A0A060W6R4_ONCMY Loading...

Glutamyl-tRNA(Gln) amidotransferase subunit C, mitochondrial

Allows the formation of correctly charged Gln-tRNA(Gln) through the transamidation of misacylated Glu-tRNA(Gln) in the mitochondria. The reaction takes place in the presence of glutamine and ATP through an activated gamma-phospho-Glu-tRNA(Gln).

AlphaFold DB , UniProt , Accession A0A060W6R4, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene GATC, Length 194 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
1M34.5Very low32.7Very low246 Ų246173.2 Ų173.2100%1.21283%0.826SS**  0113.50-159.6167.3171.700106.2
2Y28.3Very low32.7Very low216 Ų216173.3 Ų173.385%0.84783%0.826SS**  trans-68.2151.1-161.7-61.5-90.5000114
3V27.8Very low32.6Very low137 Ų137169.8 Ų169.883%0.8382%0.822SS**  -146.5125.3117.9-177.30000110.3
4V32.3Very low32.4Very low99 Ų99167.6 Ų167.660%0.682%0.816SS**  trans-70.7125.9170.1173.20000109.5
5V33.9Very low32.3Very low113 Ų113161.6 Ų161.669%0.68580%0.804SS**  trans-93.999.4169.6-173.80000108.7Y7V5-Y7 HydrophobicContact CG1-CD2 3.89Å; V5-Y7 HydrophobicContact CG1-CE2 3.68Å; V5-Y7 PolarHBondContact O-N 3.31Å
6N31.6Very low32Very low133 Ų133162.1 Ų162.171%0.71180%0.8SS**  trans-73.2114.1169-76.2-72.4000109.3
7Y28.8Very low31.9Very low207 Ų207161.7 Ų161.781%0.81280%0.802SS**  trans-91.897.5166.2-90.2-87.6000109.8V5 R9V5-Y7 HydrophobicContact CG1-CD2 3.89Å; V5-Y7 HydrophobicContact CG1-CE2 3.68Å; V5-Y7 PolarHBondContact O-N 3.31Å; Y7-R9 PolarHBondContact O-N 3.22Å
8T36.8Very low32Very low136 Ų136161.7 Ų161.783%0.83480%0.804SS**  trans-8785.5164.641.10000109.5R10T8-R10 PolarHBondContact O-N 2.77Å
9R37.3Very low32Very low226 Ų226156.7 Ų156.785%0.85380%0.798SS**  trans-88.3104.1161.4-109.3-172.4-177.4-162.62.5108.6Y7 L11Y7-R9 PolarHBondContact O-N 3.22Å; R9-L11 PolarHBondContact O-N 2.88Å
10R33.7Very low32.1Very low237 Ų237155.3 Ų155.389%0.89480%0.803SS**  trans-60.2100.1169.6-165.6178.6-166.3179.64.1108.3T8 Q12T8-R10 PolarHBondContact O-N 2.77Å; R10-Q12 PolarHBondContact O-N 3.06Å
11L35.1Very low32.3Very low155 Ų155152.6 Ų152.681%0.81280%0.798SS**  trans-64.5110.5169.5-68.7166.9000107.8R9 T13R9-L11 PolarHBondContact O-N 2.88Å; L11-T13 PolarHBondContact O-N 3.18Å
12Q32.4Very low32.1Very low175 Ų175146.5 Ų146.582%0.81878%0.778SS**  trans-79.898.5158.6-81.7-178.3-18.600107R10 L14R10-Q12 PolarHBondContact O-N 3.06Å; Q12-L14 PolarHBondContact O-N 3.26Å; Q12-L14 VanDerWaalsContact O-N 3.09Å
13T32Very low32.2Very low127 Ų127147.3 Ų147.378%0.77978%0.781SS**  trans-67.199.1169.3-52.10000108.6L11 A15L11-T13 PolarHBondContact O-N 3.18Å; T13-A15 PolarHBondContact O-N 3.38Å
14L29.6Very low32.5Very low140 Ų140148.9 Ų148.973%0.73378%0.779SS**  trans-82.898.9160.2-83166.3000107.4Q12 F16Q12-L14 PolarHBondContact O-N 3.26Å; Q12-L14 VanDerWaalsContact O-N 3.09Å; L14-F16 HydrophobicContact CB-CD2 4.37Å; L14-F16 HydrophobicContact CB-CE2 4.09Å; L14-F16 PolarHBondContact O-N 2.94Å; L14-F16 VanDerWaalsContact O-N 3.15Å
15A30.2Very low32.7Very low77 Ų77153.2 Ų153.264%0.63679%0.793SS**  trans-71.3102.6171.300000109T13 N17T13-A15 PolarHBondContact O-N 3.38Å; A15-N17 PolarHBondContact O-N 3.45Å
16F27.9Very low32.7Very low169 Ų169151.2 Ų151.274%0.74180%0.795SS**  trans-84.196.7165.1-79.5-87.7000108.5L14 L18L14-F16 HydrophobicContact CB-CD2 4.37Å; L14-F16 HydrophobicContact CB-CE2 4.09Å; L14-F16 PolarHBondContact O-N 2.94Å; L14-F16 VanDerWaalsContact O-N 3.15Å; F16-L18 PolarHBondContact O-N 3.12Å; F16-L18 VanDerWaalsContact O-N 3.11Å
17N30.4Very low33Very low156 Ų156151.7 Ų151.783%0.83480%0.802SS**  trans-76.592166-74.4-63.8000108.2A15 G19A15-N17 PolarHBondContact O-N 3.45Å; N17-G19 VanDerWaalsContact C-N 3.33Å; N17-G19 PolarHBondContact O-N 3.37Å
18L33.8Very low33.1Very low162 Ų162148.1 Ų148.185%0.84880%0.802SS**  trans-79.788.6163.9-72.9168.4000107.5F16 S20F16-L18 PolarHBondContact O-N 3.12Å; F16-L18 VanDerWaalsContact O-N 3.11Å; L18-S20 PolarHBondContact O-N 2.79Å
19G30.7Very low32.8Very low66 Ų66152.8 Ų152.868%0.6881%0.805SS**  trans-64127.7166.200000109.5N17 S21N17-G19 VanDerWaalsContact C-N 3.33Å; N17-G19 PolarHBondContact O-N 3.37Å; G19-S21 PolarHBondContact O-N 3.39Å; G19-S21 VanDerWaalsContact O-N 3.17Å
20S34Very low32.7Very low128 Ų128147.5 Ų147.590%0.89580%0.797SS**  trans-57.1114.2171.7-480000109.6L18L18-S20 PolarHBondContact O-N 2.79Å
21S36.2Very low32.6Very low100 Ų100141.2 Ų141.270%0.69979%0.789SS**  trans-126116.2171.1-167.40000109.8G19 Y23G19-S21 PolarHBondContact O-N 3.39Å; G19-S21 VanDerWaalsContact O-N 3.17Å; S21-Y23 PolarHBondContact O-N 3.32Å
22C31.1Very low32.6Very low118 Ų118141.2 Ų141.280%0.79779%0.789SS**  trans-60.2125.8-179.3-42.50000109.7H24C22-H24 PolarHBondContact O-N 3.1Å
23Y31.3Very low32.6Very low232 Ų232139 Ų13991%0.9179%0.787SS**  trans-75.294.2178.4-68-83.4000110.7S21S21-Y23 PolarHBondContact O-N 3.32Å
24H33Very low32.6Very low170 Ų170138 Ų13879%0.78779%0.785SS**  trans-119.7121.9152.6-103-77.1000107.9C22C22-H24 PolarHBondContact O-N 3.1Å
25Q37Very low32.8Very low191 Ų191140.5 Ų140.589%0.89379%0.793SS**SBendtrans33116.9159.4-70.3176-12.400118.5
26G33.7Very low32.8Very low71 Ų71142.1 Ų142.173%0.73279%0.791SS**  trans117.6113.1147.400000115.7
27V37.3Very low33.2Very low142 Ų142145.7 Ų145.786%0.86180%0.8SS**  trans40.796.1146-168.80000116.2R29V27-R29 PolarHBondContact O-N 3.32Å
28T31.3Very low33.3Very low132 Ų132146.9 Ų146.981%0.8180%0.798SS**  trans-74.7107.2169.6-400000110.2V30T28-V30 HydrophobicContact CG2-CG2 4.18Å; T28-V30 PolarHBondContact O-N 3.23Å
29R31Very low33.2Very low235 Ų235144.7 Ų144.789%0.88780%0.796SS**  trans-84.1105.2172-155.2178.6-174-174.31.4108V27V27-R29 PolarHBondContact O-N 3.32Å
30V34.2Very low33.5Very low115 Ų115153 Ų15370%0.69781%0.806SS**  trans-96.7112.6171.9-1780000108.2T28 I32T28-V30 HydrophobicContact CG2-CG2 4.18Å; T28-V30 PolarHBondContact O-N 3.23Å; V30-I32 HydrophobicContact CG1-CG1 4.21Å
31S31.7Very low33.5Very low104 Ų104155.3 Ų155.373%0.72780%0.803SS**  trans-100.5110172.342.80000109.4
32I34.9Very low33.3Very low155 Ų155158 Ų15880%0.79581%0.81SS**  trans-89.2109.4172.3-57.1175.5000107.6V30V30-I32 HydrophobicContact CG1-CG1 4.21Å
33T34.3Very low33.2Very low128 Ų128161.4 Ų161.479%0.78581%0.811SS**  trans-90.8102.7169.247.30000109.4
34S31.6Very low33.1Very low106 Ų106155 Ų15574%0.74180%0.801SS**  trans-81.8110.2165.91710000109D36S34-D36 PolarHBondContact O-N 3.32Å
35Q33.5Very low32.9Very low193 Ų193152.9 Ų152.990%0.90280%0.803SS**  trans-8394.7167.8-78.5-173.8-7.300109.2
36D30.5Very low32.5Very low111 Ų111152 Ų15259%0.59480%0.797SS**  trans-94.2120.3167.7-168.215.2000109.2S34 K38S34-D36 PolarHBondContact O-N 3.32Å; D36-K38 PolarHBondContact O-N 2.97Å; D36-K38 WeakPolarHBondContact OD2-CE 3.17Å
37R35.4Very low32.7Very low244 Ų244159 Ų15992%0.92180%0.801SS**  trans-73.1102.5176.3-77.3-174.6-170.6-176.13.4108.4
38K33.8Very low32.3Very low181 Ų181162 Ų16279%0.78780%0.797SS**  trans-105.1130.5170.2-80.9-175.3179176.40113.7D36D36-K38 PolarHBondContact O-N 2.97Å; D36-K38 WeakPolarHBondContact OD2-CE 3.17Å
39S30.4Very low32.7Very low116 Ų116161.1 Ų161.181%0.81179%0.792SS**  trans-60.1156165.565.60000111
40R36.4Very low32.8Very low240 Ų240156.5 Ų156.591%0.90678%0.78SS**  trans-58.3129-176.7-65.3172.7170.2178.5-4.6111.8
41Q34.1Very low33Very low177 Ų177158.8 Ų158.883%0.82779%0.788SS**  trans-159.7129.2141.1-105.9167.63900109.9
42N32.7Very low33.4Very low157 Ų157160.4 Ų160.484%0.8479%0.787SS**  trans-70.2121.3-175.4-65.4-41.5000111
43F29Very low33.7Very low189 Ų189158.1 Ų158.183%0.82978%0.78SS**  trans-138.6132.9157-80.7-80.7000110.4
