G4VR33_SCHMA Loading...

ER membrane protein complex subunit 4

AlphaFold DB , UniProt , Accession G4VR33, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 182 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M44.4Very low46.3Very low236 Ų236133.4 Ų133.4100%1.16375%0.75SS**  0122.70-76.6165173.400108.1
2T44.6Very low46.9Very low134 Ų134131.3 Ų131.382%0.82274%0.742SS**  trans59.1101.8164.8440000120.9
3P40.6Very low47.1Very low114 Ų114134.6 Ų134.674%0.7474%0.744SS**  trans-97.2140.115635.3-24.4000111.5
4C49Very low47.5Very low119 Ų119127.9 Ų127.980%0.80471%0.711SS**  trans-154.5107.8162-72.80000106.3
5I43.1Very low47.9Very low150 Ų150131.1 Ų131.177%0.76972%0.715SS**  52.8106.880.3-54.8166.5000111.7
6S45.9Very low48.4Very low110 Ų110132.7 Ų132.777%0.76972%0.722SS**  173.593.1128-170.50000108.1
7F49.9Very low49Very low179 Ų179130.9 Ų130.979%0.78572%0.722SS**  59.69795.6-95.3-89.9000115
8N44.2Very low49.9Very low108 Ų108131.8 Ų131.858%0.57872%0.717SS**  trans30.288135-164.534.3000118.6S11N8-S11 PolarHBondContact ND2-OG 3.08Å; N8-S11 VanDerWaalsContact ND2-OG 3.08Å; N8-S11 WeakPolarHBondContact OD1-CB 3.49Å; N8-S11 PolarHBondContact OD1-OG 3.29Å
9E46.6Very low50.8Low172 Ų172134.2 Ų134.280%0.80472%0.72SS**SBendtrans-112.7-11.8163.7-134.3174.3121.800113.1
10S49.6Very low52.1Low99 Ų99138.3 Ų138.369%0.69273%0.725SS**Hα-helixtrans-81-19.3-175.2510000114.4
11S51.6Low53.2Low46 Ų46135.4 Ų135.432%0.32272%0.72SS.*Hα-helixtrans-75.6-29.7-178.274.30000113.3N8 S14 F15N8-S11 PolarHBondContact ND2-OG 3.08Å; N8-S11 VanDerWaalsContact ND2-OG 3.08Å; N8-S11 WeakPolarHBondContact OD1-CB 3.49Å; N8-S11 PolarHBondContact OD1-OG 3.29Å; S11-S14 PolarHBondContact O-OG 3.42Å; S11-F15 VanDerWaalsContact O-CD2 3.28Å; S11-F15 WeakPolarHBondContact O-CD2 3.28Å
12V53Low54.1Low108 Ų108130.3 Ų130.366%0.65570%0.697SS**Hα-helixtrans-87.5-35.1-170.7-170.70000112.5S14V12-S14 VanDerWaalsContact C-N 3.25Å; V12-S14 PolarHBondContact O-N 3.36Å
13F50.2Low55.3Low175 Ų175130.5 Ų130.577%0.76869%0.693SS**Hα-helixtrans-73.3-17.5176.7-120.2-89000113.6F15F13-F15 VanDerWaalsContact C-N 3.33Å; F13-F15 PolarHBondContact O-N 2.96Å
14S52.9Low56.9Low41 Ų41134.1 Ų134.129%0.28770%0.698SS.*THydrogen-bonded Turntrans-73.7-20.1-177.477.80000114.5S11 V12S11-S14 PolarHBondContact O-OG 3.42Å; V12-S14 VanDerWaalsContact C-N 3.25Å; V12-S14 PolarHBondContact O-N 3.36Å
15F53.6Low57.6Low175 Ų175134.8 Ų134.877%0.76869%0.693SS**THydrogen-bonded Turntrans-82.6-22.1-175-82.2-83.1000114.1S11 F13S11-F15 VanDerWaalsContact O-CD2 3.28Å; S11-F15 WeakPolarHBondContact O-CD2 3.28Å; F13-F15 VanDerWaalsContact C-N 3.33Å; F13-F15 PolarHBondContact O-N 2.96Å
16L55.4Low58.1Low157 Ų157131.6 Ų131.682%0.82268%0.684SS**THydrogen-bonded Turntrans-100.1-24-177.5-78.4157.1000113.9
17S58.2Low58.5Low103 Ų103135.5 Ų135.572%0.7269%0.687SS**THydrogen-bonded Turntrans-83.9-8.2-176.2-168.50000114.9
18K66.3Low58.7Low147 Ų147131.2 Ų131.264%0.63969%0.685SS**THydrogen-bonded Turntrans-91.2-0.6-172.8-70.6-176.9-179.2-178.70115.1W20 A21K18-W20 PolarHBondContact O-N 3.16Å; K18-A21 PolarHBondContact O-N 3.03Å; K18-A21 VanDerWaalsContact O-N 3.16Å
19K66.9Low58.9Low176 Ų176136.9 Ų136.977%0.76570%0.698SS**THydrogen-bonded Turntrans-62.7-21.2-170.6-148.6170.285.1-179.50114.4
20W75.3Confident59.2Low217 Ų217136.4 Ų136.482%0.82270%0.699SS**THydrogen-bonded Turntrans-124.711.2178.6-59.1101.8000113.5K18 L22K18-W20 PolarHBondContact O-N 3.16Å; W20-L22 PolarHBondContact O-N 3.4Å
21A75.1Confident59.2Low77 Ų77137.7 Ų137.764%0.63670%0.703SS**  trans-77.393.6178.100000109.5K18K18-A21 PolarHBondContact O-N 3.03Å; K18-A21 VanDerWaalsContact O-N 3.16Å
22L63.9Low59.2Low130 Ų130141.5 Ų141.568%0.68173%0.725SS**  trans-91.7117.1173.9-78.8154.7000109.1W20 F24W20-L22 PolarHBondContact O-N 3.4Å; L22-F24 HydrophobicContact CB-CE2 3.95Å; L22-F24 HydrophobicContact CB-CZ 3.99Å
23D70.9Confident58.9Low138 Ų138141.6 Ų141.674%0.73873%0.727SS**  trans-97.2112.2178.2-151.8-17.7000109.6
24F73.2Confident58.6Low190 Ų190139.9 Ų139.983%0.83373%0.726SS**SBendtrans-89.40-172.5-66.6-81.7000114L22L22-F24 HydrophobicContact CB-CE2 3.95Å; L22-F24 HydrophobicContact CB-CZ 3.99Å
25N63.4Low58.3Low133 Ų133146.9 Ų146.971%0.71176%0.755SS**  trans-114.87.9-170.7-153.4-7.5000114.2K27N25-K27 PolarHBondContact O-N 2.88Å
26S53.8Low58.1Low82 Ų82144 Ų14457%0.57375%0.746SS**  trans-75.892.2177.4176.10000111.1A28S26-A28 PolarHBondContact O-N 3.02Å
27K55.3Low57.4Low193 Ų193144 Ų14484%0.83975%0.747SS**THydrogen-bonded Turntrans-62.910.7168.2-76.1-174.8174.9-176.60114.2N25N25-K27 PolarHBondContact O-N 2.88Å
28A53.2Low57Low88 Ų88144.9 Ų144.973%0.72775%0.748SS**THydrogen-bonded Turntrans-94.113.5-170.600000115.4S26S26-A28 PolarHBondContact O-N 3.02Å
29R47.9Very low56.2Low228 Ų228143.2 Ų143.286%0.8675%0.752SS**  trans-126.833.5-174.6-155.6-162.5-76.9-121.6-3.4115.5
30I54.6Low55.6Low162 Ų162144.1 Ų144.183%0.83176%0.759SS**SBendtrans-111.8-0.8177.3-61.8-179.5000113
31T49.7Very low55.1Low125 Ų125141 Ų14177%0.76776%0.758SS**SBendtrans-136.5101.21789.70000110.7
32T50.4Low54.7Low127 Ų127146.7 Ų146.778%0.77977%0.768SS**  trans26.9154.7145.453.70000120.8
33P47.9Very low55.3Low109 Ų109146.3 Ų146.371%0.70876%0.763SS**  cis-133.5144.2-40.134.7-18.2000110.7
34N42.8Very low55.8Low140 Ų140144 Ų14475%0.74976%0.755SS**  trans-117.877.2158.8-151.12.2000108.4I36N34-I36 PolarHBondContact O-N 3.36Å; N34-I36 WeakPolarHBondContact OD1-CD1 3.36Å; N34-I36 WeakPolarHBondContact OD1-CG1 3.21Å
35Q45.7Very low56Low188 Ų188141.6 Ų141.688%0.87976%0.759SS**  trans-75.672.9171-169-173.13.200107.8
36I50.2Low56.5Low115 Ų115138.9 Ų138.959%0.5976%0.762SS**  trans-125.195.2169.4-62.9177.3000106.6N34 T38N34-I36 PolarHBondContact O-N 3.36Å; N34-I36 WeakPolarHBondContact OD1-CD1 3.36Å; N34-I36 WeakPolarHBondContact OD1-CG1 3.21Å; I36-T38 PolarHBondContact O-N 3Å
37N41.4Very low57.8Low155 Ų155140.7 Ų140.783%0.82976%0.757SS**  trans45.968.2152.3-55.4-36.2000116.7
38T49.8Very low58.6Low123 Ų123136.3 Ų136.376%0.75575%0.746SS**  trans-111114.7151.9520000107.8I36 E40I36-T38 PolarHBondContact O-N 3Å; T38-E40 PolarHBondContact O-N 3.02Å
39P49.9Very low59.4Low112 Ų112138 Ų13873%0.72774%0.743SS**  trans-57.8134.3177.125.9-32.4000108.5L41P39-L41 PolarHBondContact O-N 2.96Å
40E52.8Low60.2Low195 Ų195134.9 Ų134.991%0.91173%0.731SS**  trans-19.894.1173.5-106.8-159.1123.100113.4T38 K42T38-E40 PolarHBondContact O-N 3.02Å; E40-K42 PolarHBondContact O-N 2.95Å
41L65.7Low60.8Low150 Ų150132.7 Ų132.779%0.78573%0.73SS**  trans-74.499.2167.9-117.278.3000106.7P39 H43P39-L41 PolarHBondContact O-N 2.96Å; L41-H43 PolarHBondContact O-N 3.09Å; L41-H43 VanDerWaalsContact O-N 3.09Å
42K67.3Low61.2Low198 Ų198135.4 Ų135.486%0.86173%0.732SS**  trans-50.6114.9175.3-168.5171.1-174.9175.30109.5E40E40-K42 PolarHBondContact O-N 2.95Å
43H75.3Confident61.4Low122 Ų122134.4 Ų134.457%0.56573%0.728SS**PPolyproline II helixtrans-55.4143.2178.6-60.5160.3000110.8L41 Y47L41-H43 PolarHBondContact O-N 3.09Å; L41-H43 VanDerWaalsContact O-N 3.09Å; H43-Y47 HydrophobicContact CB-CD1 3.93Å; H43-Y47 HydrophobicContact CB-CG 4.21Å; H43-Y47 AromaticContact CG-CD1 3.75Å; H43-Y47 AromaticContact ND1-CD1 3.61Å; H43-Y47 AromaticContact ND1-CE1 3.96Å
44P81.1Confident61.7Low88 Ų88132.2 Ų132.257%0.57172%0.719SS**PPolyproline II helixtrans-64150.8-179.826.4-32.9000110.7G46 Y47P44-G46 PolarHBondContact O-N 3.04Å; P44-G46 VanDerWaalsContact O-N 3.13Å; P44-Y47 WeakPolarHBondContact O-CB 3.45Å; P44-Y47 PolarHBondContact O-N 2.57Å
45P77.3Confident62.4Low141 Ų141130.9 Ų130.992%0.91672%0.716SS**THydrogen-bonded Turntrans-54.4121.3175.3-20.830.6000110.5
46G75.6Confident62.8Low76 Ų76125.9 Ų125.978%0.78471%0.707SS**THydrogen-bonded Turntrans100-2.9-177.900000115.6P44 V48P44-G46 PolarHBondContact O-N 3.04Å; P44-G46 VanDerWaalsContact O-N 3.13Å; G46-V48 PolarHBondContact O-N 3.13Å
47Y79.4Confident63Low120 Ų120124.8 Ų124.847%0.47171%0.705SS.*  trans-70.7118.6170-172.3-99.3000110.5H43 P44 D49H43-Y47 HydrophobicContact CB-CD1 3.93Å; H43-Y47 HydrophobicContact CB-CG 4.21Å; H43-Y47 AromaticContact CG-CD1 3.75Å; H43-Y47 AromaticContact ND1-CD1 3.61Å; H43-Y47 AromaticContact ND1-CE1 3.96Å; P44-Y47 WeakPolarHBondContact O-CB 3.45Å; P44-Y47 PolarHBondContact O-N 2.57Å; Y47-D49 HydrophobicContact CE1-CB 4.48Å; Y47-D49 VanDerWaalsContact CE1-CG 3.44Å; Y47-D49 VanDerWaalsContact CE1-OD1 3.24Å; Y47-D49 WeakPolarHBondContact CE1-OD1 3.43Å; Y47-D49 WeakPolarHBondContact CE1-OD2 3.24Å; Y47-D49 PolarHBondContact OH-OD1 3.32Å
48V73.6Confident63.5Low101 Ų101126 Ų12661%0.61270%0.698SS**  trans-124.4122.1170.1-69.30000107.6G46 R50G46-V48 PolarHBondContact O-N 3.13Å; V48-R50 PolarHBondContact O-N 3.22Å
49D69.1Low63.8Low123 Ų123122.9 Ų122.966%0.65868%0.677SS**  trans-71.169.6170.5-84.3-43000109.6Y47Y47-D49 HydrophobicContact CE1-CB 4.48Å; Y47-D49 VanDerWaalsContact CE1-CG 3.44Å; Y47-D49 VanDerWaalsContact CE1-OD1 3.24Å; Y47-D49 WeakPolarHBondContact CE1-OD1 3.43Å; Y47-D49 WeakPolarHBondContact CE1-OD2 3.24Å; Y47-D49 PolarHBondContact OH-OD1 3.32Å
