Very low39.8Very low55 Ų55151.7 Ų151.757%0.56780%0.798SS**PPolyproline II helixtrans-83.4141.6169.300000110.4D26D26-G28 PolarHBondContact O-N 3.41Å; D26-G28 VanDerWaalsContact O-N 3.13Å
29W45.9Very low39.6Very low259 Ų259151.5 Ų151.598%0.98180%0.8SS**PPolyproline II helixtrans-64.8137.6-179-71.580.8000111.4
30I51.1Low39.5Very low166 Ų166146.1 Ų146.185%0.85180%0.797SS**PPolyproline II helixtrans-62.1133.4-167.2-63.9162.7000112.2
31D37.3Very low39.3Very low140 Ų140144.7 Ų144.775%0.74980%0.799SS**PPolyproline II helixtrans-66.4140.2-179.5-116.3-33.1000113.7T33D31-T33 VanDerWaalsContact C-N 3.34Å; D31-T33 HydrophobicContact CB-CG2 4.42Å; D31-T33 PolarHBondContact O-N 3.32Å; D31-T33 VanDerWaalsContact O-N 3.07Å
32L43.6Very low39.4Very low178 Ų178141 Ų14193%0.93279%0.794SS**  trans-8374.3176-74.7160.8000110.5
33T39.1Very low40Very low113 Ų113140 Ų14069%0.69379%0.787SS**  trans-91.1147.7175.4510000113.1D31D31-T33 VanDerWaalsContact C-N 3.34Å; D31-T33 HydrophobicContact CB-CG2 4.42Å; D31-T33 PolarHBondContact O-N 3.32Å; D31-T33 VanDerWaalsContact O-N 3.07Å
34T39.1Very low40.6Very low117 Ų117140.6 Ų140.672%0.71879%0.791SS**  trans77.562.6170.8-250000116D36T34-D36 VanDerWaalsContact C-N 3.26Å; T34-D36 PolarHBondContact O-N 3.44Å
35G37.1Very low41.2Very low76 Ų76137.9 Ų137.978%0.78478%0.782SS**  trans-82.849.3167.700000114.4S37G35-S37 VanDerWaalsContact C-N 3.3Å; G35-S37 PolarHBondContact O-N 3.35Å; G35-S37 VanDerWaalsContact O-N 3.08Å
36D36.8Very low41.4Very low153 Ų153137 Ų13782%0.81879%0.79SS**  trans-81.273.9172.1-73.1-33.7000110.6T34T34-D36 VanDerWaalsContact C-N 3.26Å; T34-D36 PolarHBondContact O-N 3.44Å
37S40.7Very low42.3Very low98 Ų98135.7 Ų135.769%0.68579%0.787SS**  trans-151.5107.1162.373.40000112.5G35 C39G35-S37 VanDerWaalsContact C-N 3.3Å; G35-S37 PolarHBondContact O-N 3.35Å; G35-S37 VanDerWaalsContact O-N 3.08Å; S37-C39 PolarHBondContact O-N 3.49Å
38E36Very low42.5Very low202 Ų202133.7 Ų133.794%0.94478%0.778SS**  trans-63.399.9166.5-64.5169.2100.300110.2
39C42.2Very low43.4Very low116 Ų116135.8 Ų135.878%0.78478%0.784SS**  trans-143.393.3165.1-101.40000109.8S37 S41S37-C39 PolarHBondContact O-N 3.49Å; C39-S41 PolarHBondContact O-N 3.05Å
40G32.3Very low44Very low80 Ų80129.7 Ų129.783%0.82577%0.771SS**  trans-62.2129.5179.100000112
41S37.8Very low44.1Very low119 Ų119124.9 Ų124.983%0.83276%0.756SS**  trans-141.784.3162.5-78.50000108.2C39 F43C39-S41 PolarHBondContact O-N 3.05Å; S41-F43 PolarHBondContact O-N 3.41Å
42S40.2Very low45.1Very low115 Ų115121.6 Ų121.680%0.80474%0.741SS**  trans-67117.7170.3-178.20000108.7
43F53.1Low45.6Very low164 Ų164115.6 Ų115.672%0.71972%0.717SS**  trans-81.2118.2168.378-69.3000108.6S41 L45S41-F43 PolarHBondContact O-N 3.41Å; F43-L45 HydrophobicContact CD2-CG 4.04Å; F43-L45 HydrophobicContact CE2-CD1 3.69Å; F43-L45 HydrophobicContact CE2-CD2 4.31Å; F43-L45 HydrophobicContact CE2-CG 3.58Å; F43-L45 HydrophobicContact CZ-CD1 4.22Å; F43-L45 PolarHBondContact O-N 3.29Å
44T49.1Very low46.3Very low120 Ų120115.2 Ų115.274%0.73671%0.707SS**  trans-81.5107169.736.40000109L46T44-L46 PolarHBondContact O-N 3.38Å
45L50.8Low47.1Very low130 Ų130112.5 Ų112.568%0.68170%0.697SS**  trans-63.8104.1163.1-87.8164.2000108.6F43 T47F43-L45 HydrophobicContact CD2-CG 4.04Å; F43-L45 HydrophobicContact CE2-CD1 3.69Å; F43-L45 HydrophobicContact CE2-CD2 4.31Å; F43-L45 HydrophobicContact CE2-CG 3.58Å; F43-L45 HydrophobicContact CZ-CD1 4.22Å; F43-L45 PolarHBondContact O-N 3.29Å; L45-T47 VanDerWaalsContact C-N 3.32Å; L45-T47 PolarHBondContact O-N 3.46Å
46L43.7Very low48.1Very low168 Ų168115.1 Ų115.188%0.8869%0.688SS**  trans-62.296164.8-74.9166000108.1T44T44-L46 PolarHBondContact O-N 3.38Å
47T54.6Low48.8Very low107 Ų107114.9 Ų114.966%0.65668%0.683SS**  trans-73.9124.5167.638.80000108.9L45 S49L45-T47 VanDerWaalsContact C-N 3.32Å; L45-T47 PolarHBondContact O-N 3.46Å; T47-S49 PolarHBondContact O-N 3.16Å
48D42.5Very low49.4Very low131 Ų131118.8 Ų118.870%0.70168%0.682SS**  trans-51.3122.3-179.8-110-44.7000111N50 A51D48-N50 PolarHBondContact O-N 2.77Å; D48-A51 PolarHBondContact O-N 3.12Å
49S59.2Low50.3Low100 Ų100113.1 Ų113.170%0.69967%0.665SS**Hα-helixtrans-62.7-17-172.6-51.20000113.5T47T47-S49 PolarHBondContact O-N 3.16Å
50N57Low50.7Low131 Ų131112.1 Ų112.170%0.70166%0.659SS**Hα-helixtrans-75-31174.8-66.6-22.9000113.2D48 A53 E54D48-N50 PolarHBondContact O-N 2.77Å; N50-A53 PolarHBondContact O-N 3.31Å; N50-E54 PolarHBondContact O-N 2.76Å
51A53.8Low51.6Low65 Ų65112.6 Ų112.654%0.53766%0.656SS.*Hα-helixtrans-72.1-32.7179.700000112.2D48 A55D48-A51 PolarHBondContact O-N 3.12Å; A51-A55 PolarHBondContact O-N 2.86Å
52V57.7Low52.1Low71 Ų71111.6 Ų111.643%0.4365%0.649SS.*Hα-helixtrans-71.1-36.5175.6-177.70000111A55 Q56V52-A55 PolarHBondContact O-N 3.31Å; V52-Q56 VanDerWaalsContact O-CB 3.3Å; V52-Q56 WeakPolarHBondContact O-CB 3.35Å; V52-Q56 PolarHBondContact O-N 3.06Å
53A54.9Low52.1Low51 Ų51111.9 Ų111.942%0.42165%0.65SS.*Hα-helixtrans-61.3-45.8179.500000113N50 Q56 Q57N50-A53 PolarHBondContact O-N 3.31Å; A53-Q56 PolarHBondContact O-N 2.96Å; A53-Q57 PolarHBondContact O-N 3.43Å
54E54.2Low51.4Low105 Ų105109.6 Ų109.649%0.49165%0.654SS.*Hα-helixtrans-66.3-38.5175.1-84.4-156.1100.400112.8N50 Q56 R58N50-E54 PolarHBondContact O-N 2.76Å; E54-Q56 VanDerWaalsContact C-N 3.31Å; E54-Q56 PolarHBondContact O-N 3.5Å; E54-R58 PolarHBondContact O-N 2.93Å; E54-R58 VanDerWaalsContact O-N 3.16Å; E54-R58 IonicContact OE1-CZ 3.55Å; E54-R58 IonicContact OE1-NH1 3.49Å; E54-R58 PolarHBondContact OE1-NH1 3.3Å; E54-R58 IonicContact OE1-NH2 2.88Å; E54-R58 PolarHBondContact OE1-NH2 3.01Å
55A56Low51.2Low61 Ų61116 Ų11650%0.50466%0.664SS.*Hα-helixtrans-64.3-37.4177.200000111.9A51 V52 S59A51-A55 PolarHBondContact O-N 2.86Å; V52-A55 PolarHBondContact O-N 3.31Å; A55-S59 PolarHBondContact O-N 2.84Å; A55-S59 PolarHBondContact O-OG 2.95Å
56Q56.3Low50.5Low130 Ų130113.5 Ų113.561%0.60767%0.67SS**Hα-helixtrans-78.4-29.7-178.6-160.8161.5-23.700112.9V52 A53 E54 S59 S60V52-Q56 VanDerWaalsContact O-CB 3.3Å; V52-Q56 WeakPolarHBondContact O-CB 3.35Å; V52-Q56 PolarHBondContact O-N 3.06Å; A53-Q56 PolarHBondContact O-N 2.96Å; E54-Q56 VanDerWaalsContact C-N 3.31Å; E54-Q56 PolarHBondContact O-N 3.5Å; Q56-S59 WeakPolarHBondContact CA-OG 3.21Å; Q56-S59 PolarHBondContact O-OG 3.39Å; Q56-S60 PolarHBondContact O-N 3.1Å; Q56-S60 PolarHBondContact O-OG 3.25Å
57Q51.6Low50.1Low149 Ų149109.1 Ų109.170%0.69667%0.666SS**Hα-helixtrans-70.7-36.8170.2-81.8-173.5-44.700113.1A53 S59 S60A53-Q57 PolarHBondContact O-N 3.43Å; Q57-S59 VanDerWaalsContact C-N 3.29Å; Q57-S59 PolarHBondContact O-N 2.83Å; Q57-S60 PolarHBondContact O-OG 3.21Å