44S30.4Very low33.9Very low98 Ų98159.3 Ų159.369%0.68578%0.781SS**  trans-64141.8-169.845.70000113.1F46S44-F46 PolarHBondContact O-N 2.93Å; S44-F46 VanDerWaalsContact O-N 3.12Å
45C27.6Very low34.4Very low125 Ų125158.9 Ų158.985%0.84577%0.773SS**  trans-69.9100.3176.8-176.70000110.2
46F29.7Very low34.6Very low174 Ų174156.2 Ų156.276%0.76376%0.761SS**  trans-99.8113.7160.1-97.5-86.1000109.1S44 W48S44-F46 PolarHBondContact O-N 2.93Å; S44-F46 VanDerWaalsContact O-N 3.12Å; F46-W48 PolarHBondContact O-N 2.95Å
47R36.4Very low35Very low216 Ų216159 Ų15982%0.81577%0.771SS**  trans-71.988.4-177.4-152.8178.593.7-1467.6109.6
48W28.9Very low35.3Very low205 Ų205156 Ų15678%0.77776%0.76SS**  trans-96.588.9167.1-85.758.2000108.9F46 H50F46-W48 PolarHBondContact O-N 2.95Å; W48-H50 AromaticContact CE3-CD2 3.68Å; W48-H50 PolarHBondContact O-N 3.1Å
49T41Very low35.9Very low114 Ų114151.8 Ų151.870%0.69975%0.754SS**  trans-77.477.5162.7480000108.4
50H32.4Very low36.8Very low138 Ų138152.6 Ų152.664%0.63975%0.754SS**  trans-105101.9154.1-85.7-82.6000106.7W48 I52W48-H50 AromaticContact CE3-CD2 3.68Å; W48-H50 PolarHBondContact O-N 3.1Å; H50-I52 PolarHBondContact O-N 2.89Å
51L37.9Very low37.6Very low164 Ų164151.5 Ų151.586%0.85975%0.75SS**  trans-59.288.9161-77.2158.7000107.1T53L51-T53 PolarHBondContact O-N 3.27Å
52I41.2Very low38.8Very low138 Ų138150.5 Ų150.571%0.70875%0.748SS**  trans-78.882.8162.7-56.4177.9000105H50 L54H50-I52 PolarHBondContact O-N 2.89Å; I52-L54 HydrophobicContact CG2-CD1 4.33Å; I52-L54 HydrophobicContact CG2-CG 3.86Å; I52-L54 PolarHBondContact O-N 3.05Å
53T40.7Very low40.3Very low106 Ų106145.8 Ų145.865%0.6573%0.728SS**  trans-66.789.7157.5-430000105.4L51 V55L51-T53 PolarHBondContact O-N 3.27Å; T53-V55 HydrophobicContact CG2-CG2 3.55Å; T53-V55 PolarHBondContact O-N 3.1Å
54L37.9Very low42.3Very low154 Ų154142.4 Ų142.481%0.80672%0.719SS**  trans-67.677.1158-88.4161.9000106I52 H56I52-L54 HydrophobicContact CG2-CD1 4.33Å; I52-L54 HydrophobicContact CG2-CG 3.86Å; I52-L54 PolarHBondContact O-N 3.05Å; L54-H56 VanDerWaalsContact C-N 3.29Å; L54-H56 PolarHBondContact O-N 3.04Å
55V42Very low44.5Very low96 Ų96143.8 Ų143.858%0.58273%0.728SS**  trans-59.7109.2152-171.30000102.5T53 Q57T53-V55 HydrophobicContact CG2-CG2 3.55Å; T53-V55 PolarHBondContact O-N 3.1Å; V55-Q57 HydrophobicContact CG1-CG 4.42Å; V55-Q57 PolarHBondContact O-N 2.95Å
56H37.9Very low46.8Very low137 Ų137147.3 Ų147.363%0.63473%0.729SS**  trans-60.192.3162-160.782.4000104.3L54 Y58L54-H56 VanDerWaalsContact C-N 3.29Å; L54-H56 PolarHBondContact O-N 3.04Å; H56-Y58 HydrophobicContact CB-CE2 4.35Å; H56-Y58 AromaticContact CD2-CD1 3.85Å; H56-Y58 AromaticContact CD2-CD2 3.82Å; H56-Y58 AromaticContact CD2-CE1 3.6Å; H56-Y58 AromaticContact CD2-CE2 3.57Å; H56-Y58 AromaticContact CD2-CG 3.96Å; H56-Y58 AromaticContact CD2-CZ 3.45Å; H56-Y58 VanDerWaalsContact CD2-CZ 3.45Å; H56-Y58 AromaticContact NE2-CE1 3.91Å; H56-Y58 PolarHBondContact O-N 3.34Å
57Q39Very low49.2Very low171 Ų171142.8 Ų142.880%0.79972%0.716SS**  trans-67.283.7171.9-80.1-178.8-14.100104.3V55 S59V55-Q57 HydrophobicContact CG1-CG 4.42Å; V55-Q57 PolarHBondContact O-N 2.95Å; Q57-S59 VanDerWaalsContact C-N 3.31Å; Q57-S59 PolarHBondContact O-N 3.22Å
58Y42.9Very low51.3Low179 Ų179136.6 Ų136.670%0.70270%0.704SS**  trans-51.1111.1155.7-72.1-78.1000104.7H56 T60H56-Y58 HydrophobicContact CB-CE2 4.35Å; H56-Y58 AromaticContact CD2-CD1 3.85Å; H56-Y58 AromaticContact CD2-CD2 3.82Å; H56-Y58 AromaticContact CD2-CE1 3.6Å; H56-Y58 AromaticContact CD2-CE2 3.57Å; H56-Y58 AromaticContact CD2-CG 3.96Å; H56-Y58 AromaticContact CD2-CZ 3.45Å; H56-Y58 VanDerWaalsContact CD2-CZ 3.45Å; H56-Y58 AromaticContact NE2-CE1 3.91Å; H56-Y58 PolarHBondContact O-N 3.34Å; Y58-T60 VanDerWaalsContact C-N 3.33Å; Y58-T60 PolarHBondContact O-N 3.49Å
59S44.8Very low53.9Low93 Ų93137.8 Ų137.865%0.6571%0.708SS**  trans-53.3103.1172.9179.50000106.6Q57 R61Q57-S59 VanDerWaalsContact C-N 3.31Å; Q57-S59 PolarHBondContact O-N 3.22Å; S59-R61 PolarHBondContact O-N 3.06Å
60T51Low55.9Low134 Ų134137.8 Ų137.882%0.82271%0.707SS**  trans-74.825.3176.146.70000111.5Y58 I62Y58-T60 VanDerWaalsContact C-N 3.33Å; Y58-T60 PolarHBondContact O-N 3.49Å; T60-I62 PolarHBondContact O-N 3.34Å
61R53.2Low58.3Low217 Ų217133.9 Ų133.982%0.81970%0.699SS**SBendtrans-89.199.2179.3-64.3-169.1-168.5-1353.1108.4S59S59-R61 PolarHBondContact O-N 3.06Å
62I59.1Low60.4Low155 Ų155131 Ų13180%0.79569%0.688SS**  trans75.973.6170.1-42.5170.4000112.5T60 N64T60-I62 PolarHBondContact O-N 3.34Å; I62-N64 PolarHBondContact O-N 3.41Å
63S64.4Low62.3Low58 Ų58135 Ų13541%0.40669%0.694SS.*  trans-52.8124.3150.8177.20000107.6S65S63-S65 PolarHBondContact O-N 3.18Å
64N69.1Low64.2Low119 Ų119138.1 Ų138.164%0.63670%0.702SS**  trans-46.3132.6167.7-78.9-62.3000108.7I62 K66 V67I62-N64 PolarHBondContact O-N 3.41Å; N64-K66 PolarHBondContact O-N 3.12Å; N64-K66 VanDerWaalsContact O-N 3.11Å; N64-V67 HydrophobicContact CB-CG2 3.96Å; N64-V67 PolarHBondContact O-N 3.06Å
65S76.9Confident66.4Low127 Ų127136.5 Ų136.589%0.88870%0.701SS**THydrogen-bonded Turntrans-58.8-25179.954.50000112.5S63 V67S63-S65 PolarHBondContact O-N 3.18Å; S65-V67 VanDerWaalsContact C-N 3.27Å; S65-V67 PolarHBondContact O-N 2.82Å
66K77.2Confident68.6Low199 Ų199134.3 Ų134.387%0.86569%0.687SS**THydrogen-bonded Turntrans-74.8-9.7175.6-61-172.2176.7-174.50114N64N64-K66 PolarHBondContact O-N 3.12Å; N64-K66 VanDerWaalsContact O-N 3.11Å
67V79Confident71Confident79 Ų79132.6 Ų132.648%0.47968%0.682SS.*SBendtrans-100.7118.5178.3-179.80000108.9N64 S65 R69N64-V67 HydrophobicContact CB-CG2 3.96Å; N64-V67 PolarHBondContact O-N 3.06Å; S65-V67 VanDerWaalsContact C-N 3.27Å; S65-V67 PolarHBondContact O-N 2.82Å; V67-R69 PolarHBondContact O-N 3.27Å
68P81.9Confident73.4Confident86 Ų86130 Ų13056%0.55867%0.67SS**  trans-59.7135.3177.1-22.432.5000111.6V70 T72P68-V70 VanDerWaalsContact C-N 3.26Å; P68-V70 WeakPolarHBondContact CB-O 2.97Å; P68-V70 PolarHBondContact O-N 3.19Å; P68-T72 WeakPolarHBondContact CB-OG1 3.38Å
69R81.9Confident75.6Confident229 Ų229126.7 Ų126.786%0.86467%0.673SS**SBendtrans-75.2-18.5178.6-64.3-173.8179.6-156.70.9113.3V67V67-R69 PolarHBondContact O-N 3.27Å
70V84.4Confident77.6Confident114 Ų114127.2 Ų127.269%0.69167%0.665SS**SBendtrans-134.7145.7179.9-177.90000107.5P68 T72P68-V70 VanDerWaalsContact C-N 3.26Å; P68-V70 WeakPolarHBondContact CB-O 2.97Å; P68-V70 PolarHBondContact O-N 3.19Å; V70-T72 PolarHBondContact O-N 3.12Å; V70-T72 VanDerWaalsContact O-N 3.15Å; V70-T72 PolarHBondContact O-OG1 3.22Å
71A82.3Confident79.5Confident56 Ų56121.8 Ų121.846%0.46363%0.631SS.*  trans-46.5119.6171.800000110.9W73A71-W73 HydrophobicContact CB-CD2 3.93Å; A71-W73 HydrophobicContact CB-CE3 3.81Å; A71-W73 HydrophobicContact CB-CH2 3.22Å; A71-W73 HydrophobicContact CB-CZ2 3.32Å; A71-W73 HydrophobicContact CB-CZ3 3.47Å; A71-W73 VanDerWaalsContact CB-CZ3 3.47Å
72T82.6Confident81.3Confident103 Ų103113.4 Ų113.463%0.63261%0.605SS**  trans-110.74.7-178.3-44.10000111.9P68 V70 E74P68-T72 WeakPolarHBondContact CB-OG1 3.38Å; V70-T72 PolarHBondContact O-N 3.12Å; V70-T72 VanDerWaalsContact O-N 3.15Å; V70-T72 PolarHBondContact O-OG1 3.22Å; T72-E74 PolarHBondContact O-N 3.42Å
73W79.1Confident82.9Confident222 Ų222111.5 Ų111.584%0.84160%0.603SS**  trans-73.5123.8-177.250.385.6000111.5A71A71-W73 HydrophobicContact CB-CD2 3.93Å; A71-W73 HydrophobicContact CB-CE3 3.81Å; A71-W73 HydrophobicContact CB-CH2 3.22Å; A71-W73 HydrophobicContact CB-CZ2 3.32Å; A71-W73 HydrophobicContact CB-CZ3 3.47Å; A71-W73 VanDerWaalsContact CB-CZ3 3.47Å