50R65.4Low64.2Low163 Ų163122.4 Ų122.462%0.61568%0.676SS**  trans-132.2120.2173.2-72.3-171.8-178-172.71.6109.7V48 F52V48-R50 PolarHBondContact O-N 3.22Å; R50-F52 PolarHBondContact O-N 2.8Å
51S67.7Low65Low115 Ų115117.5 Ų117.580%0.80466%0.656SS**  trans-60.7115.7161.650.50000108.7
52F57.9Low65.3Low182 Ų182114.9 Ų114.980%0.79865%0.648SS**SBendtrans-51.3135.2166.1-72.5-93.4000108.9R50 A54R50-F52 PolarHBondContact O-N 2.8Å; F52-A54 HydrophobicContact CD1-CB 4.4Å
53P53.2Low65.8Low107 Ų107111.5 Ų111.570%0.69564%0.635SS**  cis-113120.845.335-25.3000113.6T55P53-T55 PolarHBondContact O-N 2.99Å
54A54.6Low65.9Low63 Ų63108.4 Ų108.452%0.52162%0.622SS.*THydrogen-bonded Turntrans-79.941.3-178.900000114F52F52-A54 HydrophobicContact CD1-CB 4.4Å
55T56.8Low65.5Low111 Ų111106.9 Ų106.968%0.68161%0.608SS**THydrogen-bonded Turntrans-82.4-21.9179.732.50000114P53P53-T55 PolarHBondContact O-N 2.99Å
56A55.4Low65.5Low84 Ų84106.6 Ų106.669%0.69459%0.589SS**SBendtrans-95.8-11.5-172.400000115.7
57V54.2Low65.7Low91 Ų91108.3 Ų108.355%0.55258%0.576SS**SBendtrans-118.80.5-168.7-1660000114
58R52.5Low65.8Low181 Ų181107.9 Ų107.968%0.68357%0.574SS**SBendtrans-92.72.4169.6-82.8-176.977.9147.71.5113.8S60R58-S60 VanDerWaalsContact C-N 3.3Å; R58-S60 PolarHBondContact O-N 2.64Å
59D54.1Low66.2Low58 Ų58103.7 Ų103.731%0.3155%0.549SS..THydrogen-bonded Turntrans-85.713.4-175.2-83-36.4000114.7M65 R68D59-M65 WeakPolarHBondContact O-CG 3.35Å; D59-R68 IonicContact OD1-CZ 3.8Å; D59-R68 IonicContact OD1-NH1 2.64Å; D59-R68 PolarHBondContact OD1-NH1 3.37Å; D59-R68 IonicContact OD2-NH1 2.93Å; D59-R68 PolarHBondContact OD2-NH1 2.93Å
60S59.4Low66.9Low101 Ų101102.9 Ų102.971%0.70654%0.537SS*.THydrogen-bonded Turntrans-106.7-5.9-178.2-55.50000115.1R58 P62R58-S60 VanDerWaalsContact C-N 3.3Å; R58-S60 PolarHBondContact O-N 2.64Å; S60-P62 WeakPolarHBondContact O-CD 3.32Å
61D69.9Low67.9Low93 Ų9398.3 Ų98.350%0.49753%0.525SS..  trans-84.1111.9173.7-71.1-32.4000109.5H63 L64 M65D61-H63 PolarHBondContact O-N 2.78Å; D61-L64 HydrophobicContact CB-CB 4.02Å; D61-L64 HydrophobicContact CB-CD1 3.89Å; D61-L64 HydrophobicContact CB-CG 3.8Å; D61-L64 PolarHBondContact O-N 2.88Å; D61-L64 WeakPolarHBondContact OD2-CD1 3.34Å; D61-M65 PolarHBondContact O-N 3.35Å
62P72Confident68.7Low94 Ų9495.2 Ų95.261%0.6150%0.499SS*.Hα-helixtrans-61-26.3-173.524.2-34.8000112.8S60 R66S60-P62 WeakPolarHBondContact O-CD 3.32Å; P62-R66 WeakPolarHBondContact O-CB 3.46Å; P62-R66 PolarHBondContact O-N 3.49Å; P62-R66 VanDerWaalsContact O-N 3.12Å
63H77.1Confident69.9Low127 Ų12786.6 Ų86.659%0.58846%0.461SS*.Hα-helixtrans-69.6-43.7173.7-174.7-94.1000112.2D61 R66 Q67D61-H63 PolarHBondContact O-N 2.78Å; H63-R66 PolarHBondContact O-N 3.43Å; H63-Q67 PolarHBondContact O-N 2.92Å; H63-Q67 VanDerWaalsContact O-N 3.09Å
64L76.8Confident71.5Confident57 Ų5784.4 Ų84.430%0.29844%0.443SS..Hα-helixtrans-70.1-38.9178.4-62-176.1000111.3D61 R66 Q67 R68D61-L64 HydrophobicContact CB-CB 4.02Å; D61-L64 HydrophobicContact CB-CD1 3.89Å; D61-L64 HydrophobicContact CB-CG 3.8Å; D61-L64 PolarHBondContact O-N 2.88Å; D61-L64 WeakPolarHBondContact OD2-CD1 3.34Å; L64-R66 PolarHBondContact O-N 3.23Å; L64-Q67 PolarHBondContact O-N 3.05Å; L64-R68 WeakPolarHBondContact O-CB 3.38Å; L64-R68 PolarHBondContact O-N 2.81Å
65M73.4Confident73Confident57 Ų5782.5 Ų82.528%0.28143%0.429SS..Hα-helixtrans-59.6-45.6173.4-65.2-178.585.600111.4D59 D61 Q67 R68 S69D59-M65 WeakPolarHBondContact O-CG 3.35Å; D61-M65 PolarHBondContact O-N 3.35Å; M65-Q67 PolarHBondContact O-N 3.08Å; M65-R68 PolarHBondContact O-N 2.97Å; M65-S69 WeakPolarHBondContact O-CB 3.48Å; M65-S69 PolarHBondContact O-N 3.47Å; M65-S69 PolarHBondContact O-OG 3.09Å; M65-S69 VanDerWaalsContact O-OG 3.08Å
66R76.4Confident74.3Confident134 Ų13477.5 Ų77.551%0.50640%0.399SS..Hα-helixtrans-62.5-41.9178.2-173.1-176.5-65.5144.1-0.2112.4P62 H63 L64 S69 W70P62-R66 WeakPolarHBondContact O-CB 3.46Å; P62-R66 PolarHBondContact O-N 3.49Å; P62-R66 VanDerWaalsContact O-N 3.12Å; H63-R66 PolarHBondContact O-N 3.43Å; L64-R66 PolarHBondContact O-N 3.23Å; R66-S69 WeakPolarHBondContact CA-OG 3.37Å; R66-S69 PolarHBondContact O-OG 3.12Å; R66-S69 VanDerWaalsContact O-OG 3.11Å; R66-W70 WeakPolarHBondContact O-CB 3.39Å; R66-W70 PolarHBondContact O-N 3.35Å
67Q80.9Confident75.8Confident112 Ų11277 Ų7752%0.52338%0.381SS..Hα-helixtrans-66.3-40.2176.4-172176.73.900111.1H63 L64 M65 N71H63-Q67 PolarHBondContact O-N 2.92Å; H63-Q67 VanDerWaalsContact O-N 3.09Å; L64-Q67 PolarHBondContact O-N 3.05Å; M65-Q67 PolarHBondContact O-N 3.08Å; Q67-N71 PolarHBondContact O-N 2.98Å; Q67-N71 VanDerWaalsContact O-N 3.12Å; Q67-N71 PolarHBondContact O-ND2 3.11Å
68R81.1Confident77.3Confident112 Ų11279.7 Ų79.742%0.42338%0.381SS..Hα-helixtrans-63.7-46.4175.4-176.6178.6178.6179.3-2.1111.6D59 L64 M65 N71 I72D59-R68 IonicContact OD1-CZ 3.8Å; D59-R68 IonicContact OD1-NH1 2.64Å; D59-R68 PolarHBondContact OD1-NH1 3.37Å; D59-R68 IonicContact OD2-NH1 2.93Å; D59-R68 PolarHBondContact OD2-NH1 2.93Å; L64-R68 WeakPolarHBondContact O-CB 3.38Å; L64-R68 PolarHBondContact O-N 2.81Å; M65-R68 PolarHBondContact O-N 2.97Å; R68-N71 WeakPolarHBondContact O-CB 3.38Å; R68-N71 PolarHBondContact O-N 3.45Å; R68-N71 VanDerWaalsContact O-N 3.15Å; R68-I72 HydrophobicContact CG-CD1 4.16Å; R68-I72 WeakPolarHBondContact O-CG1 3.38Å; R68-I72 PolarHBondContact O-N 3.02Å
69S82.2Confident78.9Confident13 Ų1376 Ų769%0.09137%0.372CS..Hα-helixtrans-68.5-35.7-179.158.30000112.8M65 R66 N71 I72 A73 Q131M65-S69 WeakPolarHBondContact O-CB 3.48Å; M65-S69 PolarHBondContact O-N 3.47Å; M65-S69 PolarHBondContact O-OG 3.09Å; M65-S69 VanDerWaalsContact O-OG 3.08Å; R66-S69 WeakPolarHBondContact CA-OG 3.37Å; R66-S69 PolarHBondContact O-OG 3.12Å; R66-S69 VanDerWaalsContact O-OG 3.11Å; S69-N71 VanDerWaalsContact C-N 3.33Å; S69-N71 PolarHBondContact O-N 3.49Å; S69-I72 PolarHBondContact O-N 3.25Å; S69-A73 WeakPolarHBondContact O-CB 3.39Å; S69-A73 PolarHBondContact O-N 2.75Å; S69-Q131 VanDerWaalsContact CB-OE1 3.24Å; S69-Q131 VanDerWaalsContact OG-CD 3.22Å; S69-Q131 PolarHBondContact OG-NE2 3.42Å; S69-Q131 PolarHBondContact OG-OE1 3.45Å
70W84.6Confident80.5Confident105 Ų10574.3 Ų74.340%0.39836%0.364SS..Hα-helixtrans-62.5-38.9169.6-105.1116.9000112.7R66 I72 A73 L74 V134R66-W70 WeakPolarHBondContact O-CB 3.39Å; R66-W70 PolarHBondContact O-N 3.35Å; W70-I72 VanDerWaalsContact C-N 3.33Å; W70-I72 PolarHBondContact O-N 3.15Å; W70-A73 PolarHBondContact O-N 3.47Å; W70-L74 HydrophobicContact CE3-CD1 3.62Å; W70-L74 HydrophobicContact CE3-CD2 4.32Å; W70-L74 HydrophobicContact CE3-CG 3.67Å; W70-L74 HydrophobicContact CZ3-CD1 4Å; W70-L74 HydrophobicContact CZ3-CD2 3.94Å; W70-L74 HydrophobicContact CZ3-CG 3.82Å; W70-L74 WeakPolarHBondContact O-CB 3.48Å; W70-L74 WeakPolarHBondContact O-CG 3.45Å; W70-L74 PolarHBondContact O-N 3.12Å; W70-V134 HydrophobicContact CH2-CG2 4.35Å; W70-V134 HydrophobicContact CZ3-CG1 4.31Å; W70-V134 HydrophobicContact CZ3-CG2 4.48Å
71N85.9Confident81.9Confident68 Ų6873.6 Ų73.636%0.36436%0.356SS..Hα-helixtrans-64.6-36.7174.9-83.6-64.3000112.7Q67 R68 S69 G75 R78Q67-N71 PolarHBondContact O-N 2.98Å; Q67-N71 VanDerWaalsContact O-N 3.12Å; Q67-N71 PolarHBondContact O-ND2 3.11Å; R68-N71 WeakPolarHBondContact O-CB 3.38Å; R68-N71 PolarHBondContact O-N 3.45Å; R68-N71 VanDerWaalsContact O-N 3.15Å; S69-N71 VanDerWaalsContact C-N 3.33Å; S69-N71 PolarHBondContact O-N 3.49Å; N71-G75 PolarHBondContact O-N 3.03Å; N71-R78 PolarHBondContact O-NH1 3.35Å; N71-R78 PolarHBondContact OD1-NH1 3.48Å; N71-R78 PolarHBondContact OD1-NH2 3.01Å
72I83.3Confident82.6Confident50 Ų5074.2 Ų74.226%0.25636%0.358SS..Hα-helixtrans-69.7-47175.9-65.7166.7000110.2R68 S69 W70 L74 G75 T119 L122R68-I72 HydrophobicContact CG-CD1 4.16Å; R68-I72 WeakPolarHBondContact O-CG1 3.38Å; R68-I72 PolarHBondContact O-N 3.02Å; S69-I72 PolarHBondContact O-N 3.25Å; W70-I72 VanDerWaalsContact C-N 3.33Å; W70-I72 PolarHBondContact O-N 3.15Å; I72-L74 VanDerWaalsContact C-N 3.29Å; I72-L74 PolarHBondContact O-N 3.21Å; I72-G75 PolarHBondContact O-N 2.95Å; I72-T119 HydrophobicContact CG2-CG2 3.71Å; I72-L122 HydrophobicContact CD1-CD2 3.61Å
73A84.5Confident83.2Confident0 Ų070.7 Ų70.70%033%0.334CS..Hα-helixtrans-59.8-38.5178.800000112.4S69 W70 G75 Q131 V134S69-A73 WeakPolarHBondContact O-CB 3.39Å; S69-A73 PolarHBondContact O-N 2.75Å; W70-A73 PolarHBondContact O-N 3.47Å; A73-G75 VanDerWaalsContact C-N 3.29Å; A73-G75 PolarHBondContact O-N 2.87Å; A73-Q131 HydrophobicContact CB-CB 4.06Å; A73-Q131 HydrophobicContact CB-CG 4.42Å; A73-Q131 WeakPolarHBondContact CB-O 3.37Å; A73-V134 HydrophobicContact CB-CB 4.37Å; A73-V134 HydrophobicContact CB-CG1 4.26Å