58R54.8Low49.5Very low179 Ų179108.5 Ų108.568%0.67567%0.666SS**Hα-helixtrans-71.7-22.1177.1-71.7-175.1-179.1112.114.8113.6E54E54-R58 PolarHBondContact O-N 2.93Å; E54-R58 VanDerWaalsContact O-N 3.16Å; E54-R58 IonicContact OE1-CZ 3.55Å; E54-R58 IonicContact OE1-NH1 3.49Å; E54-R58 PolarHBondContact OE1-NH1 3.3Å; E54-R58 IonicContact OE1-NH2 2.88Å; E54-R58 PolarHBondContact OE1-NH2 3.01Å
59S53.7Low49.4Very low83 Ų83114.4 Ų114.458%0.5868%0.678SS**Hα-helixtrans-96.3-8.1-178.145.80000114.9A55 Q56 Q57A55-S59 PolarHBondContact O-N 2.84Å; A55-S59 PolarHBondContact O-OG 2.95Å; Q56-S59 WeakPolarHBondContact CA-OG 3.21Å; Q56-S59 PolarHBondContact O-OG 3.39Å; Q57-S59 VanDerWaalsContact C-N 3.29Å; Q57-S59 PolarHBondContact O-N 2.83Å
60S52.1Low48.7Very low96 Ų96117.3 Ų117.367%0.67168%0.681SS**SBendtrans-90.41.5177.431.80000114.4Q56 Q57Q56-S60 PolarHBondContact O-N 3.1Å; Q56-S60 PolarHBondContact O-OG 3.25Å; Q57-S60 PolarHBondContact O-OG 3.21Å
61A50.1Low48Very low90 Ų90116.5 Ų116.574%0.74469%0.685SS**SBendtrans-96.5-0.8-172.800000115.8
62S49.4Very low47.9Very low98 Ų98119.5 Ų119.569%0.68570%0.699SS**SBendtrans-136.1140-17867.40000114.8
63S39.4Very low47Very low120 Ų120125.5 Ų125.584%0.83972%0.72SS**  trans66.987.5166.3-158.20000118.4
64C39Very low46.7Very low117 Ų117128 Ų12879%0.79173%0.734SS**  trans-60.6166.7159.6-52.80000113.2
65R44Very low46.2Very low253 Ų253128 Ų12896%0.95574%0.742SS**  trans81.5117.9167.3-58.1-178.5168.6-141.6-3.1117.6
66G36.9Very low45.7Very low79 Ų79134.1 Ų134.181%0.81476%0.76SS**  122.165.1124.100000119.8
67G35Very low44.9Very low76 Ų76133 Ų13378%0.78477%0.766SS**  trans72174136.100000120.6
68S41.2Very low44.7Very low94 Ų94129.4 Ų129.466%0.65776%0.761SS**  trans65.7100174.5-145.10000117.7Q70S68-Q70 PolarHBondContact O-N 3.42Å
69R41.3Very low44.6Very low254 Ų254126.1 Ų126.196%0.95876%0.761SS**  trans-63.594.8159.5-69.3169.8160.7-139.3-2.3109.6
70Q43.4Very low44.6Very low162 Ų162128.6 Ų128.676%0.75777%0.772SS**  trans-130.2105.1167.1-70.5-173.48.100110S68S68-Q70 PolarHBondContact O-N 3.42Å
71S42.8Very low44.8Very low113 Ų113131.1 Ų131.179%0.7977%0.774SS**  trans-58.7134.3166.5-49.40000109K73S71-K73 PolarHBondContact O-N 3.4Å
72P52.4Low45.3Very low128 Ų128131.6 Ų131.683%0.83176%0.763SS**  trans-68.4105.1-179.327-33.3000110.4S74P72-S74 PolarHBondContact O-N 2.82Å
73K38.6Very low45.7Very low198 Ų198134 Ų13486%0.86176%0.763SS**  trans-74.597.6157.3-84.2-177.8173.2178.20108S71S71-K73 PolarHBondContact O-N 3.4Å
74S47.7Very low47.2Very low103 Ų103131.1 Ų131.172%0.7274%0.743SS**  trans-99.7103.6153.4177.90000105.6P72P72-S74 PolarHBondContact O-N 2.82Å
75T44.2Very low48.9Very low106 Ų106128.5 Ų128.565%0.6573%0.726SS**  51.796.762.667.80000115.1
76Q45Very low50.7Low189 Ų189121 Ų12188%0.88371%0.705SS**SBendtrans79.8149.8154.6-54-179.521.700116.9A78Q76-A78 PolarHBondContact O-N 3.31Å
77S40.2Very low52.8Low107 Ų107123.7 Ų123.775%0.74870%0.696SS**  trans-82.1103-162.449.20000113.1V79S77-V79 PolarHBondContact O-N 2.92Å
78A47.6Very low55.1Low72 Ų72124.8 Ų124.860%0.59568%0.684SS**  trans-83.428171.500000113.8Q76 V80 E81 L82Q76-A78 PolarHBondContact O-N 3.31Å; A78-V80 PolarHBondContact O-N 2.81Å; A78-E81 PolarHBondContact O-N 3.49Å; A78-L82 PolarHBondContact O-N 2.66Å
79V53.1Low57Low110 Ų110123.8 Ų123.867%0.66767%0.674SS**Hα-helixtrans-64.9-29.4-175.2177.30000112S77S77-V79 PolarHBondContact O-N 2.92Å
80V53.9Low59.1Low135 Ų135118.9 Ų118.982%0.81866%0.66SS**Hα-helixtrans-80.7-21.9-175.9-177.20000113.4A78A78-V80 PolarHBondContact O-N 2.81Å
81E55.7Low61Low149 Ų149117.8 Ų117.870%0.69665%0.649SS**Hα-helixtrans-95.6-6.9174.8-66.6-169.515200113.2A78 S84 S85A78-E81 PolarHBondContact O-N 3.49Å; E81-S84 PolarHBondContact O-OG 2.99Å; E81-S85 WeakPolarHBondContact O-CB 3.34Å; E81-S85 PolarHBondContact O-N 3.2Å
82L59.4Low62.8Low100 Ų100117.4 Ų117.452%0.52464%0.635SS.*Hα-helixtrans-71.9-34.1-179.6-173.162.2000112.4A78 S85 L86A78-L82 PolarHBondContact O-N 2.66Å; L82-S85 PolarHBondContact O-N 3.16Å; L82-L86 HydrophobicContact CD1-CG 4.49Å; L82-L86 HydrophobicContact CG-CD1 4Å; L82-L86 HydrophobicContact CG-CG 4.42Å; L82-L86 WeakPolarHBondContact O-CB 3.3Å; L82-L86 WeakPolarHBondContact O-CG 3.38Å; L82-L86 PolarHBondContact O-N 3.33Å
83E59.9Low64.2Low148 Ų148115 Ų11569%0.69262%0.615SS**Hα-helixtrans-66.8-48178.6-70.7-160.6139.800112.1S85 L86 E87E83-S85 VanDerWaalsContact C-N 3.25Å; E83-S85 PolarHBondContact O-N 2.82Å; E83-L86 CarbonylContact O-C 3.56Å; E83-L86 PolarHBondContact O-N 3.38Å; E83-E87 WeakPolarHBondContact O-CG 3.41Å; E83-E87 PolarHBondContact O-N 2.88Å
84S69.2Low66.3Low60 Ų60110.1 Ų110.142%0.4260%0.601SS.*Hα-helixtrans-64.1-31.6176.6630000112.4E81 N88E81-S84 PolarHBondContact O-OG 2.99Å; S84-N88 PolarHBondContact O-N 3.47Å; S84-N88 PolarHBondContact O-ND2 3.42Å
85S76.1Confident67.8Low62 Ų62112.4 Ų112.443%0.43459%0.594SS.*Hα-helixtrans-66.8-44.9169.6-171.90000112.1E81 L82 E83 N88 V89E81-S85 WeakPolarHBondContact O-CB 3.34Å; E81-S85 PolarHBondContact O-N 3.2Å; L82-S85 PolarHBondContact O-N 3.16Å; E83-S85 VanDerWaalsContact C-N 3.25Å; E83-S85 PolarHBondContact O-N 2.82Å; S85-N88 PolarHBondContact O-N 2.87Å; S85-V89 WeakPolarHBondContact O-CG2 3.32Å; S85-V89 PolarHBondContact O-N 2.81Å
86L81.3Confident69.3Low97 Ų97112.6 Ų112.651%0.50859%0.588SS.*Hα-helixtrans-66.3-36.8177.3-85.5168.5000112.9L82 E83 V89 K90L82-L86 HydrophobicContact CD1-CG 4.49Å; L82-L86 HydrophobicContact CG-CD1 4Å; L82-L86 HydrophobicContact CG-CG 4.42Å; L82-L86 WeakPolarHBondContact O-CB 3.3Å; L82-L86 WeakPolarHBondContact O-CG 3.38Å; L82-L86 PolarHBondContact O-N 3.33Å; E83-L86 CarbonylContact O-C 3.56Å; E83-L86 PolarHBondContact O-N 3.38Å; L86-V89 PolarHBondContact O-N 3.35Å; L86-K90 VanDerWaalsContact O-CB 3.23Å; L86-K90 WeakPolarHBondContact O-CB 3.3Å; L86-K90 PolarHBondContact O-N 2.77Å
87E81.6Confident70.5Confident135 Ų135109.3 Ų109.363%0.63157%0.571SS**Hα-helixtrans-62.8-43.9173.1-74.4-174.5154.900111.4E83 K90 Y91E83-E87 WeakPolarHBondContact O-CG 3.41Å; E83-E87 PolarHBondContact O-N 2.88Å; E87-K90 PolarHBondContact O-N 3.34Å; E87-Y91 WeakPolarHBondContact O-CB 3.38Å; E87-Y91 PolarHBondContact O-N 2.9Å
88N81.6Confident71.9Confident99 Ų99107.3 Ų107.353%0.52956%0.557SS.*Hα-helixtrans-63.3-42.7173.6-78.5-53.1000111.8S84 S85 Y91 H92S84-N88 PolarHBondContact O-N 3.47Å; S84-N88 PolarHBondContact O-ND2 3.42Å; S85-N88 PolarHBondContact O-N 2.87Å; N88-Y91 PolarHBondContact O-N 2.82Å; N88-H92 WeakPolarHBondContact O-CB 3.22Å; N88-H92 PolarHBondContact O-CD2 3.06Å; N88-H92 VanDerWaalsContact O-CD2 3.3Å; N88-H92 PolarHBondContact O-N 3.31Å