74E81.8Confident84.1Confident173 Ų173112.9 Ų112.981%0.80861%0.61SS**  trans-112.1141169.7-65.6-174.9175.100109.1T72 V76T72-E74 PolarHBondContact O-N 3.42Å; E74-V76 PolarHBondContact O-N 3.43Å
75P83.7Confident84.9Confident120 Ų120109.8 Ų109.878%0.77960%0.597SS**PPolyproline II helixtrans-67.1133.1176.527.8-32.4000110.2L77P75-L77 PolarHBondContact O-N 3.24Å
76V87.8Confident85.5Confident49 Ų49111.8 Ų111.830%0.29759%0.592SS.*PPolyproline II helixtrans-65.8134.4176.2-175.60000109.8E74 L81 Q121 V124E74-V76 PolarHBondContact O-N 3.43Å; V76-L81 HydrophobicContact CG1-CD2 3.63Å; V76-L81 HydrophobicContact CG1-CG 4.08Å; V76-Q121 HydrophobicContact CB-CG 4.39Å; V76-Q121 HydrophobicContact CG2-CB 4.22Å; V76-Q121 HydrophobicContact CG2-CG 4.29Å; V76-V124 HydrophobicContact CG1-CB 4.31Å; V76-V124 HydrophobicContact CG1-CG1 4.48Å; V76-V124 HydrophobicContact CG1-CG2 3.68Å
77L88.9Confident86.2Confident101 Ų101102.9 Ų102.953%0.52956%0.555SS.*PPolyproline II helixtrans-76.2132.9178.5-62.9179.4000110.7P75 S79 Q80P75-L77 PolarHBondContact O-N 3.24Å; L77-S79 PolarHBondContact O-N 3.43Å; L77-S79 VanDerWaalsContact O-N 3.08Å; L77-Q80 HydrophobicContact CB-CG 4.21Å; L77-Q80 WeakPolarHBondContact O-CB 3.41Å; L77-Q80 PolarHBondContact O-N 2.94Å
78E89.4Confident86.8Confident117 Ų117102.7 Ų102.755%0.54756%0.555SS.*G310 helixtrans-56.2-29.4179.4-17069-172.600112.9Q80 L81 R117E78-Q80 PolarHBondContact O-N 3.27Å; E78-L81 PolarHBondContact O-N 3.15Å; E78-R117 VanDerWaalsContact CD-NH1 3.29Å; E78-R117 IonicContact OE1-CZ 2.83Å; E78-R117 IonicContact OE1-NE 3.94Å; E78-R117 PolarHBondContact OE1-NE 3.16Å; E78-R117 IonicContact OE1-NH1 2.87Å; E78-R117 PolarHBondContact OE1-NH1 2.91Å; E78-R117 IonicContact OE2-CZ 3.03Å; E78-R117 IonicContact OE2-NE 3.38Å; E78-R117 IonicContact OE2-NH1 2.82Å
79S88.3Confident87.1Confident109 Ų109102 Ų10276%0.76255%0.549SS*.G310 helixtrans-69.4-17.6177.857.30000114.6L77L77-S79 PolarHBondContact O-N 3.43Å; L77-S79 VanDerWaalsContact O-N 3.08Å
80Q88.3Confident87.5Confident104 Ų10496.6 Ų96.649%0.48654%0.537SS..G310 helixtrans-92.8-14.9178.1-62.1174.3-1.500112L77 E78 V124L77-Q80 HydrophobicContact CB-CG 4.21Å; L77-Q80 WeakPolarHBondContact O-CB 3.41Å; L77-Q80 PolarHBondContact O-N 2.94Å; E78-Q80 PolarHBondContact O-N 3.27Å; Q80-V124 HydrophobicContact CB-CG2 4.01Å
81L90.4Very high87.9Confident21 Ų2194.6 Ų94.611%0.1152%0.522CS..SBendtrans-83.9152.7-177.3-61.7179.3000111.1V76 E78 R117 D120 Q121 V124V76-L81 HydrophobicContact CG1-CD2 3.63Å; V76-L81 HydrophobicContact CG1-CG 4.08Å; E78-L81 PolarHBondContact O-N 3.15Å; L81-R117 VanDerWaalsContact CB-NH2 3.25Å; L81-D120 HydrophobicContact CD2-CB 4.5Å; L81-Q121 HydrophobicContact CD2-CG 4.22Å; L81-V124 HydrophobicContact CD2-CG2 4.08Å
82P91.2Very high88.3Confident41 Ų4192.3 Ų92.327%0.26650%0.503SS..PPolyproline II helixtrans-58.6158.9168.327-35.8000111.3R117 D120P82-R117 PolarHBondContact O-NH1 2.88Å; P82-R117 PolarHBondContact O-NH2 3.13Å; P82-R117 VanDerWaalsContact O-NH2 3.13Å; P82-D120 HydrophobicContact CG-CB 3.79Å
83P91.8Very high88.5Confident115 Ų11588.8 Ų88.875%0.74748%0.48SS*.PPolyproline II helixtrans-53.8141.4174.6-24.533.6000111.3C85P83-C85 PolarHBondContact O-N 3.09Å
84P89.3Confident89.1Confident86 Ų8683.8 Ų83.856%0.55846%0.464SS*.PPolyproline II helixtrans-52.8128.2177.3-26.834.1000111.9Q86P84-Q86 PolarHBondContact O-N 3.36Å
85C86.8Confident89.7Confident54 Ų5478.5 Ų78.537%0.36544%0.441SS..PPolyproline II helixtrans-71.4124.3178.1-173.60000110.3P83 I116P83-C85 PolarHBondContact O-N 3.09Å; C85-I116 HydrophobicContact CB-CG2 3.73Å
86Q89.9Confident89.9Confident170 Ų17072.9 Ų72.979%0.79440%0.404SS*.PPolyproline II helixtrans-98.4118.2161.8-66.4-17612.900107.7P84 P88P84-Q86 PolarHBondContact O-N 3.36Å; Q86-P88 VanDerWaalsContact O-CD 3.31Å; Q86-P88 WeakPolarHBondContact O-CD 3.26Å
87V90.8Very high89.9Confident12 Ų1277.8 Ų77.87%0.07342%0.418CS..  trans-81.6115.4-175.1-176.50000108.8L91 V92 L109 L112 E113 I116V87-L91 HydrophobicContact CG1-CB 4.22Å; V87-L91 HydrophobicContact CG1-CD2 3.99Å; V87-L91 HydrophobicContact CG1-CG 4.12Å; V87-V92 HydrophobicContact CB-CG2 4.44Å; V87-V92 HydrophobicContact CG1-CG2 3.66Å; V87-L109 HydrophobicContact CB-CD1 3.93Å; V87-L109 HydrophobicContact CG1-CD1 4.46Å; V87-L112 HydrophobicContact CG1-CD2 4.12Å; V87-L112 HydrophobicContact CG2-CD2 4.09Å; V87-L112 HydrophobicContact CG2-CG 4.33Å; V87-E113 HydrophobicContact CG2-CG 4.03Å; V87-I116 HydrophobicContact CG2-CD1 3.79Å
88P92Very high90Very high74 Ų7478.7 Ų78.748%0.48142%0.422SS..  trans-67.8148.5179.927.8-33.1000110.5Q86 D90 L91 V92Q86-P88 VanDerWaalsContact O-CD 3.31Å; Q86-P88 WeakPolarHBondContact O-CD 3.26Å; P88-D90 PolarHBondContact O-N 3.4Å; P88-L91 HydrophobicContact CG-CB 3.74Å; P88-L91 HydrophobicContact CG-CD2 4.46Å; P88-L91 WeakPolarHBondContact O-CA 3.46Å; P88-L91 WeakPolarHBondContact O-CB 3.31Å; P88-L91 PolarHBondContact O-N 3.41Å; P88-V92 PolarHBondContact O-N 3.18Å; P88-V92 VanDerWaalsContact O-N 3.14Å
89V88.6Confident90.1Very high73 Ų7376 Ų7644%0.44242%0.42SS..Hα-helixtrans-56.3-39.6-176.3-177.20000112L91 V92 D93V89-L91 PolarHBondContact O-N 3.2Å; V89-V92 WeakPolarHBondContact O-CB 3.19Å; V89-V92 PolarHBondContact O-N 3.28Å; V89-V92 VanDerWaalsContact O-N 3.14Å; V89-D93 PolarHBondContact O-N 3.32Å; V89-D93 VanDerWaalsContact O-OD1 3.11Å
90D90.6Very high90Very high115 Ų11577.8 Ų77.862%0.61542%0.42SS*.Hα-helixtrans-65.3-28.4179.5-57.4-23.9000112.6P88 K94 R182P88-D90 PolarHBondContact O-N 3.4Å; D90-K94 PolarHBondContact O-N 3.41Å; D90-K94 VanDerWaalsContact O-N 3.15Å; D90-R182 IonicContact OD1-NH1 3.42Å; D90-R182 PolarHBondContact OD1-NH1 2.84Å
91L92.4Very high90Very high71 Ų7176.8 Ų76.837%0.37242%0.421SS..Hα-helixtrans-74.6-41.3173.8179.658.3000111V87 P88 V89 D93 K94 L95V87-L91 HydrophobicContact CG1-CB 4.22Å; V87-L91 HydrophobicContact CG1-CD2 3.99Å; V87-L91 HydrophobicContact CG1-CG 4.12Å; P88-L91 HydrophobicContact CG-CB 3.74Å; P88-L91 HydrophobicContact CG-CD2 4.46Å; P88-L91 WeakPolarHBondContact O-CA 3.46Å; P88-L91 WeakPolarHBondContact O-CB 3.31Å; P88-L91 PolarHBondContact O-N 3.41Å; V89-L91 PolarHBondContact O-N 3.2Å; L91-D93 VanDerWaalsContact C-N 3.26Å; L91-D93 PolarHBondContact O-N 3.39Å; L91-K94 PolarHBondContact O-N 3.19Å; L91-L95 HydrophobicContact CD1-CD1 4.39Å; L91-L95 HydrophobicContact CD1-CG 4.18Å; L91-L95 HydrophobicContact CG-CD1 4.08Å; L91-L95 HydrophobicContact CG-CG 4.35Å; L91-L95 WeakPolarHBondContact O-CB 3.34Å; L91-L95 VanDerWaalsContact O-CG 3.27Å; L91-L95 WeakPolarHBondContact O-CG 3.39Å; L91-L95 PolarHBondContact O-N 2.83Å
92V91.4Very high89.7Confident9 Ų980.2 Ų80.26%0.05544%0.44CS..Hα-helixtrans-55.2-47.7171.7179.50000109.7V87 P88 V89 K94 L95 E96 F103 R104 L109V87-V92 HydrophobicContact CB-CG2 4.44Å; V87-V92 HydrophobicContact CG1-CG2 3.66Å; P88-V92 PolarHBondContact O-N 3.18Å; P88-V92 VanDerWaalsContact O-N 3.14Å; V89-V92 WeakPolarHBondContact O-CB 3.19Å; V89-V92 PolarHBondContact O-N 3.28Å; V89-V92 VanDerWaalsContact O-N 3.14Å; V92-K94 VanDerWaalsContact C-N 3.28Å; V92-K94 PolarHBondContact O-N 3.14Å; V92-L95 PolarHBondContact O-N 2.87Å; V92-L95 VanDerWaalsContact O-N 3.13Å; V92-E96 HydrophobicContact CG1-CG 4.49Å; V92-E96 WeakPolarHBondContact O-CG 3.47Å; V92-E96 PolarHBondContact O-N 3.38Å; V92-F103 HydrophobicContact CG1-CD2 4.33Å; V92-F103 HydrophobicContact CG1-CE2 3.78Å; V92-F103 HydrophobicContact CG1-CZ 4.17Å; V92-R104 HydrophobicContact CG1-CG 3.74Å; V92-L109 HydrophobicContact CG2-CD1 3.93Å