74L85.9Confident83.5Confident62 Ų6268.5 Ų68.533%0.32533%0.326SS..THydrogen-bonded Turntrans-81.7-2.6175.4-69.4168.6000114W70 I72 F77 R78 V134W70-L74 HydrophobicContact CE3-CD1 3.62Å; W70-L74 HydrophobicContact CE3-CD2 4.32Å; W70-L74 HydrophobicContact CE3-CG 3.67Å; W70-L74 HydrophobicContact CZ3-CD1 4Å; W70-L74 HydrophobicContact CZ3-CD2 3.94Å; W70-L74 HydrophobicContact CZ3-CG 3.82Å; W70-L74 WeakPolarHBondContact O-CB 3.48Å; W70-L74 WeakPolarHBondContact O-CG 3.45Å; W70-L74 PolarHBondContact O-N 3.12Å; I72-L74 VanDerWaalsContact C-N 3.29Å; I72-L74 PolarHBondContact O-N 3.21Å; L74-F77 HydrophobicContact CD2-CD2 4.36Å; L74-F77 PolarHBondContact O-N 3.39Å; L74-R78 PolarHBondContact O-N 3.48Å; L74-V134 HydrophobicContact CD2-CG1 4.3Å
75G86.2Confident83.9Confident22 Ų2271.9 Ų71.923%0.22734%0.339CS..Hα-helixtrans-53.2-53.4-179.900000113.3N71 I72 A73 F77 R78N71-G75 PolarHBondContact O-N 3.03Å; I72-G75 PolarHBondContact O-N 2.95Å; A73-G75 VanDerWaalsContact C-N 3.29Å; A73-G75 PolarHBondContact O-N 2.87Å; G75-F77 PolarHBondContact O-N 3.2Å; G75-R78 PolarHBondContact O-N 3.1Å
76P84.2Confident84.1Confident7 Ų773.6 Ų73.65%0.04535%0.348CS..Hα-helixtrans-60.5-41.4177.3-24.234.3000112.8R78 Q79 V80 Y135 N139 I142P76-R78 VanDerWaalsContact C-N 3.27Å; P76-R78 PolarHBondContact O-N 3.46Å; P76-Q79 WeakPolarHBondContact O-CB 3.45Å; P76-Q79 PolarHBondContact O-N 3.25Å; P76-V80 PolarHBondContact O-N 3.46Å; P76-Y135 HydrophobicContact CG-CD2 3.67Å; P76-Y135 HydrophobicContact CG-CE2 3.79Å; P76-N139 WeakPolarHBondContact CG-ND2 3.27Å; P76-I142 HydrophobicContact CB-CD1 3.87Å; P76-I142 WeakPolarHBondContact O-CD1 3.41Å
77F87.4Confident84.1Confident74 Ų7469.3 Ų69.333%0.32533%0.334SS..Hα-helixtrans-59.5-35.9179.3-83.5-78.9000113.5L74 G75 Q79 V80 P81 V134 L137L74-F77 HydrophobicContact CD2-CD2 4.36Å; L74-F77 PolarHBondContact O-N 3.39Å; G75-F77 PolarHBondContact O-N 3.2Å; F77-Q79 PolarHBondContact O-N 3.25Å; F77-V80 WeakPolarHBondContact O-CB 3.34Å; F77-V80 PolarHBondContact O-N 2.9Å; F77-P81 VanDerWaalsContact O-CD 3.32Å; F77-P81 WeakPolarHBondContact O-CD 3.18Å; F77-V134 HydrophobicContact CD2-CG1 4.03Å; F77-V134 HydrophobicContact CE2-CG1 3.69Å; F77-V134 WeakPolarHBondContact CE2-O 3.32Å; F77-L137 HydrophobicContact CE1-CD2 4.32Å; F77-L137 HydrophobicContact CE2-CD2 4.43Å; F77-L137 HydrophobicContact CZ-CD2 3.55Å
78R85.8Confident84.2Confident147 Ų14774 Ų7456%0.55535%0.347SS*.Hα-helixtrans-65.3-24.5176.1-68.8174.8179.8149.2-0.7113.1N71 L74 G75 P76N71-R78 PolarHBondContact O-NH1 3.35Å; N71-R78 PolarHBondContact OD1-NH1 3.48Å; N71-R78 PolarHBondContact OD1-NH2 3.01Å; L74-R78 PolarHBondContact O-N 3.48Å; G75-R78 PolarHBondContact O-N 3.1Å; P76-R78 VanDerWaalsContact C-N 3.27Å; P76-R78 PolarHBondContact O-N 3.46Å
79Q85.8Confident84Confident102 Ų10273.9 Ų73.948%0.47735%0.354SS..Hα-helixtrans-82.3-20178.2-59.5-177.99.600112.6P76 F77 M82 N83 I142P76-Q79 WeakPolarHBondContact O-CB 3.45Å; P76-Q79 PolarHBondContact O-N 3.25Å; F77-Q79 PolarHBondContact O-N 3.25Å; Q79-M82 PolarHBondContact O-N 3.43Å; Q79-N83 PolarHBondContact O-N 3.31Å; Q79-N83 PolarHBondContact O-ND2 3.34Å; Q79-I142 HydrophobicContact CB-CD1 4.32Å
80V87.4Confident83.4Confident24 Ų2475.3 Ų75.315%0.14536%0.364CS..Hα-helixtrans-57.5-50.4-178.1170.90000112.5P76 F77 M82 N83 L84 V141 I142 L145P76-V80 PolarHBondContact O-N 3.46Å; F77-V80 WeakPolarHBondContact O-CB 3.34Å; F77-V80 PolarHBondContact O-N 2.9Å; V80-M82 VanDerWaalsContact C-N 3.3Å; V80-M82 PolarHBondContact O-N 3.3Å; V80-N83 PolarHBondContact O-N 3.24Å; V80-L84 WeakPolarHBondContact O-CB 3.44Å; V80-L84 PolarHBondContact O-N 3.24Å; V80-V141 HydrophobicContact CG1-CG1 4.41Å; V80-V141 HydrophobicContact CG2-CG1 4.02Å; V80-I142 HydrophobicContact CG2-CD1 4.41Å; V80-I142 HydrophobicContact CG2-CG1 3.62Å; V80-L145 HydrophobicContact CG1-CD1 3.69Å
81P88.1Confident82.4Confident85 Ų8571.9 Ų71.955%0.55236%0.361SS*.Hα-helixtrans-60.2-37.8178-2534.9000113.4F77 L84 F85F77-P81 VanDerWaalsContact O-CD 3.32Å; F77-P81 WeakPolarHBondContact O-CD 3.18Å; P81-L84 PolarHBondContact O-N 3.06Å; P81-F85 VanDerWaalsContact O-CB 3.27Å; P81-F85 WeakPolarHBondContact O-CB 3.48Å; P81-F85 PolarHBondContact O-N 3.21Å
82M84.8Confident81.4Confident107 Ų10772.8 Ų72.853%0.52737%0.373SS..Hα-helixtrans-63.5-48.2176.9-178.5-172.37100110.9Q79 V80 L84 F85 I86Q79-M82 PolarHBondContact O-N 3.43Å; V80-M82 VanDerWaalsContact C-N 3.3Å; V80-M82 PolarHBondContact O-N 3.3Å; M82-L84 VanDerWaalsContact C-N 3.34Å; M82-L84 PolarHBondContact O-N 2.96Å; M82-F85 PolarHBondContact O-N 3.18Å; M82-I86 HydrophobicContact CG-CD1 4.24Å; M82-I86 WeakPolarHBondContact O-CG1 3.42Å; M82-I86 PolarHBondContact O-N 3.43Å; M82-I86 VanDerWaalsContact O-N 3.1Å
83N84.9Confident80.5Confident20 Ų2074 Ų7411%0.10739%0.385CS..Hα-helixtrans-64.5-38.9178.4-70.7-45.4000112.2Q79 V80 I86 M87 L105Q79-N83 PolarHBondContact O-N 3.31Å; Q79-N83 PolarHBondContact O-ND2 3.34Å; V80-N83 PolarHBondContact O-N 3.24Å; N83-I86 PolarHBondContact O-N 3.35Å; N83-M87 PolarHBondContact O-N 3.49Å; N83-L105 WeakPolarHBondContact OD1-CD1 3.43Å
84L84.4Confident79.5Confident81 Ų8180.5 Ų80.542%0.42442%0.419SS..Hα-helixtrans-67.3-38.3177.5-169.7132.2000111.9V80 P81 M82 M87 W88 L145V80-L84 WeakPolarHBondContact O-CB 3.44Å; V80-L84 PolarHBondContact O-N 3.24Å; P81-L84 PolarHBondContact O-N 3.06Å; M82-L84 VanDerWaalsContact C-N 3.34Å; M82-L84 PolarHBondContact O-N 2.96Å; L84-M87 HydrophobicContact CD1-CE 4.42Å; L84-M87 HydrophobicContact CG-CE 4.28Å; L84-M87 WeakPolarHBondContact O-CB 3.34Å; L84-M87 PolarHBondContact O-N 2.97Å; L84-W88 WeakPolarHBondContact O-CB 3.43Å; L84-W88 PolarHBondContact O-N 3.03Å; L84-L145 HydrophobicContact CD1-CD2 4.37Å
85F84.2Confident78.8Confident128 Ų12880.7 Ų80.756%0.56143%0.425SS*.Hα-helixtrans-65.8-42.1176-174.1-106.9000112.5P81 M82 M87 W88 I89P81-F85 VanDerWaalsContact O-CB 3.27Å; P81-F85 WeakPolarHBondContact O-CB 3.48Å; P81-F85 PolarHBondContact O-N 3.21Å; M82-F85 PolarHBondContact O-N 3.18Å; F85-M87 VanDerWaalsContact C-N 3.31Å; F85-M87 PolarHBondContact O-N 3Å; F85-W88 WeakPolarHBondContact O-CB 3.25Å; F85-W88 PolarHBondContact O-N 3.44Å; F85-I89 HydrophobicContact CD1-CD1 3.94Å; F85-I89 HydrophobicContact CD2-CD1 4.48Å; F85-I89 HydrophobicContact CE1-CD1 3.28Å; F85-I89 HydrophobicContact CE1-CG1 4.36Å; F85-I89 HydrophobicContact CE2-CD1 3.9Å; F85-I89 HydrophobicContact CE2-CG1 4.45Å; F85-I89 HydrophobicContact CZ-CD1 3.27Å; F85-I89 HydrophobicContact CZ-CG1 4.27Å; F85-I89 PolarHBondContact O-N 3.36Å
86I78.5Confident78Confident93 Ų9386.4 Ų86.448%0.47745%0.45SS..Hα-helixtrans-61.5-43174.2-65.8162.3000110.3M82 N83 W88 I89 S90M82-I86 HydrophobicContact CG-CD1 4.24Å; M82-I86 WeakPolarHBondContact O-CG1 3.42Å; M82-I86 PolarHBondContact O-N 3.43Å; M82-I86 VanDerWaalsContact O-N 3.1Å; N83-I86 PolarHBondContact O-N 3.35Å; I86-W88 VanDerWaalsContact C-N 3.31Å; I86-W88 PolarHBondContact O-N 2.79Å; I86-I89 PolarHBondContact O-N 3.25Å; I86-S90 WeakPolarHBondContact O-CB 3.46Å; I86-S90 PolarHBondContact O-N 2.91Å
87M76.8Confident77.5Confident44 Ų4494.2 Ų94.222%0.21748%0.483CS..Hα-helixtrans-60.4-40.7175.8167.4166.882.300112.5N83 L84 F85 L145 Y148 K149N83-M87 PolarHBondContact O-N 3.49Å; L84-M87 HydrophobicContact CD1-CE 4.42Å; L84-M87 HydrophobicContact CG-CE 4.28Å; L84-M87 WeakPolarHBondContact O-CB 3.34Å; L84-M87 PolarHBondContact O-N 2.97Å; F85-M87 VanDerWaalsContact C-N 3.31Å; F85-M87 PolarHBondContact O-N 3Å; M87-L145 HydrophobicContact CE-CD2 4.4Å; M87-Y148 HydrophobicContact CE-CD1 4.36Å; M87-Y148 HydrophobicContact SD-CD1 3.98Å; M87-Y148 HydrophobicContact SD-CE1 4.39Å; M87-K149 HydrophobicContact CB-CD 4.08Å; M87-K149 HydrophobicContact CG-CD 3.59Å; M87-K149 PolarHBondContact O-NZ 3.49Å; M87-K149 HydrophobicContact SD-CB 4.31Å; M87-K149 HydrophobicContact SD-CD 3.91Å
88W81.5Confident76.7Confident210 Ų21091.4 Ų91.480%0.79547%0.472SS*.Hα-helixtrans-65.1-47.6178.5-178.2-85.4000112.1L84 F85 I86L84-W88 WeakPolarHBondContact O-CB 3.43Å; L84-W88 PolarHBondContact O-N 3.03Å; F85-W88 WeakPolarHBondContact O-CB 3.25Å; F85-W88 PolarHBondContact O-N 3.44Å; I86-W88 VanDerWaalsContact C-N 3.31Å; I86-W88 PolarHBondContact O-N 2.79Å
89I77.1Confident76.2Confident109 Ų10987.3 Ų87.356%0.55946%0.461SS*.Hα-helixtrans-74.8-40.5-178.1-67.8-176.9000112.4F85 I86 G91F85-I89 HydrophobicContact CD1-CD1 3.94Å; F85-I89 HydrophobicContact CD2-CD1 4.48Å; F85-I89 HydrophobicContact CE1-CD1 3.28Å; F85-I89 HydrophobicContact CE1-CG1 4.36Å; F85-I89 HydrophobicContact CE2-CD1 3.9Å; F85-I89 HydrophobicContact CE2-CG1 4.45Å; F85-I89 HydrophobicContact CZ-CD1 3.27Å; F85-I89 HydrophobicContact CZ-CG1 4.27Å; F85-I89 PolarHBondContact O-N 3.36Å; I86-I89 PolarHBondContact O-N 3.25Å; I89-G91 PolarHBondContact O-N 3Å
90S69.6Low75.8Confident43 Ų4387.9 Ų87.930%0.30147%0.465SS..THydrogen-bonded Turntrans-68.2-9.4-170.8-177.40000114I86I86-S90 WeakPolarHBondContact O-CB 3.46Å; I86-S90 PolarHBondContact O-N 2.91Å