89V83Confident72.9Confident73 Ų73107.9 Ų107.944%0.44256%0.561SS.*Hα-helixtrans-62.7-44.2174.4169.80000111.2S85 L86 H92 L93S85-V89 WeakPolarHBondContact O-CG2 3.32Å; S85-V89 PolarHBondContact O-N 2.81Å; L86-V89 PolarHBondContact O-N 3.35Å; V89-H92 PolarHBondContact O-N 3.19Å; V89-L93 HydrophobicContact CG1-CD1 3.81Å; V89-L93 HydrophobicContact CG1-CG 4.32Å; V89-L93 WeakPolarHBondContact O-CB 3.39Å; V89-L93 VanDerWaalsContact O-CG 3.3Å; V89-L93 WeakPolarHBondContact O-CG 3.38Å; V89-L93 PolarHBondContact O-N 2.82Å
90K84.5Confident73.3Confident151 Ų151107 Ų10766%0.65755%0.55SS*.Hα-helixtrans-60.9-45.6175.6-179.8-178.2177.5-1770111.1L86 E87 L93 V94L86-K90 VanDerWaalsContact O-CB 3.23Å; L86-K90 WeakPolarHBondContact O-CB 3.3Å; L86-K90 PolarHBondContact O-N 2.77Å; E87-K90 PolarHBondContact O-N 3.34Å; K90-L93 PolarHBondContact O-N 3.31Å; K90-V94 WeakPolarHBondContact O-CB 3.3Å; K90-V94 VanDerWaalsContact O-CG2 3.26Å; K90-V94 WeakPolarHBondContact O-CG2 3.39Å; K90-V94 PolarHBondContact O-N 3.25Å
91Y84.1Confident73.5Confident138 Ų138110.3 Ų110.354%0.54155%0.548SS..Hα-helixtrans-61.7-46.1175.4-179.1-95.4000111.5E87 N88 V94 R95E87-Y91 WeakPolarHBondContact O-CB 3.38Å; E87-Y91 PolarHBondContact O-N 2.9Å; N88-Y91 PolarHBondContact O-N 2.82Å; Y91-V94 PolarHBondContact O-N 3.3Å; Y91-R95 WeakPolarHBondContact O-CB 3.23Å; Y91-R95 PolarHBondContact O-N 3.46Å
92H80.1Confident73.6Confident106 Ų106111.2 Ų111.249%0.49156%0.557SS.*Hα-helixtrans-62.5-43.5176.3-92.1-84.9000112.7N88 V89 R95 Q96N88-H92 WeakPolarHBondContact O-CB 3.22Å; N88-H92 PolarHBondContact O-CD2 3.06Å; N88-H92 VanDerWaalsContact O-CD2 3.3Å; N88-H92 PolarHBondContact O-N 3.31Å; V89-H92 PolarHBondContact O-N 3.19Å; H92-R95 PolarHBondContact O-N 2.79Å; H92-Q96 WeakPolarHBondContact O-CB 3.36Å; H92-Q96 WeakPolarHBondContact O-CG 3.4Å; H92-Q96 PolarHBondContact O-N 3.23Å
93L82.1Confident73.7Confident78 Ų78114.6 Ų114.641%0.40857%0.567SS.*Hα-helixtrans-64-49.1175.9-74.1170.1000111.2V89 K90 R95 Q96 F97V89-L93 HydrophobicContact CG1-CD1 3.81Å; V89-L93 HydrophobicContact CG1-CG 4.32Å; V89-L93 WeakPolarHBondContact O-CB 3.39Å; V89-L93 VanDerWaalsContact O-CG 3.3Å; V89-L93 WeakPolarHBondContact O-CG 3.38Å; V89-L93 PolarHBondContact O-N 2.82Å; K90-L93 PolarHBondContact O-N 3.31Å; L93-R95 VanDerWaalsContact C-N 3.26Å; L93-R95 PolarHBondContact O-N 3.43Å; L93-Q96 PolarHBondContact O-N 2.98Å; L93-Q96 VanDerWaalsContact O-N 3.16Å; L93-F97 HydrophobicContact CB-CD2 4.48Å; L93-F97 HydrophobicContact CD2-CE2 4.23Å; L93-F97 WeakPolarHBondContact O-CB 3.42Å; L93-F97 WeakPolarHBondContact O-CD2 3.33Å; L93-F97 PolarHBondContact O-N 2.88Å
94V81.8Confident73.8Confident94 Ų94109.1 Ų109.157%0.5754%0.543SS*.Hα-helixtrans-58.7-40.3176.3169.80000110.8K90 Y91 S98K90-V94 WeakPolarHBondContact O-CB 3.3Å; K90-V94 VanDerWaalsContact O-CG2 3.26Å; K90-V94 WeakPolarHBondContact O-CG2 3.39Å; K90-V94 PolarHBondContact O-N 3.25Å; Y91-V94 PolarHBondContact O-N 3.3Å; V94-S98 VanDerWaalsContact O-CB 3.22Å; V94-S98 WeakPolarHBondContact O-CB 3.33Å; V94-S98 PolarHBondContact O-N 3.27Å; V94-S98 PolarHBondContact O-OG 2.93Å
95R80.4Confident73.3Confident152 Ų152110.3 Ų110.357%0.57455%0.547SS*.Hα-helixtrans-68.7-37.9176.4-167.1174.4-177.5-170.51.9112.8Y91 H92 L93 S98 A99Y91-R95 WeakPolarHBondContact O-CB 3.23Å; Y91-R95 PolarHBondContact O-N 3.46Å; H92-R95 PolarHBondContact O-N 2.79Å; L93-R95 VanDerWaalsContact C-N 3.26Å; L93-R95 PolarHBondContact O-N 3.43Å; R95-S98 WeakPolarHBondContact CA-OG 3.43Å; R95-S98 PolarHBondContact O-OG 3.43Å; R95-S98 VanDerWaalsContact O-OG 3.12Å; R95-A99 VanDerWaalsContact O-CB 3.26Å; R95-A99 WeakPolarHBondContact O-CB 3.48Å; R95-A99 PolarHBondContact O-N 3.36Å
96Q74.8Confident73.1Confident110 Ų110113.8 Ų113.851%0.51455%0.55SS.*Hα-helixtrans-69.5-48.4174.9-78.5-177.9-20.300112H92 L93 S98 A99 Q100H92-Q96 WeakPolarHBondContact O-CB 3.36Å; H92-Q96 WeakPolarHBondContact O-CG 3.4Å; H92-Q96 PolarHBondContact O-N 3.23Å; L93-Q96 PolarHBondContact O-N 2.98Å; L93-Q96 VanDerWaalsContact O-N 3.16Å; Q96-S98 PolarHBondContact O-N 3.22Å; Q96-A99 PolarHBondContact O-N 2.99Å; Q96-Q100 VanDerWaalsContact O-CB 3.3Å; Q96-Q100 WeakPolarHBondContact O-CB 3.46Å; Q96-Q100 VanDerWaalsContact O-CG 3.32Å; Q96-Q100 WeakPolarHBondContact O-CG 3.26Å; Q96-Q100 PolarHBondContact O-N 2.66Å
97F69.4Low72.2Confident120 Ų120113.7 Ų113.753%0.52655%0.549SS..Hα-helixtrans-66.9-34.5178.5-83.4-72.8000112.9L93 Q100 R101L93-F97 HydrophobicContact CB-CD2 4.48Å; L93-F97 HydrophobicContact CD2-CE2 4.23Å; L93-F97 WeakPolarHBondContact O-CB 3.42Å; L93-F97 WeakPolarHBondContact O-CD2 3.33Å; L93-F97 PolarHBondContact O-N 2.88Å; F97-Q100 CarbonylContact O-C 3.53Å; F97-Q100 PolarHBondContact O-N 2.8Å; F97-R101 PolarHBondContact O-N 3.03Å; F97-R101 VanDerWaalsContact O-N 3.1Å
98S70Confident71.3Confident65 Ų65113.8 Ų113.846%0.45555%0.549SS..Hα-helixtrans-68.9-41.9172.354.80000112.1V94 R95 Q96 Q100 R101V94-S98 VanDerWaalsContact O-CB 3.22Å; V94-S98 WeakPolarHBondContact O-CB 3.33Å; V94-S98 PolarHBondContact O-N 3.27Å; V94-S98 PolarHBondContact O-OG 2.93Å; R95-S98 WeakPolarHBondContact CA-OG 3.43Å; R95-S98 PolarHBondContact O-OG 3.43Å; R95-S98 VanDerWaalsContact O-OG 3.12Å; Q96-S98 PolarHBondContact O-N 3.22Å; S98-Q100 VanDerWaalsContact C-N 3.29Å; S98-Q100 PolarHBondContact O-N 3.03Å; S98-R101 WeakPolarHBondContact O-CB 3.43Å; S98-R101 PolarHBondContact O-N 3.38Å
99A68.3Low70.2Confident84 Ų84112.5 Ų112.569%0.69454%0.542SS*.Hα-helixtrans-65-30.4171.800000113.1R95 Q96R95-A99 VanDerWaalsContact O-CB 3.26Å; R95-A99 WeakPolarHBondContact O-CB 3.48Å; R95-A99 PolarHBondContact O-N 3.36Å; Q96-A99 PolarHBondContact O-N 2.99Å
100Q62.8Low69.1Low90 Ų90117.8 Ų117.842%0.42155%0.554SS.*THydrogen-bonded Turntrans-862.6175.9-73-179.9-9.300114.3Q96 F97 S98 L102 K103Q96-Q100 VanDerWaalsContact O-CB 3.3Å; Q96-Q100 WeakPolarHBondContact O-CB 3.46Å; Q96-Q100 VanDerWaalsContact O-CG 3.32Å; Q96-Q100 WeakPolarHBondContact O-CG 3.26Å; Q96-Q100 PolarHBondContact O-N 2.66Å; F97-Q100 CarbonylContact O-C 3.53Å; F97-Q100 PolarHBondContact O-N 2.8Å; S98-Q100 VanDerWaalsContact C-N 3.29Å; S98-Q100 PolarHBondContact O-N 3.03Å; Q100-L102 PolarHBondContact O-N 3.29Å; Q100-K103 PolarHBondContact O-N 3.28Å
101R57.4Low68.1Low205 Ų205115.3 Ų115.377%0.77456%0.556SS**THydrogen-bonded Turntrans-53-26.5179.9-94.9-170.8171-155.6-0.7114.1F97 S98F97-R101 PolarHBondContact O-N 3.03Å; F97-R101 VanDerWaalsContact O-N 3.1Å; S98-R101 WeakPolarHBondContact O-CB 3.43Å; S98-R101 PolarHBondContact O-N 3.38Å