93D87Confident89.4Confident28 Ų2880.1 Ų80.115%0.1544%0.435CS..Hα-helixtrans-58-41.1179.1-77.528.4000113.1V89 L91 R97 R104V89-D93 PolarHBondContact O-N 3.32Å; V89-D93 VanDerWaalsContact O-OD1 3.11Å; L91-D93 VanDerWaalsContact C-N 3.26Å; L91-D93 PolarHBondContact O-N 3.39Å; D93-R97 PolarHBondContact O-N 3.3Å; D93-R104 IonicContact OD1-CZ 3.72Å; D93-R104 IonicContact OD1-NE 3.29Å; D93-R104 PolarHBondContact OD1-NE 2.81Å; D93-R104 IonicContact OD1-NH1 3.98Å; D93-R104 PolarHBondContact OD1-NH1 2.95Å; D93-R104 IonicContact OD1-NH2 3.18Å; D93-R104 PolarHBondContact OD1-NH2 3.35Å; D93-R104 IonicContact OD2-CZ 3.12Å; D93-R104 VanDerWaalsContact OD2-CZ 3.31Å; D93-R104 IonicContact OD2-NH1 2.63Å; D93-R104 PolarHBondContact OD2-NH1 3.42Å; D93-R104 IonicContact OD2-NH2 2.84Å; D93-R104 PolarHBondContact OD2-NH2 3.42Å
94K91.5Very high88.9Confident118 Ų11878.3 Ų78.351%0.51341%0.413SS..Hα-helixtrans-68.7-42.8177.3-173.8178.2178.7-176.70111.6D90 L91 V92 R97 L98D90-K94 PolarHBondContact O-N 3.41Å; D90-K94 VanDerWaalsContact O-N 3.15Å; L91-K94 PolarHBondContact O-N 3.19Å; V92-K94 VanDerWaalsContact C-N 3.28Å; V92-K94 PolarHBondContact O-N 3.14Å; K94-R97 PolarHBondContact O-N 2.92Å; K94-L98 HydrophobicContact CG-CD1 4.23Å; K94-L98 WeakPolarHBondContact O-CG 3.46Å; K94-L98 PolarHBondContact O-N 3.03Å; K94-L98 VanDerWaalsContact O-N 3.09Å
95L92.8Very high88.9Confident61 Ų6178.3 Ų78.332%0.31941%0.408SS..Hα-helixtrans-64.8-44.3-178.9-74.5173.5000111.6L91 V92 R97 L98 A99 F103 L112L91-L95 HydrophobicContact CD1-CD1 4.39Å; L91-L95 HydrophobicContact CD1-CG 4.18Å; L91-L95 HydrophobicContact CG-CD1 4.08Å; L91-L95 HydrophobicContact CG-CG 4.35Å; L91-L95 WeakPolarHBondContact O-CB 3.34Å; L91-L95 VanDerWaalsContact O-CG 3.27Å; L91-L95 WeakPolarHBondContact O-CG 3.39Å; L91-L95 PolarHBondContact O-N 2.83Å; V92-L95 PolarHBondContact O-N 2.87Å; V92-L95 VanDerWaalsContact O-N 3.13Å; L95-R97 VanDerWaalsContact C-N 3.31Å; L95-R97 PolarHBondContact O-N 3.36Å; L95-L98 PolarHBondContact O-N 3.14Å; L95-A99 VanDerWaalsContact O-CB 3.3Å; L95-A99 WeakPolarHBondContact O-CB 3.37Å; L95-A99 PolarHBondContact O-N 3.42Å; L95-F103 HydrophobicContact CB-CE1 4.13Å; L95-F103 HydrophobicContact CB-CZ 3.66Å; L95-F103 HydrophobicContact CD1-CZ 4.36Å; L95-L112 HydrophobicContact CD1-CD2 3.98Å
96E89.6Confident89Confident2 Ų284 Ų841%0.00943%0.43CS..Hα-helixtrans-58.4-43.6174.6-73.8-170159.300112.8V92 L98 A99 L100 V101 F103 R104 R185V92-E96 HydrophobicContact CG1-CG 4.49Å; V92-E96 WeakPolarHBondContact O-CG 3.47Å; V92-E96 PolarHBondContact O-N 3.38Å; E96-L98 VanDerWaalsContact C-N 3.28Å; E96-L98 PolarHBondContact O-N 2.79Å; E96-A99 PolarHBondContact O-N 3.34Å; E96-L100 WeakPolarHBondContact O-CA 3.32Å; E96-L100 PolarHBondContact O-N 2.84Å; E96-V101 VanDerWaalsContact CA-O 3.27Å; E96-V101 WeakPolarHBondContact CA-O 3.36Å; E96-V101 WeakPolarHBondContact CB-O 3.48Å; E96-V101 WeakPolarHBondContact CG-O 3.27Å; E96-V101 PolarHBondContact O-N 2.63Å; E96-F103 HydrophobicContact CB-CE1 4.17Å; E96-F103 HydrophobicContact CG-CD1 3.52Å; E96-F103 HydrophobicContact CG-CE1 3.36Å; E96-F103 HydrophobicContact CG-CG 4.27Å; E96-F103 HydrophobicContact CG-CZ 3.97Å; E96-F103 PolarHBondContact OE1-N 2.88Å; E96-R104 VanDerWaalsContact CD-NE 3.27Å; E96-R104 WeakPolarHBondContact OE1-CB 3.41Å; E96-R104 WeakPolarHBondContact OE1-CG 3.46Å; E96-R104 PolarHBondContact OE1-N 2.93Å; E96-R104 IonicContact OE1-NE 3.55Å; E96-R104 PolarHBondContact OE1-NE 3.42Å; E96-R104 IonicContact OE2-CZ 3.74Å; E96-R104 IonicContact OE2-NE 2.63Å; E96-R104 PolarHBondContact OE2-NE 3.46Å; E96-R104 IonicContact OE2-NH2 3.31Å; E96-R104 PolarHBondContact OE2-NH2 3.19Å; E96-R185 IonicContact OE2-CZ 3.77Å; E96-R185 IonicContact OE2-NH1 3.14Å; E96-R185 PolarHBondContact OE2-NH1 3.44Å
97R87.6Confident89.1Confident153 Ų15383.8 Ų83.858%0.57743%0.429SS*.Hα-helixtrans-64.7-35.3179.4-174.8178.267135.82.8112D93 K94 L95 L100 L179D93-R97 PolarHBondContact O-N 3.3Å; K94-R97 PolarHBondContact O-N 2.92Å; L95-R97 VanDerWaalsContact C-N 3.31Å; L95-R97 PolarHBondContact O-N 3.36Å; R97-L100 WeakPolarHBondContact O-CD2 3.14Å; R97-L179 HydrophobicContact CB-CD1 4.02Å; R97-L179 HydrophobicContact CG-CD1 4.05Å
98L91Very high89.1Confident119 Ų11984 Ų8462%0.62343%0.434SS*.Hα-helixtrans-76.7-40.4177.5-70173.1000112K94 L95 E96 L100K94-L98 HydrophobicContact CG-CD1 4.23Å; K94-L98 WeakPolarHBondContact O-CG 3.46Å; K94-L98 PolarHBondContact O-N 3.03Å; K94-L98 VanDerWaalsContact O-N 3.09Å; L95-L98 PolarHBondContact O-N 3.14Å; E96-L98 VanDerWaalsContact C-N 3.28Å; E96-L98 PolarHBondContact O-N 2.79Å; L98-L100 VanDerWaalsContact C-N 3.33Å
99A90.8Very high89.1Confident60 Ų6083.1 Ų83.150%0.49643%0.425SS..Hα-helixtrans-79.4-17-179.200000113.2L95 E96 V101L95-A99 VanDerWaalsContact O-CB 3.3Å; L95-A99 WeakPolarHBondContact O-CB 3.37Å; L95-A99 PolarHBondContact O-N 3.42Å; E96-A99 PolarHBondContact O-N 3.34Å; A99-V101 HydrophobicContact CB-CB 4.33Å; A99-V101 HydrophobicContact CB-CG2 4.36Å; A99-V101 PolarHBondContact O-N 3.42Å
100L87.4Confident89.4Confident148 Ų14881.3 Ų81.378%0.77542%0.417SS*.THydrogen-bonded Turntrans56.837.3-170.1-53.2176.1000112.3E96 R97 L98E96-L100 WeakPolarHBondContact O-CA 3.32Å; E96-L100 PolarHBondContact O-N 2.84Å; R97-L100 WeakPolarHBondContact O-CD2 3.14Å; L98-L100 VanDerWaalsContact C-N 3.33Å
101V87.4Confident89.5Confident82 Ų8279.8 Ų79.850%0.49741%0.414SS..  trans-128.9141.5-179.8176.30000109E96 A99 F103E96-V101 VanDerWaalsContact CA-O 3.27Å; E96-V101 WeakPolarHBondContact CA-O 3.36Å; E96-V101 WeakPolarHBondContact CB-O 3.48Å; E96-V101 WeakPolarHBondContact CG-O 3.27Å; E96-V101 PolarHBondContact O-N 2.63Å; A99-V101 HydrophobicContact CB-CB 4.33Å; A99-V101 HydrophobicContact CB-CG2 4.36Å; A99-V101 PolarHBondContact O-N 3.42Å; V101-F103 HydrophobicContact CG1-CD1 4.37Å
102D84.6Confident89.6Confident94 Ų9478.4 Ų78.450%0.50341%0.407SS..  trans-93.8117.8169.2-173.5-5.8000109.1R104D102-R104 PolarHBondContact OD1-N 2.92Å
103F84.1Confident89.8Confident39 Ų3981.1 Ų81.117%0.17142%0.419CS..  trans-139.718.9179.668.2-93000113V92 L95 E96 V101 N105 L112V92-F103 HydrophobicContact CG1-CD2 4.33Å; V92-F103 HydrophobicContact CG1-CE2 3.78Å; V92-F103 HydrophobicContact CG1-CZ 4.17Å; L95-F103 HydrophobicContact CB-CE1 4.13Å; L95-F103 HydrophobicContact CB-CZ 3.66Å; L95-F103 HydrophobicContact CD1-CZ 4.36Å; E96-F103 HydrophobicContact CB-CE1 4.17Å; E96-F103 HydrophobicContact CG-CD1 3.52Å; E96-F103 HydrophobicContact CG-CE1 3.36Å; E96-F103 HydrophobicContact CG-CG 4.27Å; E96-F103 HydrophobicContact CG-CZ 3.97Å; E96-F103 PolarHBondContact OE1-N 2.88Å; V101-F103 HydrophobicContact CG1-CD1 4.37Å; F103-N105 PolarHBondContact O-N 2.92Å; F103-L112 HydrophobicContact CE2-CD2 3.97Å
104R82.4Confident90.2Very high76 Ų7687 Ų8729%0.28744%0.444SS..  trans-65.428.8173.2-92.7178.4-126.5-143.2-12.4114.8V92 D93 E96 D102 R185V92-R104 HydrophobicContact CG1-CG 3.74Å; D93-R104 IonicContact OD1-CZ 3.72Å; D93-R104 IonicContact OD1-NE 3.29Å; D93-R104 PolarHBondContact OD1-NE 2.81Å; D93-R104 IonicContact OD1-NH1 3.98Å; D93-R104 PolarHBondContact OD1-NH1 2.95Å; D93-R104 IonicContact OD1-NH2 3.18Å; D93-R104 PolarHBondContact OD1-NH2 3.35Å; D93-R104 IonicContact OD2-CZ 3.12Å; D93-R104 VanDerWaalsContact OD2-CZ 3.31Å; D93-R104 IonicContact OD2-NH1 2.63Å; D93-R104 PolarHBondContact OD2-NH1 3.42Å; D93-R104 IonicContact OD2-NH2 2.84Å; D93-R104 PolarHBondContact OD2-NH2 3.42Å; E96-R104 VanDerWaalsContact CD-NE 3.27Å; E96-R104 WeakPolarHBondContact OE1-CB 3.41Å; E96-R104 WeakPolarHBondContact OE1-CG 3.46Å; E96-R104 PolarHBondContact OE1-N 2.93Å; E96-R104 IonicContact OE1-NE 3.55Å; E96-R104 PolarHBondContact OE1-NE 3.42Å; E96-R104 IonicContact OE2-CZ 3.74Å; E96-R104 IonicContact OE2-NE 2.63Å; E96-R104 PolarHBondContact OE2-NE 3.46Å; E96-R104 IonicContact OE2-NH2 3.31Å; E96-R104 PolarHBondContact OE2-NH2 3.19Å; D102-R104 PolarHBondContact OD1-N 2.92Å; R104-R185 VanDerWaalsContact CZ-CZ 3.43Å