91G64.9Low75.2Confident34 Ų3489.6 Ų89.635%0.35148%0.478SS..THydrogen-bonded Turntrans56.4-168.3179.100000113.4I89 S93 K149I89-G91 PolarHBondContact O-N 3Å; G91-S93 VanDerWaalsContact C-N 3.28Å; G91-S93 PolarHBondContact O-N 3.37Å; G91-K149 PolarHBondContact O-NZ 2.95Å
92S63.9Low74.7Confident86 Ų8686 Ų8660%0.60145%0.454SS*.THydrogen-bonded Turntrans-92.526.4179.6-153.30000113.1I94 T152S92-I94 PolarHBondContact O-N 3.48Å; S92-T152 PolarHBondContact OG-O 3.11Å
93S64.3Low74.7Confident75 Ų7584.7 Ų84.752%0.52445%0.449SS..  trans-71.8112.6-174.8-60.40000110.9G91 S95G91-S93 VanDerWaalsContact C-N 3.28Å; G91-S93 PolarHBondContact O-N 3.37Å; S93-S95 PolarHBondContact O-N 2.87Å
94I63.3Low74.4Confident137 Ų13788.9 Ų88.970%0.70347%0.469SS*.  trans-73.870.5173.7-116.9160000109.2S92 M153S92-I94 PolarHBondContact O-N 3.48Å; I94-M153 WeakPolarHBondContact CD1-O 3.36Å
95S70.9Confident74.2Confident66 Ų6687 Ų8746%0.46246%0.459SS..  trans-106.4145.2171.9178.40000109.3S93 F97 P98 L99S93-S95 PolarHBondContact O-N 2.87Å; S95-F97 PolarHBondContact O-N 3.43Å; S95-F97 VanDerWaalsContact O-N 3.17Å; S95-P98 WeakPolarHBondContact O-CD 3.34Å; S95-L99 PolarHBondContact O-N 2.78Å
96I71.1Confident74.3Confident143 Ų14384 Ų8473%0.73345%0.446SS*.Hα-helixtrans-58.4-29.4-179.7-65.6143.4000111.1L99 M100I96-L99 WeakPolarHBondContact O-CB 3.39Å; I96-L99 PolarHBondContact O-N 3.43Å; I96-M100 PolarHBondContact O-N 2.95Å
97F72.3Confident74.6Confident171 Ų17183.8 Ų83.875%0.7545%0.445SS*.Hα-helixtrans-68.6-51.5-179.3-179.9-96.6000113.1S95 L99 M100 S101S95-F97 PolarHBondContact O-N 3.43Å; S95-F97 VanDerWaalsContact O-N 3.17Å; F97-L99 VanDerWaalsContact C-N 3.26Å; F97-L99 PolarHBondContact O-N 3.15Å; F97-M100 PolarHBondContact O-N 3.41Å; F97-S101 PolarHBondContact O-N 3.23Å
98P70.4Confident75Confident15 Ų1590.1 Ų90.110%0.09747%0.467CS..Hα-helixtrans-53.3-38.9168.6-29.331.4000114.2S95 M100 S101 V102 M153S95-P98 WeakPolarHBondContact O-CD 3.34Å; P98-M100 PolarHBondContact O-N 2.83Å; P98-S101 WeakPolarHBondContact CA-OG 3.18Å; P98-S101 PolarHBondContact O-N 3.3Å; P98-S101 VanDerWaalsContact O-N 3.16Å; P98-S101 PolarHBondContact O-OG 3.05Å; P98-V102 VanDerWaalsContact O-CG2 3.29Å; P98-V102 WeakPolarHBondContact O-CG2 3.4Å; P98-V102 PolarHBondContact O-N 3.17Å; P98-M153 HydrophobicContact CB-CE 3.66Å
99L75.8Confident75.2Confident61 Ų6180.4 Ų80.432%0.31943%0.431SS..Hα-helixtrans-56-51.3-178.9-173.168.5000112.2S95 I96 F97 S101 V102 I103 L155S95-L99 PolarHBondContact O-N 2.78Å; I96-L99 WeakPolarHBondContact O-CB 3.39Å; I96-L99 PolarHBondContact O-N 3.43Å; F97-L99 VanDerWaalsContact C-N 3.26Å; F97-L99 PolarHBondContact O-N 3.15Å; L99-S101 VanDerWaalsContact C-N 3.31Å; L99-S101 PolarHBondContact O-N 3.07Å; L99-V102 PolarHBondContact O-N 2.91Å; L99-I103 HydrophobicContact CG-CD1 4.36Å; L99-I103 WeakPolarHBondContact O-CG1 3.15Å; L99-I103 PolarHBondContact O-N 3.18Å; L99-I103 VanDerWaalsContact O-N 3.09Å; L99-L155 HydrophobicContact CD1-CB 4.48Å; L99-L155 HydrophobicContact CD1-CD1 3.12Å; L99-L155 HydrophobicContact CD1-CD2 3.46Å; L99-L155 VanDerWaalsContact CD1-CD2 3.46Å; L99-L155 HydrophobicContact CD1-CG 3.8Å
100M77.9Confident75.8Confident113 Ų11377.8 Ų77.856%0.55742%0.418SS*.Hα-helixtrans-64.3-37.7179.2-69.6-56.7-63.200112.2I96 F97 P98 V102 I103 M104I96-M100 PolarHBondContact O-N 2.95Å; F97-M100 PolarHBondContact O-N 3.41Å; P98-M100 PolarHBondContact O-N 2.83Å; M100-V102 VanDerWaalsContact C-N 3.32Å; M100-V102 PolarHBondContact O-N 3.46Å; M100-I103 PolarHBondContact O-N 3.22Å; M100-I103 HydrophobicContact SD-CD1 4.23Å; M100-M104 PolarHBondContact O-N 2.94Å
101S75.2Confident76.7Confident61 Ų6182 Ų8243%0.42743%0.433SS..Hα-helixtrans-63.9-37.9177.178.50000112.1F97 P98 L99 L105F97-S101 PolarHBondContact O-N 3.23Å; P98-S101 WeakPolarHBondContact CA-OG 3.18Å; P98-S101 PolarHBondContact O-N 3.3Å; P98-S101 VanDerWaalsContact O-N 3.16Å; P98-S101 PolarHBondContact O-OG 3.05Å; L99-S101 VanDerWaalsContact C-N 3.31Å; L99-S101 PolarHBondContact O-N 3.07Å; S101-L105 VanDerWaalsContact O-CB 3.3Å; S101-L105 WeakPolarHBondContact O-CB 3.35Å; S101-L105 PolarHBondContact O-N 3.28Å
102V77.7Confident77.8Confident8 Ų881.6 Ų81.65%0.04843%0.426CS..Hα-helixtrans-73.3-37-179.81750000111.5P98 L99 M100 L105 F106 K149 C150 M153P98-V102 VanDerWaalsContact O-CG2 3.29Å; P98-V102 WeakPolarHBondContact O-CG2 3.4Å; P98-V102 PolarHBondContact O-N 3.17Å; L99-V102 PolarHBondContact O-N 2.91Å; M100-V102 VanDerWaalsContact C-N 3.32Å; M100-V102 PolarHBondContact O-N 3.46Å; V102-L105 CarbonylContact O-C 3.54Å; V102-L105 WeakPolarHBondContact O-CB 3.32Å; V102-L105 PolarHBondContact O-N 2.98Å; V102-F106 PolarHBondContact O-N 3.43Å; V102-K149 HydrophobicContact CG2-CG 4.16Å; V102-C150 WeakPolarHBondContact CG1-SG 3.37Å; V102-M153 HydrophobicContact CG2-SD 4.06Å
103I83.1Confident79Confident81 Ų8179.4 Ų79.442%0.41541%0.407SS..Hα-helixtrans-60.3-49.1173.7-66.2165.4000110.5L99 M100 L105 F106 L107L99-I103 HydrophobicContact CG-CD1 4.36Å; L99-I103 WeakPolarHBondContact O-CG1 3.15Å; L99-I103 PolarHBondContact O-N 3.18Å; L99-I103 VanDerWaalsContact O-N 3.09Å; M100-I103 PolarHBondContact O-N 3.22Å; M100-I103 HydrophobicContact SD-CD1 4.23Å; I103-L105 VanDerWaalsContact C-N 3.28Å; I103-L105 PolarHBondContact O-N 3.32Å; I103-F106 PolarHBondContact O-N 3.04Å; I103-F106 VanDerWaalsContact O-N 3.15Å; I103-L107 HydrophobicContact CG2-CD1 3.9Å; I103-L107 HydrophobicContact CG2-CG 4.38Å; I103-L107 WeakPolarHBondContact O-CG 3.45Å; I103-L107 PolarHBondContact O-N 3.48Å
104M80.2Confident80.2Confident107 Ų10782.6 Ų82.653%0.52742%0.418SS..Hα-helixtrans-63.7-34.6175.6-77.9-76.6-174.500112.1M100 F106 L107 R108M100-M104 PolarHBondContact O-N 2.94Å; M104-F106 VanDerWaalsContact C-N 3.27Å; M104-F106 PolarHBondContact O-N 2.89Å; M104-L107 PolarHBondContact O-N 3.21Å; M104-R108 VanDerWaalsContact O-CB 3.29Å; M104-R108 WeakPolarHBondContact O-CB 3.47Å; M104-R108 WeakPolarHBondContact O-CG 3.48Å; M104-R108 PolarHBondContact O-N 3.46Å
105L80.2Confident81.3Confident42 Ų4278.9 Ų78.922%0.2240%0.404CS..Hα-helixtrans-65.8-29.1174.9-176.866.3000112.6N83 S101 V102 I103 P109 A146N83-L105 WeakPolarHBondContact OD1-CD1 3.43Å; S101-L105 VanDerWaalsContact O-CB 3.3Å; S101-L105 WeakPolarHBondContact O-CB 3.35Å; S101-L105 PolarHBondContact O-N 3.28Å; V102-L105 CarbonylContact O-C 3.54Å; V102-L105 WeakPolarHBondContact O-CB 3.32Å; V102-L105 PolarHBondContact O-N 2.98Å; I103-L105 VanDerWaalsContact C-N 3.28Å; I103-L105 PolarHBondContact O-N 3.32Å; L105-P109 WeakPolarHBondContact O-CD 3.28Å; L105-P109 VanDerWaalsContact O-CG 3.26Å; L105-P109 WeakPolarHBondContact O-CG 3.29Å; L105-A146 HydrophobicContact CD2-CB 4.17Å; L105-A146 HydrophobicContact CG-CB 4.11Å
106F85.1Confident81.9Confident66 Ų6676 Ų7629%0.28938%0.384SS..Hα-helixtrans-81-44174.4-178.4-99.3000112V102 I103 M104 R108 P109 L110 L143 M147V102-F106 PolarHBondContact O-N 3.43Å; I103-F106 PolarHBondContact O-N 3.04Å; I103-F106 VanDerWaalsContact O-N 3.15Å; M104-F106 VanDerWaalsContact C-N 3.27Å; M104-F106 PolarHBondContact O-N 2.89Å; F106-R108 VanDerWaalsContact C-N 3.34Å; F106-R108 PolarHBondContact O-N 3.13Å; F106-P109 WeakPolarHBondContact O-CD 3.47Å; F106-L110 HydrophobicContact CD1-CD1 3.63Å; F106-L110 HydrophobicContact CE1-CD1 3.19Å; F106-L110 HydrophobicContact CE1-CG 4.27Å; F106-L110 HydrophobicContact CG-CD1 4.48Å; F106-L110 HydrophobicContact CZ-CD1 3.72Å; F106-L110 HydrophobicContact CZ-CG 4.49Å; F106-L110 WeakPolarHBondContact O-CG 3.41Å; F106-L110 PolarHBondContact O-N 3.48Å; F106-L143 HydrophobicContact CD2-CD1 3.34Å; F106-L143 HydrophobicContact CD2-CG 4.34Å; F106-L143 HydrophobicContact CE2-CD1 3.3Å; F106-L143 HydrophobicContact CE2-CG 4.02Å; F106-L143 HydrophobicContact CG-CD1 4.07Å; F106-L143 HydrophobicContact CZ-CD1 4.01Å; F106-M147 HydrophobicContact CE2-CE 4.37Å
107L85.7Confident82.5Confident87 Ų8776.2 Ų76.246%0.45538%0.382SS..Hα-helixtrans-67.9-31.5-179.5-68.6176.5000112.9I103 M104 L110 Q111I103-L107 HydrophobicContact CG2-CD1 3.9Å; I103-L107 HydrophobicContact CG2-CG 4.38Å; I103-L107 WeakPolarHBondContact O-CG 3.45Å; I103-L107 PolarHBondContact O-N 3.48Å; M104-L107 PolarHBondContact O-N 3.21Å; L107-L110 PolarHBondContact O-N 2.89Å; L107-Q111 WeakPolarHBondContact O-CB 3.38Å; L107-Q111 PolarHBondContact O-N 2.97Å
108R85.4Confident82.9Confident177 Ų17771.4 Ų71.467%0.66837%0.374SS*.Hα-helixtrans-63.1-54.4179.9-82.4175.8-178.7-152.71.9113.6M104 F106 L110 Q111 A112M104-R108 VanDerWaalsContact O-CB 3.29Å; M104-R108 WeakPolarHBondContact O-CB 3.47Å; M104-R108 WeakPolarHBondContact O-CG 3.48Å; M104-R108 PolarHBondContact O-N 3.46Å; F106-R108 VanDerWaalsContact C-N 3.34Å; F106-R108 PolarHBondContact O-N 3.13Å; R108-L110 VanDerWaalsContact C-N 3.28Å; R108-L110 PolarHBondContact O-N 3.33Å; R108-Q111 PolarHBondContact O-N 2.86Å; R108-A112 WeakPolarHBondContact O-CB 3.26Å; R108-A112 PolarHBondContact O-N 3.46Å