102L57.7Low66.9Low169 Ų169112.4 Ų112.489%0.88556%0.556SS**THydrogen-bonded Turntrans-91.6-4.5178.4-60.9174.6000114.6Q100Q100-L102 PolarHBondContact O-N 3.29Å
103K61.8Low65.7Low170 Ų170115 Ų11574%0.73956%0.561SS**THydrogen-bonded Turntrans-105.3-1.1179.3-78.1-173.5174.4-177.70114.2Q100 V105Q100-K103 PolarHBondContact O-N 3.28Å; K103-V105 PolarHBondContact O-N 3.36Å
104N61.8Low64.6Low34 Ų34116.7 Ų116.718%0.18258%0.578CS.*  trans-77.641.7178.6-65.2-36.5000113.3W106 M107 Q108N104-W106 PolarHBondContact O-N 3.45Å; N104-M107 HydrophobicContact CB-CB 4.41Å; N104-M107 HydrophobicContact CB-CE 3.59Å; N104-M107 HydrophobicContact CB-CG 4.43Å; N104-M107 WeakPolarHBondContact ND2-CE 3.4Å; N104-M107 PolarHBondContact O-N 2.93Å; N104-Q108 PolarHBondContact O-N 3.09Å
105V59.6Low63.5Low84 Ų84120.8 Ų120.851%0.50959%0.59SS.*Hα-helixtrans-54.2-42.2177.5-175.70000109.8K103 M107 Q108 D109K103-V105 PolarHBondContact O-N 3.36Å; V105-M107 VanDerWaalsContact C-N 3.3Å; V105-M107 PolarHBondContact O-N 3.38Å; V105-Q108 CarbonylContact O-C 3.49Å; V105-Q108 WeakPolarHBondContact O-CA 3.33Å; V105-Q108 WeakPolarHBondContact O-CB 3.27Å; V105-Q108 PolarHBondContact O-N 3.42Å; V105-D109 PolarHBondContact O-N 2.91Å
106W70.2Confident62.4Low135 Ų135116.1 Ų116.151%0.51158%0.584SS.*Hα-helixtrans-57.5-34.4177.175.9-88.1000114.4N104 W110N104-W106 PolarHBondContact O-N 3.45Å; W106-W110 HydrophobicContact CE3-CZ2 4.24Å; W106-W110 HydrophobicContact CZ3-CH2 4.28Å; W106-W110 HydrophobicContact CZ3-CZ2 4.19Å; W106-W110 HydrophobicContact CZ3-CZ3 4.49Å; W106-W110 PolarHBondContact O-N 3.07Å
107M63.5Low61.5Low95 Ų95114.7 Ų114.747%0.46859%0.587SS.*Hα-helixtrans-72.7-32.9175-69.2-156.6-74.700111.5N104 V105 W110 S111N104-M107 HydrophobicContact CB-CB 4.41Å; N104-M107 HydrophobicContact CB-CE 3.59Å; N104-M107 HydrophobicContact CB-CG 4.43Å; N104-M107 WeakPolarHBondContact ND2-CE 3.4Å; N104-M107 PolarHBondContact O-N 2.93Å; V105-M107 VanDerWaalsContact C-N 3.3Å; V105-M107 PolarHBondContact O-N 3.38Å; M107-W110 PolarHBondContact O-N 3.22Å; M107-S111 PolarHBondContact O-N 3.37Å
108Q61.7Low61Low137 Ų137113.9 Ų113.964%0.6459%0.593SS**Hα-helixtrans-75.7-31.1176.1-161.6166.42.200111.7N104 V105 W110 S111 S112N104-Q108 PolarHBondContact O-N 3.09Å; V105-Q108 CarbonylContact O-C 3.49Å; V105-Q108 WeakPolarHBondContact O-CA 3.33Å; V105-Q108 WeakPolarHBondContact O-CB 3.27Å; V105-Q108 PolarHBondContact O-N 3.42Å; Q108-W110 PolarHBondContact O-N 3.13Å; Q108-S111 PolarHBondContact O-N 3.31Å; Q108-S111 PolarHBondContact O-OG 3.25Å; Q108-S112 VanDerWaalsContact O-CB 3.25Å; Q108-S112 WeakPolarHBondContact O-CB 3.25Å; Q108-S112 PolarHBondContact O-N 3.34Å; Q108-S112 PolarHBondContact O-OG 3.41Å
109D60.2Low60.4Low73 Ų73114.4 Ų114.439%0.3960%0.595SS.*Hα-helixtrans-66.6-17.8172.3-64.1-32.2000113.2V105 R113V105-D109 PolarHBondContact O-N 2.91Å; D109-R113 VanDerWaalsContact O-CD 3.28Å; D109-R113 WeakPolarHBondContact O-CD 3.47Å; D109-R113 WeakPolarHBondContact O-CG 3.38Å; D109-R113 PolarHBondContact O-NE 3.08Å; D109-R113 VanDerWaalsContact O-NE 3.09Å
110W59.2Low59.8Low183 Ų183119.3 Ų119.369%0.69360%0.603SS**Hα-helixtrans-91.6-35.5176.9-71.628000111.5W106 M107 Q108W106-W110 HydrophobicContact CE3-CZ2 4.24Å; W106-W110 HydrophobicContact CZ3-CH2 4.28Å; W106-W110 HydrophobicContact CZ3-CZ2 4.19Å; W106-W110 HydrophobicContact CZ3-CZ3 4.49Å; W106-W110 PolarHBondContact O-N 3.07Å; M107-W110 PolarHBondContact O-N 3.22Å; Q108-W110 PolarHBondContact O-N 3.13Å
111S62.6Low59.4Low100 Ų100123.7 Ų123.770%0.69962%0.621SS**Hα-helixtrans-83.2-21.5178.662.60000114.4M107 Q108M107-S111 PolarHBondContact O-N 3.37Å; Q108-S111 PolarHBondContact O-N 3.31Å; Q108-S111 PolarHBondContact O-OG 3.25Å
112S59Low59.1Low77 Ų77122.9 Ų122.954%0.53862%0.62SS.*SBendtrans-93.4-5.6-176.6600000115.3Q108 P114Q108-S112 VanDerWaalsContact O-CB 3.25Å; Q108-S112 WeakPolarHBondContact O-CB 3.25Å; Q108-S112 PolarHBondContact O-N 3.34Å; Q108-S112 PolarHBondContact O-OG 3.41Å; S112-P114 VanDerWaalsContact O-CD 3.27Å; S112-P114 WeakPolarHBondContact O-CD 3.28Å
113R54.6Low58.7Low159 Ų159125.1 Ų125.160%0.662%0.616SS**  trans-74.8115.3177.4-78.7171.4-172.9-110.8-2.5110.4D109 E115 A116D109-R113 VanDerWaalsContact O-CD 3.28Å; D109-R113 WeakPolarHBondContact O-CD 3.47Å; D109-R113 WeakPolarHBondContact O-CG 3.38Å; D109-R113 PolarHBondContact O-NE 3.08Å; D109-R113 VanDerWaalsContact O-NE 3.09Å; R113-E115 PolarHBondContact O-N 3Å; R113-A116 HydrophobicContact CB-CB 3.64Å; R113-A116 WeakPolarHBondContact O-CB 3.45Å; R113-A116 PolarHBondContact O-N 3.02Å
114P59Low58Low115 Ų115122.5 Ų122.575%0.74762%0.618SS**G310 helixtrans-63.8-27.2174.626.8-34.2000112S112 A116S112-P114 VanDerWaalsContact O-CD 3.27Å; S112-P114 WeakPolarHBondContact O-CD 3.28Å; P114-A116 PolarHBondContact O-N 3.21Å
115E59.9Low57.3Low180 Ų180129.2 Ų129.284%0.84165%0.653SS**G310 helixtrans-66.7-16.9171.3-58.4-66.3141.600113.7R113R113-E115 PolarHBondContact O-N 3Å
116A56.8Low56.5Low53 Ų53134.1 Ų134.144%0.43866%0.662SS.*G310 helixtrans-100.120.8-177.600000113.1R113 P114 P118R113-A116 HydrophobicContact CB-CB 3.64Å; R113-A116 WeakPolarHBondContact O-CB 3.45Å; R113-A116 PolarHBondContact O-N 3.02Å; P114-A116 PolarHBondContact O-N 3.21Å; A116-P118 VanDerWaalsContact O-N 3.17Å
117S56.8Low55.4Low81 Ų81139 Ų13957%0.56668%0.68SS**  trans-52.1123.6164.464.40000108.9P119S117-P119 WeakPolarHBondContact O-CD 3.22Å
118P58.6Low54.9Low102 Ų102141.3 Ų141.366%0.66270%0.695SS**  trans-58.8127.817723.7-32.4000107.3A116 H120 Y122A116-P118 VanDerWaalsContact O-N 3.17Å; P118-H120 PolarHBondContact O-N 3.21Å; P118-Y122 HydrophobicContact CB-CD2 4.48Å
119P56.8Low54.5Low77 Ų77138.7 Ų138.750%0.569%0.685SS.*  trans-40.3127.8-179.8-35.133000111.8S117 F121 Y122S117-P119 WeakPolarHBondContact O-CD 3.22Å; P119-F121 PolarHBondContact O-N 2.68Å; P119-Y122 HydrophobicContact CB-CD2 3.94Å; P119-Y122 HydrophobicContact CB-CE2 3.89Å; P119-Y122 HydrophobicContact CG-CD2 4.25Å; P119-Y122 HydrophobicContact CG-CE2 3.79Å; P119-Y122 WeakPolarHBondContact O-CD2 3.43Å; P119-Y122 PolarHBondContact O-N 2.82Å; P119-Y122 VanDerWaalsContact O-N 3.11Å
120H54.8Low54Low187 Ų187141 Ų14187%0.86670%0.702SS**THydrogen-bonded Turntrans-61.24.7-168-129.9-76.6000115.2P118P118-H120 PolarHBondContact O-N 3.21Å
121F55.3Low53.9Low181 Ų181137.4 Ų137.479%0.79470%0.7SS**THydrogen-bonded Turntrans-1115.5-174.9-50.2-73.6000113.6P119 R123P119-F121 PolarHBondContact O-N 2.68Å; F121-R123 PolarHBondContact O-N 3.11Å; F121-R123 VanDerWaalsContact O-N 3.1Å