105N87.4Confident90.4Very high86 Ų8683.9 Ų83.946%0.4644%0.44SS..SBendtrans-102.1159.5171.76345000110.4F103 E107 G108 L109F103-N105 PolarHBondContact O-N 2.92Å; N105-E107 PolarHBondContact O-N 3.36Å; N105-E107 PolarHBondContact OD1-N 3.4Å; N105-G108 PolarHBondContact O-N 3.01Å; N105-G108 WeakPolarHBondContact OD1-CA 3.32Å; N105-G108 PolarHBondContact OD1-N 3.07Å; N105-L109 PolarHBondContact O-N 3.29Å; N105-L109 VanDerWaalsContact O-N 3.07Å
106Q89Confident90.6Very high175 Ų17583.2 Ų83.282%0.81844%0.436SS*.Hα-helixtrans-61.1-34.8-176.1-173.2177.1-2.100112.3A110Q106-A110 VanDerWaalsContact O-CB 3.29Å; Q106-A110 WeakPolarHBondContact O-CB 3.44Å; Q106-A110 PolarHBondContact O-N 3.28Å
107E92.1Very high90.8Very high164 Ų16485.3 Ų85.377%0.76644%0.444SS*.Hα-helixtrans-68.9-42.6179.5-63.4-176.717300112.3N105 A110 C111N105-E107 PolarHBondContact O-N 3.36Å; N105-E107 PolarHBondContact OD1-N 3.4Å; E107-A110 PolarHBondContact O-N 3.48Å; E107-C111 VanDerWaalsContact O-CB 3.26Å; E107-C111 WeakPolarHBondContact O-CB 3.44Å; E107-C111 PolarHBondContact O-N 3.4Å
108G90.8Very high91.1Very high17 Ų1785.1 Ų85.118%0.17545%0.448CS..Hα-helixtrans-66.6-41.9178.700000111.6N105 C111 L112N105-G108 PolarHBondContact O-N 3.01Å; N105-G108 WeakPolarHBondContact OD1-CA 3.32Å; N105-G108 PolarHBondContact OD1-N 3.07Å; G108-C111 PolarHBondContact O-N 3.3Å; G108-L112 WeakPolarHBondContact O-CB 3.19Å; G108-L112 PolarHBondContact O-N 3.29Å
109L93.4Very high91.4Very high56 Ų5681.7 Ų81.729%0.29344%0.437SS..Hα-helixtrans-63.6-47.3173.2-172.661.2000111.5V87 V92 N105 C111 L112 E113V87-L109 HydrophobicContact CB-CD1 3.93Å; V87-L109 HydrophobicContact CG1-CD1 4.46Å; V92-L109 HydrophobicContact CG2-CD1 3.93Å; N105-L109 PolarHBondContact O-N 3.29Å; N105-L109 VanDerWaalsContact O-N 3.07Å; L109-C111 VanDerWaalsContact C-N 3.27Å; L109-C111 PolarHBondContact O-N 2.7Å; L109-L112 PolarHBondContact O-N 3.47Å; L109-E113 WeakPolarHBondContact O-CG 3.27Å; L109-E113 PolarHBondContact O-N 3.35Å
110A93.4Very high91.6Very high35 Ų3579.6 Ų79.629%0.28942%0.417SS..Hα-helixtrans-63-35.1177.200000112.3Q106 E107 K114Q106-A110 VanDerWaalsContact O-CB 3.29Å; Q106-A110 WeakPolarHBondContact O-CB 3.44Å; Q106-A110 PolarHBondContact O-N 3.28Å; E107-A110 PolarHBondContact O-N 3.48Å; A110-K114 WeakPolarHBondContact O-CB 3.16Å; A110-K114 WeakPolarHBondContact O-CD 3.38Å; A110-K114 WeakPolarHBondContact O-CG 3.3Å; A110-K114 PolarHBondContact O-N 3.43Å; A110-K114 VanDerWaalsContact O-N 3.08Å
111C94.1Very high91.8Very high82 Ų8276.2 Ų76.255%0.55440%0.397SS*.Hα-helixtrans-65.2-46.2174.2-172.30000111.1E107 G108 L109 K114 A115E107-C111 VanDerWaalsContact O-CB 3.26Å; E107-C111 WeakPolarHBondContact O-CB 3.44Å; E107-C111 PolarHBondContact O-N 3.4Å; G108-C111 PolarHBondContact O-N 3.3Å; L109-C111 VanDerWaalsContact C-N 3.27Å; L109-C111 PolarHBondContact O-N 2.7Å; C111-K114 PolarHBondContact O-N 2.99Å; C111-A115 WeakPolarHBondContact O-CB 3.36Å; C111-A115 PolarHBondContact O-N 3.29Å
112L94.8Very high92.1Very high43 Ų4378.3 Ų78.323%0.22541%0.405CS..Hα-helixtrans-60.9-48.1177.3177.960.4000111.7V87 L95 F103 G108 L109 K114 A115 I116V87-L112 HydrophobicContact CG1-CD2 4.12Å; V87-L112 HydrophobicContact CG2-CD2 4.09Å; V87-L112 HydrophobicContact CG2-CG 4.33Å; L95-L112 HydrophobicContact CD1-CD2 3.98Å; F103-L112 HydrophobicContact CE2-CD2 3.97Å; G108-L112 WeakPolarHBondContact O-CB 3.19Å; G108-L112 PolarHBondContact O-N 3.29Å; L109-L112 PolarHBondContact O-N 3.47Å; L112-K114 VanDerWaalsContact C-N 3.33Å; L112-K114 PolarHBondContact O-N 3.01Å; L112-A115 PolarHBondContact O-N 2.84Å; L112-A115 VanDerWaalsContact O-N 3.16Å; L112-I116 HydrophobicContact CD1-CD1 4.12Å; L112-I116 HydrophobicContact CD1-CG1 4.34Å; L112-I116 HydrophobicContact CG-CD1 4.03Å; L112-I116 WeakPolarHBondContact O-CG1 3.31Å; L112-I116 PolarHBondContact O-N 2.95Å
113E95.4Very high92.4Very high66 Ų6680.2 Ų80.231%0.30841%0.411SS..Hα-helixtrans-61.6-40.5178.5-71.6176.2168.300111.9V87 L109 I116 R117V87-E113 HydrophobicContact CG2-CG 4.03Å; L109-E113 WeakPolarHBondContact O-CG 3.27Å; L109-E113 PolarHBondContact O-N 3.35Å; E113-I116 PolarHBondContact O-N 3.29Å; E113-R117 WeakPolarHBondContact O-CB 3.15Å; E113-R117 PolarHBondContact O-N 3.41Å
114K94.8Very high92.8Very high151 Ų15181.2 Ų81.266%0.65742%0.42SS*.Hα-helixtrans-64.9-39.6173.9-74.6170.4-174.7174.80112.4A110 C111 L112 R117 F118A110-K114 WeakPolarHBondContact O-CB 3.16Å; A110-K114 WeakPolarHBondContact O-CD 3.38Å; A110-K114 WeakPolarHBondContact O-CG 3.3Å; A110-K114 PolarHBondContact O-N 3.43Å; A110-K114 VanDerWaalsContact O-N 3.08Å; C111-K114 PolarHBondContact O-N 2.99Å; L112-K114 VanDerWaalsContact C-N 3.33Å; L112-K114 PolarHBondContact O-N 3.01Å; K114-R117 PolarHBondContact O-N 2.91Å; K114-F118 WeakPolarHBondContact O-CB 3.37Å; K114-F118 PolarHBondContact O-N 3.42Å
115A96.1Very high93.2Very high53 Ų5381.6 Ų81.644%0.43843%0.431SS..Hα-helixtrans-65.8-40.9177.100000111.4C111 L112 F118 A119C111-A115 WeakPolarHBondContact O-CB 3.36Å; C111-A115 PolarHBondContact O-N 3.29Å; L112-A115 PolarHBondContact O-N 2.84Å; L112-A115 VanDerWaalsContact O-N 3.16Å; A115-F118 PolarHBondContact O-N 3.05Å; A115-A119 PolarHBondContact O-N 3.23Å
116I95.7Very high93.4Very high47 Ų4783.3 Ų83.324%0.24144%0.44CS..Hα-helixtrans-62.4-48.8173.3-65.7165.9000109.9C85 V87 L112 E113 F118 A119 D120C85-I116 HydrophobicContact CB-CG2 3.73Å; V87-I116 HydrophobicContact CG2-CD1 3.79Å; L112-I116 HydrophobicContact CD1-CD1 4.12Å; L112-I116 HydrophobicContact CD1-CG1 4.34Å; L112-I116 HydrophobicContact CG-CD1 4.03Å; L112-I116 WeakPolarHBondContact O-CG1 3.31Å; L112-I116 PolarHBondContact O-N 2.95Å; E113-I116 PolarHBondContact O-N 3.29Å; I116-F118 PolarHBondContact O-N 3.25Å; I116-A119 CarbonylContact O-C 3.57Å; I116-A119 PolarHBondContact O-N 2.9Å; I116-D120 VanDerWaalsContact O-CG 3.29Å; I116-D120 PolarHBondContact O-N 3.4Å
117R94.4Very high93.7Very high46 Ų4679.4 Ų79.417%0.17443%0.428CS..Hα-helixtrans-56.5-38.3176.1-169.379.7-164.2132.9128.7112.3E78 L81 P82 E113 K114 D120E78-R117 VanDerWaalsContact CD-NH1 3.29Å; E78-R117 IonicContact OE1-CZ 2.83Å; E78-R117 IonicContact OE1-NE 3.94Å; E78-R117 PolarHBondContact OE1-NE 3.16Å; E78-R117 IonicContact OE1-NH1 2.87Å; E78-R117 PolarHBondContact OE1-NH1 2.91Å; E78-R117 IonicContact OE2-CZ 3.03Å; E78-R117 IonicContact OE2-NE 3.38Å; E78-R117 IonicContact OE2-NH1 2.82Å; L81-R117 VanDerWaalsContact CB-NH2 3.25Å; P82-R117 PolarHBondContact O-NH1 2.88Å; P82-R117 PolarHBondContact O-NH2 3.13Å; P82-R117 VanDerWaalsContact O-NH2 3.13Å; E113-R117 WeakPolarHBondContact O-CB 3.15Å; E113-R117 PolarHBondContact O-N 3.41Å; K114-R117 PolarHBondContact O-N 2.91Å; R117-D120 IonicContact NH2-OD2 3.05Å; R117-D120 PolarHBondContact NH2-OD2 3.19Å; R117-D120 WeakPolarHBondContact O-CB 3.42Å; R117-D120 PolarHBondContact O-N 3.36Å
118F94.7Very high93.9Very high148 Ų14878.4 Ų78.465%0.64943%0.428SS*.Hα-helixtrans-66.9-44176.6-178.9-107.8000111.6K114 A115 I116 D120 Q121K114-F118 WeakPolarHBondContact O-CB 3.37Å; K114-F118 PolarHBondContact O-N 3.42Å; A115-F118 PolarHBondContact O-N 3.05Å; I116-F118 PolarHBondContact O-N 3.25Å; F118-D120 VanDerWaalsContact C-N 3.3Å; F118-D120 PolarHBondContact O-N 2.83Å; F118-Q121 WeakPolarHBondContact O-CB 3.44Å; F118-Q121 WeakPolarHBondContact O-CG 3.35Å; F118-Q121 PolarHBondContact O-N 3.5Å