109P85.2Confident83.2Confident6 Ų672 Ų724%0.03938%0.377CS..Hα-helixtrans-60.8-35.9173.5-22.932.1000112.6L105 F106 A112 L113 I142 L143L105-P109 WeakPolarHBondContact O-CD 3.28Å; L105-P109 VanDerWaalsContact O-CG 3.26Å; L105-P109 WeakPolarHBondContact O-CG 3.29Å; F106-P109 WeakPolarHBondContact O-CD 3.47Å; P109-A112 PolarHBondContact O-N 3.17Å; P109-L113 WeakPolarHBondContact O-CB 3.14Å; P109-L113 VanDerWaalsContact O-CG 3.29Å; P109-L113 WeakPolarHBondContact O-CG 3.31Å; P109-L113 PolarHBondContact O-N 3.41Å; P109-I142 HydrophobicContact CB-CG2 4.44Å; P109-I142 HydrophobicContact CG-CB 4.11Å; P109-I142 HydrophobicContact CG-CG2 3.52Å; P109-L143 HydrophobicContact CB-CB 4.43Å
110L89.5Confident83.3Confident54 Ų5472.4 Ų72.428%0.28338%0.376SS..Hα-helixtrans-63-47.2174.2-77.2179.6000111.8F106 L107 R108 A112 L113 L114 L143F106-L110 HydrophobicContact CD1-CD1 3.63Å; F106-L110 HydrophobicContact CE1-CD1 3.19Å; F106-L110 HydrophobicContact CE1-CG 4.27Å; F106-L110 HydrophobicContact CG-CD1 4.48Å; F106-L110 HydrophobicContact CZ-CD1 3.72Å; F106-L110 HydrophobicContact CZ-CG 4.49Å; F106-L110 WeakPolarHBondContact O-CG 3.41Å; F106-L110 PolarHBondContact O-N 3.48Å; L107-L110 PolarHBondContact O-N 2.89Å; R108-L110 VanDerWaalsContact C-N 3.28Å; R108-L110 PolarHBondContact O-N 3.33Å; L110-A112 VanDerWaalsContact C-N 3.26Å; L110-A112 PolarHBondContact O-N 3.5Å; L110-L113 PolarHBondContact O-N 2.93Å; L110-L114 WeakPolarHBondContact O-CG 3.33Å; L110-L114 PolarHBondContact O-N 2.87Å; L110-L143 HydrophobicContact CD2-CD1 4.09Å; L110-L143 HydrophobicContact CD2-CD2 3.91Å; L110-L143 HydrophobicContact CG-CD1 3.84Å
111Q89.4Confident83.3Confident132 Ų13273.1 Ų73.162%0.61738%0.383SS*.Hα-helixtrans-61.4-37.4175.3-173.4179.42.400111.3L107 R108 L114 S115L107-Q111 WeakPolarHBondContact O-CB 3.38Å; L107-Q111 PolarHBondContact O-N 2.97Å; R108-Q111 PolarHBondContact O-N 2.86Å; Q111-L114 PolarHBondContact O-N 3.46Å; Q111-S115 VanDerWaalsContact O-CB 3.28Å; Q111-S115 WeakPolarHBondContact O-CB 3.37Å; Q111-S115 PolarHBondContact O-N 3.29Å; Q111-S115 PolarHBondContact O-OG 3.44Å
112A87.2Confident83Confident25 Ų2575 Ų7521%0.20739%0.387CS..Hα-helixtrans-68.1-33.7176.400000112.9R108 P109 L110 A116 Y135 N139R108-A112 WeakPolarHBondContact O-CB 3.26Å; R108-A112 PolarHBondContact O-N 3.46Å; P109-A112 PolarHBondContact O-N 3.17Å; L110-A112 VanDerWaalsContact C-N 3.26Å; L110-A112 PolarHBondContact O-N 3.5Å; A112-A116 PolarHBondContact O-N 3.45Å; A112-A116 VanDerWaalsContact O-N 3.15Å; A112-Y135 PolarHBondContact O-OH 2.9Å; A112-N139 WeakPolarHBondContact CB-OD1 3.34Å
113L88.6Confident82.6Confident40 Ų4075 Ų7521%0.20939%0.387CS..Hα-helixtrans-71-43.6172.2-74.9167.9000111.6P109 L110 S115 A116 V136 N139 L140 L143P109-L113 WeakPolarHBondContact O-CB 3.14Å; P109-L113 VanDerWaalsContact O-CG 3.29Å; P109-L113 WeakPolarHBondContact O-CG 3.31Å; P109-L113 PolarHBondContact O-N 3.41Å; L110-L113 PolarHBondContact O-N 2.93Å; L113-S115 VanDerWaalsContact C-N 3.31Å; L113-S115 PolarHBondContact O-N 3.31Å; L113-A116 WeakPolarHBondContact O-CB 3.41Å; L113-A116 PolarHBondContact O-N 2.83Å; L113-V136 HydrophobicContact CD2-CB 4.44Å; L113-V136 HydrophobicContact CD2-CG1 4.08Å; L113-V136 HydrophobicContact CD2-CG2 4.44Å; L113-N139 HydrophobicContact CD1-CB 4.17Å; L113-N139 HydrophobicContact CD2-CB 3.63Å; L113-N139 HydrophobicContact CG-CB 3.68Å; L113-L140 HydrophobicContact CD1-CD2 4.25Å; L113-L143 HydrophobicContact CD1-CD2 4.48Å
114L89.1Confident81.8Confident142 Ų14278.7 Ų78.774%0.74340%0.403SS*.Hα-helixtrans-65-36.6175.8-67.9174000111.8L110 Q111 A116L110-L114 WeakPolarHBondContact O-CG 3.33Å; L110-L114 PolarHBondContact O-N 2.87Å; Q111-L114 PolarHBondContact O-N 3.46Å; L114-A116 VanDerWaalsContact C-N 3.26Å; L114-A116 PolarHBondContact O-N 3.15Å
115S87.1Confident81.1Confident60 Ų6076 Ų7642%0.4240%0.403SS..THydrogen-bonded Turntrans-84.85.2176.6-47.90000113.2Q111 L113 Q117 A118Q111-S115 VanDerWaalsContact O-CB 3.28Å; Q111-S115 WeakPolarHBondContact O-CB 3.37Å; Q111-S115 PolarHBondContact O-N 3.29Å; Q111-S115 PolarHBondContact O-OG 3.44Å; L113-S115 VanDerWaalsContact C-N 3.31Å; L113-S115 PolarHBondContact O-N 3.31Å; S115-Q117 PolarHBondContact O-N 3.17Å; S115-A118 PolarHBondContact O-N 2.94Å
116A84.7Confident80.6Confident5 Ų579.5 Ų79.54%0.04143%0.43CS..Hα-helixtrans-61.5-30.9-177.400000112A112 L113 L114 A118 T119 F120 Y135A112-A116 PolarHBondContact O-N 3.45Å; A112-A116 VanDerWaalsContact O-N 3.15Å; L113-A116 WeakPolarHBondContact O-CB 3.41Å; L113-A116 PolarHBondContact O-N 2.83Å; L114-A116 VanDerWaalsContact C-N 3.26Å; L114-A116 PolarHBondContact O-N 3.15Å; A116-A118 VanDerWaalsContact C-N 3.29Å; A116-A118 PolarHBondContact O-N 3.37Å; A116-T119 CarbonylContact O-C 3.59Å; A116-T119 WeakPolarHBondContact O-CA 3.18Å; A116-T119 WeakPolarHBondContact O-CB 3.44Å; A116-T119 PolarHBondContact O-N 3.36Å; A116-F120 HydrophobicContact CB-CD2 4.47Å; A116-F120 HydrophobicContact CB-CE1 4.09Å; A116-F120 HydrophobicContact CB-CE2 3.81Å; A116-F120 HydrophobicContact CB-CZ 3.61Å; A116-F120 WeakPolarHBondContact O-CD1 3.41Å; A116-F120 WeakPolarHBondContact O-CD2 3.43Å; A116-F120 WeakPolarHBondContact O-CG 3.29Å; A116-F120 PolarHBondContact O-N 3.05Å; A116-Y135 HydrophobicContact CB-CD1 4.24Å; A116-Y135 HydrophobicContact CB-CE1 3.74Å
117Q82.2Confident80.1Confident148 Ų14880.4 Ų80.469%0.69244%0.435SS*.Hα-helixtrans-56.6-40.8177.1-62.3-177.85.400112.5S115 T119 F120 N121S115-Q117 PolarHBondContact O-N 3.17Å; Q117-T119 VanDerWaalsContact C-N 3.28Å; Q117-T119 PolarHBondContact O-N 2.67Å; Q117-F120 PolarHBondContact O-N 3.16Å; Q117-N121 PolarHBondContact O-N 2.94Å; Q117-N121 VanDerWaalsContact O-N 3.07Å
118A80.2Confident79.8Confident69 Ų6977.2 Ų77.257%0.5742%0.422SS*.Hα-helixtrans-66.3-32.717600000112.1S115 A116 L122S115-A118 PolarHBondContact O-N 2.94Å; A116-A118 VanDerWaalsContact C-N 3.29Å; A116-A118 PolarHBondContact O-N 3.37Å; A118-L122 PolarHBondContact O-N 3.31Å
119T77Confident79.6Confident29 Ų2974 Ų7418%0.17842%0.422CS..Hα-helixtrans-74-37.2176-52.40000111.1I72 A116 Q117 N121 L122 I123I72-T119 HydrophobicContact CG2-CG2 3.71Å; A116-T119 CarbonylContact O-C 3.59Å; A116-T119 WeakPolarHBondContact O-CA 3.18Å; A116-T119 WeakPolarHBondContact O-CB 3.44Å; A116-T119 PolarHBondContact O-N 3.36Å; Q117-T119 VanDerWaalsContact C-N 3.28Å; Q117-T119 PolarHBondContact O-N 2.67Å; T119-N121 VanDerWaalsContact C-N 3.32Å; T119-N121 PolarHBondContact O-N 3.31Å; T119-L122 WeakPolarHBondContact O-CB 2.82Å; T119-L122 PolarHBondContact O-N 3.4Å; T119-L122 VanDerWaalsContact O-N 3.11Å; T119-I123 HydrophobicContact CG2-CD1 4.07Å; T119-I123 WeakPolarHBondContact O-CG1 3.26Å; T119-I123 PolarHBondContact O-N 3.42Å
120F79.6Confident79.7Confident68 Ų6877.8 Ų77.830%0.29844%0.441SS..Hα-helixtrans-65.7-36177.1-58.7-21.4000111.7A116 Q117 L122 I123 C132 Y135 V136A116-F120 HydrophobicContact CB-CD2 4.47Å; A116-F120 HydrophobicContact CB-CE1 4.09Å; A116-F120 HydrophobicContact CB-CE2 3.81Å; A116-F120 HydrophobicContact CB-CZ 3.61Å; A116-F120 WeakPolarHBondContact O-CD1 3.41Å; A116-F120 WeakPolarHBondContact O-CD2 3.43Å; A116-F120 WeakPolarHBondContact O-CG 3.29Å; A116-F120 PolarHBondContact O-N 3.05Å; Q117-F120 PolarHBondContact O-N 3.16Å; F120-L122 VanDerWaalsContact C-N 3.25Å; F120-L122 PolarHBondContact O-N 3.4Å; F120-I123 PolarHBondContact O-N 2.93Å; F120-C132 HydrophobicContact CD1-CB 3.76Å; F120-C132 WeakPolarHBondContact CD1-SG 3.3Å; F120-C132 HydrophobicContact CE1-CB 3.44Å; F120-C132 VanDerWaalsContact CE1-CB 3.44Å; F120-C132 VanDerWaalsContact CE1-SG 3.55Å; F120-C132 HydrophobicContact CZ-CB 3.97Å; F120-Y135 HydrophobicContact CE1-CD1 4.21Å; F120-V136 HydrophobicContact CZ-CG2 3.88Å
121N76.9Confident79.5Confident129 Ų12975.5 Ų75.569%0.6943%0.429SS*.Hα-helixtrans-65.8-26172.5-71.6-19.2000113.3Q117 T119 I123Q117-N121 PolarHBondContact O-N 2.94Å; Q117-N121 VanDerWaalsContact O-N 3.07Å; T119-N121 VanDerWaalsContact C-N 3.32Å; T119-N121 PolarHBondContact O-N 3.31Å; N121-I123 VanDerWaalsContact C-N 3.31Å
122L69.4Low79.3Confident100 Ų10070.3 Ų70.352%0.52441%0.407SS..Hα-helixtrans-79.1-17.3177.2-160.798.3000112.4I72 A118 T119 F120I72-L122 HydrophobicContact CD1-CD2 3.61Å; A118-L122 PolarHBondContact O-N 3.31Å; T119-L122 WeakPolarHBondContact O-CB 2.82Å; T119-L122 PolarHBondContact O-N 3.4Å; T119-L122 VanDerWaalsContact O-N 3.11Å; F120-L122 VanDerWaalsContact C-N 3.25Å; F120-L122 PolarHBondContact O-N 3.4Å
123I68.1Low79.4Confident9 Ų975.4 Ų75.45%0.04643%0.425CS..  trans-104.180.9-173.8-59.4167.3000108.4T119 F120 N121 A128 Q131T119-I123 HydrophobicContact CG2-CD1 4.07Å; T119-I123 WeakPolarHBondContact O-CG1 3.26Å; T119-I123 PolarHBondContact O-N 3.42Å; F120-I123 PolarHBondContact O-N 2.93Å; N121-I123 VanDerWaalsContact C-N 3.31Å; I123-A128 HydrophobicContact CG2-CB 3.93Å; I123-A128 WeakPolarHBondContact O-CB 3.42Å; I123-Q131 HydrophobicContact CG2-CB 4.3Å