122Y51.9Low53.6Low189 Ų189142.8 Ų142.874%0.74171%0.706SS**SBendtrans-72.38.4177.3-89-72.3000115.2P118 P119P118-Y122 HydrophobicContact CB-CD2 4.48Å; P119-Y122 HydrophobicContact CB-CD2 3.94Å; P119-Y122 HydrophobicContact CB-CE2 3.89Å; P119-Y122 HydrophobicContact CG-CD2 4.25Å; P119-Y122 HydrophobicContact CG-CE2 3.79Å; P119-Y122 WeakPolarHBondContact O-CD2 3.43Å; P119-Y122 PolarHBondContact O-N 2.82Å; P119-Y122 VanDerWaalsContact O-N 3.11Å
123R49.6Very low53.8Low216 Ų216143.2 Ų143.282%0.81571%0.706SS**SBendtrans-129.3156.2170.7-81.2-179.4174.4153.50.4110.6F121F121-R123 PolarHBondContact O-N 3.11Å; F121-R123 VanDerWaalsContact O-N 3.1Å
124C45.4Very low54.2Low115 Ų115140 Ų14078%0.77771%0.705SS**  trans85.623.9177-48.90000117.8
125L47Very low54.3Low175 Ų175139.7 Ų139.792%0.91670%0.703SS**  trans-108.242.6163.3-98.1159000113.1
126R43.3Very low54Low186 Ų186138.5 Ų138.570%0.70270%0.703SS**  trans-125.1116.5151.3-86.9-163.2180-173.75.3107.2N129R126-N129 HydrophobicContact CB-CB 4.33Å; R126-N129 WeakPolarHBondContact CD-OD1 3.41Å; R126-N129 PolarHBondContact NH1-ND2 3.48Å
127R46.7Very low54.1Low237 Ų237137.2 Ų137.289%0.89469%0.69SS**SBendtrans-83.3-19-167.1-151.6172.5-173.2102-0.5113.5
128D54.3Low54.1Low144 Ų144139.3 Ų139.377%0.7770%0.702SS**SBendtrans-133.215.7-164.7-48.6-67.3000113.8
129N52.8Low53.6Low82 Ų82142.1 Ų142.144%0.43970%0.704SS.*  trans-111.3109.9-179.4-68.477.8000110.7R126 V131R126-N129 HydrophobicContact CB-CB 4.33Å; R126-N129 WeakPolarHBondContact CD-OD1 3.41Å; R126-N129 PolarHBondContact NH1-ND2 3.48Å; N129-V131 VanDerWaalsContact C-N 3.28Å; N129-V131 PolarHBondContact O-N 2.93Å
130V50.5Low52.9Low121 Ų121144.5 Ų144.573%0.73372%0.722SS**  trans-67.186.3171.9-176.60000109.3Y132V130-Y132 HydrophobicContact CG1-CD2 4.02Å; V130-Y132 HydrophobicContact CG1-CE2 3.72Å; V130-Y132 PolarHBondContact O-N 3.1Å
131V56.4Low52.7Low108 Ų108138.5 Ų138.566%0.65571%0.71SS**  trans-84.7102169.8-179.50000107.2N129 T133N129-V131 VanDerWaalsContact C-N 3.28Å; N129-V131 PolarHBondContact O-N 2.93Å; V131-T133 VanDerWaalsContact C-N 3.31Å; V131-T133 HydrophobicContact CG1-CG2 4.32Å; V131-T133 PolarHBondContact O-N 2.84Å
132Y56.6Low52.1Low214 Ų214138.4 Ų138.484%0.83971%0.712SS**  trans-6294.5166.4-76-87.5000109V130V130-Y132 HydrophobicContact CG1-CD2 4.02Å; V130-Y132 HydrophobicContact CG1-CE2 3.72Å; V130-Y132 PolarHBondContact O-N 3.1Å
133T62.9Low51.9Low86 Ų86137.5 Ų137.553%0.52872%0.715SS.*  trans-74.5137.4168.935.60000109.6V131V131-T133 VanDerWaalsContact C-N 3.31Å; V131-T133 HydrophobicContact CG1-CG2 4.32Å; V131-T133 PolarHBondContact O-N 2.84Å
134P63.2Low51.7Low91 Ų91133.5 Ų133.559%0.59171%0.709SS**  trans-60.6152.8179.424.9-34000111.1N136 S137P134-N136 PolarHBondContact O-N 2.78Å; P134-S137 PolarHBondContact O-N 3.42Å; P134-S137 PolarHBondContact O-OG 2.85Å
135P60.1Low51.3Low108 Ų108132.7 Ų132.770%0.70170%0.704SS**THydrogen-bonded Turntrans-63.1-5.3-167.524.3-35.7000115.9F139P135-F139 WeakPolarHBondContact O-CE2 3.35Å
136N54.8Low51.2Low155 Ų155130.7 Ų130.783%0.82970%0.699SS**THydrogen-bonded Turntrans-109.313.7176.7-62.9-30.3000113.2P134P134-N136 PolarHBondContact O-N 2.78Å
137S59.3Low51.1Low26 Ų26127.2 Ų127.218%0.18270%0.699CS.*SBendtrans-60.9142.2168.763.50000109.8P134 F139P134-S137 PolarHBondContact O-N 3.42Å; P134-S137 PolarHBondContact O-OG 2.85Å; S137-F139 VanDerWaalsContact C-N 3.34Å; S137-F139 VanDerWaalsContact O-CD2 3.22Å; S137-F139 WeakPolarHBondContact O-CD2 3.43Å; S137-F139 PolarHBondContact O-N 2.88Å
138P55.4Low50.6Low126 Ų126122 Ų12282%0.81869%0.694SS**  trans-62.3101169.826.6-32.7000107.6C140P138-C140 PolarHBondContact O-N 3.39Å
139F48Very low49.9Very low160 Ų160127.2 Ų127.270%0.70270%0.703SS**  trans-56.2136.5-173.5-81.2-96.2000109.6P135 S137 G141P135-F139 WeakPolarHBondContact O-CE2 3.35Å; S137-F139 VanDerWaalsContact C-N 3.34Å; S137-F139 VanDerWaalsContact O-CD2 3.22Å; S137-F139 WeakPolarHBondContact O-CD2 3.43Å; S137-F139 PolarHBondContact O-N 2.88Å; F139-G141 PolarHBondContact O-N 3.22Å
140C43Very low49.1Very low128 Ų128134.8 Ų134.887%0.86573%0.727SS**  trans-72.670.7167.1-171.20000108.3P138P138-C140 PolarHBondContact O-N 3.39Å
141G49.7Very low48.6Very low60 Ų60139.9 Ų139.962%0.61973%0.733SS**  trans-68.2134-179.600000111.2F139 E143F139-G141 PolarHBondContact O-N 3.22Å; G141-E143 PolarHBondContact O-N 3.16Å; G141-E143 VanDerWaalsContact O-N 3.16Å
142E44.3Very low47.9Very low180 Ų180144.5 Ų144.584%0.84174%0.744SS**  trans-73.893.5178.4-177.7176.8-172.900110.9
143E47.4Very low47.1Very low169 Ų169138.4 Ų138.479%0.7973%0.733SS**  trans-133.784.1165.1-78.5-68.5160.200106.4G141G141-E143 PolarHBondContact O-N 3.16Å; G141-E143 VanDerWaalsContact O-N 3.16Å
144L44.7Very low46.6Very low133 Ų133141.9 Ų141.970%0.69675%0.748SS**  60.5113.182.5-155.978.8000112.7
145S36.2Very low46.1Very low98 Ų98148.7 Ų148.769%0.68576%0.762SS**  trans28.4105.3158.962.60000119
146T45.9Very low45.4Very low132 Ų132151.5 Ų151.581%0.8177%0.765SS**  -161.5114128.321.40000111.8
147T40.2Very low45Very low114 Ų114148.9 Ų148.970%0.69976%0.759SS**  61123.7117.2-46.70000119.5
148T37.3Very low44.3Very low127 Ų127152 Ų15278%0.77978%0.78SS**  trans63.673.2156540000119.9
149R38.7Very low44Very low254 Ų254153 Ų15396%0.95878%0.779SS**  trans-142.465.5138.9-73.1-157-168.1-175.58.7113.2R151R149-R151 VanDerWaalsContact C-N 3.31Å; R149-R151 PolarHBondContact O-N 3.16Å
150Y37Very low44Very low240 Ų240150.9 Ų150.994%0.94177%0.773SS**  trans-74.180.8165.9-125.1-90000110
151R40.1Very low44.4Very low228 Ų228155.1 Ų155.186%0.8677%0.771SS**  trans-141.4101.4166.2-81.4-161170.6162-0.2111.6R149 S153R149-R151 VanDerWaalsContact C-N 3.31Å; R149-R151 PolarHBondContact O-N 3.16Å; R151-S153 PolarHBondContact O-N 3Å; R151-S153 VanDerWaalsContact O-N 3.16Å
152F40.5Very low44.3Very low205 Ų205159.7 Ų159.790%0.89978%0.776SS**  trans8.187.3159-70-90.5000116.4
153S40.2Very low44.7Very low86 Ų86160 Ų16060%0.60178%0.777SS**  trans-111.897.9162.5-174.30000108.8R151 R155R151-S153 PolarHBondContact O-N 3Å; R151-S153 VanDerWaalsContact O-N 3.16Å; S153-R155 PolarHBondContact O-N 2.88Å
154L51.9Low45.1Very low159 Ų159161.9 Ų161.983%0.83278%0.777SS**THydrogen-bonded Turntrans-69.921.1-178.8-82.3160.6000114.1
155R53.6Low45.7Very low234 Ų234163 Ų16388%0.88378%0.777SS**THydrogen-bonded Turntrans-112.913.7-172.5-68.7-175.1171.5162.3-1.9114.3S153S153-R155 PolarHBondContact O-N 2.88Å
156H45.1Very low47.6Very low168 Ų168161.6 Ų161.678%0.77877%0.767SS**  trans-122.212.8-173.1-129.6-70.6000115.4S158H156-S158 VanDerWaalsContact C-N 3.25Å; H156-S158 PolarHBondContact O-N 2.91Å