119A96.1Very high94.1Very high48 Ų4881.8 Ų81.840%0.39746%0.463SS..Hα-helixtrans-66.8-29.2176.200000113A115 I116 Q121 L122A115-A119 PolarHBondContact O-N 3.23Å; I116-A119 CarbonylContact O-C 3.57Å; I116-A119 PolarHBondContact O-N 2.9Å; A119-Q121 PolarHBondContact O-N 3.08Å; A119-L122 VanDerWaalsContact O-CB 3.3Å; A119-L122 WeakPolarHBondContact O-CB 3.29Å; A119-L122 WeakPolarHBondContact O-CG 3.49Å; A119-L122 PolarHBondContact O-N 3.31Å
120D95.2Very high94.1Very high16 Ų1683.7 Ų83.79%0.08648%0.477CS..G310 helixtrans-56.8-25.8178.7-74.7-27.6000113L81 P82 I116 R117 F118 L122 H123L81-D120 HydrophobicContact CD2-CB 4.5Å; P82-D120 HydrophobicContact CG-CB 3.79Å; I116-D120 VanDerWaalsContact O-CG 3.29Å; I116-D120 PolarHBondContact O-N 3.4Å; R117-D120 IonicContact NH2-OD2 3.05Å; R117-D120 PolarHBondContact NH2-OD2 3.19Å; R117-D120 WeakPolarHBondContact O-CB 3.42Å; R117-D120 PolarHBondContact O-N 3.36Å; F118-D120 VanDerWaalsContact C-N 3.3Å; F118-D120 PolarHBondContact O-N 2.83Å; D120-L122 PolarHBondContact O-N 2.99Å; D120-L122 VanDerWaalsContact O-N 3.17Å; D120-H123 WeakPolarHBondContact CA-ND1 3.43Å; D120-H123 WeakPolarHBondContact O-CB 3.48Å; D120-H123 PolarHBondContact O-N 2.94Å; D120-H123 PolarHBondContact O-ND1 3.19Å; D120-H123 IonicContact OD1-CE1 2.82Å; D120-H123 IonicContact OD1-ND1 3.42Å
121Q93Very high94Very high76 Ų7689 Ų8936%0.35550%0.5SS..G310 helixtrans-58.8-25.1175.6-63.8176.243.300112.9V76 L81 F118 A119 H123 V124V76-Q121 HydrophobicContact CB-CG 4.39Å; V76-Q121 HydrophobicContact CG2-CB 4.22Å; V76-Q121 HydrophobicContact CG2-CG 4.29Å; L81-Q121 HydrophobicContact CD2-CG 4.22Å; F118-Q121 WeakPolarHBondContact O-CB 3.44Å; F118-Q121 WeakPolarHBondContact O-CG 3.35Å; F118-Q121 PolarHBondContact O-N 3.5Å; A119-Q121 PolarHBondContact O-N 3.08Å; Q121-H123 PolarHBondContact O-N 3.27Å; Q121-V124 PolarHBondContact O-N 3.32Å
122L93.2Very high93.9Very high126 Ų12691 Ų9166%0.6651%0.512SS*.G310 helixtrans-67.3-21176.8-61.4176.8000112.8A119 D120 V124 V125A119-L122 VanDerWaalsContact O-CB 3.3Å; A119-L122 WeakPolarHBondContact O-CB 3.29Å; A119-L122 WeakPolarHBondContact O-CG 3.49Å; A119-L122 PolarHBondContact O-N 3.31Å; D120-L122 PolarHBondContact O-N 2.99Å; D120-L122 VanDerWaalsContact O-N 3.17Å; L122-V124 PolarHBondContact O-N 3.1Å; L122-V125 WeakPolarHBondContact O-CB 3.37Å; L122-V125 PolarHBondContact O-N 3.28Å
123H91.3Very high93.6Very high135 Ų13595.4 Ų95.463%0.62553%0.533SS*.G310 helixtrans-68.9-19.9177.3-65.391.2000113.4D120 Q121 V125D120-H123 WeakPolarHBondContact CA-ND1 3.43Å; D120-H123 WeakPolarHBondContact O-CB 3.48Å; D120-H123 PolarHBondContact O-N 2.94Å; D120-H123 PolarHBondContact O-ND1 3.19Å; D120-H123 IonicContact OD1-CE1 2.82Å; D120-H123 IonicContact OD1-ND1 3.42Å; Q121-H123 PolarHBondContact O-N 3.27Å; H123-V125 VanDerWaalsContact C-N 3.3Å
124V92.1Very high93.2Very high60 Ų6099.8 Ų99.836%0.36456%0.558SS.*G310 helixtrans-81.6-17.1177.4-179.10000111.2V76 Q80 L81 Q121 L122 D126V76-V124 HydrophobicContact CG1-CB 4.31Å; V76-V124 HydrophobicContact CG1-CG1 4.48Å; V76-V124 HydrophobicContact CG1-CG2 3.68Å; Q80-V124 HydrophobicContact CB-CG2 4.01Å; L81-V124 HydrophobicContact CD2-CG2 4.08Å; Q121-V124 PolarHBondContact O-N 3.32Å; L122-V124 PolarHBondContact O-N 3.1Å; V124-D126 PolarHBondContact O-N 3.32Å
125V90.6Very high92.8Very high84 Ų8495 Ų9551%0.50954%0.544SS..SBendtrans-77.1118.8178.6-176.10000108.8L122 H123 T127L122-V125 WeakPolarHBondContact O-CB 3.37Å; L122-V125 PolarHBondContact O-N 3.28Å; H123-V125 VanDerWaalsContact C-N 3.3Å; V125-T127 HydrophobicContact CG1-CG2 4.29Å; V125-T127 PolarHBondContact O-N 3.05Å
126D91.8Very high92.3Very high122 Ų12298.1 Ų98.165%0.65256%0.557SS**  trans-66.7118171.6-176.310.4000109.7V124 D128V124-D126 PolarHBondContact O-N 3.32Å; D126-D128 VanDerWaalsContact OD1-CB 3.28Å; D126-D128 WeakPolarHBondContact OD1-CB 3.37Å; D126-D128 PolarHBondContact OD1-N 3.33Å
127T94.7Very high91.5Very high93 Ų93100.2 Ų100.257%0.57157%0.568SS**  trans-116.213.7177.152.20000111.7V125 G129 V130V125-T127 HydrophobicContact CG1-CG2 4.29Å; V125-T127 PolarHBondContact O-N 3.05Å; T127-G129 PolarHBondContact O-N 3.17Å; T127-V130 WeakPolarHBondContact O-CB 3.4Å; T127-V130 PolarHBondContact O-N 2.95Å; T127-V130 VanDerWaalsContact O-N 3.1Å
128D96.8Very high90.4Very high142 Ų142104.6 Ų104.676%0.75959%0.591SS**THydrogen-bonded Turntrans-61.9124.6178.6-78.9-9.4000111D126 V130D126-D128 VanDerWaalsContact OD1-CB 3.28Å; D126-D128 WeakPolarHBondContact OD1-CB 3.37Å; D126-D128 PolarHBondContact OD1-N 3.33Å; D128-V130 PolarHBondContact O-N 3.05Å
129G95.6Very high89.3Confident88 Ų88107 Ų10791%0.90760%0.604SS**THydrogen-bonded Turntrans70.811.8-178.800000114.8T127T127-G129 PolarHBondContact O-N 3.17Å
130V92.6Very high88.5Confident97 Ų97112 Ų11259%0.58861%0.613SS**PPolyproline II helixtrans-97.5116.8173.3-176.70000109.2T127 D128T127-V130 WeakPolarHBondContact O-CB 3.4Å; T127-V130 PolarHBondContact O-N 2.95Å; T127-V130 VanDerWaalsContact O-N 3.1Å; D128-V130 PolarHBondContact O-N 3.05Å
131D90.9Very high87.9Confident147 Ų147115.1 Ų115.179%0.78664%0.641SS**PPolyproline II helixtrans-68.2137.3174.7-70.9-35.7000110.7M133D131-M133 PolarHBondContact O-N 3.06Å
132P92.6Very high87.6Confident122 Ų122119.3 Ų119.379%0.79267%0.665SS**PPolyproline II helixtrans-59.8132.6176.2-23.533.5000111.9D134P132-D134 PolarHBondContact O-N 3.13Å
133M89.2Confident87.4Confident136 Ų136123 Ų12367%0.6767%0.671SS**PPolyproline II helixtrans-80119.2176.1-174.6177.261.700110.5D131 V136D131-M133 PolarHBondContact O-N 3.06Å; M133-V136 HydrophobicContact CE-CG2 4.42Å; M133-V136 HydrophobicContact SD-CG2 4.13Å
134D86.8Confident87.4Confident158 Ų158124.2 Ų124.285%0.84568%0.682SS**SBendtrans-99.2-29.3174.563.6-13.4000112.6P132P132-D134 PolarHBondContact O-N 3.13Å
135S84.8Confident87.5Confident50 Ų50131.6 Ų131.635%0.3570%0.703SS.*  trans-145.7141.5177.9176.10000110.4L137S135-L137 PolarHBondContact O-N 3.43Å; S135-L137 PolarHBondContact OG-N 3.45Å
136V85.9Confident87.7Confident119 Ų119135.3 Ų135.372%0.72172%0.715SS**SBendtrans-72.5-18.8170.1-177.80000111.2M133 E138M133-V136 HydrophobicContact CE-CG2 4.42Å; M133-V136 HydrophobicContact SD-CG2 4.13Å; V136-E138 VanDerWaalsContact C-N 3.33Å; V136-E138 PolarHBondContact O-N 3.49Å
137L78.7Confident87.9Confident91 Ų91137.8 Ų137.848%0.47673%0.728SS.*SBendtrans-95.164.6-179.7-56.9-178.1000110S135 R140S135-L137 PolarHBondContact O-N 3.43Å; S135-L137 PolarHBondContact OG-N 3.45Å; L137-R140 HydrophobicContact CB-CG 4.41Å
138E71.1Confident87.8Confident138 Ų138136.2 Ų136.265%0.64573%0.725SS**THydrogen-bonded Turntrans-56.1147.7172-63172.6-168.500109.9V136 R140V136-E138 VanDerWaalsContact C-N 3.33Å; V136-E138 PolarHBondContact O-N 3.49Å; E138-R140 VanDerWaalsContact C-N 3.33Å; E138-R140 PolarHBondContact O-N 2.63Å
139E73.2Confident87.5Confident199 Ų199136.3 Ų136.393%0.9373%0.73SS**THydrogen-bonded Turntrans67.717.5172.8-49.4177.5171.200116.9
140R78.3Confident87.1Confident153 Ų153136.5 Ų136.558%0.57772%0.723SS**PPolyproline II helixtrans-99.3136.8173.1-60.7-167.1-174.2-178.3-1.2112L137 E138L137-R140 HydrophobicContact CB-CG 4.41Å; E138-R140 VanDerWaalsContact C-N 3.33Å; E138-R140 PolarHBondContact O-N 2.63Å
141A83.8Confident86.6Confident82 Ų82140.5 Ų140.568%0.67874%0.735SS**PPolyproline II helixtrans-63.1141.8167.900000110.3Y143A141-Y143 PolarHBondContact O-N 3.05Å