124E66.3Low79.5Confident158 Ų15874.7 Ų74.774%0.73842%0.422SS*.  trans-89.7120.3170.8-65.5-175.7165.600109.8
125G66.5Low79.5Confident51 Ų5169.1 Ų69.153%0.52639%0.391SS..SBendtrans161.7161.6175.200000114.2Q127 A128G125-Q127 PolarHBondContact O-N 3.19Å; G125-A128 VanDerWaalsContact O-CB 3.25Å; G125-A128 WeakPolarHBondContact O-CB 3.29Å; G125-A128 PolarHBondContact O-N 3.44Å
126S68.8Low79.6Confident115 Ų11568.5 Ų68.580%0.80438%0.384SS*.THydrogen-bonded Turntrans-57.3-20-179.5165.10000114.6
127Q75Confident80Confident84 Ų8471.4 Ų71.439%0.39340%0.399SS..THydrogen-bonded Turntrans-10311.6-178.7-60.6-66.5-15.400113G125 T129 I130 Q131G125-Q127 PolarHBondContact O-N 3.19Å; Q127-T129 VanDerWaalsContact C-N 3.34Å; Q127-T129 PolarHBondContact O-N 3.47Å; Q127-I130 PolarHBondContact O-N 3.24Å; Q127-Q131 WeakPolarHBondContact O-CG 3.4Å; Q127-Q131 PolarHBondContact O-N 2.93Å
128A79.1Confident80.4Confident21 Ų2164.4 Ų64.417%0.17437%0.366CS..Hα-helixtrans-58.9-41.7-175.600000112.5I123 G125 I130 Q131 C132I123-A128 HydrophobicContact CG2-CB 3.93Å; I123-A128 WeakPolarHBondContact O-CB 3.42Å; G125-A128 VanDerWaalsContact O-CB 3.25Å; G125-A128 WeakPolarHBondContact O-CB 3.29Å; G125-A128 PolarHBondContact O-N 3.44Å; A128-I130 PolarHBondContact O-N 3.4Å; A128-Q131 PolarHBondContact O-N 2.85Å; A128-Q131 VanDerWaalsContact O-N 3.15Å; A128-C132 WeakPolarHBondContact O-CB 3.46Å; A128-C132 PolarHBondContact O-N 3.09Å; A128-C132 PolarHBondContact O-SG 3.15Å
129T81.8Confident80.9Confident109 Ų10961.4 Ų61.467%0.66934%0.341SS*.Hα-helixtrans-59.4-44.8-177.5510000113.1Q127 C132 F133Q127-T129 VanDerWaalsContact C-N 3.34Å; Q127-T129 PolarHBondContact O-N 3.47Å; T129-C132 PolarHBondContact O-N 3.19Å; T129-F133 WeakPolarHBondContact O-CB 3.15Å; T129-F133 PolarHBondContact O-N 3.46Å
130I86.9Confident81.6Confident86 Ų8664.3 Ų64.344%0.44136%0.355SS..Hα-helixtrans-67.1-40.3177.7-68.4157.7000110.3Q127 A128 F133 V134Q127-I130 PolarHBondContact O-N 3.24Å; A128-I130 PolarHBondContact O-N 3.4Å; I130-F133 PolarHBondContact O-N 3.49Å; I130-V134 HydrophobicContact CG2-CG2 4.43Å; I130-V134 VanDerWaalsContact O-CG2 3.26Å; I130-V134 WeakPolarHBondContact O-CG2 3.45Å; I130-V134 PolarHBondContact O-N 2.97Å
131Q84.7Confident82.2Confident5 Ų563.5 Ų63.52%0.02336%0.355CS..Hα-helixtrans-65.7-40.6178.3-68176.1-25.300111.8S69 A73 I123 Q127 A128 V134 Y135S69-Q131 VanDerWaalsContact CB-OE1 3.24Å; S69-Q131 VanDerWaalsContact OG-CD 3.22Å; S69-Q131 PolarHBondContact OG-NE2 3.42Å; S69-Q131 PolarHBondContact OG-OE1 3.45Å; A73-Q131 HydrophobicContact CB-CB 4.06Å; A73-Q131 HydrophobicContact CB-CG 4.42Å; A73-Q131 WeakPolarHBondContact CB-O 3.37Å; I123-Q131 HydrophobicContact CG2-CB 4.3Å; Q127-Q131 WeakPolarHBondContact O-CG 3.4Å; Q127-Q131 PolarHBondContact O-N 2.93Å; A128-Q131 PolarHBondContact O-N 2.85Å; A128-Q131 VanDerWaalsContact O-N 3.15Å; Q131-V134 PolarHBondContact O-N 3.29Å; Q131-Y135 WeakPolarHBondContact O-CB 3.35Å; Q131-Y135 PolarHBondContact O-N 3.4Å
132C85.7Confident82.7Confident23 Ų2357.5 Ų57.516%0.15532%0.323CS..Hα-helixtrans-62.9-45.1173-63.50000111.4F120 A128 T129 V134 Y135 V136F120-C132 HydrophobicContact CD1-CB 3.76Å; F120-C132 WeakPolarHBondContact CD1-SG 3.3Å; F120-C132 HydrophobicContact CE1-CB 3.44Å; F120-C132 VanDerWaalsContact CE1-CB 3.44Å; F120-C132 VanDerWaalsContact CE1-SG 3.55Å; F120-C132 HydrophobicContact CZ-CB 3.97Å; A128-C132 WeakPolarHBondContact O-CB 3.46Å; A128-C132 PolarHBondContact O-N 3.09Å; A128-C132 PolarHBondContact O-SG 3.15Å; T129-C132 PolarHBondContact O-N 3.19Å; C132-V134 PolarHBondContact O-N 3.27Å; C132-Y135 PolarHBondContact O-N 3.41Å; C132-V136 WeakPolarHBondContact O-CG2 3.41Å; C132-V136 PolarHBondContact O-N 3.44Å
133F89.8Confident83.7Confident133 Ų13353.8 Ų53.858%0.58330%0.304SS*.Hα-helixtrans-60.7-46177.7-178.3-99.4000112T129 I130 Y135 V136 L137T129-F133 WeakPolarHBondContact O-CB 3.15Å; T129-F133 PolarHBondContact O-N 3.46Å; I130-F133 PolarHBondContact O-N 3.49Å; F133-Y135 VanDerWaalsContact C-N 3.35Å; F133-Y135 PolarHBondContact O-N 3.4Å; F133-V136 PolarHBondContact O-N 3.47Å; F133-L137 HydrophobicContact CE1-CD1 3.72Å; F133-L137 HydrophobicContact CZ-CD1 3.82Å; F133-L137 VanDerWaalsContact O-CB 3.31Å; F133-L137 WeakPolarHBondContact O-CB 3.39Å; F133-L137 PolarHBondContact O-N 2.93Å
134V90.2Very high84.8Confident24 Ų2456.2 Ų56.215%0.14533%0.325CS..Hα-helixtrans-61.9-42.1176.7173.10000111.1W70 A73 L74 F77 I130 Q131 C132 L137 G138W70-V134 HydrophobicContact CH2-CG2 4.35Å; W70-V134 HydrophobicContact CZ3-CG1 4.31Å; W70-V134 HydrophobicContact CZ3-CG2 4.48Å; A73-V134 HydrophobicContact CB-CB 4.37Å; A73-V134 HydrophobicContact CB-CG1 4.26Å; L74-V134 HydrophobicContact CD2-CG1 4.3Å; F77-V134 HydrophobicContact CD2-CG1 4.03Å; F77-V134 HydrophobicContact CE2-CG1 3.69Å; F77-V134 WeakPolarHBondContact CE2-O 3.32Å; I130-V134 HydrophobicContact CG2-CG2 4.43Å; I130-V134 VanDerWaalsContact O-CG2 3.26Å; I130-V134 WeakPolarHBondContact O-CG2 3.45Å; I130-V134 PolarHBondContact O-N 2.97Å; Q131-V134 PolarHBondContact O-N 3.29Å; C132-V134 PolarHBondContact O-N 3.27Å; V134-L137 PolarHBondContact O-N 2.81Å; V134-G138 PolarHBondContact O-N 2.89Å
135Y88.7Confident85.8Confident25 Ų2550.6 Ų50.610%0.09830%0.3CS..Hα-helixtrans-61.8-45.6176.5177.2-96.1000112.4P76 A112 A116 F120 Q131 C132 F133 G138 N139P76-Y135 HydrophobicContact CG-CD2 3.67Å; P76-Y135 HydrophobicContact CG-CE2 3.79Å; A112-Y135 PolarHBondContact O-OH 2.9Å; A116-Y135 HydrophobicContact CB-CD1 4.24Å; A116-Y135 HydrophobicContact CB-CE1 3.74Å; F120-Y135 HydrophobicContact CE1-CD1 4.21Å; Q131-Y135 WeakPolarHBondContact O-CB 3.35Å; Q131-Y135 PolarHBondContact O-N 3.4Å; C132-Y135 PolarHBondContact O-N 3.41Å; F133-Y135 VanDerWaalsContact C-N 3.35Å; F133-Y135 PolarHBondContact O-N 3.4Å; Y135-G138 PolarHBondContact O-N 3.19Å; Y135-N139 WeakPolarHBondContact CE1-ND2 3.09Å; Y135-N139 VanDerWaalsContact CZ-ND2 3.33Å; Y135-N139 PolarHBondContact O-N 3.2Å; Y135-N139 VanDerWaalsContact O-N 3.13Å; Y135-N139 PolarHBondContact O-ND2 3.39Å
136V90.7Very high86.7Confident47 Ų4748.2 Ų48.229%0.28528%0.275SS..Hα-helixtrans-64.7-46.4177.9172.70000110.5L113 F120 C132 F133 G138 N139 L140L113-V136 HydrophobicContact CD2-CB 4.44Å; L113-V136 HydrophobicContact CD2-CG1 4.08Å; L113-V136 HydrophobicContact CD2-CG2 4.44Å; F120-V136 HydrophobicContact CZ-CG2 3.88Å; C132-V136 WeakPolarHBondContact O-CG2 3.41Å; C132-V136 PolarHBondContact O-N 3.44Å; F133-V136 PolarHBondContact O-N 3.47Å; V136-G138 VanDerWaalsContact C-N 3.33Å; V136-G138 PolarHBondContact O-N 3.38Å; V136-N139 PolarHBondContact O-N 2.86Å; V136-L140 HydrophobicContact CG1-CD1 4.02Å; V136-L140 HydrophobicContact CG1-CG 4.29Å; V136-L140 WeakPolarHBondContact O-CG 3.29Å; V136-L140 PolarHBondContact O-N 3.16Å
137L92.5Very high87.5Confident67 Ų6747.4 Ų47.435%0.35126%0.26SS..Hα-helixtrans-61.8-41.3179.5-164.8145.1000111.4F77 F133 V134 N139 L140 V141F77-L137 HydrophobicContact CE1-CD2 4.32Å; F77-L137 HydrophobicContact CE2-CD2 4.43Å; F77-L137 HydrophobicContact CZ-CD2 3.55Å; F133-L137 HydrophobicContact CE1-CD1 3.72Å; F133-L137 HydrophobicContact CZ-CD1 3.82Å; F133-L137 VanDerWaalsContact O-CB 3.31Å; F133-L137 WeakPolarHBondContact O-CB 3.39Å; F133-L137 PolarHBondContact O-N 2.93Å; V134-L137 PolarHBondContact O-N 2.81Å; L137-N139 PolarHBondContact O-N 3.44Å; L137-L140 PolarHBondContact O-N 2.98Å; L137-V141 HydrophobicContact CD2-CG2 4.03Å; L137-V141 VanDerWaalsContact O-CG2 3.3Å; L137-V141 WeakPolarHBondContact O-CG2 3.42Å; L137-V141 PolarHBondContact O-N 3.32Å
138G89.8Confident88Confident0 Ų049.9 Ų49.90%027%0.267CS..Hα-helixtrans-61.2-42.8175.300000112.9V134 Y135 V136 V141 I142V134-G138 PolarHBondContact O-N 2.89Å; Y135-G138 PolarHBondContact O-N 3.19Å; V136-G138 VanDerWaalsContact C-N 3.33Å; V136-G138 PolarHBondContact O-N 3.38Å; G138-V141 PolarHBondContact O-N 3.17Å; G138-I142 WeakPolarHBondContact O-CG1 3.5Å; G138-I142 PolarHBondContact O-N 3.46Å
139N91Very high88.1Confident7 Ų749.7 Ų49.74%0.03726%0.262CS..Hα-helixtrans-68.1-38.5175.2-78.1-75.7000112.6P76 A112 L113 Y135 V136 L137 V141 I142 L143P76-N139 WeakPolarHBondContact CG-ND2 3.27Å; A112-N139 WeakPolarHBondContact CB-OD1 3.34Å; L113-N139 HydrophobicContact CD1-CB 4.17Å; L113-N139 HydrophobicContact CD2-CB 3.63Å; L113-N139 HydrophobicContact CG-CB 3.68Å; Y135-N139 WeakPolarHBondContact CE1-ND2 3.09Å; Y135-N139 VanDerWaalsContact CZ-ND2 3.33Å; Y135-N139 PolarHBondContact O-N 3.2Å; Y135-N139 VanDerWaalsContact O-N 3.13Å; Y135-N139 PolarHBondContact O-ND2 3.39Å; V136-N139 PolarHBondContact O-N 2.86Å; L137-N139 PolarHBondContact O-N 3.44Å; N139-V141 VanDerWaalsContact C-N 3.34Å; N139-I142 PolarHBondContact O-N 2.91Å; N139-L143 WeakPolarHBondContact O-CB 3.49Å; N139-L143 PolarHBondContact O-N 3.43Å