157S46.5Very low48.9Very low99 Ų99160.8 Ų160.869%0.69276%0.762SS**  trans-73.880171.557.80000110.9L159S157-L159 PolarHBondContact O-N 2.81Å
158S44.2Very low51Low91 Ų91162 Ų16264%0.63676%0.759SS**  trans-63.675.6162167.60000110H156 I160H156-S158 VanDerWaalsContact C-N 3.25Å; H156-S158 PolarHBondContact O-N 2.91Å; S158-I160 WeakPolarHBondContact O-CD1 3.32Å; S158-I160 WeakPolarHBondContact O-CG1 3.34Å
159L49Very low53.3Low149 Ų149160.2 Ų160.278%0.7875%0.748SS**  trans-126.156.9171.5-102.7167.4000108.2S157S157-L159 PolarHBondContact O-N 2.81Å
160I49.2Very low55.5Low114 Ų114152.2 Ų152.259%0.58572%0.723SS**  55.385.598.8-59.8173.1000111S158S158-I160 WeakPolarHBondContact O-CD1 3.32Å; S158-I160 WeakPolarHBondContact O-CG1 3.34Å
161R49.9Very low57.9Low217 Ų217144.1 Ų144.182%0.81970%0.702SS**SBendtrans88.511.7142.4-58.7178.6-176.2-172.71.5121.6
162H48.5Very low60.3Low156 Ų156138.1 Ų138.172%0.72269%0.69SS**  trans-135.470.2164.2-75.2-76.2000113.3W164H162-W164 AromaticContact ND1-NE1 3.9Å; H162-W164 PolarHBondContact O-N 2.95Å
163E52.5Low62.6Low188 Ų188134.6 Ų134.688%0.87968%0.675SS**THydrogen-bonded Turntrans-75.484.5176.3-70.4-87.5152.200112
164W55.8Low65.1Low208 Ų208135 Ų13579%0.78867%0.669SS**THydrogen-bonded Turntrans-127.2-33.6163.6-14-37000113.8H162H162-W164 AromaticContact ND1-NE1 3.9Å; H162-W164 PolarHBondContact O-N 2.95Å
165F58.3Low67.1Low157 Ų157130.7 Ų130.769%0.68965%0.651SS**SBendtrans-145.2142.1174.5-78.6-81.3000110.8V167F165-V167 PolarHBondContact O-N 3.45Å
166S75.1Confident69Low67 Ų67121.4 Ų121.447%0.46963%0.629SS.*  trans-58130.8174.7177.20000110.3E168 V169 I170S166-E168 PolarHBondContact O-N 3.47Å; S166-E168 VanDerWaalsContact O-N 3.12Å; S166-E168 PolarHBondContact OG-N 3.43Å; S166-V169 PolarHBondContact O-N 3.37Å; S166-I170 PolarHBondContact O-N 3.12Å; S166-I170 VanDerWaalsContact O-N 3.11Å
167V74.4Confident71.4Confident116 Ų116118.3 Ų118.370%0.70361%0.614SS**Hα-helixtrans-57-29.6179.41780000111.4F165 S171F165-V167 PolarHBondContact O-N 3.45Å; V167-S171 WeakPolarHBondContact O-CB 3.39Å; V167-S171 PolarHBondContact O-N 3.48Å
168E83Confident73.7Confident140 Ų140117.1 Ų117.165%0.65460%0.603SS**Hα-helixtrans-62.8-47.6173.4-174.1174.4-171.800112S166 S171 V172S166-E168 PolarHBondContact O-N 3.47Å; S166-E168 VanDerWaalsContact O-N 3.12Å; S166-E168 PolarHBondContact OG-N 3.43Å; E168-S171 PolarHBondContact O-N 3.5Å; E168-V172 WeakPolarHBondContact O-CG2 3.33Å; E168-V172 PolarHBondContact O-N 2.94Å
169V85.1Confident76.1Confident89 Ų89117.4 Ų117.454%0.53960%0.597SS.*Hα-helixtrans-65.6-45-179.9177.80000110.7S166 S171 V172 F173S166-V169 PolarHBondContact O-N 3.37Å; V169-S171 VanDerWaalsContact C-N 3.34Å; V169-S171 PolarHBondContact O-N 3.11Å; V169-V172 PolarHBondContact O-N 2.95Å; V169-F173 VanDerWaalsContact O-CB 3.32Å; V169-F173 WeakPolarHBondContact O-CB 3.18Å; V169-F173 PolarHBondContact O-N 3.35Å
170I86.3Confident78.3Confident85 Ų85113.4 Ų113.444%0.43658%0.581SS.*Hα-helixtrans-69.9-33.2179.5-148.5167.7000111.7S166 F173 I174S166-I170 PolarHBondContact O-N 3.12Å; S166-I170 VanDerWaalsContact O-N 3.11Å; I170-F173 PolarHBondContact O-N 3.17Å; I170-I174 HydrophobicContact CG1-CD1 4.1Å; I170-I174 WeakPolarHBondContact O-CB 3.36Å; I170-I174 WeakPolarHBondContact O-CD1 3.46Å; I170-I174 WeakPolarHBondContact O-CG1 3.37Å; I170-I174 PolarHBondContact O-N 3.38Å
171S86.4Confident80.5Confident70 Ų70114.4 Ų114.449%0.4958%0.582SS.*Hα-helixtrans-63.9-48.4173.1-179.80000111.7V167 E168 V169 F173 I174 C175V167-S171 WeakPolarHBondContact O-CB 3.39Å; V167-S171 PolarHBondContact O-N 3.48Å; E168-S171 PolarHBondContact O-N 3.5Å; V169-S171 VanDerWaalsContact C-N 3.34Å; V169-S171 PolarHBondContact O-N 3.11Å; S171-F173 VanDerWaalsContact C-N 3.33Å; S171-F173 PolarHBondContact O-N 2.94Å; S171-I174 PolarHBondContact O-N 3.45Å; S171-C175 WeakPolarHBondContact O-CB 3.43Å; S171-C175 PolarHBondContact O-N 3.32Å
172V90.3Very high82.7Confident103 Ų103108 Ų10862%0.62456%0.563SS**Hα-helixtrans-62-41.7176.4171.70000111.1E168 V169 G176E168-V172 WeakPolarHBondContact O-CG2 3.33Å; E168-V172 PolarHBondContact O-N 2.94Å; V169-V172 PolarHBondContact O-N 2.95Å; V172-G176 PolarHBondContact O-N 3.4Å
173F90.1Very high85Confident131 Ų131105.9 Ų105.958%0.57556%0.556SS**Hα-helixtrans-62.3-51.5176.7-176.6-99.4000112.2V169 I170 S171 C175 G176 H177V169-F173 VanDerWaalsContact O-CB 3.32Å; V169-F173 WeakPolarHBondContact O-CB 3.18Å; V169-F173 PolarHBondContact O-N 3.35Å; I170-F173 PolarHBondContact O-N 3.17Å; S171-F173 VanDerWaalsContact C-N 3.33Å; S171-F173 PolarHBondContact O-N 2.94Å; F173-C175 PolarHBondContact O-N 2.99Å; F173-G176 PolarHBondContact O-N 2.89Å; F173-H177 AromaticContact CD1-CD2 3.81Å; F173-H177 AromaticContact CD2-CD2 3.85Å; F173-H177 AromaticContact CD2-NE2 3.79Å; F173-H177 AromaticContact CE1-CD2 3.56Å; F173-H177 AromaticContact CE1-NE2 3.84Å; F173-H177 AromaticContact CE2-CD2 3.61Å; F173-H177 AromaticContact CE2-NE2 3.18Å; F173-H177 WeakPolarHBondContact CE2-NE2 3.13Å; F173-H177 AromaticContact CG-CD2 3.95Å; F173-H177 AromaticContact CZ-CD2 3.46Å; F173-H177 VanDerWaalsContact CZ-CD2 3.46Å; F173-H177 WeakPolarHBondContact CZ-CD2 3.21Å; F173-H177 AromaticContact CZ-NE2 3.21Å; F173-H177 WeakPolarHBondContact CZ-NE2 3.46Å; F173-H177 PolarHBondContact O-CD2 2.74Å; F173-H177 VanDerWaalsContact O-CD2 3.22Å; F173-H177 PolarHBondContact O-N 3.43Å
174I91.7Very high87Confident94 Ų9499 Ų9948%0.48254%0.536SS..Hα-helixtrans-61.5-45.9177.7-68.8164.7000110.4I170 S171 H177 V178I170-I174 HydrophobicContact CG1-CD1 4.1Å; I170-I174 WeakPolarHBondContact O-CB 3.36Å; I170-I174 WeakPolarHBondContact O-CD1 3.46Å; I170-I174 WeakPolarHBondContact O-CG1 3.37Å; I170-I174 PolarHBondContact O-N 3.38Å; S171-I174 PolarHBondContact O-N 3.45Å; I174-H177 PolarHBondContact O-N 2.89Å; I174-V178 HydrophobicContact CG2-CG2 4.21Å; I174-V178 WeakPolarHBondContact O-CB 3.24Å; I174-V178 VanDerWaalsContact O-CG2 3.29Å; I174-V178 WeakPolarHBondContact O-CG2 3.26Å; I174-V178 PolarHBondContact O-N 3.22Å
175C94.1Very high88.8Confident68 Ų6893.1 Ų93.146%0.45952%0.519SS..Hα-helixtrans-60.5-47.4178.9-172.30000111.6S171 F173 H177 V178 L179S171-C175 WeakPolarHBondContact O-CB 3.43Å; S171-C175 PolarHBondContact O-N 3.32Å; F173-C175 PolarHBondContact O-N 2.99Å; C175-H177 PolarHBondContact O-N 2.91Å; C175-V178 PolarHBondContact O-N 2.88Å; C175-L179 WeakPolarHBondContact O-CB 3.19Å; C175-L179 VanDerWaalsContact O-CG 3.24Å; C175-L179 WeakPolarHBondContact O-CG 3.47Å; C175-L179 PolarHBondContact O-N 3.4Å