142L85.5Confident86.3Confident163 Ų163136.3 Ų136.385%0.85373%0.727SS**PPolyproline II helixtrans-65.8123.8171.7-66.5175.7000109.3L144L142-L144 PolarHBondContact O-N 2.9Å
143Y88.7Confident86.1Confident203 Ų203138.6 Ų138.680%0.79673%0.732SS**PPolyproline II helixtrans-75119175.6-63.8-81.7000109.4A141A141-Y143 PolarHBondContact O-N 3.05Å
144L92.7Very high86.2Confident162 Ų162134.5 Ų134.585%0.84872%0.716SS**PPolyproline II helixtrans-85.8136170.9-59.3-179.2000109L142L142-L144 PolarHBondContact O-N 2.9Å
145R94.2Very high86.5Confident214 Ų214129.6 Ų129.681%0.80870%0.698SS**PPolyproline II helixtrans-74.8139.9167.3-170-176.570.1167.91.1108.5
146E94.2Very high86.8Confident162 Ų162134.2 Ų134.276%0.75771%0.714SS**PPolyproline II helixtrans-59.8144.5170.7-65.5-179.6179.600110.7A148E146-A148 PolarHBondContact O-N 3.09Å
147D95Very high87.2Confident174 Ų174135.2 Ų135.293%0.9371%0.711SS**SBendtrans-80.769.6174.7-171.525.1000110.1
148A93.7Very high87.9Confident61 Ų61135 Ų13550%0.50471%0.71SS.*  trans-129.3145.7179.300000110.3E146 A150E146-A148 PolarHBondContact O-N 3.09Å; A148-A150 PolarHBondContact O-N 3.3Å
149V90.9Very high89Confident144 Ų144129.7 Ų129.787%0.87369%0.685SS**  trans-71.4119.5174.3-1780000108.4
150A85.6Confident90.1Very high91 Ų91127 Ų12775%0.75267%0.673SS**  trans-99.2-54.5-17900000112.5A148A148-A150 PolarHBondContact O-N 3.3Å
151E82.9Confident90.9Very high181 Ų181126.6 Ų126.685%0.84668%0.682SS**  trans-137.7148.5-176.1-77.3171.7178.300110.3
152G84.9Confident91.4Very high59 Ų59124.6 Ų124.661%0.60866%0.663SS**  trans-161.3174.4177.400000110.2C154G152-C154 VanDerWaalsContact C-N 3.26Å; G152-C154 PolarHBondContact O-N 3.38Å
153D87.6Confident91.7Very high171 Ų171126.2 Ų126.291%0.91466%0.663SS**  trans60.826.1176.4-153.327.1000115.7A155D153-A155 VanDerWaalsContact C-N 3.34Å
154C91.7Very high91.9Very high49 Ų49121.2 Ų121.233%0.33165%0.65SS.*  trans-93.919.4177.958.80000113.7G152 E156 E157 L158G152-C154 VanDerWaalsContact C-N 3.26Å; G152-C154 PolarHBondContact O-N 3.38Å; C154-E156 VanDerWaalsContact C-N 3.34Å; C154-E156 PolarHBondContact O-N 3.34Å; C154-E157 PolarHBondContact O-N 3.38Å; C154-L158 WeakPolarHBondContact O-CG 3.5Å; C154-L158 PolarHBondContact O-N 3.11Å
155A92.3Very high92Very high55 Ų55116.6 Ų116.646%0.45563%0.628SS.*Hα-helixtrans-59.7-43.8-174.200000112.2D153 L158 L159D153-A155 VanDerWaalsContact C-N 3.34Å; A155-L158 PolarHBondContact O-N 3.3Å; A155-L159 WeakPolarHBondContact O-CB 3.17Å; A155-L159 WeakPolarHBondContact O-CD1 3.4Å; A155-L159 WeakPolarHBondContact O-CG 3.45Å; A155-L159 PolarHBondContact O-N 3.35Å
156E92.4Very high91.9Very high147 Ų147110.5 Ų110.569%0.68762%0.615SS**Hα-helixtrans-61.8-47.2180-170.6176.6-178.100111.6C154 L158 L159 Q160C154-E156 VanDerWaalsContact C-N 3.34Å; C154-E156 PolarHBondContact O-N 3.34Å; E156-L158 PolarHBondContact O-N 2.95Å; E156-L159 PolarHBondContact O-N 3.5Å; E156-Q160 VanDerWaalsContact O-CG 3.31Å; E156-Q160 WeakPolarHBondContact O-CG 3.26Å; E156-Q160 PolarHBondContact O-N 3.08Å; E156-Q160 VanDerWaalsContact O-N 3.12Å
157E93.9Very high91.8Very high141 Ų141110.8 Ų110.866%0.65962%0.616SS**Hα-helixtrans-62.4-41.7179.3-62.7-177.1-175.500111.9C154C154-E157 PolarHBondContact O-N 3.38Å
158L93.6Very high91.7Very high86 Ų86110.3 Ų110.345%0.4561%0.608SS.*Hα-helixtrans-69.9-39.5179.2-68.3176.9000112.5C154 A155 E156 Q160 L161C154-L158 WeakPolarHBondContact O-CG 3.5Å; C154-L158 PolarHBondContact O-N 3.11Å; A155-L158 PolarHBondContact O-N 3.3Å; E156-L158 PolarHBondContact O-N 2.95Å; L158-Q160 VanDerWaalsContact C-N 3.33Å; L158-Q160 PolarHBondContact O-N 2.91Å; L158-L161 HydrophobicContact CD2-CD1 4.49Å; L158-L161 WeakPolarHBondContact O-CB 3.28Å; L158-L161 PolarHBondContact O-N 3.46Å
159L94.9Very high91.6Very high26 Ų26115.5 Ų115.514%0.13662%0.616CS.*Hα-helixtrans-69.3-31.6-179.7-73.1168.6000112.2A155 E156 L161 S162 T165 E168 F170A155-L159 WeakPolarHBondContact O-CB 3.17Å; A155-L159 WeakPolarHBondContact O-CD1 3.4Å; A155-L159 WeakPolarHBondContact O-CG 3.45Å; A155-L159 PolarHBondContact O-N 3.35Å; E156-L159 PolarHBondContact O-N 3.5Å; L159-L161 PolarHBondContact O-N 3.11Å; L159-S162 PolarHBondContact O-N 3.37Å; L159-S162 VanDerWaalsContact O-N 3.1Å; L159-T165 HydrophobicContact CB-CG2 4.23Å; L159-T165 HydrophobicContact CD2-CG2 3.77Å; L159-E168 HydrophobicContact CD1-CB 3.95Å; L159-E168 HydrophobicContact CD1-CG 4.46Å; L159-F170 HydrophobicContact CD2-CD1 4.23Å; L159-F170 HydrophobicContact CD2-CE1 3.97Å; L159-F170 HydrophobicContact CD2-CE2 4.31Å; L159-F170 HydrophobicContact CD2-CZ 4.01Å
160Q95.1Very high91.8Very high142 Ų142115 Ų11566%0.66460%0.602SS**Hα-helixtrans-61.5-22.8173.4-74.6176.914.900113.3E156 L158 S162E156-Q160 VanDerWaalsContact O-CG 3.31Å; E156-Q160 WeakPolarHBondContact O-CG 3.26Å; E156-Q160 PolarHBondContact O-N 3.08Å; E156-Q160 VanDerWaalsContact O-N 3.12Å; L158-Q160 VanDerWaalsContact C-N 3.33Å; L158-Q160 PolarHBondContact O-N 2.91Å; Q160-S162 VanDerWaalsContact C-N 3.29Å
161L95.1Very high92.1Very high146 Ų146114 Ų11476%0.76459%0.587SS**THydrogen-bonded Turntrans-76.6-16.4176.9-58.3175.8000113L158 L159L158-L161 HydrophobicContact CD2-CD1 4.49Å; L158-L161 WeakPolarHBondContact O-CB 3.28Å; L158-L161 PolarHBondContact O-N 3.46Å; L159-L161 PolarHBondContact O-N 3.11Å
162S94.1Very high92.5Very high40 Ų40109.1 Ų109.128%0.2858%0.577SS.*SBendtrans-85.7146.1-178.6-177.80000112.2L159 Q160 N164L159-S162 PolarHBondContact O-N 3.37Å; L159-S162 VanDerWaalsContact O-N 3.1Å; Q160-S162 VanDerWaalsContact C-N 3.29Å; S162-N164 PolarHBondContact OG-N 3.15Å; S162-N164 PolarHBondContact OG-O 3.46Å
163K92.4Very high92.4Very high197 Ų197111.6 Ų111.686%0.85758%0.582SS**SBendtrans-67.6-38.6173-175.6177.7179.3-179.20112.4
164N91.8Very high92.1Very high97 Ų97108.6 Ų108.652%0.51957%0.573SS.*  trans-134.6133.5-177.5-62-35.9000109.3S162S162-N164 PolarHBondContact OG-N 3.15Å; S162-N164 PolarHBondContact OG-O 3.46Å
165T94.8Very high91Very high66 Ų66110 Ų11041%0.40560%0.595SS.*EExtended strand (participates in β ladder)trans-140.3150.5173.855.70000108.6L159 Y169L159-T165 HydrophobicContact CB-CG2 4.23Å; L159-T165 HydrophobicContact CD2-CG2 3.77Å; T165-Y169 VanDerWaalsContact CA-O 3.26Å; T165-Y169 WeakPolarHBondContact CA-O 3.3Å
166V93.8Very high89.3Confident85 Ų85114.6 Ų114.652%0.51561%0.612SS.*EExtended strand (participates in β ladder)trans-140125174.1169.60000107.2E168 Y169 V171V166-E168 VanDerWaalsContact C-N 3.27Å; V166-E168 PolarHBondContact O-N 3.26Å; V166-Y169 PolarHBondContact N-O 2.98Å; V166-Y169 WeakPolarHBondContact O-CB 3.4Å; V166-Y169 PolarHBondContact O-N 3.45Å; V166-V171 HydrophobicContact CB-CG2 3.62Å; V166-V171 HydrophobicContact CG2-CG2 3.59Å
167E90.6Very high87.8Confident168 Ų168113.9 Ų113.979%0.78561%0.612SS**THydrogen-bonded Turntrans47.946.6175-61.6-179.1177.500113.3Y169E167-Y169 HydrophobicContact CB-CD2 4.39Å; E167-Y169 WeakPolarHBondContact O-CD2 3.5Å; E167-Y169 WeakPolarHBondContact O-CE2 3.45Å; E167-Y169 PolarHBondContact O-N 3.3Å
168E93Very high86.3Confident164 Ų164112.3 Ų112.377%0.76661%0.613SS**THydrogen-bonded Turntrans69.912.3-179.5-50.1-178.9150.100115.7L159 V166L159-E168 HydrophobicContact CD1-CB 3.95Å; L159-E168 HydrophobicContact CD1-CG 4.46Å; V166-E168 VanDerWaalsContact C-N 3.27Å; V166-E168 PolarHBondContact O-N 3.26Å