140L92.3Very high88Confident90 Ų9045.4 Ų45.447%0.47124%0.236SC..Hα-helixtrans-63.1-39.5175.1-72.7177.4000112.1L113 V136 L137 L143 A144L113-L140 HydrophobicContact CD1-CD2 4.25Å; V136-L140 HydrophobicContact CG1-CD1 4.02Å; V136-L140 HydrophobicContact CG1-CG 4.29Å; V136-L140 WeakPolarHBondContact O-CG 3.29Å; V136-L140 PolarHBondContact O-N 3.16Å; L137-L140 PolarHBondContact O-N 2.98Å; L140-L143 PolarHBondContact O-N 3.32Å; L140-A144 VanDerWaalsContact O-CB 3.31Å; L140-A144 WeakPolarHBondContact O-CB 3.3Å; L140-A144 PolarHBondContact O-N 3.38Å
141V91.7Very high87.8Confident50 Ų5046.4 Ų46.430%0.30324%0.238SC..Hα-helixtrans-62.7-45175169.10000110.9V80 L137 G138 N139 L143 A144 L145V80-V141 HydrophobicContact CG1-CG1 4.41Å; V80-V141 HydrophobicContact CG2-CG1 4.02Å; L137-V141 HydrophobicContact CD2-CG2 4.03Å; L137-V141 VanDerWaalsContact O-CG2 3.3Å; L137-V141 WeakPolarHBondContact O-CG2 3.42Å; L137-V141 PolarHBondContact O-N 3.32Å; G138-V141 PolarHBondContact O-N 3.17Å; N139-V141 VanDerWaalsContact C-N 3.34Å; V141-L143 VanDerWaalsContact C-N 3.33Å; V141-L143 PolarHBondContact O-N 2.95Å; V141-A144 PolarHBondContact O-N 2.83Å; V141-L145 HydrophobicContact CG1-CD1 4.12Å; V141-L145 WeakPolarHBondContact O-CB 3.37Å; V141-L145 VanDerWaalsContact O-CG 3.29Å; V141-L145 WeakPolarHBondContact O-CG 3.25Å; V141-L145 PolarHBondContact O-N 3.33Å
142I88.4Confident87.4Confident4 Ų448.7 Ų48.72%0.02125%0.253CS..Hα-helixtrans-63.4-42.2176.2-60164.5000110.7P76 Q79 V80 P109 G138 N139 L145 A146P76-I142 HydrophobicContact CB-CD1 3.87Å; P76-I142 WeakPolarHBondContact O-CD1 3.41Å; Q79-I142 HydrophobicContact CB-CD1 4.32Å; V80-I142 HydrophobicContact CG2-CD1 4.41Å; V80-I142 HydrophobicContact CG2-CG1 3.62Å; P109-I142 HydrophobicContact CB-CG2 4.44Å; P109-I142 HydrophobicContact CG-CB 4.11Å; P109-I142 HydrophobicContact CG-CG2 3.52Å; G138-I142 WeakPolarHBondContact O-CG1 3.5Å; G138-I142 PolarHBondContact O-N 3.46Å; N139-I142 PolarHBondContact O-N 2.91Å; I142-L145 PolarHBondContact O-N 2.88Å; I142-A146 WeakPolarHBondContact O-CB 3.46Å; I142-A146 PolarHBondContact O-N 2.92Å
143L90.1Very high86.9Confident22 Ų2248 Ų4812%0.11525%0.247CC..Hα-helixtrans-62.1-43.6178-171.268.4000111.7F106 P109 L110 L113 N139 L140 V141 A146 M147F106-L143 HydrophobicContact CD2-CD1 3.34Å; F106-L143 HydrophobicContact CD2-CG 4.34Å; F106-L143 HydrophobicContact CE2-CD1 3.3Å; F106-L143 HydrophobicContact CE2-CG 4.02Å; F106-L143 HydrophobicContact CG-CD1 4.07Å; F106-L143 HydrophobicContact CZ-CD1 4.01Å; P109-L143 HydrophobicContact CB-CB 4.43Å; L110-L143 HydrophobicContact CD2-CD1 4.09Å; L110-L143 HydrophobicContact CD2-CD2 3.91Å; L110-L143 HydrophobicContact CG-CD1 3.84Å; L113-L143 HydrophobicContact CD1-CD2 4.48Å; N139-L143 WeakPolarHBondContact O-CB 3.49Å; N139-L143 PolarHBondContact O-N 3.43Å; L140-L143 PolarHBondContact O-N 3.32Å; V141-L143 VanDerWaalsContact C-N 3.33Å; V141-L143 PolarHBondContact O-N 2.95Å; L143-A146 PolarHBondContact O-N 3.29Å; L143-M147 WeakPolarHBondContact O-CB 3.31Å; L143-M147 PolarHBondContact O-N 2.87Å
144A90.3Very high86Confident59 Ų5944 Ų4449%0.48824%0.244SC..Hα-helixtrans-64.4-41.3176.300000111.7L140 V141 M147 Y148L140-A144 VanDerWaalsContact O-CB 3.31Å; L140-A144 WeakPolarHBondContact O-CB 3.3Å; L140-A144 PolarHBondContact O-N 3.38Å; V141-A144 PolarHBondContact O-N 2.83Å; A144-M147 PolarHBondContact O-N 3.49Å; A144-Y148 WeakPolarHBondContact O-CB 3.45Å; A144-Y148 PolarHBondContact O-N 3.37Å
145L87.6Confident85.1Confident41 Ų4146.2 Ų46.222%0.21526%0.255CS..Hα-helixtrans-63.2-40.7174-72.8170.3000112.1V80 L84 M87 V141 I142 Y148 K149V80-L145 HydrophobicContact CG1-CD1 3.69Å; L84-L145 HydrophobicContact CD1-CD2 4.37Å; M87-L145 HydrophobicContact CE-CD2 4.4Å; V141-L145 HydrophobicContact CG1-CD1 4.12Å; V141-L145 WeakPolarHBondContact O-CB 3.37Å; V141-L145 VanDerWaalsContact O-CG 3.29Å; V141-L145 WeakPolarHBondContact O-CG 3.25Å; V141-L145 PolarHBondContact O-N 3.33Å; I142-L145 PolarHBondContact O-N 2.88Å; L145-Y148 PolarHBondContact O-N 3.32Å; L145-K149 PolarHBondContact O-N 2.96Å
146A84.9Confident84.4Confident1 Ų147.6 Ų47.61%0.00826%0.264CS..Hα-helixtrans-64.7-43.7175.400000111.6L105 I142 L143 K149 C150L105-A146 HydrophobicContact CD2-CB 4.17Å; L105-A146 HydrophobicContact CG-CB 4.11Å; I142-A146 WeakPolarHBondContact O-CB 3.46Å; I142-A146 PolarHBondContact O-N 2.92Å; L143-A146 PolarHBondContact O-N 3.29Å; A146-K149 WeakPolarHBondContact O-CB 3.38Å; A146-K149 PolarHBondContact O-N 3.48Å; A146-K149 VanDerWaalsContact O-N 3.16Å; A146-C150 PolarHBondContact O-N 2.9Å; A146-C150 PolarHBondContact O-SG 3.45Å; A146-C150 VanDerWaalsContact O-SG 3.37Å
147M87Confident83.5Confident97 Ų9749.4 Ų49.448%0.47828%0.276SS..Hα-helixtrans-62.8-41.7175.8-172-177.8-64.300111.8F106 L143 A144 K149 C150 H151 L156F106-M147 HydrophobicContact CE2-CE 4.37Å; L143-M147 WeakPolarHBondContact O-CB 3.31Å; L143-M147 PolarHBondContact O-N 2.87Å; A144-M147 PolarHBondContact O-N 3.49Å; M147-K149 VanDerWaalsContact C-N 3.31Å; M147-K149 PolarHBondContact O-N 3.33Å; M147-C150 WeakPolarHBondContact O-CB 3.48Å; M147-C150 PolarHBondContact O-N 2.75Å; M147-H151 PolarHBondContact O-N 3.18Å; M147-L156 HydrophobicContact CG-CD1 4.49Å
148Y85.9Confident82.9Confident137 Ų13750.6 Ų50.654%0.53729%0.286SS..Hα-helixtrans-58.9-43172.9-179-102.3000111M87 A144 L145 H151 T152M87-Y148 HydrophobicContact CE-CD1 4.36Å; M87-Y148 HydrophobicContact SD-CD1 3.98Å; M87-Y148 HydrophobicContact SD-CE1 4.39Å; A144-Y148 WeakPolarHBondContact O-CB 3.45Å; A144-Y148 PolarHBondContact O-N 3.37Å; L145-Y148 PolarHBondContact O-N 3.32Å; Y148-H151 WeakPolarHBondContact O-CB 3.2Å; Y148-H151 PolarHBondContact O-N 2.9Å; Y148-T152 HydrophobicContact CD1-CG2 4.26Å; Y148-T152 HydrophobicContact CE1-CG2 3.87Å; Y148-T152 HydrophobicContact CE2-CG2 4.34Å; Y148-T152 WeakPolarHBondContact O-CG2 3.49Å; Y148-T152 PolarHBondContact O-N 3.34Å; Y148-T152 PolarHBondContact O-OG1 2.85Å
149K81Confident82Confident16 Ų1658.5 Ų58.57%0.0732%0.317CS..Hα-helixtrans-61.2-47.2174.5-170.473.8-174.7171.70112.1M87 G91 V102 L145 A146 M147 H151 T152 M153M87-K149 HydrophobicContact CB-CD 4.08Å; M87-K149 HydrophobicContact CG-CD 3.59Å; M87-K149 PolarHBondContact O-NZ 3.49Å; M87-K149 HydrophobicContact SD-CB 4.31Å; M87-K149 HydrophobicContact SD-CD 3.91Å; G91-K149 PolarHBondContact O-NZ 2.95Å; V102-K149 HydrophobicContact CG2-CG 4.16Å; L145-K149 PolarHBondContact O-N 2.96Å; A146-K149 WeakPolarHBondContact O-CB 3.38Å; A146-K149 PolarHBondContact O-N 3.48Å; A146-K149 VanDerWaalsContact O-N 3.16Å; M147-K149 VanDerWaalsContact C-N 3.31Å; M147-K149 PolarHBondContact O-N 3.33Å; K149-H151 VanDerWaalsContact C-N 3.26Å; K149-H151 PolarHBondContact O-N 3.42Å; K149-T152 WeakPolarHBondContact CA-OG1 3.34Å; K149-T152 PolarHBondContact O-N 3.27Å; K149-T152 PolarHBondContact O-OG1 3.36Å; K149-M153 HydrophobicContact CG-CE 4.48Å; K149-M153 HydrophobicContact CG-SD 4.1Å; K149-M153 PolarHBondContact O-N 3.41Å
150C78.5Confident81.3Confident19 Ų1961.7 Ų61.713%0.12835%0.345CS..Hα-helixtrans-56.8-41.1176-66.10000112.3V102 A146 M147 M153 G154 L155 L156V102-C150 WeakPolarHBondContact CG1-SG 3.37Å; A146-C150 PolarHBondContact O-N 2.9Å; A146-C150 PolarHBondContact O-SG 3.45Å; A146-C150 VanDerWaalsContact O-SG 3.37Å; M147-C150 WeakPolarHBondContact O-CB 3.48Å; M147-C150 PolarHBondContact O-N 2.75Å; C150-M153 PolarHBondContact O-N 3.21Å; C150-G154 PolarHBondContact O-N 2.94Å; C150-L155 PolarHBondContact O-N 3.25Å; C150-L156 HydrophobicContact CB-CD1 4Å; C150-L156 HydrophobicContact CB-CD2 4.27Å; C150-L156 HydrophobicContact CB-CG 3.91Å
151H82.2Confident80.7Confident107 Ų10760.7 Ų60.750%0.49535%0.345SS..Hα-helixtrans-64.5-46.6176.6-177.661.4000111.4M147 Y148 K149 M153 G154 L156M147-H151 PolarHBondContact O-N 3.18Å; Y148-H151 WeakPolarHBondContact O-CB 3.2Å; Y148-H151 PolarHBondContact O-N 2.9Å; K149-H151 VanDerWaalsContact C-N 3.26Å; K149-H151 PolarHBondContact O-N 3.42Å; H151-M153 VanDerWaalsContact C-N 3.27Å; H151-M153 PolarHBondContact O-N 3.28Å; H151-G154 PolarHBondContact O-N 2.93Å; H151-G154 VanDerWaalsContact O-N 3.07Å; H151-L156 HydrophobicContact CB-CD1 4.09Å
152T77.6Confident80.3Confident53 Ų5361 Ų6133%0.32535%0.345SS..Hα-helixtrans-64.1-30.417760.70000113.5S92 Y148 K149 G154S92-T152 PolarHBondContact OG-O 3.11Å; Y148-T152 HydrophobicContact CD1-CG2 4.26Å; Y148-T152 HydrophobicContact CE1-CG2 3.87Å; Y148-T152 HydrophobicContact CE2-CG2 4.34Å; Y148-T152 WeakPolarHBondContact O-CG2 3.49Å; Y148-T152 PolarHBondContact O-N 3.34Å; Y148-T152 PolarHBondContact O-OG1 2.85Å; K149-T152 WeakPolarHBondContact CA-OG1 3.34Å; K149-T152 PolarHBondContact O-N 3.27Å; K149-T152 PolarHBondContact O-OG1 3.36Å; T152-G154 VanDerWaalsContact C-N 3.28Å