176G93.8Very high90.6Very high39 Ų3989.2 Ų89.240%0.40251%0.511SS..Hα-helixtrans-59.1-44.717600000112.6V172 F173 S180V172-G176 PolarHBondContact O-N 3.4Å; F173-G176 PolarHBondContact O-N 2.89Å; G176-S180 WeakPolarHBondContact O-CB 3.05Å; G176-S180 PolarHBondContact O-N 3.49Å; G176-S180 PolarHBondContact O-OG 2.84Å
177H94.3Very high91.5Very high103 Ų10391 Ų9148%0.47751%0.514SS..Hα-helixtrans-66.2-46.6177.2-80.8-61.1000112.8F173 I174 C175 L179 S180 F181F173-H177 AromaticContact CD1-CD2 3.81Å; F173-H177 AromaticContact CD2-CD2 3.85Å; F173-H177 AromaticContact CD2-NE2 3.79Å; F173-H177 AromaticContact CE1-CD2 3.56Å; F173-H177 AromaticContact CE1-NE2 3.84Å; F173-H177 AromaticContact CE2-CD2 3.61Å; F173-H177 AromaticContact CE2-NE2 3.18Å; F173-H177 WeakPolarHBondContact CE2-NE2 3.13Å; F173-H177 AromaticContact CG-CD2 3.95Å; F173-H177 AromaticContact CZ-CD2 3.46Å; F173-H177 VanDerWaalsContact CZ-CD2 3.46Å; F173-H177 WeakPolarHBondContact CZ-CD2 3.21Å; F173-H177 AromaticContact CZ-NE2 3.21Å; F173-H177 WeakPolarHBondContact CZ-NE2 3.46Å; F173-H177 PolarHBondContact O-CD2 2.74Å; F173-H177 VanDerWaalsContact O-CD2 3.22Å; F173-H177 PolarHBondContact O-N 3.43Å; I174-H177 PolarHBondContact O-N 2.89Å; C175-H177 PolarHBondContact O-N 2.91Å; H177-L179 PolarHBondContact O-N 3.32Å; H177-S180 PolarHBondContact O-N 3.3Å; H177-S180 PolarHBondContact O-OG 3.5Å; H177-F181 WeakPolarHBondContact O-CB 3.33Å; H177-F181 PolarHBondContact O-N 2.91Å
178V95.6Very high92.4Very high75 Ų7587 Ų8746%0.45550%0.495SS..Hα-helixtrans-61.1-43.5177171.40000111.4I174 C175 F181 I182I174-V178 HydrophobicContact CG2-CG2 4.21Å; I174-V178 WeakPolarHBondContact O-CB 3.24Å; I174-V178 VanDerWaalsContact O-CG2 3.29Å; I174-V178 WeakPolarHBondContact O-CG2 3.26Å; I174-V178 PolarHBondContact O-N 3.22Å; C175-V178 PolarHBondContact O-N 2.88Å; V178-F181 PolarHBondContact O-N 3.47Å; V178-I182 HydrophobicContact CG1-CD1 3.81Å; V178-I182 VanDerWaalsContact O-CG1 3.31Å; V178-I182 WeakPolarHBondContact O-CG1 3.49Å; V178-I182 PolarHBondContact O-N 3.32Å
179L94.8Very high92.8Very high96 Ų9685.6 Ų85.650%0.50349%0.492SS..Hα-helixtrans-63.3-43.4175.6-72172.3000112C175 H177 F181 I182 L183C175-L179 WeakPolarHBondContact O-CB 3.19Å; C175-L179 VanDerWaalsContact O-CG 3.24Å; C175-L179 WeakPolarHBondContact O-CG 3.47Å; C175-L179 PolarHBondContact O-N 3.4Å; H177-L179 PolarHBondContact O-N 3.32Å; L179-F181 VanDerWaalsContact C-N 3.31Å; L179-F181 PolarHBondContact O-N 2.9Å; L179-I182 PolarHBondContact O-N 2.94Å; L179-L183 WeakPolarHBondContact O-CB 3.31Å; L179-L183 WeakPolarHBondContact O-CG 3.29Å; L179-L183 PolarHBondContact O-N 3.42Å
180S95.4Very high93.1Very high66 Ų6684.9 Ų84.946%0.46249%0.49SS..Hα-helixtrans-62.5-37.4176.473.10000112.5G176 H177 G184G176-S180 WeakPolarHBondContact O-CB 3.05Å; G176-S180 PolarHBondContact O-N 3.49Å; G176-S180 PolarHBondContact O-OG 2.84Å; H177-S180 PolarHBondContact O-N 3.3Å; H177-S180 PolarHBondContact O-OG 3.5Å; S180-G184 PolarHBondContact O-N 2.84Å
181F95.4Very high93.1Very high135 Ų13586.2 Ų86.259%0.59250%0.497SS*.Hα-helixtrans-67.8-44.1175.6-179.3-107000112H177 V178 L179 G184 L185H177-F181 WeakPolarHBondContact O-CB 3.33Å; H177-F181 PolarHBondContact O-N 2.91Å; V178-F181 PolarHBondContact O-N 3.47Å; L179-F181 VanDerWaalsContact C-N 3.31Å; L179-F181 PolarHBondContact O-N 2.9Å; F181-G184 PolarHBondContact O-N 2.86Å; F181-L185 HydrophobicContact CD1-CD1 3.95Å; F181-L185 HydrophobicContact CD1-CG 4.48Å; F181-L185 HydrophobicContact CE1-CD1 3.38Å; F181-L185 HydrophobicContact CE1-CG 4.12Å; F181-L185 HydrophobicContact CE2-CD1 4.44Å; F181-L185 HydrophobicContact CE2-CG 4.36Å; F181-L185 HydrophobicContact CZ-CD1 3.67Å; F181-L185 HydrophobicContact CZ-CD2 4.37Å; F181-L185 HydrophobicContact CZ-CG 4.05Å; F181-L185 WeakPolarHBondContact O-CG 3.46Å; F181-L185 PolarHBondContact O-N 2.91Å
182I96Very high93.1Very high83 Ų8385.8 Ų85.843%0.42649%0.494SS..Hα-helixtrans-62.2-46.3176-68.6166000110.5V178 L179 G184 L185 C186V178-I182 HydrophobicContact CG1-CD1 3.81Å; V178-I182 VanDerWaalsContact O-CG1 3.31Å; V178-I182 WeakPolarHBondContact O-CG1 3.49Å; V178-I182 PolarHBondContact O-N 3.32Å; L179-I182 PolarHBondContact O-N 2.94Å; I182-G184 PolarHBondContact O-N 2.94Å; I182-L185 PolarHBondContact O-N 3.26Å; I182-C186 WeakPolarHBondContact O-CB 3.48Å; I182-C186 PolarHBondContact O-N 3.38Å; I182-C186 PolarHBondContact O-SG 2.88Å
183L95.8Very high92.5Very high110 Ų11090 Ų9058%0.57650%0.498SS*.Hα-helixtrans-61.4-43.2176.1-70.9170.8000111.6L179 L185 C186 I187L179-L183 WeakPolarHBondContact O-CB 3.31Å; L179-L183 WeakPolarHBondContact O-CG 3.29Å; L179-L183 PolarHBondContact O-N 3.42Å; L183-L185 PolarHBondContact O-N 3.46Å; L183-C186 PolarHBondContact O-N 3.32Å; L183-I187 WeakPolarHBondContact O-CB 3.49Å; L183-I187 WeakPolarHBondContact O-CD1 3.23Å; L183-I187 VanDerWaalsContact O-CG1 3.26Å; L183-I187 WeakPolarHBondContact O-CG1 3.46Å; L183-I187 PolarHBondContact O-N 2.87Å
184G95.2Very high91.8Very high44 Ų4487.2 Ų87.245%0.45450%0.495SS..Hα-helixtrans-59.5-43.6174.200000113S180 F181 I182 G188S180-G184 PolarHBondContact O-N 2.84Å; F181-G184 PolarHBondContact O-N 2.86Å; I182-G184 PolarHBondContact O-N 2.94Å; G184-G188 PolarHBondContact O-N 3.29Å
185L94.8Very high90.5Very high85 Ų8592.3 Ų92.345%0.44551%0.508SS..Hα-helixtrans-64.8-44.4173.8-77.3-179.9000112.2F181 I182 L183 G188 L189F181-L185 HydrophobicContact CD1-CD1 3.95Å; F181-L185 HydrophobicContact CD1-CG 4.48Å; F181-L185 HydrophobicContact CE1-CD1 3.38Å; F181-L185 HydrophobicContact CE1-CG 4.12Å; F181-L185 HydrophobicContact CE2-CD1 4.44Å; F181-L185 HydrophobicContact CE2-CG 4.36Å; F181-L185 HydrophobicContact CZ-CD1 3.67Å; F181-L185 HydrophobicContact CZ-CD2 4.37Å; F181-L185 HydrophobicContact CZ-CG 4.05Å; F181-L185 WeakPolarHBondContact O-CG 3.46Å; F181-L185 PolarHBondContact O-N 2.91Å; I182-L185 PolarHBondContact O-N 3.26Å; L183-L185 PolarHBondContact O-N 3.46Å; L185-G188 PolarHBondContact O-N 2.89Å; L185-L189 VanDerWaalsContact O-CB 3.28Å; L185-L189 WeakPolarHBondContact O-CB 3.43Å; L185-L189 VanDerWaalsContact O-CG 3.25Å; L185-L189 WeakPolarHBondContact O-CG 3.35Å; L185-L189 PolarHBondContact O-N 3.12Å
186C94.4Very high88.9Confident75 Ų7597.6 Ų97.651%0.50752%0.518SS..Hα-helixtrans-60.9-45.8177.7-72.90000111.6I182 L183 C190I182-C186 WeakPolarHBondContact O-CB 3.48Å; I182-C186 PolarHBondContact O-N 3.38Å; I182-C186 PolarHBondContact O-SG 2.88Å; L183-C186 PolarHBondContact O-N 3.32Å; C186-C190 VanDerWaalsContact O-CB 3.23Å; C186-C190 WeakPolarHBondContact O-CB 3.25Å; C186-C190 PolarHBondContact O-N 3.3Å