169Y93.1Very high84.9Confident170 Ų170112 Ų11267%0.66761%0.612SS**EExtended strand (participates in β ladder)trans-107.4147.5173.7-60.4-83.9000112.3T165 V166 E167T165-Y169 VanDerWaalsContact CA-O 3.26Å; T165-Y169 WeakPolarHBondContact CA-O 3.3Å; V166-Y169 PolarHBondContact N-O 2.98Å; V166-Y169 WeakPolarHBondContact O-CB 3.4Å; V166-Y169 PolarHBondContact O-N 3.45Å; E167-Y169 HydrophobicContact CB-CD2 4.39Å; E167-Y169 WeakPolarHBondContact O-CD2 3.5Å; E167-Y169 WeakPolarHBondContact O-CE2 3.45Å; E167-Y169 PolarHBondContact O-N 3.3Å
170F93.9Very high83.6Confident134 Ų134112.8 Ų112.859%0.58862%0.619SS**EExtended strand (participates in β ladder)trans-69.4130.8162.6-62-72.6000109.6L159L159-F170 HydrophobicContact CD2-CD1 4.23Å; L159-F170 HydrophobicContact CD2-CE1 3.97Å; L159-F170 HydrophobicContact CD2-CE2 4.31Å; L159-F170 HydrophobicContact CD2-CZ 4.01Å
171V92.8Very high82.4Confident71 Ų71112.8 Ų112.843%0.4362%0.616SS.*PPolyproline II helixtrans-101.9119.2179.2-176.70000109.7V166V166-V171 HydrophobicContact CB-CG2 3.62Å; V166-V171 HydrophobicContact CG2-CG2 3.59Å
172A89.8Confident81.1Confident78 Ų78111 Ų11165%0.64560%0.599SS**PPolyproline II helixtrans-103.7146.8164.800000109.4
173P84.3Confident80.2Confident110 Ų110115.5 Ų115.571%0.71462%0.616SS**SBendtrans-52.9156161.4-21.433.1000110.2G175P173-G175 PolarHBondContact O-N 3.15Å
174P80.8Confident79.2Confident109 Ų109111 Ų11171%0.70860%0.598SS**  trans-52.2102.8-179.920.4-32.3000110.9N176P174-N176 PolarHBondContact O-N 3.46Å
175G68.2Low78.2Confident78 Ų78108 Ų10880%0.80458%0.579SS**SBendtrans-93.670.9-167.800000111.4P173P173-G175 PolarHBondContact O-N 3.15Å
176N57.9Low76.9Confident152 Ų152107.9 Ų107.981%0.81358%0.581SS**  trans-165.937.6158.9-157.523.5000110.4P174 P178P174-N176 PolarHBondContact O-N 3.46Å; N176-P178 WeakPolarHBondContact O-CD 3.48Å
177I60.5Low75.8Confident132 Ų132105.9 Ų105.968%0.67757%0.574SS**PPolyproline II helixtrans-83.7117.1174-56173.7000105.8L179I177-L179 PolarHBondContact O-N 3.3Å
178P61.7Low74.7Confident107 Ų107103.8 Ų103.870%0.69557%0.565SS**PPolyproline II helixtrans-52.1135.7173.5-20.330.7000108.7N176N176-P178 WeakPolarHBondContact O-CD 3.48Å
179L64.1Low73Confident81 Ų81101.6 Ų101.642%0.42455%0.554SS.*PPolyproline II helixtrans-50.9133.9169-72.2177.3000107.8R97 I177 K181R97-L179 HydrophobicContact CB-CD1 4.02Å; R97-L179 HydrophobicContact CG-CD1 4.05Å; I177-L179 PolarHBondContact O-N 3.3Å; L179-K181 PolarHBondContact O-N 3.17Å
180P68.5Low71.4Confident42 Ų42100.9 Ų100.927%0.27355%0.554SS.*PPolyproline II helixtrans-53.4137.8-177.26.2-13000109.3E184 R185 M188P180-E184 WeakPolarHBondContact CA-OE2 3.44Å; P180-E184 HydrophobicContact CB-CB 3.86Å; P180-R185 HydrophobicContact CB-CG 3.93Å; P180-R185 HydrophobicContact CG-CG 3.74Å; P180-R185 PolarHBondContact O-NE 3.44Å; P180-R185 PolarHBondContact O-NH2 2.79Å; P180-M188 HydrophobicContact CG-SD 4.38Å
181K70.4Confident69.4Low141 Ų141101.8 Ų101.861%0.61356%0.56SS**PPolyproline II helixtrans-59160.1-178.3-66.1-178.8-177.7173.80109.5L179 E183 E184 R185L179-K181 PolarHBondContact O-N 3.17Å; K181-E183 PolarHBondContact O-N 3.17Å; K181-E183 VanDerWaalsContact O-N 3.1Å; K181-E184 HydrophobicContact CB-CG 4.37Å; K181-E184 PolarHBondContact N-OE2 3.04Å; K181-E184 WeakPolarHBondContact O-CB 3.41Å; K181-E184 PolarHBondContact O-N 3.17Å; K181-R185 PolarHBondContact O-N 3.23Å
182R67.4Low67.3Low109 Ų109102.6 Ų102.641%0.41157%0.568SS.*Hα-helixtrans-49.9-42.1-176.6-179.9176171.8177.7-3.1111.7D90 S186D90-R182 IonicContact OD1-NH1 3.42Å; D90-R182 PolarHBondContact OD1-NH1 2.84Å; R182-S186 PolarHBondContact O-N 2.95Å; R182-S186 PolarHBondContact O-OG 2.82Å; R182-S186 VanDerWaalsContact O-OG 3.12Å
183E74Confident65.2Low135 Ų135106.9 Ų106.963%0.63158%0.575SS**Hα-helixtrans-66.6-41.1179.5-57.672.6-153.600112.3K181 A187K181-E183 PolarHBondContact O-N 3.17Å; K181-E183 VanDerWaalsContact O-N 3.1Å; E183-A187 PolarHBondContact O-N 2.91Å; E183-A187 VanDerWaalsContact O-N 3.1Å
184E72.6Confident63.1Low102 Ų102114.2 Ų114.248%0.47760%0.596SS.*Hα-helixtrans-69.1-42.3179.7-65.2165.3-175.100110.9P180 K181 A187 M188P180-E184 WeakPolarHBondContact CA-OE2 3.44Å; P180-E184 HydrophobicContact CB-CB 3.86Å; K181-E184 HydrophobicContact CB-CG 4.37Å; K181-E184 PolarHBondContact N-OE2 3.04Å; K181-E184 WeakPolarHBondContact O-CB 3.41Å; K181-E184 PolarHBondContact O-N 3.17Å; E184-A187 PolarHBondContact O-N 2.77Å; E184-M188 WeakPolarHBondContact O-CG 3.46Å; E184-M188 PolarHBondContact O-N 2.71Å
185R69.8Low62.2Low34 Ų34114.5 Ų114.513%0.12859%0.591CS.*Hα-helixtrans-63-46.4174.3-86.5-170.2-92.7178.5-4112.2E96 R104 P180 K181 A187 M188 F189E96-R185 IonicContact OE2-CZ 3.77Å; E96-R185 IonicContact OE2-NH1 3.14Å; E96-R185 PolarHBondContact OE2-NH1 3.44Å; R104-R185 VanDerWaalsContact CZ-CZ 3.43Å; P180-R185 HydrophobicContact CB-CG 3.93Å; P180-R185 HydrophobicContact CG-CG 3.74Å; P180-R185 PolarHBondContact O-NE 3.44Å; P180-R185 PolarHBondContact O-NH2 2.79Å; K181-R185 PolarHBondContact O-N 3.23Å; R185-A187 PolarHBondContact O-N 2.91Å; R185-M188 PolarHBondContact O-N 3.46Å; R185-M188 VanDerWaalsContact O-N 3.12Å; R185-F189 WeakPolarHBondContact O-CD2 3.44Å; R185-F189 PolarHBondContact O-N 3.47Å
186S68.4Low61.9Low64 Ų64116.4 Ų116.445%0.44858%0.579SS.*Hα-helixtrans-62.1-28.2176.9-64.20000113.2R182 K190R182-S186 PolarHBondContact O-N 2.95Å; R182-S186 PolarHBondContact O-OG 2.82Å; R182-S186 VanDerWaalsContact O-OG 3.12Å; S186-K190 WeakPolarHBondContact O-CG 3.4Å
187A71Confident62.1Low43 Ų43114.4 Ų114.436%0.35557%0.566SS.*Hα-helixtrans-73.5-40.3172.700000112.1E183 E184 R185 F189 K190 H191E183-A187 PolarHBondContact O-N 2.91Å; E183-A187 VanDerWaalsContact O-N 3.1Å; E184-A187 PolarHBondContact O-N 2.77Å; R185-A187 PolarHBondContact O-N 2.91Å; A187-F189 PolarHBondContact O-N 3Å; A187-K190 PolarHBondContact O-N 3.19Å; A187-H191 PolarHBondContact O-CD2 3.04Å
188M65.8Low62.2Low123 Ų123113.4 Ų113.461%0.60656%0.56SS**Hα-helixtrans-61.1-41177.8-69177.175.300112.7P180 E184 R185 K190 H191P180-M188 HydrophobicContact CG-SD 4.38Å; E184-M188 WeakPolarHBondContact O-CG 3.46Å; E184-M188 PolarHBondContact O-N 2.71Å; R185-M188 PolarHBondContact O-N 3.46Å; R185-M188 VanDerWaalsContact O-N 3.12Å; M188-K190 VanDerWaalsContact C-N 3.32Å; M188-K190 PolarHBondContact O-N 3.03Å; M188-H191 PolarHBondContact O-N 2.84Å
189F58.1Low62.2Low119 Ų119113.8 Ų113.852%0.52255%0.552SS.*Hα-helixtrans-67.7-27.1177.6-73.3-71.5000113.7R185 A187 H191 S192R185-F189 WeakPolarHBondContact O-CD2 3.44Å; R185-F189 PolarHBondContact O-N 3.47Å; A187-F189 PolarHBondContact O-N 3Å; F189-H191 VanDerWaalsContact C-N 3.27Å; F189-H191 PolarHBondContact O-N 3.12Å; F189-S192 PolarHBondContact O-OG 2.99Å
190K59.6Low62.1Low154 Ų154115.9 Ų115.967%0.6756%0.56SS**Hα-helixtrans-71.7-21.2175.1-72.1178.3-179.1-177.70113.4S186 A187 M188S186-K190 WeakPolarHBondContact O-CG 3.4Å; A187-K190 PolarHBondContact O-N 3.19Å; M188-K190 VanDerWaalsContact C-N 3.32Å; M188-K190 PolarHBondContact O-N 3.03Å
191H52.6Low61.6Low153 Ų153121.2 Ų121.271%0.70858%0.581SS**THydrogen-bonded Turntrans-94.1-5-178.4-66.3-56.5000113.6A187 M188 F189A187-H191 PolarHBondContact O-CD2 3.04Å; M188-H191 PolarHBondContact O-N 2.84Å; F189-H191 VanDerWaalsContact C-N 3.27Å; F189-H191 PolarHBondContact O-N 3.12Å
192S48.3Very low60.9Low88 Ų88119.7 Ų119.762%0.61558%0.578SS**SBendtrans-97.23.3176.379.50000114.2F189 F194F189-S192 PolarHBondContact O-OG 2.99Å; S192-F194 VanDerWaalsContact C-N 3.32Å
193E44.8Very low60.4Low169 Ų169120.6 Ų120.679%0.7959%0.592SS**  trans-91.622.8175.4-75.6-169.7152.700113.6
194F40Very low59.2Low263 Ų263119.3 Ų119.3100%1.15459%0.588SS**  trans-122.60171.9-82.1-84.1000112.3S192S192-F194 VanDerWaalsContact C-N 3.32Å

Retrieved 194 of 194 residues in 815.3 ms (Link to these results)