153M74.4Confident80.2Confident8 Ų867.5 Ų67.54%0.03937%0.37CS..THydrogen-bonded Turntrans-80.5-4.3176.1-74176.5155.200113.3I94 P98 V102 K149 C150 H151 L155I94-M153 WeakPolarHBondContact CD1-O 3.36Å; P98-M153 HydrophobicContact CB-CE 3.66Å; V102-M153 HydrophobicContact CG2-SD 4.06Å; K149-M153 HydrophobicContact CG-CE 4.48Å; K149-M153 HydrophobicContact CG-SD 4.1Å; K149-M153 PolarHBondContact O-N 3.41Å; C150-M153 PolarHBondContact O-N 3.21Å; H151-M153 VanDerWaalsContact C-N 3.27Å; H151-M153 PolarHBondContact O-N 3.28Å; M153-L155 VanDerWaalsContact C-N 3.3Å; M153-L155 HydrophobicContact CB-CD1 3.65Å; M153-L155 HydrophobicContact CB-CG 3.81Å; M153-L155 PolarHBondContact O-N 3.07Å; M153-L155 HydrophobicContact SD-CD1 4.14Å
154G71.6Confident79.5Confident50 Ų5072 Ų7252%0.51539%0.393SS..THydrogen-bonded Turntrans68.625.9178.600000114.2C150 H151 T152C150-G154 PolarHBondContact O-N 2.94Å; H151-G154 PolarHBondContact O-N 2.93Å; H151-G154 VanDerWaalsContact O-N 3.07Å; T152-G154 VanDerWaalsContact C-N 3.28Å
155L71.8Confident79.1Confident70 Ų7073.8 Ų73.837%0.36640%0.402SS..  trans-93.5-11.3-175.1-61.3166.9000113.2L99 C150 M153L99-L155 HydrophobicContact CD1-CB 4.48Å; L99-L155 HydrophobicContact CD1-CD1 3.12Å; L99-L155 HydrophobicContact CD1-CD2 3.46Å; L99-L155 VanDerWaalsContact CD1-CD2 3.46Å; L99-L155 HydrophobicContact CD1-CG 3.8Å; C150-L155 PolarHBondContact O-N 3.25Å; M153-L155 VanDerWaalsContact C-N 3.3Å; M153-L155 HydrophobicContact CB-CD1 3.65Å; M153-L155 HydrophobicContact CB-CG 3.81Å; M153-L155 PolarHBondContact O-N 3.07Å; M153-L155 HydrophobicContact SD-CD1 4.14Å
156L74.2Confident78.9Confident55 Ų5579.2 Ų79.229%0.28842%0.424SS..SBendtrans-90.6132.9179.1-66.7173.6000108.8M147 C150 H151 T158 D162M147-L156 HydrophobicContact CG-CD1 4.49Å; C150-L156 HydrophobicContact CB-CD1 4Å; C150-L156 HydrophobicContact CB-CD2 4.27Å; C150-L156 HydrophobicContact CB-CG 3.91Å; H151-L156 HydrophobicContact CB-CD1 4.09Å; L156-T158 HydrophobicContact CB-CG2 3.76Å; L156-T158 PolarHBondContact O-N 2.97Å; L156-T158 PolarHBondContact O-OG1 2.91Å; L156-D162 VanDerWaalsContact O-OD2 3.13Å
157P70.8Confident78.8Confident85 Ų8584.5 Ų84.555%0.55245%0.451SS*.THydrogen-bonded Turntrans-68.468.9177.231.2-36.5000110.6D162 W163P157-D162 WeakPolarHBondContact CA-OD2 3.37Å; P157-D162 HydrophobicContact CB-CB 4.23Å; P157-W163 HydrophobicContact CB-CZ2 4.37Å
158T79.7Confident78.6Confident91 Ų9188.3 Ų88.356%0.55847%0.467SS*.THydrogen-bonded Turntrans-125.5-19.5-169.651.30000111.4L156 D162L156-T158 HydrophobicContact CB-CG2 3.76Å; L156-T158 PolarHBondContact O-N 2.97Å; L156-T158 PolarHBondContact O-OG1 2.91Å; T158-D162 PolarHBondContact N-OD2 3.08Å
159Y71.6Confident78.6Confident167 Ų16787.1 Ų87.166%0.65548%0.477SS*.SBendtrans-91.6149.2176.2-153-102.6000110S161 D162Y159-S161 VanDerWaalsContact CD1-OG 3.25Å; Y159-S161 WeakPolarHBondContact CD1-OG 3.25Å; Y159-S161 PolarHBondContact O-N 3.19Å; Y159-S161 VanDerWaalsContact O-N 3.08Å; Y159-D162 PolarHBondContact N-OD2 2.68Å; Y159-D162 WeakPolarHBondContact O-CB 3.32Å; Y159-D162 PolarHBondContact O-N 2.95Å
160A74.9Confident78.8Confident74 Ų7498.1 Ų98.161%0.61252%0.518SS*.G310 helixtrans-58.4-24.1176.700000112.5D162 W163 L164A160-D162 VanDerWaalsContact C-N 3.26Å; A160-D162 PolarHBondContact O-N 3.39Å; A160-W163 PolarHBondContact O-N 3.15Å; A160-L164 PolarHBondContact O-N 2.89Å
161S79.9Confident79.3Confident68 Ų68105.6 Ų105.648%0.47655%0.551SS.*G310 helixtrans-61.6-33.1173.8600000113Y159 W163 L164Y159-S161 VanDerWaalsContact CD1-OG 3.25Å; Y159-S161 WeakPolarHBondContact CD1-OG 3.25Å; Y159-S161 PolarHBondContact O-N 3.19Å; Y159-S161 VanDerWaalsContact O-N 3.08Å; S161-W163 PolarHBondContact O-N 3.26Å; S161-L164 WeakPolarHBondContact O-CB 3.21Å; S161-L164 PolarHBondContact O-N 3.24Å
162D83.7Confident79.5Confident58 Ų58104.8 Ų104.831%0.3156%0.563SS.*G310 helixtrans-68.6-21.8-177.9-52.7-35.9000111.2L156 P157 T158 Y159 A160L156-D162 VanDerWaalsContact O-OD2 3.13Å; P157-D162 WeakPolarHBondContact CA-OD2 3.37Å; P157-D162 HydrophobicContact CB-CB 4.23Å; T158-D162 PolarHBondContact N-OD2 3.08Å; Y159-D162 PolarHBondContact N-OD2 2.68Å; Y159-D162 WeakPolarHBondContact O-CB 3.32Å; Y159-D162 PolarHBondContact O-N 2.95Å; A160-D162 VanDerWaalsContact C-N 3.26Å; A160-D162 PolarHBondContact O-N 3.39Å
163W86.1Confident80Confident140 Ų140107.5 Ų107.553%0.5359%0.591SS.*G310 helixtrans-102.6-3.2179.5-54.796.1000113.1P157 A160 S161 S165 F166P157-W163 HydrophobicContact CB-CZ2 4.37Å; A160-W163 PolarHBondContact O-N 3.15Å; S161-W163 PolarHBondContact O-N 3.26Å; W163-S165 PolarHBondContact O-N 3.26Å; W163-S165 VanDerWaalsContact O-N 3.15Å; W163-F166 AromaticContact CE3-CD2 3.96Å; W163-F166 HydrophobicContact CE3-CD2 3.96Å; W163-F166 HydrophobicContact CE3-CE2 4.15Å; W163-F166 HydrophobicContact CZ3-CE2 4.45Å; W163-F166 PolarHBondContact O-N 3.21Å
164L77Confident80.9Confident117 Ų117115.3 Ų115.361%0.61363%0.627SS**G310 helixtrans-60-29.1-175.5-160.6101000112.1A160 S161 F166 I167A160-L164 PolarHBondContact O-N 2.89Å; S161-L164 WeakPolarHBondContact O-CB 3.21Å; S161-L164 PolarHBondContact O-N 3.24Å; L164-F166 PolarHBondContact O-N 3.23Å; L164-I167 HydrophobicContact CD1-CD1 4.17Å; L164-I167 HydrophobicContact CG-CD1 4.48Å; L164-I167 PolarHBondContact O-N 2.96Å
165S80.9Confident81.6Confident95 Ų95123.6 Ų123.666%0.66464%0.643SS**G310 helixtrans-65.1-18.3176.458.80000114.1W163W163-S165 PolarHBondContact O-N 3.26Å; W163-S165 VanDerWaalsContact O-N 3.15Å
166F83.6Confident82.3Confident155 Ų155125.9 Ų125.968%0.6867%0.665SS**G310 helixtrans-101.8-2.5178.7-56.9-64.3000113.1W163 L164 E168W163-F166 AromaticContact CE3-CD2 3.96Å; W163-F166 HydrophobicContact CE3-CD2 3.96Å; W163-F166 HydrophobicContact CE3-CE2 4.15Å; W163-F166 HydrophobicContact CZ3-CE2 4.45Å; W163-F166 PolarHBondContact O-N 3.21Å; L164-F166 PolarHBondContact O-N 3.23Å; F166-E168 PolarHBondContact O-N 3.41Å
167I82Confident82.9Confident112 Ų112129.5 Ų129.557%0.57469%0.689SS**SBendtrans-81.1116.3177.2-57.6177.2000107.7L164L164-I167 HydrophobicContact CD1-CD1 4.17Å; L164-I167 HydrophobicContact CG-CD1 4.48Å; L164-I167 PolarHBondContact O-N 2.96Å
168E84.4Confident83.7Confident177 Ų177129.4 Ų129.483%0.82770%0.703SS**PPolyproline II helixtrans-60.5136.5173.8-74.9168.2130.500110.2F166 R170F166-E168 PolarHBondContact O-N 3.41Å; E168-R170 PolarHBondContact O-N 3.41Å
169P85.9Confident84.2Confident113 Ų113128.3 Ų128.373%0.73471%0.71SS**PPolyproline II helixtrans-61137.7176.826.4-33.4000109.3Q171P169-Q171 PolarHBondContact O-N 3.49Å
170R84.9Confident84.7Confident247 Ų247129.4 Ų129.493%0.93272%0.718SS**  trans-56.6115.6175-179.9-174.6-80.6167.8-5.8108.6E168 A172E168-R170 PolarHBondContact O-N 3.41Å; R170-A172 PolarHBondContact O-N 3.01Å
171Q87.3Confident84.7Confident176 Ų176132.6 Ų132.682%0.82273%0.73SS**  trans-70130173.6-64.8-175.8-12.700109P169 A173P169-Q171 PolarHBondContact O-N 3.49Å; Q171-A173 PolarHBondContact O-N 3.24Å
172A87.5Confident83.9Confident90 Ų90138.3 Ų138.374%0.74476%0.762SS**  trans-66.1118.8174.500000108.9R170 E174R170-A172 PolarHBondContact O-N 3.01Å; A172-E174 VanDerWaalsContact C-N 3.27Å
173A88.8Confident84Confident110 Ų110142.3 Ų142.391%0.90978%0.784SS**SBendtrans-75.4-22.2177.100000112.2Q171Q171-A173 PolarHBondContact O-N 3.24Å
174E92.8Very high83.8Confident172 Ų172142.4 Ų142.480%0.80480%0.798SS**  trans-132.4139.7-175.760.8-169.8172.500110.4A172A172-E174 VanDerWaalsContact C-N 3.27Å
175W86Confident84.2Confident223 Ų223143.8 Ų143.885%0.84581%0.808SS**  trans-113.5129.6172.153.5-84.6000107.1V177W175-V177 HydrophobicContact CE3-CG2 4.22Å
176S86.8Confident84.4Confident119 Ų119146.7 Ų146.783%0.83282%0.816SS**  trans-120.1125.5165.260.30000107.3
177V86Confident84.5Confident131 Ų131146.2 Ų146.279%0.79483%0.825SS**  trans-122.8112.9177.1177.10000106.2W175W175-V177 HydrophobicContact CE3-CG2 4.22Å
178G88.1Confident84.6Confident82 Ų82148.5 Ų148.585%0.84584%0.841SS**  trans-129.3126.1172.300000108.3
179G89.2Confident84.7Confident69 Ų69146.4 Ų146.471%0.71184%0.843SS**  trans-126.4156.3176.100000109.9
180F82.4Confident84.6Confident189 Ų189149 Ų14983%0.82985%0.851SS**  trans-69.9136.5178.4-148.5-79.9000110V182F180-V182 HydrophobicContact CD1-CB 4.46Å; F180-V182 HydrophobicContact CD1-CG2 3.25Å; F180-V182 HydrophobicContact CE1-CG2 3.62Å; F180-V182 HydrophobicContact CG-CG2 4.25Å; F180-V182 PolarHBondContact O-N 3.36Å
181V75.6Confident84.5Confident141 Ų141140.8 Ų140.886%0.85584%0.844SS**  trans-88.191170.6-154.50000106.5
182V63.8Low84.3Confident188 Ų188137.6 Ų137.6100%1.13985%0.846SS**  trans-112.20162.2-173.70000108F180F180-V182 HydrophobicContact CD1-CB 4.46Å; F180-V182 HydrophobicContact CD1-CG2 3.25Å; F180-V182 HydrophobicContact CE1-CG2 3.62Å; F180-V182 HydrophobicContact CG-CG2 4.25Å; F180-V182 PolarHBondContact O-N 3.36Å

Retrieved 182 of 182 residues in 38.9 ms (Link to these results)