187I94.3Very high87.2Confident105 Ų10598.4 Ų98.454%0.53853%0.527SS..Hα-helixtrans-65.7-46.4176.4-65.4163.7000110.2L183 L189 C190 L191L183-I187 WeakPolarHBondContact O-CB 3.49Å; L183-I187 WeakPolarHBondContact O-CD1 3.23Å; L183-I187 VanDerWaalsContact O-CG1 3.26Å; L183-I187 WeakPolarHBondContact O-CG1 3.46Å; L183-I187 PolarHBondContact O-N 2.87Å; I187-L189 PolarHBondContact O-N 3.22Å; I187-C190 WeakPolarHBondContact O-CB 3.45Å; I187-C190 PolarHBondContact O-N 2.84Å; I187-L191 HydrophobicContact CG2-CD1 3.98Å; I187-L191 HydrophobicContact CG2-CG 4.38Å; I187-L191 WeakPolarHBondContact O-CG 3.34Å; I187-L191 PolarHBondContact O-N 2.92Å
188G93.5Very high85.4Confident30 Ų30100.1 Ų100.131%0.30954%0.538SS..Hα-helixtrans-60.4-42.9178.300000113G184 L185 C192G184-G188 PolarHBondContact O-N 3.29Å; L185-G188 PolarHBondContact O-N 2.89Å; G188-C192 WeakPolarHBondContact O-CB 3.28Å; G188-C192 PolarHBondContact O-N 3.44Å; G188-C192 PolarHBondContact O-SG 2.91Å
189L91.6Very high83.5Confident112 Ų112101.1 Ų101.159%0.58654%0.544SS*.Hα-helixtrans-67.9-39.9174.6-72.5172.8000111.8L185 I187 C192 R193L185-L189 VanDerWaalsContact O-CB 3.28Å; L185-L189 WeakPolarHBondContact O-CB 3.43Å; L185-L189 VanDerWaalsContact O-CG 3.25Å; L185-L189 WeakPolarHBondContact O-CG 3.35Å; L185-L189 PolarHBondContact O-N 3.12Å; I187-L189 PolarHBondContact O-N 3.22Å; L189-C192 PolarHBondContact O-N 2.82Å; L189-R193 WeakPolarHBondContact O-CG 3.4Å; L189-R193 PolarHBondContact O-N 3.37Å
190C90.8Very high81.6Confident73 Ų7399.5 Ų99.549%0.49355%0.551SS.*Hα-helixtrans-59.2-52.4175-170.90000110.8C186 I187 C192 R193 C194C186-C190 VanDerWaalsContact O-CB 3.23Å; C186-C190 WeakPolarHBondContact O-CB 3.25Å; C186-C190 PolarHBondContact O-N 3.3Å; I187-C190 WeakPolarHBondContact O-CB 3.45Å; I187-C190 PolarHBondContact O-N 2.84Å; C190-C192 VanDerWaalsContact C-N 3.34Å; C190-C192 PolarHBondContact O-N 3.27Å; C190-R193 PolarHBondContact O-N 2.93Å; C190-R193 VanDerWaalsContact O-N 3.12Å; C190-C194 PolarHBondContact O-N 3.49Å; C190-C194 PolarHBondContact O-SG 3.35Å
191L87.8Confident79.4Confident113 Ų113104 Ų10459%0.59256%0.564SS**Hα-helixtrans-59.9-40.7176.2-67.4174000112.3I187 R193 C194 R195I187-L191 HydrophobicContact CG2-CD1 3.98Å; I187-L191 HydrophobicContact CG2-CG 4.38Å; I187-L191 WeakPolarHBondContact O-CG 3.34Å; I187-L191 PolarHBondContact O-N 2.92Å; L191-R193 PolarHBondContact O-N 3.44Å; L191-C194 PolarHBondContact O-N 2.89Å; L191-R195 WeakPolarHBondContact O-CB 3.38Å; L191-R195 PolarHBondContact O-N 3.12Å
192C84.7Confident77.3Confident62 Ų62101.8 Ų101.842%0.41957%0.566SS.*Hα-helixtrans-64-37.7175-72.80000112.7G188 L189 C190 R196G188-C192 WeakPolarHBondContact O-CB 3.28Å; G188-C192 PolarHBondContact O-N 3.44Å; G188-C192 PolarHBondContact O-SG 2.91Å; L189-C192 PolarHBondContact O-N 2.82Å; C190-C192 VanDerWaalsContact C-N 3.34Å; C190-C192 PolarHBondContact O-N 3.27Å; C192-R196 WeakPolarHBondContact O-CG 3.37Å; C192-R196 PolarHBondContact O-N 3.5Å; C192-R196 VanDerWaalsContact O-N 3.15Å
193R79.5Confident75.3Confident190 Ų190105.1 Ų105.172%0.71759%0.585SS**Hα-helixtrans-70.3-44.1175.2-71.6-172.375.788.43.3111.6L189 C190 L191 R195 R196 G197L189-R193 WeakPolarHBondContact O-CG 3.4Å; L189-R193 PolarHBondContact O-N 3.37Å; C190-R193 PolarHBondContact O-N 2.93Å; C190-R193 VanDerWaalsContact O-N 3.12Å; L191-R193 PolarHBondContact O-N 3.44Å; R193-R195 VanDerWaalsContact C-N 3.31Å; R193-R195 PolarHBondContact O-N 3.01Å; R193-R196 PolarHBondContact O-N 3.31Å; R193-G197 PolarHBondContact O-N 3.4Å
194C74.1Confident73.3Confident74 Ų74109.1 Ų109.150%0.560%0.597SS.*Hα-helixtrans-56.9-44.7173.9-66.90000111.6C190 L191 G197 I198C190-C194 PolarHBondContact O-N 3.49Å; C190-C194 PolarHBondContact O-SG 3.35Å; L191-C194 PolarHBondContact O-N 2.89Å; C194-G197 PolarHBondContact O-N 3.42Å; C194-I198 PolarHBondContact O-N 3.33Å
195R65.8Low71Confident200 Ų200114.1 Ų114.176%0.75561%0.612SS**Hα-helixtrans-67.2-37.1-179.7-164.8170.7178.3174.1-1.4113.2L191 R193 G197 I198 T199L191-R195 WeakPolarHBondContact O-CB 3.38Å; L191-R195 PolarHBondContact O-N 3.12Å; R193-R195 VanDerWaalsContact C-N 3.31Å; R193-R195 PolarHBondContact O-N 3.01Å; R195-G197 VanDerWaalsContact C-N 3.34Å; R195-I198 PolarHBondContact O-N 3.21Å; R195-T199 PolarHBondContact O-N 3.49Å; R195-T199 PolarHBondContact O-OG1 3.45Å
196R59.5Low68.8Low179 Ų179122 Ų12268%0.67565%0.653SS**Hα-helixtrans-69.1-29.8172.8-70.3177.9-162.5159.87.1113C192 R193 I198 T199 G200C192-R196 WeakPolarHBondContact O-CG 3.37Å; C192-R196 PolarHBondContact O-N 3.5Å; C192-R196 VanDerWaalsContact O-N 3.15Å; R193-R196 PolarHBondContact O-N 3.31Å; R196-I198 VanDerWaalsContact C-N 3.31Å; R196-I198 PolarHBondContact O-N 3.15Å; R196-T199 PolarHBondContact O-OG1 3.23Å; R196-G200 PolarHBondContact O-N 3.38Å
197G58.2Low67.5Low57 Ų57124.3 Ų124.359%0.58866%0.661SS**Hα-helixtrans-64.2-34.5174.300000113.2R193 C194 R195R193-G197 PolarHBondContact O-N 3.4Å; C194-G197 PolarHBondContact O-N 3.42Å; R195-G197 VanDerWaalsContact C-N 3.34Å
198I56.7Low66.1Low139 Ų139125.3 Ų125.371%0.71367%0.667SS**Hα-helixtrans-77.6-33.1-179.2-63.5166.9000111.8C194 R195 R196C194-I198 PolarHBondContact O-N 3.33Å; R195-I198 PolarHBondContact O-N 3.21Å; R196-I198 VanDerWaalsContact C-N 3.31Å; R196-I198 PolarHBondContact O-N 3.15Å
199T55.9Low64.6Low95 Ų95130.6 Ų130.658%0.58369%0.687SS**Hα-helixtrans-85.2-9.5178.2560000114.2R195 R196R195-T199 PolarHBondContact O-N 3.49Å; R195-T199 PolarHBondContact O-OG1 3.45Å; R196-T199 PolarHBondContact O-OG1 3.23Å
200G54.3Low63Low63 Ų63131.7 Ų131.765%0.64969%0.693SS**THydrogen-bonded Turntrans-85.70.5-173.800000116.5R196R196-G200 PolarHBondContact O-N 3.38Å
201H49.7Very low61.3Low159 Ų159135.4 Ų135.474%0.73671%0.705SS**THydrogen-bonded Turntrans-99.6-13.9-176.1-155.7-28.4000113.9
202S51.6Low59.5Low90 Ų90136.9 Ų136.963%0.62971%0.713SS**SBendtrans-79.8-22.4-169.4-55.30000115.3K204S202-K204 VanDerWaalsContact C-N 3.28Å; S202-K204 PolarHBondContact O-N 3.11Å; S202-K204 VanDerWaalsContact O-N 3.11Å
203D53.3Low57.7Low152 Ų152142.2 Ų142.281%0.81373%0.734SS**THydrogen-bonded Turntrans-90.237.2-169.1-59.9-20.6000113.9
204K53.6Low56.1Low194 Ų194138.5 Ų138.584%0.84374%0.735SS**THydrogen-bonded Turntrans-134.715.7176-69.8-165.3176.6-173.20114.6S202S202-K204 VanDerWaalsContact C-N 3.28Å; S202-K204 PolarHBondContact O-N 3.11Å; S202-K204 VanDerWaalsContact O-N 3.11Å
205I47.4Very low54.6Low150 Ų150143.9 Ų143.977%0.76976%0.755SS**  trans-135.765.6176.5-45.7179.6000110.2
206L48.8Very low53.5Low249 Ų249138.8 Ų138.8100%1.30476%0.755SS**  trans-158.70143.5-136.893.1000110

Retrieved 206 of 206 residues in 114.9 ms (Link to these results)